#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dxj n LYS 3 N 0.00 0.44 -4.41 1.64 2.85 -1.26 -5.19 118.16 112.23 3dxj n LYS 3 Ca 0.00 0.00 -0.20 0.00 -1.05 0.00 0.00 58.31 57.06 3dxj n LYS 3 Cb 0.00 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.28 3dxj n LYS 3 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 3dxj s GLU 4 N -1.87 1.60 0.43 -1.58 -1.05 -1.26 -5.17 118.70 109.80 3dxj s GLU 4 Ca 0.00 -1.89 0.07 0.00 -0.15 0.00 0.00 54.97 53.00 3dxj s GLU 4 Cb 0.00 -0.63 -0.03 0.00 -0.44 0.00 0.00 34.13 33.03 3dxj s GLU 4 CO 0.00 -0.26 0.28 0.54 0.95 0.00 0.00 175.26 176.78 3dxj s VAL 5 N -3.45 2.38 0.00 1.83 0.11 -1.26 -5.07 120.40 114.94 3dxj s VAL 5 Ca 0.36 -1.53 0.00 0.00 -2.93 0.00 0.00 61.98 57.88 3dxj s VAL 5 Cb 0.08 -2.91 0.00 0.00 -1.53 0.00 0.00 36.38 32.02 3dxj s VAL 5 CO 0.15 0.00 0.13 0.54 -3.33 0.00 0.00 175.10 172.59 3dxj n ARG 6 N -1.42 0.00 -3.65 1.54 1.74 -1.26 -5.12 116.66 108.49 3dxj n ARG 6 Ca 0.01 -0.13 -0.06 0.00 -0.77 0.00 0.00 57.85 56.90 3dxj n ARG 6 Cb 0.63 -0.14 -0.07 0.00 -1.02 0.00 0.00 32.46 31.86 3dxj n ARG 6 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3dxj s LYS 7 N 0.00 0.61 -0.04 5.56 1.02 -1.26 -4.19 119.74 121.44 3dxj s LYS 7 Ca 0.00 1.22 0.01 0.00 0.02 0.00 0.00 55.97 57.22 3dxj s LYS 7 Cb 0.00 0.31 -0.03 0.00 -0.52 0.00 0.00 37.83 37.59 3dxj s LYS 7 CO 0.00 -0.17 -0.02 0.08 -0.92 0.00 0.00 175.35 174.32 3dxj s VAL 8 N 1.98 4.02 0.28 3.17 1.01 -0.48 -4.93 120.40 125.46 3dxj s VAL 8 Ca -0.08 -0.49 0.11 0.00 0.00 0.00 0.00 61.98 61.51 3dxj s VAL 8 Cb -0.08 -2.72 -0.05 0.00 0.00 0.00 0.00 36.38 33.53 3dxj s VAL 8 CO -0.18 0.50 -0.10 -0.60 0.00 0.00 0.00 175.10 174.71 3dxj s ARG 9 N -1.17 1.96 -0.25 2.72 3.52 -1.26 0.67 118.95 125.14 3dxj s ARG 9 Ca 0.16 -1.63 -0.02 0.00 -0.13 0.00 0.00 55.73 54.10 3dxj s ARG 9 Cb -0.11 -1.94 0.14 0.00 -1.56 0.00 0.00 34.95 31.48 3dxj s ARG 9 CO 0.05 0.32 0.39 -1.50 -0.81 0.00 0.00 175.30 173.76 3dxj s ILE 10 N -2.44 -0.62 0.09 4.11 2.07 -1.08 -4.99 121.20 118.33 3dxj s ILE 10 Ca 0.31 -0.10 0.01 0.00 -1.41 0.00 0.00 60.65 59.47 3dxj s ILE 10 Cb -0.05 -0.84 -0.04 0.00 0.13 0.00 0.00 42.46 41.66 3dxj s ILE 10 CO 0.17 -0.14 -0.06 0.00 -1.91 0.00 0.00 174.94 173.00 3dxj s ALA 11 N 2.55 0.90 1.45 1.50 0.00 -1.26 -3.28 121.76 123.62 3dxj s ALA 11 Ca 0.13 -1.29 -0.23 0.00 0.00 0.00 0.00 51.96 50.56 3dxj s ALA 11 Cb -0.15 0.16 0.37 0.00 0.00 0.00 0.00 23.12 23.50 3dxj s ALA 11 CO -0.18 -0.23 0.82 1.28 0.00 0.00 0.00 175.76 177.46 3dxj n LEU 12 N 0.09 0.00 -4.23 0.00 4.77 -1.26 -4.99 117.00 111.39 3dxj n LEU 12 Ca -0.13 -0.83 -0.34 0.00 -0.03 0.00 0.00 56.01 54.67 3dxj n LEU 12 Cb 0.60 -0.96 -0.15 0.00 -2.33 0.00 0.00 43.42 40.58 3dxj n LEU 12 CO 0.29 -2.81 -0.45 0.00 -1.33 0.00 0.00 177.39 173.09 3dxj s ALA 13 N -2.10 2.58 0.15 -1.18 0.00 -1.26 -5.08 121.76 114.87 3dxj s ALA 13 Ca 0.64 -1.18 -0.31 0.00 0.00 0.00 0.00 51.96 51.11 3dxj s ALA 13 Cb -0.11 -1.44 -0.10 0.00 0.00 0.00 0.00 23.12 21.47 3dxj s ALA 13 CO 0.53 -0.35 1.61 -1.12 0.00 0.00 0.00 175.76 176.43 3dxj s SER 14 N 1.33 6.56 0.48 0.00 0.01 -1.26 -4.69 113.70 116.13 3dxj s SER 14 Ca 0.04 2.62 0.26 0.00 1.31 0.00 0.00 55.95 60.19 3dxj s SER 14 Cb -0.14 -2.59 1.32 0.00 0.21 0.00 0.00 66.02 64.82 3dxj s SER 14 CO -0.07 -0.86 1.83 -0.65 0.41 0.00 0.00 173.24 173.91 3dxj h PRO 15 N 7.16 0.18 0.88 12.44 0.11 -1.94 4.38 132.00 155.21 3dxj h PRO 15 Ca -0.43 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.63 3dxj h PRO 15 Cb 1.20 -0.04 0.01 0.00 0.11 0.00 0.00 31.00 32.28 3dxj h PRO 15 CO 0.92 0.12 -0.43 0.93 -0.21 0.00 0.00 178.00 179.34 3dxj h GLU 16 N 0.18 -1.15 -0.42 1.05 3.07 -1.97 0.95 114.58 116.30 3dxj h GLU 16 Ca 0.51 0.08 0.08 0.00 -0.50 0.00 0.00 59.36 59.53 3dxj h GLU 16 Cb 1.67 0.26 -0.08 0.00 -0.84 0.00 0.00 28.75 29.76 3dxj h GLU 16 CO -0.12 -0.76 -0.11 -0.22 -1.40 0.00 0.00 179.01 176.41 3dxj h LYS 17 N -1.23 -0.00 -0.12 2.33 3.64 0.11 2.28 116.57 123.57 3dxj h LYS 17 Ca -0.12 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.28 3dxj h LYS 17 Cb 0.92 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.70 3dxj h LYS 17 CO 0.20 -0.00 -0.30 0.82 -2.27 0.00 0.00 179.45 177.89 3dxj h ILE 18 N -0.00 0.00 -0.22 2.00 2.04 0.85 0.70 117.51 122.87 3dxj h ILE 18 Ca 0.20 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.13 3dxj h ILE 18 Cb 0.31 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.38 3dxj h ILE 18 CO -0.43 0.00 0.31 0.03 0.00 0.00 0.00 178.15 178.06 3dxj h ARG 19 N -0.29 0.00 0.00 2.37 3.08 0.30 0.76 114.38 120.60 3dxj h ARG 19 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3dxj h ARG 19 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.41 3dxj h ARG 19 CO -0.27 0.00 0.00 -1.13 -1.07 0.00 0.00 179.97 177.50 3dxj n SER 20 N -3.53 0.00 -0.09 7.04 3.41 0.75 -3.56 113.62 117.65 3dxj n SER 20 Ca 0.03 0.34 -0.13 0.00 -0.26 0.00 0.00 58.87 58.85 3dxj n SER 20 Cb 0.44 -0.43 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 3dxj n SER 20 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3dxj n TRP 21 N -1.43 0.00 -1.37 7.33 8.01 0.26 -4.99 117.44 125.25 3dxj n TRP 21 Ca 0.06 0.00 -0.57 0.00 -1.31 0.00 0.00 57.50 55.68 3dxj n TRP 21 Cb 0.19 -0.56 -0.09 0.00 -2.01 0.00 0.00 31.31 28.84 3dxj n TRP 21 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.69 175.55 3dxj n SER 22 N -4.26 0.91 -1.72 -0.99 3.41 -1.05 -4.71 113.62 105.21 3dxj n SER 22 Ca -0.22 0.88 -0.12 0.00 -0.26 0.00 0.00 58.87 59.14 3dxj n SER 22 Cb 0.56 -0.78 0.04 0.00 -0.26 0.00 0.00 64.21 63.77 3dxj n SER 22 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3dxj n TYR 23 N 4.71 1.24 0.00 7.33 4.02 0.50 -4.88 117.16 130.08 3dxj n TYR 23 Ca 0.35 -1.56 0.00 0.00 -0.01 0.00 0.00 57.90 56.68 3dxj n TYR 23 Cb -0.05 -0.77 0.00 0.00 -0.02 0.00 0.00 39.34 38.51 3dxj n TYR 23 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3dxj n GLY 24 N 0.35 2.13 3.09 2.72 0.00 -1.26 -4.54 105.19 107.69 3dxj n GLY 24 Ca 0.24 -1.96 -0.27 0.00 0.00 0.00 0.00 46.02 44.04 3dxj n GLY 24 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3dxj s GLU 25 N -1.57 2.02 0.01 1.61 2.12 -1.26 -1.39 118.70 120.24 3dxj s GLU 25 Ca 0.00 -0.56 -0.30 0.00 0.36 0.00 0.00 54.97 54.47 3dxj s GLU 25 Cb 0.00 -1.64 -0.04 0.00 0.26 0.00 0.00 34.13 32.71 3dxj s GLU 25 CO 0.00 0.11 1.15 0.08 -0.54 0.00 0.00 175.26 176.06 3dxj s VAL 26 N 0.45 4.28 0.00 3.70 1.01 0.26 -4.84 120.40 125.26 3dxj s VAL 26 Ca -0.13 1.63 0.00 0.00 0.00 0.00 0.00 61.98 63.47 3dxj s VAL 26 Cb -0.15 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.18 3dxj s VAL 26 CO 0.05 0.08 0.00 -0.62 0.00 0.00 0.00 175.10 174.61 3dxj n GLU 27 N 4.35 2.54 -4.82 2.72 1.02 -1.13 -4.59 120.64 120.74 3dxj n GLU 27 Ca 0.09 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.90 3dxj n GLU 27 Cb 0.47 -0.97 -0.14 0.00 -0.02 0.00 0.00 31.44 30.78 3dxj n GLU 27 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3dxj s LYS 28 N -1.92 3.12 0.14 3.49 -0.14 0.09 -4.99 119.74 119.52 3dxj s LYS 28 Ca 0.00 -0.69 -0.16 0.00 -1.36 0.00 0.00 55.97 53.75 3dxj s LYS 28 Cb 0.00 -2.55 -0.00 0.00 -1.68 0.00 0.00 37.83 33.60 3dxj s LYS 28 CO 0.00 0.34 1.75 -1.35 -0.76 0.00 0.00 175.35 175.33 3dxj h PRO 29 N 6.29 0.53 -1.95 -1.68 0.11 -1.93 -3.19 132.00 130.17 3dxj h PRO 29 Ca -0.32 -0.06 -0.28 0.00 0.11 0.00 0.00 66.00 65.45 3dxj h PRO 29 Cb 1.20 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3dxj h PRO 29 CO 0.54 0.42 0.25 0.39 -0.21 0.00 0.00 178.00 179.39 3dxj n GLU 30 N -4.75 0.00 0.00 1.05 4.71 -1.26 -4.21 120.64 116.18 3dxj n GLU 30 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 3dxj n GLU 30 Cb 0.07 -0.49 0.00 0.00 -1.01 0.00 0.00 31.44 30.01 3dxj n GLU 30 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 3dxj n THR 31 N 1.39 0.00 -4.39 2.62 -2.24 -1.26 -1.85 114.28 108.55 3dxj n THR 31 Ca 0.11 0.04 -0.20 0.00 -2.27 0.00 0.00 64.05 61.74 3dxj n THR 31 Cb -0.02 -0.13 -0.14 0.00 -2.10 0.00 0.00 70.33 67.94 3dxj n THR 31 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3dxj s ILE 32 N 0.00 0.96 0.15 2.28 1.01 -1.26 -1.49 121.20 122.85 3dxj s ILE 32 Ca 0.00 -0.76 -0.31 0.00 0.00 0.00 0.00 60.65 59.58 3dxj s ILE 32 Cb 0.00 -0.85 -0.08 0.00 0.01 0.00 0.00 42.46 41.54 3dxj s ILE 32 CO 0.00 0.09 1.32 0.21 0.00 0.00 0.00 174.94 176.56 3dxj s ASN 33 N -0.77 6.91 0.09 3.58 3.84 0.27 -4.69 114.94 124.16 3dxj s ASN 33 Ca 0.02 2.31 -0.07 0.00 0.21 0.00 0.00 52.86 55.33 3dxj s ASN 33 Cb -0.06 -2.60 -0.23 0.00 -0.55 0.00 0.00 41.25 37.81 3dxj s ASN 33 CO 0.00 -0.56 1.17 0.10 -2.79 0.00 0.00 177.10 175.03 3dxj h TYR 34 N 6.08 0.67 -0.41 0.43 -0.00 -1.94 1.88 116.97 123.68 3dxj h TYR 34 Ca -0.43 -0.44 0.05 0.00 0.00 0.00 0.00 58.73 57.91 3dxj h TYR 34 Cb 1.21 -0.05 -0.02 0.00 0.00 0.00 0.00 36.73 37.87 3dxj h TYR 34 CO 0.64 1.30 0.28 0.07 -0.00 0.00 0.00 178.16 180.45 3dxj h ARG 35 N 0.17 0.34 0.00 0.10 0.11 -2.00 -3.17 114.38 109.93 3dxj h ARG 35 Ca -0.14 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 59.92 3dxj h ARG 35 Cb 1.85 -0.08 0.00 0.00 1.11 0.00 0.00 29.97 32.86 3dxj h ARG 35 CO 0.20 0.22 0.00 2.41 0.10 0.00 0.00 179.97 182.91 3dxj n THR 36 N -4.48 0.08 -3.14 0.08 -1.04 -1.24 -5.02 114.28 99.52 3dxj n THR 36 Ca 0.05 -0.26 -0.14 0.00 -2.04 0.00 0.00 64.05 61.66 3dxj n THR 36 Cb 0.23 1.41 0.06 0.00 -1.82 0.00 0.00 70.33 70.21 3dxj n THR 36 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3dxj n LEU 37 N -0.04 -5.46 -4.31 -4.42 4.77 0.62 -4.98 117.00 103.18 3dxj n LEU 37 Ca 0.00 -0.65 -0.34 0.00 -0.03 0.00 0.00 56.01 54.99 3dxj n LEU 37 Cb 0.19 -3.06 -0.15 0.00 -2.33 0.00 0.00 43.42 38.07 3dxj n LEU 37 CO 0.00 0.07 -0.45 -0.54 -1.33 0.00 0.00 177.39 175.14 3dxj s LYS 38 N -4.28 3.31 -0.83 3.23 -0.14 0.10 -4.74 119.74 116.39 3dxj s LYS 38 Ca 0.42 -0.70 -0.23 0.00 -1.36 0.00 0.00 55.97 54.11 3dxj s LYS 38 Cb -0.06 -2.72 -0.20 0.00 -1.68 0.00 0.00 37.83 33.17 3dxj s LYS 38 CO 0.70 0.02 2.43 -2.30 -0.76 0.00 0.00 175.35 175.44 3dxj n PRO 39 N 4.07 0.36 -1.50 -1.68 -0.02 -1.26 0.93 135.00 135.91 3dxj n PRO 39 Ca -0.19 -0.18 -0.52 0.00 -2.02 0.00 0.00 63.50 60.59 3dxj n PRO 39 Cb 0.52 -2.30 -0.05 0.00 -0.02 0.00 0.00 33.50 31.65 3dxj n PRO 39 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3dxj n GLU 40 N 7.91 0.45 -1.74 -0.52 4.07 -0.56 -4.14 120.64 126.12 3dxj n GLU 40 Ca 0.56 0.16 -0.42 0.00 -0.06 0.00 0.00 57.16 57.40 3dxj n GLU 40 Cb 0.27 -1.53 -0.01 0.00 -0.06 0.00 0.00 31.44 30.11 3dxj n GLU 40 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 3dxj n ARG 41 N 1.48 2.51 -0.79 5.31 5.12 -1.26 -0.69 116.66 128.33 3dxj n ARG 41 Ca 0.18 0.89 0.00 0.00 -1.93 0.00 0.00 57.85 56.98 3dxj n ARG 41 Cb 0.19 -2.60 0.00 0.00 -1.16 0.00 0.00 32.46 28.89 3dxj n ARG 41 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 3dxj n ASP 42 N 1.32 -4.24 -1.57 0.55 8.00 -1.26 -4.82 116.55 114.52 3dxj n ASP 42 Ca 0.06 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.56 3dxj n ASP 42 Cb 0.37 -2.95 0.00 0.00 -0.02 0.00 0.00 41.12 38.51 3dxj n ASP 42 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dxj n GLY 43 N 0.39 0.53 0.19 0.44 0.00 0.13 -0.74 105.19 106.13 3dxj n GLY 43 Ca 0.00 -1.83 0.14 0.00 0.00 0.00 0.00 46.02 44.33 3dxj n GLY 43 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3dxj h LEU 44 N 0.00 0.00 -1.41 0.99 3.38 -1.35 -3.22 115.31 113.70 3dxj h LEU 44 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dxj h LEU 44 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3dxj h LEU 44 CO 0.00 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.02 3dxj n PHE 45 N -2.61 0.00 -1.52 1.13 3.01 -1.26 -4.84 117.46 111.37 3dxj n PHE 45 Ca 0.02 -0.13 -0.24 0.00 1.01 0.00 0.00 57.45 58.11 3dxj n PHE 45 Cb 0.31 -0.01 -0.17 0.00 -0.01 0.00 0.00 39.48 39.59 3dxj n PHE 45 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 3dxj n ASP 46 N -0.13 -0.27 0.00 4.37 2.03 -1.20 -4.59 116.55 116.77 3dxj n ASP 46 Ca 0.00 -0.62 0.00 0.00 0.52 0.00 0.00 54.79 54.69 3dxj n ASP 46 Cb 0.11 -0.90 0.00 0.00 -0.72 0.00 0.00 41.12 39.61 3dxj n ASP 46 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 3dxj n GLU 47 N 6.90 0.00 0.11 -0.67 0.28 -1.26 0.86 120.64 126.86 3dxj n GLU 47 Ca 0.61 0.18 -0.00 0.00 -0.16 0.00 0.00 57.16 57.79 3dxj n GLU 47 Cb 0.21 -1.52 0.29 0.00 1.43 0.00 0.00 31.44 31.85 3dxj n GLU 47 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3dxj h ARG 48 N 0.00 0.20 0.00 3.44 3.08 -1.81 0.99 114.38 120.29 3dxj h ARG 48 Ca 0.00 -0.08 -0.07 0.00 0.07 0.00 0.00 59.98 59.90 3dxj h ARG 48 Cb 0.04 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 3dxj h ARG 48 CO 0.00 0.51 -0.50 0.82 -1.07 0.00 0.00 179.97 179.73 3dxj h ILE 49 N 0.18 0.74 0.00 2.04 2.04 0.23 -3.40 117.51 119.34 3dxj h ILE 49 Ca 0.02 -1.71 0.00 0.00 1.00 0.00 0.00 64.86 64.18 3dxj h ILE 49 Cb 0.67 1.55 0.00 0.00 -0.74 0.00 0.00 36.82 38.30 3dxj h ILE 49 CO 0.05 0.25 -0.59 -0.26 0.00 0.00 0.00 178.15 177.60 3dxj h PHE 50 N -1.00 0.00 0.00 1.37 -1.00 -1.57 -3.44 116.94 111.30 3dxj h PHE 50 Ca -0.11 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.67 3dxj h PHE 50 Cb 0.77 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.33 3dxj h PHE 50 CO 0.05 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.16 3dxj n GLY 51 N 1.27 0.98 3.71 -1.45 0.00 0.34 -3.71 105.19 106.33 3dxj n GLY 51 Ca 0.03 -2.27 -0.37 0.00 0.00 0.00 0.00 46.02 43.41 3dxj n GLY 51 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3dxj n PRO 52 N -0.74 1.19 0.00 1.61 -0.02 -1.26 -4.45 135.00 131.33 3dxj n PRO 52 Ca 0.00 0.46 0.11 0.00 -2.02 0.00 0.00 63.50 62.04 3dxj n PRO 52 Cb 0.00 -2.47 -0.10 0.00 -0.02 0.00 0.00 33.50 30.92 3dxj n PRO 52 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3dxj n ILE 53 N -1.69 0.04 -4.05 4.25 5.41 -1.26 -4.16 119.36 117.90 3dxj n ILE 53 Ca 0.14 -0.22 -0.32 0.00 1.00 0.00 0.00 62.75 63.36 3dxj n ILE 53 Cb 0.47 0.47 -0.15 0.00 -0.71 0.00 0.00 39.64 39.72 3dxj n ILE 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 3dxj s LYS 54 N -3.21 2.21 0.07 0.38 1.02 -1.26 -4.76 119.74 114.17 3dxj s LYS 54 Ca 0.02 -1.21 -0.36 0.00 0.02 0.00 0.00 55.97 54.45 3dxj s LYS 54 Cb 0.15 -2.78 -0.19 0.00 -0.52 0.00 0.00 37.83 34.50 3dxj s LYS 54 CO 0.86 -0.53 0.87 -0.25 -0.92 0.00 0.00 175.35 175.39 3dxj n ASP 55 N 4.50 -0.42 -3.36 2.83 8.00 -1.26 -2.46 116.55 124.39 3dxj n ASP 55 Ca -0.14 1.14 -0.14 0.00 0.71 0.00 0.00 54.79 56.35 3dxj n ASP 55 Cb 0.43 -0.92 0.00 0.00 -0.02 0.00 0.00 41.12 40.62 3dxj n ASP 55 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3dxj n TYR 56 N 0.99 -2.66 0.00 1.24 4.02 0.49 -4.76 117.16 116.47 3dxj n TYR 56 Ca 0.19 1.05 0.00 0.00 -0.01 0.00 0.00 57.90 59.14 3dxj n TYR 56 Cb 0.14 -3.39 0.00 0.00 -0.02 0.00 0.00 39.34 36.07 3dxj n TYR 56 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 3dxj n GLU 57 N -1.79 0.00 -0.61 -0.72 2.13 -1.03 -4.41 120.64 114.21 3dxj n GLU 57 Ca -0.12 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.59 3dxj n GLU 57 Cb 0.59 0.00 0.08 0.00 0.27 0.00 0.00 31.44 32.38 3dxj n GLU 57 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3dxj n ALA 59 N -3.45 -0.03 0.00 0.00 0.00 -1.26 -3.74 120.51 112.03 3dxj n ALA 59 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3dxj n ALA 59 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.67 3dxj n ALA 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dxj n GLY 61 N -1.32 1.52 0.29 0.00 0.00 -1.25 -4.86 105.19 99.57 3dxj n GLY 61 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 3dxj n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dxj h LYS 62 N 2.91 0.00 -4.49 1.61 1.79 -1.88 -3.37 116.57 113.13 3dxj h LYS 62 Ca 0.00 0.00 -0.42 0.00 -2.18 0.00 0.00 60.65 58.05 3dxj h LYS 62 Cb 0.00 0.00 -0.31 0.00 -1.58 0.00 0.00 32.23 30.34 3dxj h LYS 62 CO 0.00 0.00 -0.78 0.71 -1.08 0.00 0.00 179.45 178.30 3dxj s TYR 63 N -3.85 0.88 0.00 -1.35 1.51 -1.26 -5.05 117.35 108.24 3dxj s TYR 63 Ca -0.02 -0.22 0.00 0.00 -1.01 0.00 0.00 57.07 55.82 3dxj s TYR 63 Cb 0.06 -0.64 0.00 0.00 -0.11 0.00 0.00 41.96 41.26 3dxj s TYR 63 CO 0.18 -0.10 0.00 1.63 -1.11 0.00 0.00 175.55 176.15 3dxj n LYS 64 N 3.36 0.00 -0.85 -0.62 5.02 -1.26 -1.71 118.16 122.09 3dxj n LYS 64 Ca -0.19 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 55.83 3dxj n LYS 64 Cb 0.54 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.55 3dxj n LYS 64 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 3dxj n ARG 65 N -0.36 0.00 0.00 1.97 3.00 -1.26 -4.12 116.66 115.88 3dxj n ARG 65 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.85 57.86 3dxj n ARG 65 Cb 0.00 -0.66 0.06 0.00 0.00 0.00 0.00 32.46 31.86 3dxj n ARG 65 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 3dxj n GLN 66 N 0.91 0.02 0.00 -0.14 7.27 -1.26 -2.52 117.38 121.66 3dxj n GLN 66 Ca 0.07 0.33 0.00 0.00 0.07 0.00 0.00 57.00 57.47 3dxj n GLN 66 Cb 0.27 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 31.42 3dxj n GLN 66 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 3dxj n ARG 67 N -1.36 0.72 -3.24 3.69 5.12 -1.26 -2.83 116.66 117.50 3dxj n ARG 67 Ca 0.01 0.00 -0.24 0.00 -1.93 0.00 0.00 57.85 55.69 3dxj n ARG 67 Cb 0.02 -1.17 -0.07 0.00 -1.16 0.00 0.00 32.46 30.09 3dxj n ARG 67 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 3dxj n PHE 68 N -0.20 0.93 0.00 -1.55 3.72 -1.05 -5.03 117.46 114.28 3dxj n PHE 68 Ca 0.00 -3.76 0.00 0.00 -0.05 0.00 0.00 57.45 53.64 3dxj n PHE 68 Cb 0.08 -0.42 0.00 0.00 -0.94 0.00 0.00 39.48 38.21 3dxj n PHE 68 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 3dxj n GLU 69 N 1.07 0.00 -2.85 -1.08 0.28 -1.13 -3.84 120.64 113.09 3dxj n GLU 69 Ca 0.24 0.24 -0.12 0.00 -0.16 0.00 0.00 57.16 57.37 3dxj n GLU 69 Cb 0.51 -0.36 0.04 0.00 1.43 0.00 0.00 31.44 33.06 3dxj n GLU 69 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3dxj n GLY 70 N -0.98 1.07 3.34 -1.84 0.00 -1.26 -4.52 105.19 101.01 3dxj n GLY 70 Ca 0.00 -0.35 -0.37 0.00 0.00 0.00 0.00 46.02 45.30 3dxj n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dxj s LYS 71 N -0.12 3.11 0.90 1.61 -0.14 -1.25 -4.83 119.74 119.01 3dxj s LYS 71 Ca 0.29 -0.84 -0.13 0.00 -1.36 0.00 0.00 55.97 53.93 3dxj s LYS 71 Cb 0.27 -3.35 0.04 0.00 -1.68 0.00 0.00 37.83 33.10 3dxj s LYS 71 CO -0.13 -0.43 0.57 0.28 -0.76 0.00 0.00 175.35 174.89 3dxj n VAL 72 N 4.86 0.45 -3.16 3.17 0.31 -1.26 -4.19 118.33 118.51 3dxj n VAL 72 Ca -0.15 -0.20 -0.40 0.00 -0.01 0.00 0.00 64.34 63.58 3dxj n VAL 72 Cb 0.48 -0.73 -0.06 0.00 -0.91 0.00 0.00 33.84 32.62 3dxj n VAL 72 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3dxj n GLU 74 N 4.86 0.77 0.00 0.00 4.71 -1.26 -1.74 120.64 127.97 3dxj n GLU 74 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.12 3dxj n GLU 74 Cb 0.50 -1.41 0.00 0.00 -1.01 0.00 0.00 31.44 29.52 3dxj n GLU 74 CO 0.00 0.00 0.00 -2.13 0.09 0.00 0.00 177.13 175.09 3dxj n ARG 75 N -0.91 0.00 0.01 3.49 0.63 -1.26 -4.80 116.66 113.83 3dxj n ARG 75 Ca 0.15 0.00 0.06 0.00 -0.92 0.00 0.00 57.85 57.14 3dxj n ARG 75 Cb 0.07 0.00 0.25 0.00 0.45 0.00 0.00 32.46 33.23 3dxj n ARG 75 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3dxj n GLY 77 N -0.41 0.42 3.52 0.00 0.00 -0.71 -4.90 105.19 103.10 3dxj n GLY 77 Ca 0.02 -0.11 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 3dxj n GLY 77 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dxj s VAL 78 N -2.84 3.41 1.29 1.61 1.01 -1.26 -4.71 120.40 118.92 3dxj s VAL 78 Ca 0.00 -0.58 -0.21 0.00 0.00 0.00 0.00 61.98 61.19 3dxj s VAL 78 Cb 0.00 -2.38 0.32 0.00 0.00 0.00 0.00 36.38 34.32 3dxj s VAL 78 CO 0.00 0.58 1.06 -0.70 0.00 0.00 0.00 175.10 176.05 3dxj s GLU 79 N -0.60 -1.94 -0.23 2.72 2.12 -1.26 -1.97 118.70 117.54 3dxj s GLU 79 Ca 0.09 -0.10 -0.01 0.00 0.36 0.00 0.00 54.97 55.31 3dxj s GLU 79 Cb -0.11 -1.52 0.06 0.00 0.26 0.00 0.00 34.13 32.82 3dxj s GLU 79 CO 0.02 -4.17 -0.01 0.14 -0.54 0.00 0.00 175.26 170.69 3dxj s VAL 80 N -2.82 1.15 -0.02 3.70 -7.23 -1.26 -4.24 120.40 109.69 3dxj s VAL 80 Ca 0.71 -1.02 -0.28 0.00 -1.81 0.00 0.00 61.98 59.57 3dxj s VAL 80 Cb -0.09 -1.54 0.09 0.00 0.56 0.00 0.00 36.38 35.41 3dxj s VAL 80 CO 0.56 -0.19 1.28 0.42 -0.31 0.00 0.00 175.10 176.87 3dxj s THR 81 N 1.56 0.00 0.12 5.32 -4.23 -1.26 -3.99 115.64 113.16 3dxj s THR 81 Ca -0.03 -0.17 -0.35 0.00 -1.18 0.00 0.00 61.69 59.96 3dxj s THR 81 Cb -0.18 -2.97 -0.16 0.00 1.34 0.00 0.00 72.50 70.53 3dxj s THR 81 CO -0.08 0.00 1.36 0.29 -0.54 0.00 0.00 174.62 175.65 3dxj n LYS 82 N -0.91 1.38 0.26 3.99 4.01 -1.26 0.19 118.16 125.82 3dxj n LYS 82 Ca 0.04 0.50 0.18 0.00 -0.51 0.00 0.00 58.31 58.51 3dxj n LYS 82 Cb 0.58 -2.14 0.82 0.00 -0.51 0.00 0.00 35.03 33.78 3dxj n LYS 82 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 3dxj h SER 83 N 4.63 0.00 -1.05 4.39 4.64 -1.78 -2.92 113.55 121.46 3dxj h SER 83 Ca -0.46 0.00 0.27 0.00 -0.47 0.00 0.00 61.79 61.13 3dxj h SER 83 Cb 1.32 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.31 3dxj h SER 83 CO 0.79 0.00 0.67 -0.29 -0.87 0.00 0.00 176.83 177.12 3dxj h ILE 84 N 0.00 0.50 0.00 0.95 2.10 -1.86 0.12 117.51 119.31 3dxj h ILE 84 Ca 0.00 -0.14 0.00 0.00 1.08 0.00 0.00 64.86 65.80 3dxj h ILE 84 Cb 0.27 0.06 0.00 0.00 -1.09 0.00 0.00 36.82 36.06 3dxj h ILE 84 CO 0.00 0.07 0.21 1.62 -1.08 0.00 0.00 178.15 178.97 3dxj h VAL 85 N 0.40 0.00 0.00 2.19 3.04 -1.84 -1.06 116.25 118.98 3dxj h VAL 85 Ca 0.62 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 66.30 3dxj h VAL 85 Cb 1.54 0.49 -0.00 0.00 -2.01 0.00 0.00 31.29 31.30 3dxj h VAL 85 CO -0.34 0.00 -0.05 -0.09 -1.01 0.00 0.00 177.57 176.09 3dxj h ARG 86 N 0.00 0.00 -0.36 4.17 2.43 -0.84 0.19 114.38 119.97 3dxj h ARG 86 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3dxj h ARG 86 Cb 0.42 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 3dxj h ARG 86 CO 0.00 0.05 0.00 2.89 -1.51 0.00 0.00 179.97 181.40 3dxj n ARG 87 N -3.29 2.27 0.00 0.20 1.85 -0.40 -1.47 116.66 115.82 3dxj n ARG 87 Ca -0.01 -1.92 0.00 0.00 -1.00 0.00 0.00 57.85 54.91 3dxj n ARG 87 Cb 0.21 -1.47 0.00 0.00 -1.05 0.00 0.00 32.46 30.15 3dxj n ARG 87 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 3dxj n TYR 88 N 1.13 0.00 -2.28 2.89 0.53 0.15 -4.61 117.16 114.97 3dxj n TYR 88 Ca 0.18 0.00 -0.39 0.00 -1.02 0.00 0.00 57.90 56.68 3dxj n TYR 88 Cb 0.51 0.00 -0.02 0.00 -1.03 0.00 0.00 39.34 38.80 3dxj n TYR 88 CO 0.00 0.00 0.00 1.03 -1.02 0.00 0.00 176.86 176.87 3dxj s ARG 89 N -1.81 4.11 0.01 -0.72 0.52 0.42 -4.72 118.95 116.76 3dxj s ARG 89 Ca 0.00 1.88 0.08 0.00 -0.52 0.00 0.00 55.73 57.17 3dxj s ARG 89 Cb 0.00 -2.74 -0.03 0.00 0.52 0.00 0.00 34.95 32.70 3dxj s ARG 89 CO 0.00 -0.28 -0.23 -1.64 0.02 0.00 0.00 175.30 173.17 3dxj s MET 90 N -2.20 2.03 0.49 3.54 -1.94 -1.26 -3.40 119.30 116.55 3dxj s MET 90 Ca 0.56 -0.98 0.03 0.00 -1.71 0.00 0.00 55.69 53.58 3dxj s MET 90 Cb -0.32 -2.08 -0.03 0.00 2.01 0.00 0.00 34.83 34.41 3dxj s MET 90 CO 0.40 0.55 0.04 0.20 -0.01 0.00 0.00 175.02 176.20 3dxj s GLY 91 N -1.02 2.83 0.30 -0.03 0.00 -1.18 -0.37 107.32 107.85 3dxj s GLY 91 Ca 0.12 -0.95 0.06 0.00 0.00 0.00 0.00 44.72 43.94 3dxj s GLY 91 CO 0.01 -2.14 0.22 -2.39 0.00 0.00 0.00 173.10 168.80 3dxj n HIS 92 N -1.24 -0.52 -4.36 1.90 1.44 -0.49 -0.68 115.22 111.28 3dxj n HIS 92 Ca -0.14 -2.36 -0.20 0.00 -2.01 0.00 0.00 57.72 53.01 3dxj n HIS 92 Cb 0.67 0.20 -0.13 0.00 0.12 0.00 0.00 29.99 30.84 3dxj n HIS 92 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 3dxj s ILE 93 N -3.10 1.10 -0.24 0.61 1.01 -0.28 0.91 121.20 121.22 3dxj s ILE 93 Ca 0.31 -0.99 -0.08 0.00 0.00 0.00 0.00 60.65 59.89 3dxj s ILE 93 Cb 0.01 -1.00 -0.04 0.00 0.01 0.00 0.00 42.46 41.45 3dxj s ILE 93 CO 0.22 0.01 0.09 -0.70 0.00 0.00 0.00 174.94 174.56 3dxj s GLU 94 N -1.12 3.81 -0.14 2.79 2.56 -1.26 -1.82 118.70 123.51 3dxj s GLU 94 Ca 0.01 -0.41 -0.27 0.00 0.00 0.00 0.00 54.97 54.31 3dxj s GLU 94 Cb -0.08 -3.36 -0.02 0.00 2.00 0.00 0.00 34.13 32.67 3dxj s GLU 94 CO 0.01 -0.06 0.88 -0.51 -0.56 0.00 0.00 175.26 175.03 3dxj s LEU 95 N 1.29 4.21 0.45 2.70 1.43 0.44 -4.90 118.68 124.30 3dxj s LEU 95 Ca 0.05 1.30 0.19 0.00 -1.03 0.00 0.00 54.13 54.64 3dxj s LEU 95 Cb -0.15 -3.33 1.15 0.00 0.03 0.00 0.00 46.19 43.89 3dxj s LEU 95 CO 0.04 -0.39 1.92 0.00 0.23 0.00 0.00 176.35 178.15 3dxj h ALA 96 N 7.20 2.24 -2.61 4.21 0.00 -1.87 -3.42 119.26 125.02 3dxj h ALA 96 Ca -0.31 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.40 3dxj h ALA 96 Cb 1.14 -0.03 -0.18 0.00 0.00 0.00 0.00 17.79 18.73 3dxj h ALA 96 CO 0.84 -0.45 -0.70 0.99 0.00 0.00 0.00 179.25 179.92 3dxj s THR 97 N -5.31 0.40 0.39 0.00 2.01 -1.26 -5.06 115.64 106.80 3dxj s THR 97 Ca -0.07 -1.48 -0.26 0.00 0.31 0.00 0.00 61.69 60.19 3dxj s THR 97 Cb 0.21 -1.09 -0.09 0.00 0.01 0.00 0.00 72.50 71.55 3dxj s THR 97 CO 0.76 -0.72 1.19 -2.84 -0.69 0.00 0.00 174.62 172.33 3dxj s PRO 98 N -2.83 4.09 -0.01 4.92 0.02 -1.25 -4.65 135.00 135.29 3dxj s PRO 98 Ca -0.01 1.91 0.04 0.00 0.02 0.00 0.00 61.00 62.97 3dxj s PRO 98 Cb -0.01 -2.74 -0.01 0.00 0.02 0.00 0.00 34.50 31.76 3dxj s PRO 98 CO -0.04 -0.31 -0.14 0.00 -0.33 0.00 0.00 177.00 176.18 3dxj s ALA 99 N -1.36 1.16 0.23 -1.55 0.00 0.87 -4.31 121.76 116.81 3dxj s ALA 99 Ca 0.56 -0.61 -0.24 0.00 0.00 0.00 0.00 51.96 51.67 3dxj s ALA 99 Cb -0.32 -0.29 -0.09 0.00 0.00 0.00 0.00 23.12 22.41 3dxj s ALA 99 CO 0.41 0.28 0.82 0.00 0.00 0.00 0.00 175.76 177.28 3dxj s ALA 100 N -0.34 3.36 -0.47 0.00 0.00 -1.26 0.31 121.76 123.36 3dxj s ALA 100 Ca 0.05 0.37 -0.26 0.00 0.00 0.00 0.00 51.96 52.12 3dxj s ALA 100 Cb -0.05 -3.00 0.03 0.00 0.00 0.00 0.00 23.12 20.09 3dxj s ALA 100 CO -0.01 0.26 0.97 -1.58 0.00 0.00 0.00 175.76 175.41 3dxj s HIS 101 N -1.39 2.89 0.29 0.00 2.46 -1.04 -4.66 115.29 113.84 3dxj s HIS 101 Ca 0.42 0.41 0.04 0.00 0.47 0.00 0.00 55.06 56.41 3dxj s HIS 101 Cb -0.20 -4.07 0.75 0.00 -0.13 0.00 0.00 32.58 28.92 3dxj s HIS 101 CO 0.25 -1.16 1.70 0.97 -2.47 0.00 0.00 174.74 174.02 3dxj h ILE 102 N 6.11 0.47 0.00 0.89 2.10 -1.95 -1.86 117.51 123.27 3dxj h ILE 102 Ca -0.24 -0.14 0.00 0.00 1.08 0.00 0.00 64.86 65.56 3dxj h ILE 102 Cb 1.07 0.03 0.00 0.00 -1.09 0.00 0.00 36.82 36.83 3dxj h ILE 102 CO 1.05 0.07 0.00 0.79 -1.08 0.00 0.00 178.15 178.99 3dxj n TRP 103 N -5.04 0.00 -1.59 2.19 7.02 -1.26 0.17 117.44 118.94 3dxj n TRP 103 Ca 0.23 0.00 0.06 0.00 -1.02 0.00 0.00 57.50 56.77 3dxj n TRP 103 Cb 0.67 0.00 0.13 0.00 -2.42 0.00 0.00 31.31 29.69 3dxj n TRP 103 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 3dxj n PHE 104 N -0.72 0.00 0.08 -5.99 3.01 -0.70 -4.47 117.46 108.66 3dxj n PHE 104 Ca 0.00 -1.01 0.00 0.00 1.01 0.00 0.00 57.45 57.45 3dxj n PHE 104 Cb 0.00 -0.18 0.00 0.00 -0.01 0.00 0.00 39.48 39.29 3dxj n PHE 104 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 3dxj n VAL 105 N -0.87 0.09 0.59 -4.37 0.31 0.45 -3.48 118.33 111.04 3dxj n VAL 105 Ca 0.14 0.03 0.09 0.00 -0.01 0.00 0.00 64.34 64.59 3dxj n VAL 105 Cb 0.74 -0.41 0.39 0.00 -0.91 0.00 0.00 33.84 33.65 3dxj n VAL 105 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3dxj n LYS 106 N -3.06 0.03 -3.22 5.55 4.76 -0.98 -4.36 118.16 116.88 3dxj n LYS 106 Ca 0.00 0.22 -0.39 0.00 -2.87 0.00 0.00 58.31 55.27 3dxj n LYS 106 Cb 0.00 -1.56 -0.06 0.00 -1.84 0.00 0.00 35.03 31.58 3dxj n LYS 106 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3dxj s ASP 107 N -3.20 6.71 -0.02 4.39 -1.08 -1.26 -4.98 116.67 117.23 3dxj s ASP 107 Ca 0.08 0.85 0.04 0.00 -0.52 0.00 0.00 52.55 53.01 3dxj s ASP 107 Cb 0.11 -2.32 -0.03 0.00 -1.46 0.00 0.00 42.92 39.23 3dxj s ASP 107 CO 0.34 -0.10 -0.13 -0.69 0.52 0.00 0.00 175.17 175.11 3dxj s VAL 108 N 1.07 3.17 0.31 1.11 1.01 -1.26 -1.44 120.40 124.37 3dxj s VAL 108 Ca 0.28 -0.83 -0.29 0.00 0.00 0.00 0.00 61.98 61.14 3dxj s VAL 108 Cb -0.16 -2.30 -0.12 0.00 0.00 0.00 0.00 36.38 33.81 3dxj s VAL 108 CO 0.11 0.49 1.53 -0.81 0.00 0.00 0.00 175.10 176.42 3dxj n PRO 109 N 1.96 2.59 -1.71 2.72 -0.04 -1.26 -4.99 135.00 134.27 3dxj n PRO 109 Ca -0.17 0.92 -0.30 0.00 -0.04 0.00 0.00 63.50 63.91 3dxj n PRO 109 Cb 0.52 -2.66 -0.07 0.00 -0.04 0.00 0.00 33.50 31.25 3dxj n PRO 109 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3dxj n SER 110 N 1.60 2.54 0.00 3.54 2.88 -0.52 -4.80 113.62 118.87 3dxj n SER 110 Ca 0.07 -2.65 0.00 0.00 -1.33 0.00 0.00 58.87 54.96 3dxj n SER 110 Cb 0.37 -1.54 0.00 0.00 -0.75 0.00 0.00 64.21 62.28 3dxj n SER 110 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3dxj n LYS 111 N 8.00 0.00 0.05 -1.46 4.76 -1.25 0.14 118.16 128.40 3dxj n LYS 111 Ca 0.45 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.78 3dxj n LYS 111 Cb 0.45 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.60 3dxj n LYS 111 CO 0.00 0.00 0.00 -0.84 -1.37 0.00 0.00 177.40 175.19 3dxj h ILE 112 N 0.00 0.43 -0.49 -0.18 3.07 -1.87 -0.89 117.51 117.57 3dxj h ILE 112 Ca 0.00 0.00 -0.08 0.00 1.55 0.00 0.00 64.86 66.33 3dxj h ILE 112 Cb 0.00 0.43 -0.02 0.00 -0.27 0.00 0.00 36.82 36.96 3dxj h ILE 112 CO 0.00 0.00 -0.01 1.23 -1.05 0.00 0.00 178.15 178.32 3dxj h GLY 113 N -0.37 0.95 -0.09 0.16 0.00 0.99 0.25 103.07 104.96 3dxj h GLY 113 Ca 0.07 -0.70 0.00 0.00 0.00 0.00 0.00 47.33 46.70 3dxj h GLY 113 CO -0.23 0.65 0.00 2.41 0.00 0.00 0.00 176.54 179.36 3dxj n THR 114 N -4.32 0.00 -0.22 4.70 -1.04 0.22 0.91 114.28 114.54 3dxj n THR 114 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 3dxj n THR 114 Cb 0.32 -0.38 0.00 0.00 -1.82 0.00 0.00 70.33 68.45 3dxj n THR 114 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 3dxj n LEU 115 N -0.42 0.18 -0.24 -4.42 7.94 0.80 -4.68 117.00 116.16 3dxj n LEU 115 Ca 0.00 -0.32 0.05 0.00 -1.11 0.00 0.00 56.01 54.63 3dxj n LEU 115 Cb 0.00 0.00 0.07 0.00 0.53 0.00 0.00 43.42 44.03 3dxj n LEU 115 CO 0.00 0.05 0.43 0.18 -1.11 0.00 0.00 177.39 176.93 3dxj n LEU 116 N -0.28 1.30 -2.02 -1.96 4.77 0.26 -4.94 117.00 114.14 3dxj n LEU 116 Ca 0.00 -2.09 -0.18 0.00 -0.03 0.00 0.00 56.01 53.71 3dxj n LEU 116 Cb 0.05 -0.22 -0.01 0.00 -2.33 0.00 0.00 43.42 40.91 3dxj n LEU 116 CO 0.00 0.49 -0.23 -0.67 -1.33 0.00 0.00 177.39 175.65 3dxj n ASP 117 N -0.77 -5.23 -4.70 -1.43 -0.08 -0.78 -4.95 116.55 98.61 3dxj n ASP 117 Ca 0.08 0.00 -0.35 0.00 -1.51 0.00 0.00 54.79 53.01 3dxj n ASP 117 Cb 0.64 -4.30 -0.09 0.00 2.34 0.00 0.00 41.12 39.71 3dxj n ASP 117 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 3dxj s LEU 118 N -5.12 3.78 -0.21 -2.67 1.43 -0.63 -5.03 118.68 110.23 3dxj s LEU 118 Ca 0.00 0.17 -0.35 0.00 -1.03 0.00 0.00 54.13 52.92 3dxj s LEU 118 Cb 0.00 -1.90 -0.12 0.00 0.03 0.00 0.00 46.19 44.20 3dxj s LEU 118 CO 0.00 0.32 1.95 -0.24 0.23 0.00 0.00 176.35 178.61 3dxj n SER 119 N 2.55 2.87 0.00 2.29 2.88 -1.26 -4.26 113.62 118.69 3dxj n SER 119 Ca -0.18 0.81 0.00 0.00 -1.33 0.00 0.00 58.87 58.17 3dxj n SER 119 Cb 0.53 -1.30 0.00 0.00 -0.75 0.00 0.00 64.21 62.69 3dxj n SER 119 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3dxj n ALA 120 N 7.48 0.15 -0.78 -1.46 0.00 -1.26 -1.80 120.51 122.83 3dxj n ALA 120 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.73 3dxj n ALA 120 Cb 0.25 -0.13 0.00 0.00 0.00 0.00 0.00 19.45 19.57 3dxj n ALA 120 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3dxj n THR 121 N -0.98 0.00 0.00 0.00 -2.24 -1.26 -4.74 114.28 105.06 3dxj n THR 121 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3dxj n THR 121 Cb 0.36 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 3dxj n THR 121 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3dxj n GLU 122 N -1.33 0.00 0.00 -0.78 -0.58 -1.23 -0.59 120.64 116.14 3dxj n GLU 122 Ca 0.00 0.51 0.00 0.00 -0.42 0.00 0.00 57.16 57.25 3dxj n GLU 122 Cb 0.00 -0.77 0.00 0.00 -0.57 0.00 0.00 31.44 30.10 3dxj n GLU 122 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3dxj n LEU 123 N -2.44 0.00 0.00 -4.62 4.77 -1.12 -2.69 117.00 110.89 3dxj n LEU 123 Ca 0.00 0.55 0.00 0.00 -0.03 0.00 0.00 56.01 56.53 3dxj n LEU 123 Cb 0.00 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 3dxj n LEU 123 CO 0.00 -0.05 0.13 -0.62 -1.33 0.00 0.00 177.39 175.53 3dxj n GLU 124 N -0.65 0.00 0.00 3.23 1.02 -0.74 -2.86 120.64 120.64 3dxj n GLU 124 Ca 0.00 0.27 0.00 0.00 -0.02 0.00 0.00 57.16 57.41 3dxj n GLU 124 Cb 0.00 -0.63 0.00 0.00 -0.02 0.00 0.00 31.44 30.79 3dxj n GLU 124 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 3dxj n GLN 125 N -0.63 0.00 -0.09 3.49 -0.06 0.24 -1.64 117.38 118.69 3dxj n GLN 125 Ca 0.00 0.49 -0.01 0.00 -2.00 0.00 0.00 57.00 55.47 3dxj n GLN 125 Cb 0.00 -0.78 -0.01 0.00 -4.06 0.00 0.00 30.24 25.39 3dxj n GLN 125 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 3dxj n VAL 126 N -1.97 -0.13 0.00 1.69 0.31 -1.10 -2.06 118.33 115.08 3dxj n VAL 126 Ca 0.00 0.52 0.00 0.00 -0.01 0.00 0.00 64.34 64.85 3dxj n VAL 126 Cb 0.00 -0.66 0.00 0.00 -0.91 0.00 0.00 33.84 32.27 3dxj n VAL 126 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 3dxj n LEU 127 N -4.30 1.23 0.00 7.52 0.00 -0.65 -2.24 117.00 118.55 3dxj n LEU 127 Ca 0.01 0.22 0.00 0.00 0.00 0.00 0.00 56.01 56.24 3dxj n LEU 127 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.49 3dxj n LEU 127 CO -0.03 0.00 0.30 0.00 0.00 0.00 0.00 177.39 177.66 3dxj n TYR 128 N -0.42 0.00 -0.29 1.96 9.36 -1.05 -1.91 117.16 124.82 3dxj n TYR 128 Ca 0.00 0.00 0.02 0.00 3.32 0.00 0.00 57.90 61.24 3dxj n TYR 128 Cb 0.00 -0.12 0.07 0.00 -0.63 0.00 0.00 39.34 38.65 3dxj n TYR 128 CO 0.00 0.00 0.00 1.19 0.22 0.00 0.00 176.86 178.27 3dxj n PHE 129 N -1.49 0.14 0.00 2.98 3.72 -0.87 -3.51 117.46 118.43 3dxj n PHE 129 Ca 0.00 0.94 0.00 0.00 -0.05 0.00 0.00 57.45 58.34 3dxj n PHE 129 Cb 0.00 -0.86 0.00 0.00 -0.94 0.00 0.00 39.48 37.68 3dxj n PHE 129 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3dxj n SER 130 N -5.19 0.00 0.05 4.37 2.88 -0.80 -4.63 113.62 110.29 3dxj n SER 130 Ca 0.10 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.52 3dxj n SER 130 Cb 0.34 0.23 -0.09 0.00 -0.75 0.00 0.00 64.21 63.94 3dxj n SER 130 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 3dxj h LYS 131 N 0.00 -0.17 -6.15 -1.46 2.10 -1.70 -3.47 116.57 105.73 3dxj h LYS 131 Ca 0.00 0.01 -0.52 0.00 -2.00 0.00 0.00 60.65 58.14 3dxj h LYS 131 Cb 0.00 0.04 -0.04 0.00 -0.90 0.00 0.00 32.23 31.33 3dxj h LYS 131 CO 0.00 0.28 -0.49 0.71 -2.00 0.00 0.00 179.45 177.94 3dxj s TYR 132 N -3.97 3.31 0.13 0.07 2.02 -0.95 -4.74 117.35 113.21 3dxj s TYR 132 Ca -0.14 -0.00 0.09 0.00 -0.37 0.00 0.00 57.07 56.64 3dxj s TYR 132 Cb 0.01 -1.54 -0.04 0.00 -0.40 0.00 0.00 41.96 39.99 3dxj s TYR 132 CO 0.57 0.50 -0.15 0.96 -1.57 0.00 0.00 175.55 175.86 3dxj s ILE 133 N -1.89 3.02 0.18 2.71 -4.36 -0.98 -4.01 121.20 115.87 3dxj s ILE 133 Ca 0.33 -1.48 0.11 0.00 -0.26 0.00 0.00 60.65 59.35 3dxj s ILE 133 Cb -0.10 -2.41 -0.04 0.00 1.25 0.00 0.00 42.46 41.16 3dxj s ILE 133 CO 0.27 0.07 -0.24 0.68 0.24 0.00 0.00 174.94 175.95 3dxj s VAL 134 N -1.26 2.38 -0.45 8.37 -7.23 -1.22 0.01 120.40 120.99 3dxj s VAL 134 Ca 0.20 -1.97 -0.29 0.00 -1.81 0.00 0.00 61.98 58.12 3dxj s VAL 134 Cb -0.10 -2.13 0.01 0.00 0.56 0.00 0.00 36.38 34.72 3dxj s VAL 134 CO 0.12 -0.08 1.41 -0.76 -0.31 0.00 0.00 175.10 175.48 3dxj s LEU 135 N -2.57 3.54 0.00 1.32 1.43 -1.09 -3.31 118.68 117.99 3dxj s LEU 135 Ca 0.20 0.67 0.00 0.00 -1.03 0.00 0.00 54.13 53.97 3dxj s LEU 135 Cb -0.08 -3.41 0.00 0.00 0.03 0.00 0.00 46.19 42.72 3dxj s LEU 135 CO 0.09 -1.51 0.47 0.47 0.23 0.00 0.00 176.35 176.10 3dxj n ASP 136 N 9.03 0.00 -0.04 2.29 8.00 0.78 -3.94 116.55 132.66 3dxj n ASP 136 Ca 0.15 0.47 -0.08 0.00 0.71 0.00 0.00 54.79 56.04 3dxj n ASP 136 Cb 0.48 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.56 3dxj n ASP 136 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 3dxj n PRO 137 N -0.48 0.33 -4.37 -0.24 -0.04 -1.20 -4.72 135.00 124.28 3dxj n PRO 137 Ca 0.00 0.13 -0.31 0.00 -0.04 0.00 0.00 63.50 63.28 3dxj n PRO 137 Cb 0.00 -1.07 -0.10 0.00 -0.04 0.00 0.00 33.50 32.29 3dxj n PRO 137 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3dxj s LYS 138 N -2.51 2.48 -0.46 0.54 1.02 -1.26 -4.91 119.74 114.64 3dxj s LYS 138 Ca -0.19 -0.79 0.07 0.00 0.02 0.00 0.00 55.97 55.09 3dxj s LYS 138 Cb 0.04 -2.48 0.18 0.00 -0.52 0.00 0.00 37.83 35.05 3dxj s LYS 138 CO 0.27 0.58 0.65 0.20 -0.92 0.00 0.00 175.35 176.12 3dxj s GLY 139 N -1.69 -1.10 -0.12 -3.33 0.00 -1.26 -3.62 107.32 96.20 3dxj s GLY 139 Ca 0.19 -0.25 -0.14 0.00 0.00 0.00 0.00 44.72 44.53 3dxj s GLY 139 CO 0.10 3.55 0.44 0.00 0.00 0.00 0.00 173.10 177.20 3dxj h ALA 140 N 6.02 0.27 -2.57 3.20 0.00 -1.93 -3.32 119.26 120.92 3dxj h ALA 140 Ca 0.06 -1.20 -0.53 0.00 0.00 0.00 0.00 54.91 53.24 3dxj h ALA 140 Cb 1.13 0.59 0.16 0.00 0.00 0.00 0.00 17.79 19.67 3dxj h ALA 140 CO 0.07 0.96 0.35 -1.50 0.00 0.00 0.00 179.25 179.14 3dxj s ILE 141 N -2.49 2.39 0.09 0.00 2.07 -1.26 -4.73 121.20 117.27 3dxj s ILE 141 Ca -0.22 0.17 -0.01 0.00 -1.41 0.00 0.00 60.65 59.18 3dxj s ILE 141 Cb 0.05 -2.63 0.01 0.00 0.13 0.00 0.00 42.46 40.02 3dxj s ILE 141 CO 0.74 -0.12 0.13 0.00 -1.91 0.00 0.00 174.94 173.78 3dxj n LEU 142 N -3.04 0.00 -0.21 8.50 -0.00 -1.26 -4.56 117.00 116.43 3dxj n LEU 142 Ca 0.13 -0.66 0.02 0.00 -0.00 0.00 0.00 56.01 55.49 3dxj n LEU 142 Cb 0.51 0.68 0.03 0.00 -0.00 0.00 0.00 43.42 44.64 3dxj n LEU 142 CO 0.48 -0.17 0.35 -0.46 -0.00 0.00 0.00 177.39 177.60 3dxj n ASN 143 N -1.79 0.78 0.00 1.45 6.94 -1.26 -4.92 115.26 116.46 3dxj n ASN 143 Ca -0.00 -1.98 0.00 0.00 -0.02 0.00 0.00 54.58 52.57 3dxj n ASN 143 Cb 0.14 -0.17 0.00 0.00 -2.36 0.00 0.00 39.78 37.39 3dxj n ASN 143 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3dxj n GLY 144 N -0.38 3.41 3.58 4.83 0.00 -1.26 -5.05 105.19 110.32 3dxj n GLY 144 Ca 0.03 -0.57 -0.41 0.00 0.00 0.00 0.00 46.02 45.07 3dxj n GLY 144 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dxj s VAL 145 N 0.00 4.98 0.07 1.61 1.01 -1.26 -5.00 120.40 121.81 3dxj s VAL 145 Ca 0.00 0.59 -0.17 0.00 0.00 0.00 0.00 61.98 62.39 3dxj s VAL 145 Cb 0.00 -3.97 -0.06 0.00 0.00 0.00 0.00 36.38 32.35 3dxj s VAL 145 CO 0.00 -0.17 1.29 1.55 0.00 0.00 0.00 175.10 177.77 3dxj h PRO 146 N 8.34 -0.20 0.00 2.72 0.13 -1.87 -3.42 132.00 137.71 3dxj h PRO 146 Ca -0.27 0.01 -0.14 0.00 -0.87 0.00 0.00 66.00 64.73 3dxj h PRO 146 Cb 1.12 0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 3dxj h PRO 146 CO 0.78 -0.13 0.09 1.55 -0.23 0.00 0.00 178.00 180.06 3dxj n VAL 147 N -4.12 0.00 -3.66 1.56 3.14 -1.25 -4.09 118.33 109.90 3dxj n VAL 147 Ca -0.02 -1.33 -0.26 0.00 -2.96 0.00 0.00 64.34 59.78 3dxj n VAL 147 Cb 0.18 1.03 -0.17 0.00 -1.06 0.00 0.00 33.84 33.82 3dxj n VAL 147 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 3dxj s GLU 148 N -2.40 0.25 0.45 1.45 2.02 -1.26 -5.00 118.70 114.21 3dxj s GLU 148 Ca 0.21 -0.15 0.38 0.00 0.02 0.00 0.00 54.97 55.43 3dxj s GLU 148 Cb -0.03 -1.81 1.47 0.00 0.10 0.00 0.00 34.13 33.86 3dxj s GLU 148 CO 0.16 -0.63 1.42 0.36 0.02 0.00 0.00 175.26 176.59 3dxj n LYS 149 N 5.21 -0.02 0.00 1.61 2.85 -1.26 -3.37 118.16 123.18 3dxj n LYS 149 Ca -0.07 1.06 0.00 0.00 -1.05 0.00 0.00 58.31 58.25 3dxj n LYS 149 Cb 0.49 -2.26 0.00 0.00 -0.65 0.00 0.00 35.03 32.60 3dxj n LYS 149 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 177.40 180.24 3dxj n ARG 150 N -4.13 0.00 -0.65 -1.58 1.85 -1.25 -4.68 116.66 106.22 3dxj n ARG 150 Ca 0.39 0.00 -0.31 0.00 -1.00 0.00 0.00 57.85 56.93 3dxj n ARG 150 Cb 1.63 0.00 0.18 0.00 -1.05 0.00 0.00 32.46 33.23 3dxj n ARG 150 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 3dxj n GLN 151 N 0.00 -0.92 -1.04 2.89 6.02 -1.22 -3.92 117.38 119.20 3dxj n GLN 151 Ca 0.00 -0.21 -0.30 0.00 -0.01 0.00 0.00 57.00 56.47 3dxj n GLN 151 Cb 0.27 -2.24 0.14 0.00 1.02 0.00 0.00 30.24 29.43 3dxj n GLN 151 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 3dxj s LEU 152 N -5.81 2.55 0.04 1.08 2.96 -1.26 -2.66 118.68 115.58 3dxj s LEU 152 Ca 0.66 1.78 -0.26 0.00 -0.22 0.00 0.00 54.13 56.09 3dxj s LEU 152 Cb -0.23 -4.25 0.06 0.00 0.50 0.00 0.00 46.19 42.28 3dxj s LEU 152 CO 0.61 -2.68 0.61 -0.22 -1.32 0.00 0.00 176.35 173.35 3dxj s LEU 153 N -6.30 -0.46 0.46 -0.68 0.20 0.10 -4.85 118.68 107.15 3dxj s LEU 153 Ca 0.64 0.36 0.08 0.00 0.69 0.00 0.00 54.13 55.90 3dxj s LEU 153 Cb -0.19 2.43 0.03 0.00 -0.43 0.00 0.00 46.19 48.02 3dxj s LEU 153 CO 0.58 -0.74 0.60 0.28 -0.29 0.00 0.00 176.35 176.77 3dxj s THR 154 N -2.27 2.75 0.00 3.68 -1.32 -1.26 -2.32 115.64 114.90 3dxj s THR 154 Ca -0.06 -1.04 0.00 0.00 -1.21 0.00 0.00 61.69 59.38 3dxj s THR 154 Cb -0.01 -2.79 0.00 0.00 -1.51 0.00 0.00 72.50 68.20 3dxj s THR 154 CO 0.00 0.00 0.88 -0.67 -2.21 0.00 0.00 174.62 172.62 3dxj n ASP 155 N -1.91 0.00 -0.32 8.08 -0.08 -1.26 0.12 116.55 121.17 3dxj n ASP 155 Ca 0.09 0.88 0.22 0.00 -1.51 0.00 0.00 54.79 54.48 3dxj n ASP 155 Cb 0.60 -0.38 0.44 0.00 2.34 0.00 0.00 41.12 44.12 3dxj n ASP 155 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 3dxj h GLU 156 N 0.00 0.13 0.54 -0.67 9.09 -1.97 1.99 114.58 123.68 3dxj h GLU 156 Ca 0.00 -0.01 -0.02 0.00 0.05 0.00 0.00 59.36 59.38 3dxj h GLU 156 Cb 0.00 -0.03 -0.02 0.00 -1.65 0.00 0.00 28.75 27.05 3dxj h GLU 156 CO 0.00 0.09 -0.49 0.93 0.05 0.00 0.00 179.01 179.59 3dxj h GLU 157 N 0.13 -0.98 -0.27 1.06 5.08 -1.82 0.48 114.58 118.27 3dxj h GLU 157 Ca 0.71 0.07 0.03 0.00 -1.00 0.00 0.00 59.36 59.17 3dxj h GLU 157 Cb 1.66 0.22 -0.06 0.00 0.50 0.00 0.00 28.75 31.07 3dxj h GLU 157 CO -0.73 -0.65 -0.42 -0.92 -1.00 0.00 0.00 179.01 175.29 3dxj h TYR 158 N -1.01 -1.28 -0.67 4.33 3.20 1.07 -1.72 116.97 120.89 3dxj h TYR 158 Ca -0.07 0.06 0.02 0.00 3.14 0.00 0.00 58.73 61.88 3dxj h TYR 158 Cb 0.86 0.59 -0.04 0.00 1.54 0.00 0.00 36.73 39.69 3dxj h TYR 158 CO -0.22 -0.38 0.44 0.00 -1.64 0.00 0.00 178.16 176.36 3dxj h ARG 159 N -0.33 0.83 0.00 1.82 3.08 -0.10 -0.65 114.38 119.03 3dxj h ARG 159 Ca 0.05 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3dxj h ARG 159 Cb 0.46 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.33 3dxj h ARG 159 CO -0.43 0.55 0.00 -1.91 -1.07 0.00 0.00 179.97 177.11 3dxj n GLU 160 N -4.45 0.19 -0.04 0.04 2.13 0.17 -0.51 120.64 118.18 3dxj n GLU 160 Ca 0.08 0.01 -0.06 0.00 0.66 0.00 0.00 57.16 57.84 3dxj n GLU 160 Cb 0.08 -1.50 -0.03 0.00 0.27 0.00 0.00 31.44 30.26 3dxj n GLU 160 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3dxj n LEU 161 N -1.01 1.84 0.34 4.31 4.77 -0.36 -3.84 117.00 123.04 3dxj n LEU 161 Ca 0.05 0.02 -0.14 0.00 -0.03 0.00 0.00 56.01 55.91 3dxj n LEU 161 Cb 0.02 -0.24 -0.07 0.00 -2.33 0.00 0.00 43.42 40.80 3dxj n LEU 161 CO 0.04 0.40 0.53 0.03 -1.33 0.00 0.00 177.39 177.06 3dxj h ARG 162 N -0.13 -0.87 -0.08 3.23 2.47 -0.15 -2.90 114.38 115.94 3dxj h ARG 162 Ca -0.18 0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.60 3dxj h ARG 162 Cb 1.21 0.20 0.00 0.00 -1.65 0.00 0.00 29.97 29.73 3dxj h ARG 162 CO -0.07 -0.58 0.00 0.66 0.56 0.00 0.00 179.97 180.54 3dxj n TYR 163 N -4.59 0.10 0.00 3.04 4.02 0.34 -4.55 117.16 115.52 3dxj n TYR 163 Ca -0.11 -0.05 0.00 0.00 -0.01 0.00 0.00 57.90 57.73 3dxj n TYR 163 Cb 0.37 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.69 3dxj n TYR 163 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3dxj n GLY 164 N 0.85 1.93 3.19 2.72 0.00 -1.10 -4.50 105.19 108.28 3dxj n GLY 164 Ca 0.12 0.18 -0.10 0.00 0.00 0.00 0.00 46.02 46.22 3dxj n GLY 164 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dxj s LYS 165 N 0.00 0.28 0.21 1.61 1.02 -1.26 -4.24 119.74 117.36 3dxj s LYS 165 Ca 0.00 0.90 0.05 0.00 0.02 0.00 0.00 55.97 56.94 3dxj s LYS 165 Cb 0.00 0.16 -0.05 0.00 -0.52 0.00 0.00 37.83 37.42 3dxj s LYS 165 CO 0.00 -0.24 -0.06 -0.65 -0.92 0.00 0.00 175.35 173.48 3dxj s GLN 166 N 2.31 1.29 -0.29 1.68 -0.21 -1.25 0.60 119.66 123.78 3dxj s GLN 166 Ca -0.03 -1.62 -0.13 0.00 0.02 0.00 0.00 55.36 53.60 3dxj s GLN 166 Cb -0.11 -0.76 0.11 0.00 1.00 0.00 0.00 33.01 33.24 3dxj s GLN 166 CO -0.11 0.01 0.68 -1.21 -2.12 0.00 0.00 175.29 172.54 3dxj s GLU 167 N -3.78 0.63 0.03 2.91 0.41 0.27 -4.90 118.70 114.27 3dxj s GLU 167 Ca 0.25 1.32 -0.14 0.00 -0.41 0.00 0.00 54.97 55.98 3dxj s GLU 167 Cb 0.04 0.51 -0.06 0.00 -1.78 0.00 0.00 34.13 32.83 3dxj s GLU 167 CO 0.07 -0.17 0.42 -0.08 -0.49 0.00 0.00 175.26 175.01 3dxj s THR 168 N 2.26 5.02 -0.31 3.63 -1.32 -1.25 -0.05 115.64 123.62 3dxj s THR 168 Ca -0.08 0.77 -0.01 0.00 -1.21 0.00 0.00 61.69 61.16 3dxj s THR 168 Cb -0.08 -3.71 0.10 0.00 -1.51 0.00 0.00 72.50 67.30 3dxj s THR 168 CO -0.19 0.49 0.11 -0.31 -2.21 0.00 0.00 174.62 172.50 3dxj s TYR 169 N -1.18 1.45 0.32 9.09 1.51 0.53 -4.87 117.35 124.20 3dxj s TYR 169 Ca 0.27 -1.60 -0.29 0.00 -1.01 0.00 0.00 57.07 54.45 3dxj s TYR 169 Cb -0.16 -1.57 -0.10 0.00 -0.11 0.00 0.00 41.96 40.02 3dxj s TYR 169 CO 0.15 -0.87 1.34 -2.14 -1.11 0.00 0.00 175.55 172.93 3dxj s PRO 170 N 1.67 4.32 -0.11 -1.71 0.02 -1.26 -0.89 135.00 137.04 3dxj s PRO 170 Ca 0.10 2.25 0.02 0.00 0.02 0.00 0.00 61.00 63.39 3dxj s PRO 170 Cb -0.17 -3.07 0.01 0.00 0.02 0.00 0.00 34.50 31.29 3dxj s PRO 170 CO -0.27 -0.26 -0.15 -0.51 -0.33 0.00 0.00 177.00 175.48 3dxj s LEU 171 N -1.52 1.74 1.01 -5.54 1.43 -0.55 -4.93 118.68 110.32 3dxj s LEU 171 Ca 0.51 -0.44 -0.16 0.00 -1.03 0.00 0.00 54.13 53.01 3dxj s LEU 171 Cb -0.41 -1.11 0.09 0.00 0.03 0.00 0.00 46.19 44.79 3dxj s LEU 171 CO 0.52 0.02 -0.05 -2.65 0.23 0.00 0.00 176.35 174.41 3dxj n PRO 172 N 4.22 -1.64 -2.67 1.29 -0.02 -1.26 -4.80 135.00 130.12 3dxj n PRO 172 Ca -0.19 -0.48 -0.43 0.00 -2.02 0.00 0.00 63.50 60.38 3dxj n PRO 172 Cb 0.51 -1.45 -0.02 0.00 -0.02 0.00 0.00 33.50 32.52 3dxj n PRO 172 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3dxj s PRO 173 N -3.17 3.96 0.00 0.52 0.04 -1.26 -2.87 135.00 132.21 3dxj s PRO 173 Ca 0.40 0.87 0.00 0.00 0.04 0.00 0.00 61.00 62.31 3dxj s PRO 173 Cb -0.05 -3.78 0.00 0.00 0.04 0.00 0.00 34.50 30.71 3dxj s PRO 173 CO 0.46 -1.00 0.00 0.41 0.04 0.00 0.00 177.00 176.91 3dxj n GLY 174 N 4.16 0.76 3.71 0.56 0.00 -1.26 -5.06 105.19 108.06 3dxj n GLY 174 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 3dxj n GLY 174 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dxj s VAL 175 N -2.13 4.84 0.00 1.61 1.01 -1.14 -5.00 120.40 119.59 3dxj s VAL 175 Ca 0.00 2.05 0.00 0.00 0.00 0.00 0.00 61.98 64.03 3dxj s VAL 175 Cb 0.00 -4.31 0.00 0.00 0.00 0.00 0.00 36.38 32.07 3dxj s VAL 175 CO 0.00 0.17 0.00 -0.90 0.00 0.00 0.00 175.10 174.37 3dxj n ASP 176 N 3.86 0.00 0.00 3.32 5.75 -1.26 -4.71 116.55 123.50 3dxj n ASP 176 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.84 3dxj n ASP 176 Cb 0.51 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.60 3dxj n ASP 176 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3dxj n ALA 177 N -0.01 2.46 -2.31 2.12 0.00 -1.25 -5.01 120.51 116.51 3dxj n ALA 177 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 3dxj n ALA 177 Cb 0.00 0.18 0.01 0.00 0.00 0.00 0.00 19.45 19.65 3dxj n ALA 177 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3dxj n LEU 178 N -2.24 4.35 0.15 0.00 7.94 -1.26 -4.80 117.00 121.13 3dxj n LEU 178 Ca 0.00 -4.74 0.02 0.00 -1.11 0.00 0.00 56.01 50.19 3dxj n LEU 178 Cb 0.18 -0.27 0.11 0.00 0.53 0.00 0.00 43.42 43.97 3dxj n LEU 178 CO 0.00 2.04 0.50 1.62 -1.11 0.00 0.00 177.39 180.45 3dxj h VAL 179 N 2.66 0.97 -0.19 1.96 3.04 -1.95 -2.52 116.25 120.22 3dxj h VAL 179 Ca 0.27 -2.13 -0.01 0.00 -1.01 0.00 0.00 66.70 63.83 3dxj h VAL 179 Cb 1.25 2.31 -0.00 0.00 -2.01 0.00 0.00 31.29 32.83 3dxj h VAL 179 CO 0.73 0.51 0.01 2.29 -1.01 0.00 0.00 177.57 180.10 3dxj n LYS 180 N -3.34 2.25 -1.13 4.17 2.85 -1.26 -2.80 118.16 118.89 3dxj n LYS 180 Ca 0.01 -1.03 0.04 0.00 -1.05 0.00 0.00 58.31 56.28 3dxj n LYS 180 Cb 0.68 -1.74 0.06 0.00 -0.65 0.00 0.00 35.03 33.38 3dxj n LYS 180 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3dxj n ASP 181 N 0.20 1.04 -0.53 -5.58 8.00 -0.95 -4.77 116.55 113.95 3dxj n ASP 181 Ca 0.09 -2.39 0.00 0.00 0.71 0.00 0.00 54.79 53.20 3dxj n ASP 181 Cb 0.57 -0.33 0.00 0.00 -0.02 0.00 0.00 41.12 41.34 3dxj n ASP 181 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dxj n GLY 182 N 0.05 0.98 0.10 0.44 0.00 -1.12 -2.76 105.19 102.89 3dxj n GLY 182 Ca 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.08 3dxj n GLY 182 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3dxj h GLU 183 N 0.39 0.00 -1.94 1.61 4.81 -1.86 -3.37 114.58 114.21 3dxj h GLU 183 Ca 0.00 0.00 0.18 0.00 -0.13 0.00 0.00 59.36 59.41 3dxj h GLU 183 Cb 0.34 0.00 -0.16 0.00 0.63 0.00 0.00 28.75 29.56 3dxj h GLU 183 CO 0.00 0.58 0.63 -2.00 -0.73 0.00 0.00 179.01 177.49 3dxj s GLU 184 N -2.85 0.62 -0.11 1.92 2.12 -1.11 -4.89 118.70 114.40 3dxj s GLU 184 Ca 0.01 -0.24 -0.17 0.00 0.36 0.00 0.00 54.97 54.93 3dxj s GLU 184 Cb 0.08 0.28 0.04 0.00 0.26 0.00 0.00 34.13 34.79 3dxj s GLU 184 CO 0.79 -0.27 0.43 0.08 -0.54 0.00 0.00 175.26 175.75 3dxj s VAL 185 N -2.83 0.02 0.35 3.70 1.01 -0.74 -4.02 120.40 117.89 3dxj s VAL 185 Ca 0.07 -0.13 0.04 0.00 0.00 0.00 0.00 61.98 61.96 3dxj s VAL 185 Cb -0.01 -0.66 -0.06 0.00 0.00 0.00 0.00 36.38 35.65 3dxj s VAL 185 CO -0.07 -0.07 0.06 -0.69 0.00 0.00 0.00 175.10 174.33 3dxj s VAL 186 N -0.34 1.26 0.48 2.92 1.01 -1.26 -2.56 120.40 121.91 3dxj s VAL 186 Ca -0.05 -2.00 -0.23 0.00 0.00 0.00 0.00 61.98 59.70 3dxj s VAL 186 Cb -0.03 -2.78 -0.08 0.00 0.00 0.00 0.00 36.38 33.49 3dxj s VAL 186 CO 0.03 0.00 1.17 1.17 0.00 0.00 0.00 175.10 177.46 3dxj n LYS 187 N -0.75 1.55 -2.06 2.72 4.81 -1.22 -1.00 118.16 122.21 3dxj n LYS 187 Ca -0.03 0.56 -0.10 0.00 -0.87 0.00 0.00 58.31 57.87 3dxj n LYS 187 Cb 0.67 -2.30 -0.02 0.00 0.02 0.00 0.00 35.03 33.40 3dxj n LYS 187 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3dxj n GLY 188 N 0.98 -0.01 3.69 3.14 0.00 0.26 -4.71 105.19 108.53 3dxj n GLY 188 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 3dxj n GLY 188 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3dxj s GLN 189 N -4.29 4.20 0.10 1.61 0.74 0.16 -4.55 119.66 117.64 3dxj s GLN 189 Ca 0.00 2.31 -0.31 0.00 0.05 0.00 0.00 55.36 57.41 3dxj s GLN 189 Cb 0.00 -3.60 -0.09 0.00 1.10 0.00 0.00 33.01 30.42 3dxj s GLN 189 CO 0.00 -0.73 1.67 -1.21 -0.55 0.00 0.00 175.29 174.48 3dxj s GLU 190 N 2.64 4.19 0.00 1.67 2.02 -1.26 -1.90 118.70 126.05 3dxj s GLU 190 Ca 0.73 2.40 0.00 0.00 0.02 0.00 0.00 54.97 58.12 3dxj s GLU 190 Cb -0.39 -3.49 0.00 0.00 0.10 0.00 0.00 34.13 30.35 3dxj s GLU 190 CO 0.32 -0.73 0.00 -0.11 0.02 0.00 0.00 175.26 174.76 3dxj n LEU 191 N 5.23 0.00 -4.46 1.80 7.94 -0.83 -4.89 117.00 121.79 3dxj n LEU 191 Ca 0.16 0.00 -0.24 0.00 -1.11 0.00 0.00 56.01 54.82 3dxj n LEU 191 Cb 0.39 -0.07 -0.10 0.00 0.53 0.00 0.00 43.42 44.17 3dxj n LEU 191 CO 0.63 -0.17 -0.48 0.00 -1.11 0.00 0.00 177.39 176.25 3dxj s ALA 192 N -2.92 2.72 0.24 1.96 0.00 -1.08 -3.93 121.76 118.75 3dxj s ALA 192 Ca 0.00 -1.85 0.00 0.00 0.00 0.00 0.00 51.96 50.11 3dxj s ALA 192 Cb 0.00 -0.26 0.56 0.00 0.00 0.00 0.00 23.12 23.41 3dxj s ALA 192 CO 0.00 0.29 1.21 -2.30 0.00 0.00 0.00 175.76 174.96 3dxj n PRO 193 N -0.54 -0.06 -1.18 0.00 -0.02 -1.26 0.44 135.00 132.38 3dxj n PRO 193 Ca -0.06 1.16 -0.12 0.00 -2.02 0.00 0.00 63.50 62.47 3dxj n PRO 193 Cb 0.60 -1.83 0.14 0.00 -0.02 0.00 0.00 33.50 32.38 3dxj n PRO 193 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dxj n GLY 194 N -1.40 5.47 2.98 -1.23 0.00 -1.26 -4.98 105.19 104.77 3dxj n GLY 194 Ca 0.17 -1.76 -0.21 0.00 0.00 0.00 0.00 46.02 44.22 3dxj n GLY 194 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dxj s VAL 195 N -3.79 0.83 0.43 1.61 1.01 0.17 -5.11 120.40 115.54 3dxj s VAL 195 Ca 0.48 -0.34 0.06 0.00 0.00 0.00 0.00 61.98 62.17 3dxj s VAL 195 Cb 0.41 -0.77 -0.07 0.00 0.00 0.00 0.00 36.38 35.96 3dxj s VAL 195 CO -0.00 0.27 0.01 0.68 0.00 0.00 0.00 175.10 176.06 3dxj s VAL 196 N 0.49 1.81 -0.48 2.92 -7.23 -1.26 -1.96 120.40 114.69 3dxj s VAL 196 Ca -0.08 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.15 3dxj s VAL 196 Cb -0.12 -2.84 0.21 0.00 0.56 0.00 0.00 36.38 34.19 3dxj s VAL 196 CO 0.01 0.00 0.69 -0.24 -0.31 0.00 0.00 175.10 175.25 3dxj n SER 197 N -1.02 -2.50 -0.07 4.85 2.88 -0.80 -4.84 113.62 112.13 3dxj n SER 197 Ca -0.08 -2.91 -0.15 0.00 -1.33 0.00 0.00 58.87 54.40 3dxj n SER 197 Cb 0.67 1.18 -0.05 0.00 -0.75 0.00 0.00 64.21 65.26 3dxj n SER 197 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 3dxj h ARG 198 N 4.75 0.80 -5.39 -1.46 2.43 -1.84 0.81 114.38 114.48 3dxj h ARG 198 Ca 0.04 -0.54 -0.10 0.00 -0.81 0.00 0.00 59.98 58.57 3dxj h ARG 198 Cb 1.03 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.64 3dxj h ARG 198 CO 0.20 1.16 0.29 -0.51 -1.51 0.00 0.00 179.97 179.60 3dxj s LEU 199 N -8.68 2.83 1.08 3.80 1.43 -1.26 -3.40 118.68 114.47 3dxj s LEU 199 Ca -0.11 -0.52 -0.20 0.00 -1.03 0.00 0.00 54.13 52.26 3dxj s LEU 199 Cb 0.09 -2.57 0.04 0.00 0.03 0.00 0.00 46.19 43.78 3dxj s LEU 199 CO 0.88 -3.77 -0.34 -0.67 0.23 0.00 0.00 176.35 172.67 3dxj n ASP 200 N 17.49 -2.58 0.00 2.29 -0.08 -1.26 -4.85 116.55 127.56 3dxj n ASP 200 Ca 0.44 -0.13 0.00 0.00 -1.51 0.00 0.00 54.79 53.59 3dxj n ASP 200 Cb 0.45 -0.82 0.00 0.00 2.34 0.00 0.00 41.12 43.09 3dxj n ASP 200 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3dxj n GLY 201 N 2.44 0.59 3.23 0.27 0.00 -1.06 -4.34 105.19 106.32 3dxj n GLY 201 Ca 0.00 -0.56 -0.12 0.00 0.00 0.00 0.00 46.02 45.35 3dxj n GLY 201 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dxj s VAL 202 N 0.00 -0.02 0.33 1.61 1.01 -1.08 -1.79 120.40 120.46 3dxj s VAL 202 Ca 0.00 0.07 -0.29 0.00 0.00 0.00 0.00 61.98 61.76 3dxj s VAL 202 Cb 0.00 -0.54 -0.12 0.00 0.00 0.00 0.00 36.38 35.72 3dxj s VAL 202 CO 0.00 0.03 1.47 0.00 0.00 0.00 0.00 175.10 176.60 3dxj n ALA 203 N 3.79 2.06 -2.95 5.51 0.00 -1.26 -3.22 120.51 124.44 3dxj n ALA 203 Ca -0.20 0.36 -0.16 0.00 0.00 0.00 0.00 53.44 53.44 3dxj n ALA 203 Cb 0.56 -2.38 -0.15 0.00 0.00 0.00 0.00 19.45 17.48 3dxj n ALA 203 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3dxj s LEU 204 N -1.16 1.86 0.33 0.00 2.96 0.61 -4.44 118.68 118.84 3dxj s LEU 204 Ca 0.58 -0.08 -0.28 0.00 -0.22 0.00 0.00 54.13 54.14 3dxj s LEU 204 Cb -0.52 -0.25 -0.09 0.00 0.50 0.00 0.00 46.19 45.82 3dxj s LEU 204 CO 0.58 0.03 1.14 -0.72 -1.32 0.00 0.00 176.35 176.05 3dxj s TYR 205 N 0.10 3.34 0.00 5.38 -0.85 -1.26 -2.30 117.35 121.76 3dxj s TYR 205 Ca -0.01 1.62 0.00 0.00 -0.52 0.00 0.00 57.07 58.16 3dxj s TYR 205 Cb -0.04 -3.34 0.00 0.00 0.38 0.00 0.00 41.96 38.96 3dxj s TYR 205 CO -0.00 -0.92 0.00 0.54 -1.52 0.00 0.00 175.55 173.65 3dxj n ARG 206 N 0.68 0.00 -3.90 -3.49 1.74 -1.22 -4.70 116.66 105.78 3dxj n ARG 206 Ca 0.01 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.79 3dxj n ARG 206 Cb 0.45 0.00 -0.14 0.00 -1.02 0.00 0.00 32.46 31.75 3dxj n ARG 206 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3dxj s PHE 207 N 0.00 2.93 1.08 -1.55 0.40 -1.23 -4.94 117.98 114.67 3dxj s PHE 207 Ca 0.00 -2.73 -0.12 0.00 -0.60 0.00 0.00 56.93 53.48 3dxj s PHE 207 Cb 0.00 -2.50 0.23 0.00 0.51 0.00 0.00 43.02 41.26 3dxj s PHE 207 CO 0.00 -0.85 1.06 -1.25 0.70 0.00 0.00 175.22 174.88 3dxj s PRO 208 N 0.61 -0.22 0.00 0.24 0.04 -1.25 0.26 135.00 134.68 3dxj s PRO 208 Ca 0.14 0.74 0.00 0.00 0.04 0.00 0.00 61.00 61.92 3dxj s PRO 208 Cb -0.22 -1.64 0.00 0.00 0.04 0.00 0.00 34.50 32.68 3dxj s PRO 208 CO -0.07 -3.23 0.00 0.54 0.04 0.00 0.00 177.00 174.28 3dxj n ARG 209 N -4.55 0.00 -5.11 4.56 1.74 0.81 -4.68 116.66 109.43 3dxj n ARG 209 Ca 0.04 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.81 3dxj n ARG 209 Cb 0.55 -0.06 -0.15 0.00 -1.02 0.00 0.00 32.46 31.78 3dxj n ARG 209 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3dxj s ARG 210 N -1.00 2.32 -0.20 5.56 0.52 -1.22 0.30 118.95 125.22 3dxj s ARG 210 Ca 0.00 -0.82 -0.05 0.00 -0.52 0.00 0.00 55.73 54.34 3dxj s ARG 210 Cb 0.00 -2.20 0.10 0.00 0.52 0.00 0.00 34.95 33.37 3dxj s ARG 210 CO 0.00 0.58 0.38 0.08 0.02 0.00 0.00 175.30 176.35 3dxj s VAL 211 N -0.63 -0.59 0.68 3.52 1.01 -0.70 0.95 120.40 124.64 3dxj s VAL 211 Ca 0.10 0.10 -0.12 0.00 0.00 0.00 0.00 61.98 62.05 3dxj s VAL 211 Cb -0.11 -0.68 0.00 0.00 0.00 0.00 0.00 36.38 35.59 3dxj s VAL 211 CO -0.00 0.00 1.06 -0.60 0.00 0.00 0.00 175.10 175.57 3dxj s ARG 212 N 2.55 2.95 -0.36 2.72 3.52 0.12 -2.10 118.95 128.36 3dxj s ARG 212 Ca 0.04 1.06 0.03 0.00 -0.13 0.00 0.00 55.73 56.73 3dxj s ARG 212 Cb -0.13 -1.99 0.15 0.00 -1.56 0.00 0.00 34.95 31.42 3dxj s ARG 212 CO -0.13 -1.09 0.36 0.08 -0.81 0.00 0.00 175.30 173.71 3dxj s VAL 213 N -2.85 -0.34 0.12 7.11 1.01 -0.22 -3.56 120.40 121.67 3dxj s VAL 213 Ca 0.60 -0.91 -0.30 0.00 0.00 0.00 0.00 61.98 61.37 3dxj s VAL 213 Cb -0.15 -0.73 -0.06 0.00 0.00 0.00 0.00 36.38 35.44 3dxj s VAL 213 CO 0.50 -0.57 1.01 -1.61 0.00 0.00 0.00 175.10 174.44 3dxj s GLU 214 N 1.58 4.65 -0.27 2.72 2.02 -1.25 -3.20 118.70 124.95 3dxj s GLU 214 Ca 0.16 1.54 0.03 0.00 0.02 0.00 0.00 54.97 56.72 3dxj s GLU 214 Cb -0.15 -3.35 0.06 0.00 0.10 0.00 0.00 34.13 30.79 3dxj s GLU 214 CO -0.08 0.13 -0.09 0.71 0.02 0.00 0.00 175.26 175.95 3dxj s TYR 215 N 0.05 3.31 0.31 1.61 2.02 -1.11 -2.47 117.35 121.07 3dxj s TYR 215 Ca 0.49 -2.37 -0.30 0.00 -0.37 0.00 0.00 57.07 54.52 3dxj s TYR 215 Cb -0.25 -2.02 -0.12 0.00 -0.40 0.00 0.00 41.96 39.17 3dxj s TYR 215 CO 0.31 -0.88 1.53 0.28 -1.57 0.00 0.00 175.55 175.22 3dxj n VAL 216 N 4.42 1.29 -3.83 0.71 0.31 -1.18 -3.59 118.33 116.46 3dxj n VAL 216 Ca -0.12 -0.32 -0.27 0.00 -0.01 0.00 0.00 64.34 63.61 3dxj n VAL 216 Cb 0.42 -1.88 -0.17 0.00 -0.91 0.00 0.00 33.84 31.30 3dxj n VAL 216 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3dxj s LYS 217 N -0.93 1.09 0.24 5.55 1.02 0.17 -4.85 119.74 122.03 3dxj s LYS 217 Ca 0.62 -0.34 0.10 0.00 0.02 0.00 0.00 55.97 56.37 3dxj s LYS 217 Cb -0.51 -1.77 -0.04 0.00 -0.52 0.00 0.00 37.83 34.98 3dxj s LYS 217 CO 0.53 -0.44 -0.11 0.15 -0.92 0.00 0.00 175.35 174.56 3dxj s LYS 218 N 1.76 1.98 -0.06 1.68 1.02 -1.25 -1.80 119.74 123.07 3dxj s LYS 218 Ca 0.02 -1.49 -0.30 0.00 0.02 0.00 0.00 55.97 54.21 3dxj s LYS 218 Cb -0.15 -2.02 0.10 0.00 -0.52 0.00 0.00 37.83 35.25 3dxj s LYS 218 CO -0.07 0.38 1.34 -2.00 -0.92 0.00 0.00 175.35 174.08 3dxj s GLU 219 N -3.32 0.17 0.08 1.68 2.12 -0.94 -5.00 118.70 113.50 3dxj s GLU 219 Ca 0.28 -0.11 0.09 0.00 0.36 0.00 0.00 54.97 55.59 3dxj s GLU 219 Cb -0.07 0.05 -0.03 0.00 0.26 0.00 0.00 34.13 34.34 3dxj s GLU 219 CO 0.16 -0.08 -0.23 0.50 -0.54 0.00 0.00 175.26 175.07 3dxj s ARG 220 N -2.03 1.38 0.07 4.30 3.52 -1.26 -1.57 118.95 123.36 3dxj s ARG 220 Ca 0.29 -1.14 0.02 0.00 -0.13 0.00 0.00 55.73 54.76 3dxj s ARG 220 Cb 0.01 -1.65 -0.03 0.00 -1.56 0.00 0.00 34.95 31.71 3dxj s ARG 220 CO -0.02 0.40 -0.07 0.00 -0.81 0.00 0.00 175.30 174.80 3dxj s ALA 221 N -0.98 0.73 -0.10 6.12 0.00 -1.25 -4.95 121.76 121.34 3dxj s ALA 221 Ca 0.10 -1.05 0.03 0.00 0.00 0.00 0.00 51.96 51.04 3dxj s ALA 221 Cb -0.10 0.11 -0.00 0.00 0.00 0.00 0.00 23.12 23.13 3dxj s ALA 221 CO 0.04 -0.14 -0.22 0.20 0.00 0.00 0.00 175.76 175.64 3dxj s GLY 222 N -2.32 1.38 0.00 0.00 0.00 -1.23 -3.24 107.32 101.90 3dxj s GLY 222 Ca 0.01 -0.96 0.00 0.00 0.00 0.00 0.00 44.72 43.77 3dxj s GLY 222 CO -0.03 -0.34 0.00 -0.10 0.00 0.00 0.00 173.10 172.63 3dxj n LEU 223 N 3.44 0.00 -3.26 0.66 7.94 0.56 -4.57 117.00 121.77 3dxj n LEU 223 Ca -0.19 0.00 -0.04 0.00 -1.11 0.00 0.00 56.01 54.67 3dxj n LEU 223 Cb 0.53 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.43 3dxj n LEU 223 CO 0.28 0.00 0.02 -0.13 -1.11 0.00 0.00 177.39 176.45 3dxj s ARG 224 N -0.57 0.45 0.00 1.96 3.00 -1.18 -2.05 118.95 120.56 3dxj s ARG 224 Ca 0.00 0.58 0.00 0.00 0.00 0.00 0.00 55.73 56.31 3dxj s ARG 224 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 34.95 34.88 3dxj s ARG 224 CO 0.00 -0.77 0.00 1.28 0.00 0.00 0.00 175.30 175.81 3dxj n LEU 225 N 5.39 0.00 -4.57 2.53 4.77 0.29 -4.71 117.00 120.70 3dxj n LEU 225 Ca -0.01 0.00 -0.39 0.00 -0.03 0.00 0.00 56.01 55.58 3dxj n LEU 225 Cb 0.51 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.57 3dxj n LEU 225 CO 0.02 0.00 1.94 -2.84 -1.33 0.00 0.00 177.39 175.18 3dxj s PRO 226 N -0.20 2.57 0.00 3.23 0.02 -1.26 0.21 135.00 139.58 3dxj s PRO 226 Ca 0.00 1.68 0.00 0.00 0.02 0.00 0.00 61.00 62.70 3dxj s PRO 226 Cb 0.00 -4.49 0.00 0.00 0.02 0.00 0.00 34.50 30.03 3dxj s PRO 226 CO 0.00 -2.74 0.25 -0.11 -0.33 0.00 0.00 177.00 174.07 3dxj n LEU 227 N 13.96 0.00 -1.56 -5.54 7.94 -0.87 -3.64 117.00 127.29 3dxj n LEU 227 Ca 0.33 0.25 0.00 0.00 -1.11 0.00 0.00 56.01 55.48 3dxj n LEU 227 Cb 0.50 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.45 3dxj n LEU 227 CO 0.69 0.00 0.50 0.00 -1.11 0.00 0.00 177.39 177.46 3dxj n ALA 228 N -1.79 2.71 -3.56 1.96 0.00 -1.26 -4.71 120.51 113.86 3dxj n ALA 228 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 3dxj n ALA 228 Cb 0.00 -1.34 -0.07 0.00 0.00 0.00 0.00 19.45 18.04 3dxj n ALA 228 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dxj s ALA 229 N 0.78 -1.71 -0.10 0.00 0.00 -1.24 -5.12 121.76 114.37 3dxj s ALA 229 Ca 0.00 1.64 -0.26 0.00 0.00 0.00 0.00 51.96 53.33 3dxj s ALA 229 Cb 0.00 -0.61 -0.02 0.00 0.00 0.00 0.00 23.12 22.48 3dxj s ALA 229 CO 0.00 -0.34 0.86 -0.46 0.00 0.00 0.00 175.76 175.81 3dxj s TRP 230 N -0.35 3.52 0.00 0.00 -0.00 -1.26 -4.79 118.94 116.06 3dxj s TRP 230 Ca -0.05 1.40 0.13 0.00 -0.00 0.00 0.00 56.10 57.58 3dxj s TRP 230 Cb -0.03 -3.01 0.22 0.00 -0.00 0.00 0.00 33.47 30.65 3dxj s TRP 230 CO 0.05 -0.11 1.05 0.28 -0.00 0.00 0.00 176.95 178.22 3dxj n VAL 231 N 4.31 0.00 -3.56 5.86 0.31 -1.26 -5.06 118.33 118.92 3dxj n VAL 231 Ca 0.04 -0.50 -0.01 0.00 -0.01 0.00 0.00 64.34 63.85 3dxj n VAL 231 Cb 0.50 0.72 -0.05 0.00 -0.91 0.00 0.00 33.84 34.09 3dxj n VAL 231 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 3dxj s GLU 232 N 0.00 0.41 0.12 5.55 -1.05 -1.26 -4.60 118.70 117.86 3dxj s GLU 232 Ca 0.17 0.83 0.09 0.00 -0.15 0.00 0.00 54.97 55.90 3dxj s GLU 232 Cb 0.20 0.29 -0.04 0.00 -0.44 0.00 0.00 34.13 34.13 3dxj s GLU 232 CO -0.09 -0.11 -0.16 0.15 0.95 0.00 0.00 175.26 176.01 3dxj s LYS 233 N 1.90 1.86 0.42 -4.83 1.02 -1.26 -5.03 119.74 113.82 3dxj s LYS 233 Ca -0.07 -1.15 0.15 0.00 0.02 0.00 0.00 55.97 54.92 3dxj s LYS 233 Cb -0.05 -2.15 1.03 0.00 -0.52 0.00 0.00 37.83 36.13 3dxj s LYS 233 CO -0.17 0.48 1.93 0.93 -0.92 0.00 0.00 175.35 177.61 3dxj h GLU 234 N 3.69 0.42 -1.70 1.68 4.39 -2.03 -2.34 114.58 118.68 3dxj h GLU 234 Ca -0.50 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.18 3dxj h GLU 234 Cb 1.17 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.72 3dxj h GLU 234 CO 0.47 0.28 0.00 0.00 -1.16 0.00 0.00 179.01 178.60 3dxj n ALA 235 N -2.52 1.77 -2.45 3.43 0.00 -1.26 -4.64 120.51 114.84 3dxj n ALA 235 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.27 3dxj n ALA 235 Cb 0.48 -1.00 -0.13 0.00 0.00 0.00 0.00 19.45 18.80 3dxj n ALA 235 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3dxj s TYR 236 N 0.70 2.54 0.00 0.00 4.12 -0.88 -5.13 117.35 118.69 3dxj s TYR 236 Ca 0.00 -0.27 0.00 0.00 0.02 0.00 0.00 57.07 56.82 3dxj s TYR 236 Cb 0.00 -1.46 0.00 0.00 -1.52 0.00 0.00 41.96 38.98 3dxj s TYR 236 CO 0.00 0.24 0.00 1.63 0.02 0.00 0.00 175.55 177.44 3dxj n LYS 237 N 1.59 0.18 -2.35 -0.62 4.76 -1.26 -4.91 118.16 115.54 3dxj n LYS 237 Ca -0.16 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 54.85 3dxj n LYS 237 Cb 0.52 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.69 3dxj n LYS 237 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 3dxj s PRO 238 N 1.43 3.54 0.00 1.97 0.04 -1.26 -3.93 135.00 136.80 3dxj s PRO 238 Ca 0.00 0.89 0.00 0.00 0.04 0.00 0.00 61.00 61.93 3dxj s PRO 238 Cb 0.00 -4.04 0.00 0.00 0.04 0.00 0.00 34.50 30.50 3dxj s PRO 238 CO 0.00 -1.60 0.00 0.41 0.04 0.00 0.00 177.00 175.85 3dxj n GLY 239 N 5.10 1.91 1.53 0.56 0.00 -1.14 -4.47 105.19 108.68 3dxj n GLY 239 Ca 0.16 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 3dxj n GLY 239 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dxj n GLU 240 N 0.00 1.14 -2.30 1.61 -0.58 -1.25 -4.81 120.64 114.44 3dxj n GLU 240 Ca 0.00 -1.57 -0.27 0.00 -0.42 0.00 0.00 57.16 54.90 3dxj n GLU 240 Cb 0.00 0.62 0.03 0.00 -0.57 0.00 0.00 31.44 31.53 3dxj n GLU 240 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 3dxj s ILE 241 N -2.00 3.61 0.00 -3.67 1.01 -1.26 0.18 121.20 119.06 3dxj s ILE 241 Ca 0.04 0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.78 3dxj s ILE 241 Cb 0.00 -3.45 0.00 0.00 0.01 0.00 0.00 42.46 39.02 3dxj s ILE 241 CO 0.03 -0.49 0.00 -0.11 0.00 0.00 0.00 174.94 174.37 3dxj n LEU 242 N -2.66 0.00 -5.01 2.97 7.94 -0.61 -4.77 117.00 114.86 3dxj n LEU 242 Ca 0.05 0.00 -0.22 0.00 -1.11 0.00 0.00 56.01 54.73 3dxj n LEU 242 Cb 0.58 0.00 0.08 0.00 0.53 0.00 0.00 43.42 44.61 3dxj n LEU 242 CO 0.54 0.00 0.45 0.00 -1.11 0.00 0.00 177.39 177.27 3dxj s ALA 243 N -2.34 4.10 -0.30 1.96 0.00 -1.26 -4.61 121.76 119.31 3dxj s ALA 243 Ca 0.00 -1.86 -0.16 0.00 0.00 0.00 0.00 51.96 49.95 3dxj s ALA 243 Cb 0.00 -1.80 0.16 0.00 0.00 0.00 0.00 23.12 21.48 3dxj s ALA 243 CO 0.00 -1.17 1.03 -2.00 0.00 0.00 0.00 175.76 173.62 3dxj s GLU 244 N -4.93 0.28 -0.98 0.00 2.12 -1.12 -1.69 118.70 112.38 3dxj s GLU 244 Ca 0.64 0.59 -0.16 0.00 0.36 0.00 0.00 54.97 56.40 3dxj s GLU 244 Cb -0.06 0.24 0.02 0.00 0.26 0.00 0.00 34.13 34.60 3dxj s GLU 244 CO 0.42 -0.08 0.62 1.28 -0.54 0.00 0.00 175.26 176.96 3dxj n LEU 245 N 4.33 -1.00 -4.11 2.70 4.77 -1.17 -4.56 117.00 117.96 3dxj n LEU 245 Ca -0.13 -1.11 -0.35 0.00 -0.03 0.00 0.00 56.01 54.39 3dxj n LEU 245 Cb 0.55 -1.55 -0.13 0.00 -2.33 0.00 0.00 43.42 39.96 3dxj n LEU 245 CO -0.01 0.59 -0.24 -2.16 -1.33 0.00 0.00 177.39 174.24 3dxj s PRO 246 N -6.06 2.01 -0.62 3.23 0.04 -1.26 -4.75 135.00 127.58 3dxj s PRO 246 Ca 0.22 -1.70 -0.27 0.00 0.04 0.00 0.00 61.00 59.29 3dxj s PRO 246 Cb -0.12 -3.43 0.03 0.00 0.04 0.00 0.00 34.50 31.03 3dxj s PRO 246 CO 0.92 -0.95 1.16 -2.00 0.04 0.00 0.00 177.00 176.17 3dxj s GLU 247 N 1.13 3.38 -0.02 4.56 -6.30 -1.26 -1.99 118.70 118.18 3dxj s GLU 247 Ca 0.06 -0.03 0.00 0.00 -2.50 0.00 0.00 54.97 52.50 3dxj s GLU 247 Cb -0.21 -4.08 0.02 0.00 0.00 0.00 0.00 34.13 29.86 3dxj s GLU 247 CO -0.04 -1.78 0.01 -1.25 0.02 0.00 0.00 175.26 172.22 3dxj s PRO 248 N 4.93 0.18 -0.43 4.30 0.04 -1.26 -5.11 135.00 137.64 3dxj s PRO 248 Ca 0.37 0.10 -0.29 0.00 0.04 0.00 0.00 61.00 61.22 3dxj s PRO 248 Cb -0.09 -0.37 0.02 0.00 0.04 0.00 0.00 34.50 34.09 3dxj s PRO 248 CO 0.21 -0.13 1.27 -0.47 0.04 0.00 0.00 177.00 177.92 3dxj s TYR 249 N 0.92 2.64 -0.41 0.56 5.04 -0.84 -4.83 117.35 120.42 3dxj s TYR 249 Ca -0.09 0.73 0.06 0.00 -2.44 0.00 0.00 57.07 55.33 3dxj s TYR 249 Cb -0.12 -4.32 0.17 0.00 0.35 0.00 0.00 41.96 38.04 3dxj s TYR 249 CO -0.02 -1.59 0.54 -1.17 -1.34 0.00 0.00 175.55 171.96 3dxj s LEU 250 N 4.85 -0.81 0.51 6.97 2.96 -1.26 -1.83 118.68 130.06 3dxj s LEU 250 Ca 0.54 -1.35 0.06 0.00 -0.22 0.00 0.00 54.13 53.15 3dxj s LEU 250 Cb -0.11 1.31 0.02 0.00 0.50 0.00 0.00 46.19 47.91 3dxj s LEU 250 CO 0.31 -0.18 0.34 0.12 -1.32 0.00 0.00 176.35 175.62 3dxj s PHE 251 N 1.44 1.90 -0.43 5.38 5.36 -1.26 -5.09 117.98 125.28 3dxj s PHE 251 Ca 0.19 -0.77 -0.10 0.00 -0.96 0.00 0.00 56.93 55.29 3dxj s PHE 251 Cb -0.07 -1.93 0.07 0.00 -0.34 0.00 0.00 43.02 40.75 3dxj s PHE 251 CO -0.06 -0.30 0.28 0.50 -1.46 0.00 0.00 175.22 174.18 3dxj s ARG 252 N -4.19 2.69 0.80 10.12 3.52 -1.26 -4.46 118.95 126.18 3dxj s ARG 252 Ca 0.35 -1.41 -0.10 0.00 -0.13 0.00 0.00 55.73 54.44 3dxj s ARG 252 Cb -0.01 -3.84 0.11 0.00 -1.56 0.00 0.00 34.95 29.64 3dxj s ARG 252 CO 0.21 -0.95 1.14 0.00 -0.81 0.00 0.00 175.30 174.89 3dxj s ALA 253 N 1.48 2.81 -0.30 6.12 0.00 -1.25 -4.45 121.76 126.17 3dxj s ALA 253 Ca 0.03 -0.98 0.19 0.00 0.00 0.00 0.00 51.96 51.21 3dxj s ALA 253 Cb -0.23 -2.71 0.48 0.00 0.00 0.00 0.00 23.12 20.66 3dxj s ALA 253 CO 0.03 -1.72 1.11 0.39 0.00 0.00 0.00 175.76 175.58 3dxj n GLU 254 N -3.25 1.46 -3.15 0.00 -0.58 -1.26 0.25 120.64 114.09 3dxj n GLU 254 Ca 0.10 -3.09 0.03 0.00 -0.42 0.00 0.00 57.16 53.79 3dxj n GLU 254 Cb 0.60 -1.18 -0.00 0.00 -0.57 0.00 0.00 31.44 30.29 3dxj n GLU 254 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 3dxj s GLU 255 N -2.92 0.59 0.56 3.49 2.56 -1.26 -4.98 118.70 116.73 3dxj s GLU 255 Ca 0.25 0.25 -0.00 0.00 0.00 0.00 0.00 54.97 55.47 3dxj s GLU 255 Cb 0.39 0.18 0.11 0.00 2.00 0.00 0.00 34.13 36.81 3dxj s GLU 255 CO -0.02 -0.99 0.77 -0.85 -0.56 0.00 0.00 175.26 173.60 3dxj n GLU 256 N 5.03 0.05 0.00 4.30 0.28 -1.26 -4.78 120.64 124.26 3dxj n GLU 256 Ca 0.07 -2.08 0.00 0.00 -0.16 0.00 0.00 57.16 54.99 3dxj n GLU 256 Cb 0.56 -0.51 0.00 0.00 1.43 0.00 0.00 31.44 32.91 3dxj n GLU 256 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3dxj n GLY 257 N -0.89 0.85 3.18 -1.84 0.00 -1.26 -4.02 105.19 101.21 3dxj n GLY 257 Ca 0.13 0.13 -0.40 0.00 0.00 0.00 0.00 46.02 45.88 3dxj n GLY 257 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dxj s VAL 258 N 1.16 4.11 0.29 1.61 1.01 -0.89 -4.51 120.40 123.18 3dxj s VAL 258 Ca 0.00 -2.16 -0.27 0.00 0.00 0.00 0.00 61.98 59.54 3dxj s VAL 258 Cb 0.00 -3.69 -0.14 0.00 0.00 0.00 0.00 36.38 32.55 3dxj s VAL 258 CO 0.00 -0.81 0.87 0.55 0.00 0.00 0.00 175.10 175.71 3dxj n VAL 259 N 4.44 2.00 -3.15 2.92 3.14 -1.06 -1.97 118.33 124.64 3dxj n VAL 259 Ca -0.01 -0.50 0.04 0.00 -2.96 0.00 0.00 64.34 60.91 3dxj n VAL 259 Cb 0.41 -0.78 -0.00 0.00 -1.06 0.00 0.00 33.84 32.40 3dxj n VAL 259 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 3dxj s GLU 260 N -1.49 0.51 -0.14 1.45 2.02 -0.65 -4.82 118.70 115.58 3dxj s GLU 260 Ca 0.60 0.66 -0.22 0.00 0.02 0.00 0.00 54.97 56.03 3dxj s GLU 260 Cb -0.72 0.34 -0.03 0.00 0.10 0.00 0.00 34.13 33.81 3dxj s GLU 260 CO 0.59 -0.79 0.66 -0.51 0.02 0.00 0.00 175.26 175.24 3dxj s LEU 261 N 2.86 4.22 0.51 1.80 1.43 -1.20 -0.49 118.68 127.81 3dxj s LEU 261 Ca 0.15 1.00 -0.01 0.00 -1.03 0.00 0.00 54.13 54.23 3dxj s LEU 261 Cb -0.11 -2.98 0.01 0.00 0.03 0.00 0.00 46.19 43.14 3dxj s LEU 261 CO -0.23 -0.21 0.76 -0.75 0.23 0.00 0.00 176.35 176.15 3dxj s LYS 262 N 1.42 2.87 0.15 1.70 2.20 0.14 -4.79 119.74 123.43 3dxj s LYS 262 Ca 0.33 -0.46 0.06 0.00 -0.36 0.00 0.00 55.97 55.54 3dxj s LYS 262 Cb -0.16 -2.47 -0.04 0.00 -1.51 0.00 0.00 37.83 33.65 3dxj s LYS 262 CO 0.13 -0.51 0.03 -1.83 -0.36 0.00 0.00 175.35 172.82 3dxj s GLU 263 N -4.72 2.55 0.09 4.03 -1.05 -1.26 -2.93 118.70 115.42 3dxj s GLU 263 Ca 0.52 -0.99 -0.01 0.00 -0.15 0.00 0.00 54.97 54.34 3dxj s GLU 263 Cb -0.10 -2.46 0.00 0.00 -0.44 0.00 0.00 34.13 31.13 3dxj s GLU 263 CO 0.40 0.48 0.14 1.28 0.95 0.00 0.00 175.26 178.50 3dxj n LEU 264 N -0.02 0.00 0.05 1.83 4.77 -1.11 -4.86 117.00 117.65 3dxj n LEU 264 Ca -0.10 -0.75 0.13 0.00 -0.03 0.00 0.00 56.01 55.26 3dxj n LEU 264 Cb 0.54 0.70 0.34 0.00 -2.33 0.00 0.00 43.42 42.67 3dxj n LEU 264 CO 0.40 -0.18 0.63 1.21 -1.33 0.00 0.00 177.39 178.12 3dxj n GLU 265 N -0.15 0.16 -2.69 3.23 2.13 -1.26 -4.05 120.64 118.01 3dxj n GLU 265 Ca -0.00 0.08 -0.05 0.00 0.66 0.00 0.00 57.16 57.86 3dxj n GLU 265 Cb 0.16 -1.64 0.11 0.00 0.27 0.00 0.00 31.44 30.34 3dxj n GLU 265 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 3dxj n GLU 266 N -1.90 1.30 -3.72 5.31 4.71 -1.26 -5.08 120.64 120.00 3dxj n GLU 266 Ca 0.05 -1.77 -0.13 0.00 -0.01 0.00 0.00 57.16 55.30 3dxj n GLU 266 Cb 0.40 -0.02 -0.08 0.00 -1.01 0.00 0.00 31.44 30.72 3dxj n GLU 266 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 3dxj s GLY 267 N -1.47 -0.20 -0.38 0.62 0.00 -1.26 -3.80 107.32 100.83 3dxj s GLY 267 Ca 0.17 0.32 0.02 0.00 0.00 0.00 0.00 44.72 45.23 3dxj s GLY 267 CO -0.10 0.09 0.31 0.00 0.00 0.00 0.00 173.10 173.40 3dxj s ALA 268 N -1.82 0.64 0.19 3.20 0.00 -1.23 -2.76 121.76 119.98 3dxj s ALA 268 Ca -0.10 -1.78 -0.23 0.00 0.00 0.00 0.00 51.96 49.85 3dxj s ALA 268 Cb -0.03 -1.74 -0.08 0.00 0.00 0.00 0.00 23.12 21.27 3dxj s ALA 268 CO 0.02 -2.08 0.75 0.12 0.00 0.00 0.00 175.76 174.57 3dxj s PHE 269 N 0.84 3.81 -0.23 0.00 5.36 -1.15 -3.76 117.98 122.86 3dxj s PHE 269 Ca 0.23 1.54 -0.07 0.00 -0.96 0.00 0.00 56.93 57.66 3dxj s PHE 269 Cb -0.12 -2.71 -0.03 0.00 -0.34 0.00 0.00 43.02 39.81 3dxj s PHE 269 CO -0.06 0.45 0.07 -1.17 -1.46 0.00 0.00 175.22 173.05 3dxj s LEU 270 N -1.45 3.58 -0.14 6.12 2.96 0.20 0.28 118.68 130.24 3dxj s LEU 270 Ca 0.38 -0.11 -0.11 0.00 -0.22 0.00 0.00 54.13 54.07 3dxj s LEU 270 Cb -0.21 -1.94 -0.05 0.00 0.50 0.00 0.00 46.19 44.50 3dxj s LEU 270 CO 0.24 0.03 0.23 -0.69 -1.32 0.00 0.00 176.35 174.84 3dxj s VAL 271 N 1.21 5.34 -0.80 1.68 1.01 0.35 -2.78 120.40 126.41 3dxj s VAL 271 Ca 0.05 0.42 0.02 0.00 0.00 0.00 0.00 61.98 62.46 3dxj s VAL 271 Cb -0.14 -3.54 0.21 0.00 0.00 0.00 0.00 36.38 32.91 3dxj s VAL 271 CO 0.03 0.49 0.73 0.18 0.00 0.00 0.00 175.10 176.53 3dxj n LEU 272 N 2.88 3.87 -3.45 3.92 4.77 -1.13 -1.64 117.00 126.22 3dxj n LEU 272 Ca -0.15 -5.23 -0.35 0.00 -0.03 0.00 0.00 56.01 50.25 3dxj n LEU 272 Cb 0.53 -0.91 -0.04 0.00 -2.33 0.00 0.00 43.42 40.67 3dxj n LEU 272 CO 0.36 1.74 2.20 0.54 -1.33 0.00 0.00 177.39 180.90 3dxj n ARG 273 N 1.82 1.71 -0.12 3.23 1.74 -0.83 -3.66 116.66 120.55 3dxj n ARG 273 Ca 0.23 -1.69 -0.11 0.00 -0.77 0.00 0.00 57.85 55.51 3dxj n ARG 273 Cb 0.37 -2.74 -0.05 0.00 -1.02 0.00 0.00 32.46 29.02 3dxj n ARG 273 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 3dxj h ARG 274 N 7.29 -0.34 0.00 5.56 2.43 -1.78 -2.37 114.38 125.17 3dxj h ARG 274 Ca 0.45 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.64 3dxj h ARG 274 Cb 0.47 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 3dxj h ARG 274 CO 1.76 -0.23 0.00 0.39 -1.51 0.00 0.00 179.97 180.38 3dxj n GLU 275 N -5.41 2.93 0.10 0.20 1.02 -1.26 -4.66 120.64 113.56 3dxj n GLU 275 Ca -0.01 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.08 3dxj n GLU 275 Cb 0.35 0.00 0.07 0.00 -0.02 0.00 0.00 31.44 31.85 3dxj n GLU 275 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 3dxj h ASP 276 N 0.00 0.13 -4.26 1.62 3.32 -1.98 -3.47 116.42 111.78 3dxj h ASP 276 Ca 0.00 -0.09 -0.52 0.00 0.02 0.00 0.00 57.03 56.44 3dxj h ASP 276 Cb 0.00 -0.04 0.14 0.00 0.22 0.00 0.00 39.33 39.65 3dxj h ASP 276 CO 0.00 0.82 0.32 -0.70 -1.72 0.00 0.00 179.24 177.96 3dxj s GLU 277 N -3.42 2.07 -0.98 3.56 2.12 -1.26 -4.92 118.70 115.86 3dxj s GLU 277 Ca -0.02 1.39 -0.23 0.00 0.36 0.00 0.00 54.97 56.47 3dxj s GLU 277 Cb 0.11 -1.86 0.05 0.00 0.26 0.00 0.00 34.13 32.70 3dxj s GLU 277 CO 0.80 -1.82 1.41 -1.25 -0.54 0.00 0.00 175.26 173.86 3dxj s PRO 278 N -4.53 3.54 0.22 4.30 0.04 -1.26 -4.46 135.00 132.85 3dxj s PRO 278 Ca 0.66 -1.06 0.05 0.00 0.04 0.00 0.00 61.00 60.68 3dxj s PRO 278 Cb -0.21 -5.20 0.18 0.00 0.04 0.00 0.00 34.50 29.31 3dxj s PRO 278 CO 0.52 -2.18 1.51 0.28 0.04 0.00 0.00 177.00 177.17 3dxj h VAL 279 N 6.66 1.44 -1.75 -0.36 2.07 -1.92 -3.47 116.25 118.91 3dxj h VAL 279 Ca 0.14 -2.22 0.02 0.00 0.82 0.00 0.00 66.70 65.46 3dxj h VAL 279 Cb 1.02 2.18 -0.22 0.00 -1.52 0.00 0.00 31.29 32.74 3dxj h VAL 279 CO 1.39 0.65 0.37 0.00 0.02 0.00 0.00 177.57 180.00 3dxj s ALA 280 N -3.55 -1.88 -0.09 1.67 0.00 -1.25 -4.97 121.76 111.69 3dxj s ALA 280 Ca -0.03 1.64 0.03 0.00 0.00 0.00 0.00 51.96 53.59 3dxj s ALA 280 Cb 0.11 -0.74 0.01 0.00 0.00 0.00 0.00 23.12 22.50 3dxj s ALA 280 CO 0.80 -0.31 -0.17 0.95 0.00 0.00 0.00 175.76 177.03 3dxj s THR 281 N -0.62 1.53 -0.10 0.00 -4.23 -1.26 -2.82 115.64 108.13 3dxj s THR 281 Ca -0.03 -0.69 -0.04 0.00 -1.18 0.00 0.00 61.69 59.75 3dxj s THR 281 Cb -0.02 -1.37 0.05 0.00 1.34 0.00 0.00 72.50 72.50 3dxj s THR 281 CO 0.02 0.44 0.21 -0.31 -0.54 0.00 0.00 174.62 174.45 3dxj s TYR 282 N 0.70 -0.29 0.10 3.99 1.51 -1.12 -3.50 117.35 118.74 3dxj s TYR 282 Ca -0.13 0.74 0.09 0.00 -1.01 0.00 0.00 57.07 56.76 3dxj s TYR 282 Cb -0.16 -0.06 -0.04 0.00 -0.11 0.00 0.00 41.96 41.60 3dxj s TYR 282 CO 0.03 -0.26 -0.20 0.12 -1.11 0.00 0.00 175.55 174.13 3dxj s PHE 283 N 1.71 2.49 -0.34 2.71 5.36 -1.26 0.61 117.98 129.25 3dxj s PHE 283 Ca -0.05 -0.29 0.00 0.00 -0.96 0.00 0.00 56.93 55.63 3dxj s PHE 283 Cb -0.11 -1.36 0.11 0.00 -0.34 0.00 0.00 43.02 41.32 3dxj s PHE 283 CO -0.07 0.33 0.13 -0.51 -1.46 0.00 0.00 175.22 173.64 3dxj s LEU 284 N -1.90 2.36 0.91 6.12 1.43 -1.25 -4.98 118.68 121.37 3dxj s LEU 284 Ca 0.16 -1.89 -0.11 0.00 -1.03 0.00 0.00 54.13 51.26 3dxj s LEU 284 Cb -0.10 -0.90 0.14 0.00 0.03 0.00 0.00 46.19 45.35 3dxj s LEU 284 CO 0.08 -0.38 1.09 -2.16 0.23 0.00 0.00 176.35 175.21 3dxj s PRO 285 N 1.31 1.13 -0.37 1.29 0.04 -1.26 -4.03 135.00 133.10 3dxj s PRO 285 Ca 0.12 0.88 -0.42 0.00 0.04 0.00 0.00 61.00 61.62 3dxj s PRO 285 Cb -0.19 -1.79 -0.18 0.00 0.04 0.00 0.00 34.50 32.38 3dxj s PRO 285 CO -0.18 -2.35 1.37 0.28 0.04 0.00 0.00 177.00 176.16 3dxj n VAL 286 N -3.96 0.00 0.00 -0.36 0.31 0.54 -1.76 118.33 113.10 3dxj n VAL 286 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 3dxj n VAL 286 Cb 0.55 -0.37 0.00 0.00 -0.91 0.00 0.00 33.84 33.11 3dxj n VAL 286 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3dxj n GLY 287 N 3.21 3.28 3.56 2.92 0.00 -1.26 -0.99 105.19 115.91 3dxj n GLY 287 Ca 0.26 -0.82 -0.39 0.00 0.00 0.00 0.00 46.02 45.08 3dxj n GLY 287 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3dxj s MET 288 N 0.00 3.79 -0.63 1.61 0.00 -0.72 -4.40 119.30 118.94 3dxj s MET 288 Ca 0.00 -0.43 -0.28 0.00 0.00 0.00 0.00 55.69 54.98 3dxj s MET 288 Cb 0.00 -3.68 0.03 0.00 0.00 0.00 0.00 34.83 31.18 3dxj s MET 288 CO 0.00 -0.26 1.26 0.99 0.00 0.00 0.00 175.02 177.01 3dxj s THR 289 N 1.74 3.88 -0.97 10.11 2.01 -1.26 -4.76 115.64 126.38 3dxj s THR 289 Ca 0.07 0.70 -0.24 0.00 0.31 0.00 0.00 61.69 62.53 3dxj s THR 289 Cb -0.16 -4.74 0.03 0.00 0.01 0.00 0.00 72.50 67.64 3dxj s THR 289 CO 0.10 -1.48 1.52 -2.16 -0.69 0.00 0.00 174.62 171.91 3dxj s PRO 290 N 5.32 3.38 0.00 4.92 0.04 -1.26 -4.12 135.00 143.28 3dxj s PRO 290 Ca 0.42 -0.88 -0.30 0.00 0.04 0.00 0.00 61.00 60.28 3dxj s PRO 290 Cb -0.08 -5.19 -0.08 0.00 0.04 0.00 0.00 34.50 29.19 3dxj s PRO 290 CO 0.22 -2.40 1.82 -1.17 0.04 0.00 0.00 177.00 175.52 3dxj s LEU 291 N 5.92 4.39 0.00 -3.56 2.96 -1.26 -4.92 118.68 122.20 3dxj s LEU 291 Ca 0.49 2.49 0.00 0.00 -0.22 0.00 0.00 54.13 56.89 3dxj s LEU 291 Cb -0.02 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.14 3dxj s LEU 291 CO -0.06 -0.99 0.00 0.52 -1.32 0.00 0.00 176.35 174.50 3dxj n VAL 292 N 5.47 0.00 1.47 1.68 0.31 -1.26 -3.87 118.33 122.13 3dxj n VAL 292 Ca 0.19 0.07 0.14 0.00 -0.01 0.00 0.00 64.34 64.72 3dxj n VAL 292 Cb 0.42 -0.76 0.75 0.00 -0.91 0.00 0.00 33.84 33.34 3dxj n VAL 292 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 3dxj n VAL 293 N 0.00 0.07 -2.68 2.52 0.24 -1.26 -4.73 118.33 112.49 3dxj n VAL 293 Ca 0.00 0.02 -0.43 0.00 -2.04 0.00 0.00 64.34 61.89 3dxj n VAL 293 Cb 0.00 -0.56 -0.03 0.00 -1.47 0.00 0.00 33.84 31.78 3dxj n VAL 293 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 3dxj s HIS 294 N -2.38 2.80 0.00 6.34 4.02 -1.25 -4.38 115.29 120.44 3dxj s HIS 294 Ca 0.32 0.50 0.00 0.00 1.02 0.00 0.00 55.06 56.90 3dxj s HIS 294 Cb 0.19 -4.30 0.00 0.00 -1.02 0.00 0.00 32.58 27.45 3dxj s HIS 294 CO 0.39 -1.30 0.00 0.41 1.02 0.00 0.00 174.74 175.26 3dxj n GLY 295 N 4.94 0.00 2.89 -2.22 0.00 -1.26 -3.17 105.19 106.37 3dxj n GLY 295 Ca 0.09 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.00 3dxj n GLY 295 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dxj s GLU 296 N 0.00 0.35 0.20 1.61 8.01 -1.26 -4.16 118.70 123.45 3dxj s GLU 296 Ca 0.00 0.33 0.00 0.00 0.01 0.00 0.00 54.97 55.31 3dxj s GLU 296 Cb 0.00 -0.49 0.00 0.00 -4.31 0.00 0.00 34.13 29.33 3dxj s GLU 296 CO 0.00 -0.79 0.00 1.51 0.01 0.00 0.00 175.26 175.99 3dxj n ILE 297 N 5.35 0.00 -2.67 -1.63 0.00 -1.26 -4.94 119.36 114.21 3dxj n ILE 297 Ca -0.02 0.00 0.01 0.00 0.00 0.00 0.00 62.75 62.74 3dxj n ILE 297 Cb 0.49 -0.23 0.04 0.00 0.00 0.00 0.00 39.64 39.94 3dxj n ILE 297 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 3dxj n VAL 298 N -2.98 0.78 -3.55 9.51 0.31 -1.26 -5.03 118.33 116.11 3dxj n VAL 298 Ca 0.00 -2.15 -0.26 0.00 -0.01 0.00 0.00 64.34 61.91 3dxj n VAL 298 Cb 0.00 1.11 0.01 0.00 -0.91 0.00 0.00 33.84 34.06 3dxj n VAL 298 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3dxj n GLU 299 N -0.15 -1.73 -0.59 5.55 1.02 -1.26 -4.93 120.64 118.55 3dxj n GLU 299 Ca 0.07 1.17 0.06 0.00 -0.02 0.00 0.00 57.16 58.45 3dxj n GLU 299 Cb 0.95 -2.81 0.20 0.00 -0.02 0.00 0.00 31.44 29.76 3dxj n GLU 299 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3dxj n LYS 300 N -1.50 1.55 -2.73 3.49 5.02 -1.21 -4.41 118.16 118.37 3dxj n LYS 300 Ca -0.17 -3.26 -0.19 0.00 -2.02 0.00 0.00 58.31 52.67 3dxj n LYS 300 Cb 0.66 -1.59 0.00 0.00 -0.02 0.00 0.00 35.03 34.08 3dxj n LYS 300 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dxj n GLY 301 N -1.11 -0.50 0.45 0.72 0.00 0.14 -3.95 105.19 100.93 3dxj n GLY 301 Ca 0.19 0.05 0.31 0.00 0.00 0.00 0.00 46.02 46.56 3dxj n GLY 301 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3dxj h GLN 302 N -0.52 0.21 -5.60 1.61 4.15 -1.81 -3.35 115.11 109.79 3dxj h GLN 302 Ca -0.43 -0.01 -0.39 0.00 0.77 0.00 0.00 58.65 58.59 3dxj h GLN 302 Cb 1.31 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.96 3dxj h GLN 302 CO 0.50 0.14 1.34 -1.25 -1.93 0.00 0.00 178.83 177.62 3dxj s PRO 303 N -5.34 2.05 -0.09 -2.39 0.04 -1.19 -4.37 135.00 123.71 3dxj s PRO 303 Ca -0.08 1.17 -0.06 0.00 0.04 0.00 0.00 61.00 62.08 3dxj s PRO 303 Cb 0.27 -4.61 -0.23 0.00 0.04 0.00 0.00 34.50 29.97 3dxj s PRO 303 CO 0.81 -3.44 3.26 1.28 0.04 0.00 0.00 177.00 178.95 3dxj n LEU 304 N 16.15 4.88 -4.70 -3.56 4.77 -1.26 -4.87 117.00 128.40 3dxj n LEU 304 Ca 0.37 -2.96 -0.37 0.00 -0.03 0.00 0.00 56.01 53.02 3dxj n LEU 304 Cb 0.53 -1.28 0.07 0.00 -2.33 0.00 0.00 43.42 40.41 3dxj n LEU 304 CO 0.68 1.48 0.82 0.00 -1.33 0.00 0.00 177.39 179.04 3dxj n ALA 305 N 2.63 0.88 -3.78 -1.18 0.00 -1.26 -4.94 120.51 112.86 3dxj n ALA 305 Ca 0.40 -0.02 -0.35 0.00 0.00 0.00 0.00 53.44 53.47 3dxj n ALA 305 Cb 0.78 -2.28 -0.13 0.00 0.00 0.00 0.00 19.45 17.83 3dxj n ALA 305 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3dxj s GLU 306 N -3.31 2.01 -0.44 0.00 2.02 -1.26 -4.33 118.70 113.40 3dxj s GLU 306 Ca 0.81 -1.72 -0.28 0.00 0.02 0.00 0.00 54.97 53.80 3dxj s GLU 306 Cb -0.38 -3.45 0.03 0.00 0.10 0.00 0.00 34.13 30.43 3dxj s GLU 306 CO 0.42 -0.96 1.08 0.00 0.02 0.00 0.00 175.26 175.82 3dxj s ALA 307 N 1.13 3.25 -0.00 5.21 0.00 -0.76 -4.37 121.76 126.22 3dxj s ALA 307 Ca 0.06 -0.44 0.00 0.00 0.00 0.00 0.00 51.96 51.58 3dxj s ALA 307 Cb -0.22 -3.79 0.00 0.00 0.00 0.00 0.00 23.12 19.11 3dxj s ALA 307 CO -0.04 -2.04 0.00 0.15 0.00 0.00 0.00 175.76 173.83 3dxj s LYS 308 N 4.13 0.00 0.23 0.00 -0.14 -1.26 -2.40 119.74 120.31 3dxj s LYS 308 Ca 0.45 0.00 0.00 0.00 -1.36 0.00 0.00 55.97 55.06 3dxj s LYS 308 Cb -0.09 -0.01 0.00 0.00 -1.68 0.00 0.00 37.83 36.06 3dxj s LYS 308 CO 0.27 -0.00 0.00 0.41 -0.76 0.00 0.00 175.35 175.27 3dxj n GLY 309 N 3.10 0.75 3.54 -3.33 0.00 -1.26 -4.37 105.19 103.62 3dxj n GLY 309 Ca -0.12 -0.69 -0.32 0.00 0.00 0.00 0.00 46.02 44.88 3dxj n GLY 309 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3dxj n LEU 310 N 0.00 1.42 -3.78 0.99 4.77 -1.26 -2.79 117.00 116.35 3dxj n LEU 310 Ca 0.00 -0.51 -0.42 0.00 -0.03 0.00 0.00 56.01 55.05 3dxj n LEU 310 Cb 0.00 -1.35 0.02 0.00 -2.33 0.00 0.00 43.42 39.76 3dxj n LEU 310 CO 0.00 -1.53 1.33 0.18 -1.33 0.00 0.00 177.39 176.04 3dxj n LEU 311 N 14.23 7.02 -4.44 2.23 4.77 -0.68 -4.58 117.00 135.55 3dxj n LEU 311 Ca 0.48 -5.32 -0.29 0.00 -0.03 0.00 0.00 56.01 50.85 3dxj n LEU 311 Cb 0.37 -1.21 0.23 0.00 -2.33 0.00 0.00 43.42 40.48 3dxj n LEU 311 CO 0.77 1.91 0.27 0.54 -1.33 0.00 0.00 177.39 179.55 3dxj n ARG 312 N 0.48 -2.14 -4.78 3.23 1.74 -0.16 -1.58 116.66 113.45 3dxj n ARG 312 Ca 0.39 -0.60 -0.31 0.00 -0.77 0.00 0.00 57.85 56.56 3dxj n ARG 312 Cb 0.29 -2.07 -0.13 0.00 -1.02 0.00 0.00 32.46 29.53 3dxj n ARG 312 CO 0.00 0.00 0.00 1.41 -1.52 0.00 0.00 177.63 177.52 3dxj s MET 313 N -4.18 2.21 0.41 5.56 -2.45 0.47 -0.34 119.30 120.98 3dxj s MET 313 Ca 0.65 -0.89 -0.24 0.00 -1.25 0.00 0.00 55.69 53.96 3dxj s MET 313 Cb -0.22 -2.23 -0.11 0.00 1.25 0.00 0.00 34.83 33.51 3dxj s MET 313 CO 0.65 0.57 1.00 -2.30 1.05 0.00 0.00 175.02 175.98 3dxj n PRO 314 N 1.84 1.33 0.00 4.11 -0.02 -1.26 -3.31 135.00 137.68 3dxj n PRO 314 Ca -0.16 0.48 0.14 0.00 -2.02 0.00 0.00 63.50 61.94 3dxj n PRO 314 Cb 0.52 -2.02 0.68 0.00 -0.02 0.00 0.00 33.50 32.66 3dxj n PRO 314 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3dxj n ARG 315 N 0.19 0.22 0.15 -0.52 3.00 -1.26 -2.90 116.66 115.54 3dxj n ARG 315 Ca 0.09 -0.01 0.13 0.00 -0.01 0.00 0.00 57.85 58.06 3dxj n ARG 315 Cb 0.39 -1.50 0.41 0.00 0.00 0.00 0.00 32.46 31.76 3dxj n ARG 315 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.63 177.07 3dxj h GLN 316 N 0.02 0.00 -4.40 5.56 3.07 -1.89 -3.42 115.11 114.05 3dxj h GLN 316 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 58.65 58.17 3dxj h GLN 316 Cb 0.40 0.00 -0.37 0.00 0.08 0.00 0.00 27.48 27.59 3dxj h GLN 316 CO 0.00 0.00 -0.81 0.54 0.09 0.00 0.00 178.83 178.65 3dxj s VAL 317 N -3.24 1.29 1.01 1.86 0.11 -1.25 -4.46 120.40 115.72 3dxj s VAL 317 Ca 0.07 -0.54 -0.12 0.00 -2.93 0.00 0.00 61.98 58.46 3dxj s VAL 317 Cb 0.10 -1.30 0.19 0.00 -1.53 0.00 0.00 36.38 33.84 3dxj s VAL 317 CO 0.55 0.33 1.08 -0.60 -3.33 0.00 0.00 175.10 173.14 3dxj s ARG 318 N 1.59 0.36 0.04 1.54 3.52 -0.91 -4.12 118.95 120.97 3dxj s ARG 318 Ca 0.04 0.71 -0.27 0.00 -0.13 0.00 0.00 55.73 56.07 3dxj s ARG 318 Cb -0.14 -1.71 0.09 0.00 -1.56 0.00 0.00 34.95 31.63 3dxj s ARG 318 CO -0.09 -2.83 0.84 0.00 -0.81 0.00 0.00 175.30 172.41 3dxj s ALA 319 N -2.83 -1.77 0.00 6.12 0.00 -1.26 -3.08 121.76 118.94 3dxj s ALA 319 Ca 0.66 0.85 0.00 0.00 0.00 0.00 0.00 51.96 53.47 3dxj s ALA 319 Cb -0.20 0.52 0.00 0.00 0.00 0.00 0.00 23.12 23.44 3dxj s ALA 319 CO 0.59 -0.73 0.00 0.00 0.00 0.00 0.00 175.76 175.62 3dxj n ALA 320 N -0.28 0.00 -3.79 0.00 0.00 -1.26 -4.76 120.51 110.42 3dxj n ALA 320 Ca -0.10 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.05 3dxj n ALA 320 Cb 0.62 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.08 3dxj n ALA 320 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3dxj n GLN 321 N 0.00 -1.15 -2.73 0.00 6.02 -1.26 -2.65 117.38 115.62 3dxj n GLN 321 Ca 0.00 0.61 -0.35 0.00 -0.01 0.00 0.00 57.00 57.26 3dxj n GLN 321 Cb 0.00 -2.88 -0.06 0.00 1.02 0.00 0.00 30.24 28.32 3dxj n GLN 321 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3dxj s VAL 322 N -3.18 4.16 -0.43 5.09 0.11 -1.26 -4.09 120.40 120.80 3dxj s VAL 322 Ca 0.18 1.50 0.02 0.00 -2.93 0.00 0.00 61.98 60.75 3dxj s VAL 322 Cb -0.09 -3.69 0.14 0.00 -1.53 0.00 0.00 36.38 31.20 3dxj s VAL 322 CO 0.90 -0.14 0.24 -1.61 -3.33 0.00 0.00 175.10 171.15 3dxj s GLU 323 N -2.80 1.18 -0.04 1.54 2.02 -0.93 -4.93 118.70 114.74 3dxj s GLU 323 Ca 0.59 -1.91 -0.22 0.00 0.02 0.00 0.00 54.97 53.44 3dxj s GLU 323 Cb -0.14 -2.18 -0.04 0.00 0.10 0.00 0.00 34.13 31.86 3dxj s GLU 323 CO 0.19 -1.17 0.66 0.00 0.02 0.00 0.00 175.26 174.96 3dxj s ALA 324 N 0.45 3.39 -0.27 5.21 0.00 -1.26 -3.64 121.76 125.64 3dxj s ALA 324 Ca 0.18 0.10 0.02 0.00 0.00 0.00 0.00 51.96 52.26 3dxj s ALA 324 Cb -0.24 -2.88 0.07 0.00 0.00 0.00 0.00 23.12 20.07 3dxj s ALA 324 CO 0.00 -0.01 -0.05 -1.83 0.00 0.00 0.00 175.76 173.87 3dxj s GLU 325 N 0.45 1.79 -0.40 0.00 -1.05 -1.22 -4.97 118.70 113.30 3dxj s GLU 325 Ca 0.35 -1.31 -0.29 0.00 -0.15 0.00 0.00 54.97 53.57 3dxj s GLU 325 Cb -0.18 -2.79 0.02 0.00 -0.44 0.00 0.00 34.13 30.73 3dxj s GLU 325 CO 0.18 -0.67 1.21 -2.00 0.95 0.00 0.00 175.26 174.93 3dxj s GLU 326 N 1.20 3.80 -0.41 -4.83 2.56 -1.26 -4.14 118.70 115.63 3dxj s GLU 326 Ca -0.03 0.88 0.03 0.00 0.00 0.00 0.00 54.97 55.85 3dxj s GLU 326 Cb -0.19 -3.89 0.28 0.00 2.00 0.00 0.00 34.13 32.32 3dxj s GLU 326 CO -0.07 -1.27 1.11 -0.85 -0.56 0.00 0.00 175.26 173.63 3dxj n GLU 327 N 7.58 0.50 0.00 4.30 0.28 -1.26 -5.11 120.64 126.93 3dxj n GLU 327 Ca 0.13 -1.26 0.00 0.00 -0.16 0.00 0.00 57.16 55.88 3dxj n GLU 327 Cb 0.48 -0.80 0.00 0.00 1.43 0.00 0.00 31.44 32.55 3dxj n GLU 327 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3dxj n GLY 328 N 1.27 1.43 1.11 -1.84 0.00 -1.26 -4.87 105.19 101.02 3dxj n GLY 328 Ca 0.04 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.41 3dxj n GLY 328 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dxj n GLU 329 N 0.00 0.00 -4.28 1.61 1.02 -1.26 -4.82 120.64 112.91 3dxj n GLU 329 Ca 0.00 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.82 3dxj n GLU 329 Cb 0.00 -0.42 -0.16 0.00 -0.02 0.00 0.00 31.44 30.84 3dxj n GLU 329 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3dxj s THR 330 N -1.95 1.86 -0.19 2.62 -4.23 -1.25 -2.05 115.64 110.46 3dxj s THR 330 Ca 0.00 -0.83 -0.29 0.00 -1.18 0.00 0.00 61.69 59.39 3dxj s THR 330 Cb 0.00 -1.69 -0.05 0.00 1.34 0.00 0.00 72.50 72.10 3dxj s THR 330 CO 0.00 0.51 2.04 -0.69 -0.54 0.00 0.00 174.62 175.94 3dxj s VAL 331 N 1.18 3.16 -0.33 2.29 1.01 0.57 -4.26 120.40 124.02 3dxj s VAL 331 Ca 0.00 0.17 -0.29 0.00 0.00 0.00 0.00 61.98 61.87 3dxj s VAL 331 Cb -0.14 -3.19 -0.01 0.00 0.00 0.00 0.00 36.38 33.05 3dxj s VAL 331 CO -0.08 -0.10 1.49 -0.47 0.00 0.00 0.00 175.10 175.95 3dxj s TYR 332 N 7.01 2.31 0.27 5.22 5.04 -1.22 0.11 117.35 136.08 3dxj s TYR 332 Ca 0.92 0.68 0.06 0.00 -2.44 0.00 0.00 57.07 56.29 3dxj s TYR 332 Cb -0.32 -4.11 -0.03 0.00 0.35 0.00 0.00 41.96 37.85 3dxj s TYR 332 CO 0.35 -2.30 0.30 -0.51 -1.34 0.00 0.00 175.55 172.05 3dxj s LEU 333 N 5.34 4.00 -0.14 6.97 1.43 -0.87 -3.41 118.68 132.00 3dxj s LEU 333 Ca 0.65 -0.15 -0.10 0.00 -1.03 0.00 0.00 54.13 53.51 3dxj s LEU 333 Cb -0.18 -2.57 0.04 0.00 0.03 0.00 0.00 46.19 43.51 3dxj s LEU 333 CO 0.30 -0.13 0.34 0.42 0.23 0.00 0.00 176.35 177.51 3dxj s THR 334 N -2.10 -0.02 0.00 5.49 -4.23 -1.24 0.21 115.64 113.75 3dxj s THR 334 Ca 0.36 0.06 0.00 0.00 -1.18 0.00 0.00 61.69 60.93 3dxj s THR 334 Cb -0.08 -0.50 0.00 0.00 1.34 0.00 0.00 72.50 73.26 3dxj s THR 334 CO 0.27 0.03 0.00 0.18 -0.54 0.00 0.00 174.62 174.56 3dxj n LEU 335 N 3.62 0.00 -4.67 4.79 4.32 -1.20 -2.18 117.00 121.68 3dxj n LEU 335 Ca -0.19 0.00 -0.37 0.00 -0.02 0.00 0.00 56.01 55.44 3dxj n LEU 335 Cb 0.56 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 42.27 3dxj n LEU 335 CO 0.13 0.00 -0.15 0.12 -1.22 0.00 0.00 177.39 176.27 3dxj s PHE 336 N -6.45 3.33 -0.59 -1.77 5.36 -1.08 -3.82 117.98 112.95 3dxj s PHE 336 Ca 0.00 0.27 -0.03 0.00 -0.96 0.00 0.00 56.93 56.21 3dxj s PHE 336 Cb 0.00 -2.28 0.15 0.00 -0.34 0.00 0.00 43.02 40.55 3dxj s PHE 336 CO 0.00 0.08 0.41 -0.51 -1.46 0.00 0.00 175.22 173.73 3dxj s LEU 337 N 1.02 5.29 -0.28 6.12 1.43 -0.61 -4.01 118.68 127.65 3dxj s LEU 337 Ca 0.09 -2.69 -0.05 0.00 -1.03 0.00 0.00 54.13 50.45 3dxj s LEU 337 Cb -0.13 -1.86 0.02 0.00 0.03 0.00 0.00 46.19 44.24 3dxj s LEU 337 CO 0.04 -0.41 0.04 -1.61 0.23 0.00 0.00 176.35 174.64 3dxj s GLU 338 N 0.19 2.98 0.04 1.70 8.01 -1.18 -2.22 118.70 128.23 3dxj s GLU 338 Ca 0.15 -0.92 -0.10 0.00 0.01 0.00 0.00 54.97 54.11 3dxj s GLU 338 Cb -0.21 -3.27 0.01 0.00 -4.31 0.00 0.00 34.13 26.35 3dxj s GLU 338 CO -0.04 -0.45 0.21 1.67 0.01 0.00 0.00 175.26 176.67 3dxj s TRP 339 N 1.44 0.04 0.41 1.61 1.48 -0.74 -2.13 118.94 121.04 3dxj s TRP 339 Ca 0.01 -0.26 0.08 0.00 -1.06 0.00 0.00 56.10 54.87 3dxj s TRP 339 Cb -0.17 -0.01 -0.01 0.00 -1.16 0.00 0.00 33.47 32.12 3dxj s TRP 339 CO 0.01 -0.45 0.47 0.95 -4.06 0.00 0.00 176.95 173.87 3dxj s THR 340 N -2.66 3.01 -0.31 0.66 -4.23 -1.26 0.45 115.64 111.30 3dxj s THR 340 Ca -0.04 -1.15 0.06 0.00 -1.18 0.00 0.00 61.69 59.37 3dxj s THR 340 Cb -0.01 -3.05 0.19 0.00 1.34 0.00 0.00 72.50 70.98 3dxj s THR 340 CO -0.04 -0.03 0.57 -0.70 -0.54 0.00 0.00 174.62 173.88 3dxj s GLU 341 N -4.23 0.59 0.89 3.99 2.12 -1.24 -4.89 118.70 115.93 3dxj s GLU 341 Ca 0.51 0.34 -0.13 0.00 0.36 0.00 0.00 54.97 56.05 3dxj s GLU 341 Cb -0.07 0.14 0.05 0.00 0.26 0.00 0.00 34.13 34.51 3dxj s GLU 341 CO 0.31 -1.07 0.69 -0.35 -0.54 0.00 0.00 175.26 174.29 3dxj n PRO 342 N 5.22 -0.17 -2.17 4.30 -0.04 -1.26 -2.74 135.00 138.15 3dxj n PRO 342 Ca 0.06 0.01 -0.03 0.00 -0.04 0.00 0.00 63.50 63.49 3dxj n PRO 342 Cb 0.54 -2.04 0.01 0.00 -0.04 0.00 0.00 33.50 31.96 3dxj n PRO 342 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3dxj n LYS 343 N -2.31 0.43 -3.52 0.54 5.02 -1.19 -4.83 118.16 112.30 3dxj n LYS 343 Ca 0.09 -0.86 -0.10 0.00 -2.02 0.00 0.00 58.31 55.42 3dxj n LYS 343 Cb 0.52 1.08 -0.03 0.00 -0.02 0.00 0.00 35.03 36.58 3dxj n LYS 343 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3dxj s ASP 344 N -1.86 -0.41 -0.06 4.39 -1.08 -1.26 -1.06 116.67 115.33 3dxj s ASP 344 Ca 0.07 0.20 -0.25 0.00 -0.52 0.00 0.00 52.55 52.05 3dxj s ASP 344 Cb -0.02 0.38 0.05 0.00 -1.46 0.00 0.00 42.92 41.88 3dxj s ASP 344 CO 0.04 -0.55 0.56 -0.31 0.52 0.00 0.00 175.17 175.44 3dxj s TYR 345 N -2.32 -0.52 0.07 -5.34 1.51 -0.89 -4.95 117.35 104.91 3dxj s TYR 345 Ca 0.01 0.95 -0.21 0.00 -1.01 0.00 0.00 57.07 56.81 3dxj s TYR 345 Cb -0.01 0.29 -0.07 0.00 -0.11 0.00 0.00 41.96 42.07 3dxj s TYR 345 CO -0.04 -0.50 0.61 1.03 -1.11 0.00 0.00 175.55 175.54 3dxj s ARG 346 N -1.01 4.28 -0.38 -0.62 0.52 -1.22 -1.72 118.95 118.80 3dxj s ARG 346 Ca -0.10 0.81 -0.11 0.00 -0.52 0.00 0.00 55.73 55.81 3dxj s ARG 346 Cb -0.02 -3.26 0.03 0.00 0.52 0.00 0.00 34.95 32.22 3dxj s ARG 346 CO 0.07 0.58 0.21 0.08 0.02 0.00 0.00 175.30 176.25 3dxj s VAL 347 N -0.94 4.55 0.72 3.52 1.01 0.87 -4.95 120.40 125.19 3dxj s VAL 347 Ca 0.31 -0.90 -0.11 0.00 0.00 0.00 0.00 61.98 61.28 3dxj s VAL 347 Cb -0.20 -3.55 0.02 0.00 0.00 0.00 0.00 36.38 32.65 3dxj s VAL 347 CO 0.20 -0.25 1.08 -1.10 0.00 0.00 0.00 175.10 175.03 3dxj s GLN 348 N 1.55 2.72 0.53 2.72 -1.52 -1.26 -4.32 119.66 120.08 3dxj s GLN 348 Ca 0.02 0.61 0.39 0.00 -1.95 0.00 0.00 55.36 54.43 3dxj s GLN 348 Cb -0.19 -1.99 1.58 0.00 -0.22 0.00 0.00 33.01 32.18 3dxj s GLN 348 CO 0.06 -1.17 1.73 -1.35 -0.25 0.00 0.00 175.29 174.32 3dxj h PRO 349 N -0.76 0.03 -0.02 2.91 0.11 -1.98 0.30 132.00 132.59 3dxj h PRO 349 Ca -0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3dxj h PRO 349 Cb 1.24 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3dxj h PRO 349 CO 0.61 0.02 -0.03 -2.39 -0.21 0.00 0.00 178.00 176.00 3dxj n HIS 350 N -4.16 0.00 -2.84 0.65 1.44 -1.26 -4.93 115.22 104.12 3dxj n HIS 350 Ca 0.32 0.00 -0.26 0.00 -2.01 0.00 0.00 57.72 55.77 3dxj n HIS 350 Cb 1.46 -0.01 0.00 0.00 0.12 0.00 0.00 29.99 31.56 3dxj n HIS 350 CO 0.00 0.00 0.00 -1.64 -2.81 0.00 0.00 176.34 171.89 3dxj s MET 351 N -2.04 3.42 -0.17 -1.40 -1.94 0.11 -3.73 119.30 113.55 3dxj s MET 351 Ca 0.33 -0.02 -0.06 0.00 -1.71 0.00 0.00 55.69 54.23 3dxj s MET 351 Cb 0.20 -2.46 0.08 0.00 2.01 0.00 0.00 34.83 34.67 3dxj s MET 351 CO 0.34 -0.17 0.36 -0.80 -0.01 0.00 0.00 175.02 174.74 3dxj s ASN 352 N -4.12 -0.10 0.07 3.03 0.01 0.67 -4.86 114.94 109.65 3dxj s ASN 352 Ca 0.46 0.84 -0.31 0.00 -0.71 0.00 0.00 52.86 53.14 3dxj s ASN 352 Cb -0.10 1.03 -0.07 0.00 0.41 0.00 0.00 41.25 42.53 3dxj s ASN 352 CO 0.42 -0.23 1.33 0.68 -1.51 0.00 0.00 177.10 177.79 3dxj s VAL 353 N 2.35 3.62 -0.13 1.60 -7.23 -1.26 -0.74 120.40 118.60 3dxj s VAL 353 Ca -0.02 1.13 0.18 0.00 -1.81 0.00 0.00 61.98 61.46 3dxj s VAL 353 Cb -0.11 -3.73 -0.15 0.00 0.56 0.00 0.00 36.38 32.95 3dxj s VAL 353 CO -0.11 0.07 0.75 0.52 -0.31 0.00 0.00 175.10 176.02 3dxj n VAL 354 N 4.09 1.06 -3.09 1.32 0.31 0.53 -4.92 118.33 117.64 3dxj n VAL 354 Ca 0.11 -0.68 -0.35 0.00 -0.01 0.00 0.00 64.34 63.41 3dxj n VAL 354 Cb 0.44 -0.62 -0.06 0.00 -0.91 0.00 0.00 33.84 32.68 3dxj n VAL 354 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3dxj s VAL 355 N -2.97 4.59 0.00 2.52 1.01 -1.12 -4.97 120.40 119.46 3dxj s VAL 355 Ca -0.04 1.20 0.00 0.00 0.00 0.00 0.00 61.98 63.15 3dxj s VAL 355 Cb 0.09 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.69 3dxj s VAL 355 CO 0.82 0.07 0.00 -0.81 0.00 0.00 0.00 175.10 175.18 3dxj n PRO 356 N 0.35 3.51 -1.88 2.72 -0.04 -1.26 -4.98 135.00 133.42 3dxj n PRO 356 Ca -0.00 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.05 3dxj n PRO 356 Cb 0.52 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.95 3dxj n PRO 356 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3dxj s GLU 357 N 2.13 2.95 -1.37 0.54 2.02 -1.26 -3.78 118.70 119.93 3dxj s GLU 357 Ca 0.00 1.32 -0.00 0.00 0.02 0.00 0.00 54.97 56.31 3dxj s GLU 357 Cb 0.00 -4.33 0.00 0.00 0.10 0.00 0.00 34.13 29.90 3dxj s GLU 357 CO 0.00 -2.32 0.00 0.41 0.02 0.00 0.00 175.26 173.37 3dxj n GLY 358 N 5.63 -0.11 3.83 -1.39 0.00 -1.07 -4.88 105.19 107.20 3dxj n GLY 358 Ca 0.25 0.16 -0.33 0.00 0.00 0.00 0.00 46.02 46.10 3dxj n GLY 358 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dxj s ALA 359 N -4.23 3.22 0.65 4.61 0.00 -1.25 -4.17 121.76 120.60 3dxj s ALA 359 Ca 0.00 0.22 -0.17 0.00 0.00 0.00 0.00 51.96 52.01 3dxj s ALA 359 Cb -0.00 -2.94 -0.01 0.00 0.00 0.00 0.00 23.12 20.17 3dxj s ALA 359 CO 0.88 0.25 1.19 1.03 0.00 0.00 0.00 175.76 179.11 3dxj s ARG 360 N -2.87 2.68 0.02 0.00 0.52 -1.26 -2.83 118.95 115.22 3dxj s ARG 360 Ca 0.55 1.72 0.03 0.00 -0.52 0.00 0.00 55.73 57.51 3dxj s ARG 360 Cb -0.11 -1.90 -0.02 0.00 0.52 0.00 0.00 34.95 33.44 3dxj s ARG 360 CO 0.17 -1.41 -0.09 0.08 0.02 0.00 0.00 175.30 174.07 3dxj s VAL 361 N -1.86 0.65 0.46 3.52 1.01 0.27 -4.96 120.40 119.50 3dxj s VAL 361 Ca 0.74 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.98 3dxj s VAL 361 Cb -0.28 -0.63 0.02 0.00 0.00 0.00 0.00 36.38 35.49 3dxj s VAL 361 CO 0.38 -0.10 0.16 -0.62 0.00 0.00 0.00 175.10 174.92 3dxj n GLU 362 N 2.11 0.86 0.00 2.72 -0.58 -1.25 -1.43 120.64 123.06 3dxj n GLU 362 Ca -0.18 -3.15 -0.01 0.00 -0.42 0.00 0.00 57.16 53.40 3dxj n GLU 362 Cb 0.56 0.63 -0.01 0.00 -0.57 0.00 0.00 31.44 32.05 3dxj n GLU 362 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3dxj h ALA 363 N 0.99 -0.48 -0.83 0.62 0.00 -1.80 -1.72 119.26 116.04 3dxj h ALA 363 Ca -0.34 -0.01 -0.66 0.00 0.00 0.00 0.00 54.91 53.90 3dxj h ALA 363 Cb 1.12 0.60 -0.24 0.00 0.00 0.00 0.00 17.79 19.27 3dxj h ALA 363 CO 0.56 -0.49 0.82 0.41 0.00 0.00 0.00 179.25 180.54 3dxj n GLY 364 N -1.04 5.12 3.03 0.00 0.00 -1.26 -3.53 105.19 107.51 3dxj n GLY 364 Ca -0.01 -2.24 -0.32 0.00 0.00 0.00 0.00 46.02 43.45 3dxj n GLY 364 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3dxj s ASP 365 N -0.61 4.83 0.13 1.61 -1.08 -1.20 -5.02 116.67 115.33 3dxj s ASP 365 Ca 0.54 -2.22 -0.32 0.00 -0.52 0.00 0.00 52.55 50.03 3dxj s ASP 365 Cb 0.42 -1.67 -0.11 0.00 -1.46 0.00 0.00 42.92 40.09 3dxj s ASP 365 CO -0.32 -0.40 1.79 1.17 0.52 0.00 0.00 175.17 177.93 3dxj n LYS 366 N 4.20 2.67 -0.02 4.34 4.81 -1.26 -3.14 118.16 129.76 3dxj n LYS 366 Ca 0.03 0.97 -0.01 0.00 -0.87 0.00 0.00 58.31 58.43 3dxj n LYS 366 Cb 0.41 -2.83 -0.00 0.00 0.02 0.00 0.00 35.03 32.62 3dxj n LYS 366 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 3dxj h ILE 367 N 4.41 0.00 -3.21 3.15 2.04 -1.87 -3.46 117.51 118.57 3dxj h ILE 367 Ca -0.46 -0.33 -0.51 0.00 1.00 0.00 0.00 64.86 64.57 3dxj h ILE 367 Cb 1.23 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 37.13 3dxj h ILE 367 CO 0.94 0.00 -0.77 -0.69 0.00 0.00 0.00 178.15 177.63 3dxj s VAL 368 N -1.36 1.82 0.31 1.67 1.01 -1.23 0.20 120.40 122.83 3dxj s VAL 368 Ca -0.04 -1.97 0.04 0.00 0.00 0.00 0.00 61.98 60.01 3dxj s VAL 368 Cb 0.01 -1.88 -0.01 0.00 0.00 0.00 0.00 36.38 34.49 3dxj s VAL 368 CO 0.06 -0.36 0.34 0.00 0.00 0.00 0.00 175.10 175.14 3dxj n ALA 369 N 0.17 0.27 -3.00 5.51 0.00 0.08 -2.33 120.51 121.22 3dxj n ALA 369 Ca -0.12 -1.68 0.00 0.00 0.00 0.00 0.00 53.44 51.63 3dxj n ALA 369 Cb 0.58 1.36 0.00 0.00 0.00 0.00 0.00 19.45 21.39 3dxj n ALA 369 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dxj n ALA 370 N -0.87 0.00 0.09 0.00 0.00 -1.26 0.24 120.51 118.71 3dxj n ALA 370 Ca -0.12 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.19 3dxj n ALA 370 Cb 0.55 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.92 3dxj n ALA 370 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 3dxj h ILE 371 N 0.29 0.95 -1.87 0.00 3.07 -1.99 -3.40 117.51 114.55 3dxj h ILE 371 Ca 0.00 -0.47 -0.48 0.00 1.55 0.00 0.00 64.86 65.46 3dxj h ILE 371 Cb 0.00 1.24 -0.04 0.00 -0.27 0.00 0.00 36.82 37.74 3dxj h ILE 371 CO 0.00 0.11 1.26 1.51 -1.05 0.00 0.00 178.15 179.98 3dxj s ASP 372 N -5.21 5.39 0.63 2.16 -4.77 -1.26 -4.79 116.67 108.81 3dxj s ASP 372 Ca -0.15 0.10 0.28 0.00 -3.30 0.00 0.00 52.55 49.48 3dxj s ASP 372 Cb 0.04 -2.54 1.46 0.00 -1.09 0.00 0.00 42.92 40.79 3dxj s ASP 372 CO 0.63 -2.34 1.85 1.55 0.70 0.00 0.00 175.17 177.56 3dxj h PRO 373 N 13.87 0.00 -6.42 2.11 0.13 -2.03 -3.39 132.00 136.26 3dxj h PRO 373 Ca -0.22 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.37 3dxj h PRO 373 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3dxj h PRO 373 CO 1.23 0.00 0.72 -2.00 -0.23 0.00 0.00 178.00 177.72 3dxj s GLU 374 N -4.35 4.34 -0.69 0.86 2.56 -1.26 -4.12 118.70 116.04 3dxj s GLU 374 Ca -0.04 1.89 -0.08 0.00 0.00 0.00 0.00 54.97 56.73 3dxj s GLU 374 Cb 0.12 -3.45 0.01 0.00 2.00 0.00 0.00 34.13 32.81 3dxj s GLU 374 CO 0.40 -0.44 0.64 -1.91 -0.56 0.00 0.00 175.26 173.39 3dxj n GLU 375 N 4.69 -1.64 -4.39 4.30 2.13 -1.26 -5.02 120.64 119.45 3dxj n GLU 375 Ca 0.11 1.26 -0.22 0.00 0.66 0.00 0.00 57.16 58.97 3dxj n GLU 375 Cb 0.45 -3.71 -0.11 0.00 0.27 0.00 0.00 31.44 28.34 3dxj n GLU 375 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 3dxj s GLU 376 N -3.67 1.45 -0.53 5.31 2.02 -1.26 -5.05 118.70 116.98 3dxj s GLU 376 Ca 0.09 -1.59 -0.42 0.00 0.02 0.00 0.00 54.97 53.07 3dxj s GLU 376 Cb -0.02 -1.49 -0.19 0.00 0.10 0.00 0.00 34.13 32.54 3dxj s GLU 376 CO 0.83 0.29 2.15 0.28 0.02 0.00 0.00 175.26 178.83 3dxj n VAL 377 N -0.18 0.00 -4.17 2.63 0.31 -0.98 -4.92 118.33 111.02 3dxj n VAL 377 Ca -0.09 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 63.91 3dxj n VAL 377 Cb 0.59 -0.49 -0.16 0.00 -0.91 0.00 0.00 33.84 32.86 3dxj n VAL 377 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3dxj s ILE 378 N 6.14 2.05 1.30 2.52 1.01 -1.26 -2.76 121.20 130.19 3dxj s ILE 378 Ca 1.19 -0.94 -0.17 0.00 0.00 0.00 0.00 60.65 60.74 3dxj s ILE 378 Cb -1.46 -1.85 0.33 0.00 0.01 0.00 0.00 42.46 39.49 3dxj s ILE 378 CO 0.64 0.54 0.96 0.00 0.00 0.00 0.00 174.94 177.07 3dxj n ALA 379 N 4.57 -3.85 -3.00 9.38 0.00 -1.19 -4.91 120.51 121.52 3dxj n ALA 379 Ca -0.21 -1.49 0.00 0.00 0.00 0.00 0.00 53.44 51.74 3dxj n ALA 379 Cb 0.50 -1.85 0.00 0.00 0.00 0.00 0.00 19.45 18.10 3dxj n ALA 379 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3dxj n GLU 380 N -5.30 0.00 -1.53 0.00 1.02 -0.65 -4.74 120.64 109.44 3dxj n GLU 380 Ca 0.06 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.80 3dxj n GLU 380 Cb 0.56 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.92 3dxj n GLU 380 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3dxj n ALA 381 N -3.00 0.82 -3.58 0.62 0.00 -1.26 -2.57 120.51 111.54 3dxj n ALA 381 Ca 0.00 -0.63 -0.35 0.00 0.00 0.00 0.00 53.44 52.46 3dxj n ALA 381 Cb 0.00 -2.91 0.03 0.00 0.00 0.00 0.00 19.45 16.57 3dxj n ALA 381 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3dxj n GLU 382 N 8.77 -1.84 -3.99 0.00 1.02 -1.21 -4.19 120.64 119.21 3dxj n GLU 382 Ca 0.43 1.26 -0.32 0.00 -0.02 0.00 0.00 57.16 58.51 3dxj n GLU 382 Cb 0.39 -2.16 -0.05 0.00 -0.02 0.00 0.00 31.44 29.60 3dxj n GLU 382 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3dxj s GLY 383 N -1.88 2.11 0.16 0.62 0.00 -0.52 -3.11 107.32 104.70 3dxj s GLY 383 Ca 0.28 -0.88 0.11 0.00 0.00 0.00 0.00 44.72 44.23 3dxj s GLY 383 CO 0.88 -0.82 -0.22 0.14 0.00 0.00 0.00 173.10 173.08 3dxj s VAL 384 N -1.38 2.52 -0.10 1.40 1.01 -1.03 0.96 120.40 123.78 3dxj s VAL 384 Ca 0.30 -1.81 -0.11 0.00 0.00 0.00 0.00 61.98 60.35 3dxj s VAL 384 Cb -0.13 -2.18 -0.05 0.00 0.00 0.00 0.00 36.38 34.03 3dxj s VAL 384 CO 0.22 -0.02 0.27 -0.69 0.00 0.00 0.00 175.10 174.88 3dxj s VAL 385 N -1.40 5.30 -0.29 2.92 1.01 -1.13 -3.94 120.40 122.87 3dxj s VAL 385 Ca 0.19 0.50 -0.07 0.00 0.00 0.00 0.00 61.98 62.60 3dxj s VAL 385 Cb -0.09 -3.56 0.15 0.00 0.00 0.00 0.00 36.38 32.87 3dxj s VAL 385 CO 0.09 0.54 0.60 -1.00 0.00 0.00 0.00 175.10 175.33 3dxj s HIS 386 N -0.58 -1.36 -0.14 5.22 3.76 -1.23 -2.60 115.29 118.37 3dxj s HIS 386 Ca 0.18 2.00 -0.04 0.00 -0.15 0.00 0.00 55.06 57.04 3dxj s HIS 386 Cb -0.14 0.65 -0.03 0.00 1.11 0.00 0.00 32.58 34.17 3dxj s HIS 386 CO 0.07 -0.72 0.01 -0.51 -0.85 0.00 0.00 174.74 172.74 3dxj s LEU 387 N 2.84 3.58 0.00 0.89 1.02 -1.26 0.15 118.68 125.90 3dxj s LEU 387 Ca 0.04 0.06 0.00 0.00 0.02 0.00 0.00 54.13 54.25 3dxj s LEU 387 Cb -0.13 -1.86 0.00 0.00 0.02 0.00 0.00 46.19 44.22 3dxj s LEU 387 CO -0.19 0.26 0.00 1.41 0.02 0.00 0.00 176.35 177.85 3dxj n HIS 388 N 2.95 0.00 -3.93 0.29 8.25 0.27 -4.95 115.22 118.10 3dxj n HIS 388 Ca -0.18 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 56.99 3dxj n HIS 388 Cb 0.53 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.50 3dxj n HIS 388 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3dxj s GLU 389 N -1.48 2.07 0.52 -0.41 2.02 -0.90 -4.77 118.70 115.76 3dxj s GLU 389 Ca 0.00 -2.78 -0.07 0.00 0.02 0.00 0.00 54.97 52.14 3dxj s GLU 389 Cb 0.00 -3.32 -0.04 0.00 0.10 0.00 0.00 34.13 30.87 3dxj s GLU 389 CO 0.00 -1.15 0.86 -2.14 0.02 0.00 0.00 175.26 172.84 3dxj s PRO 390 N -0.55 3.57 -0.07 0.39 0.02 -1.23 0.28 135.00 137.41 3dxj s PRO 390 Ca 0.19 0.37 0.16 0.00 0.02 0.00 0.00 61.00 61.74 3dxj s PRO 390 Cb -0.21 -2.29 -0.22 0.00 0.02 0.00 0.00 34.50 31.80 3dxj s PRO 390 CO -0.04 -0.31 0.48 0.00 -0.33 0.00 0.00 177.00 176.81 3dxj n ALA 391 N -2.37 1.67 -3.77 -1.55 0.00 0.73 -4.70 120.51 110.52 3dxj n ALA 391 Ca 0.02 -0.90 0.03 0.00 0.00 0.00 0.00 53.44 52.60 3dxj n ALA 391 Cb 0.55 -0.64 0.02 0.00 0.00 0.00 0.00 19.45 19.38 3dxj n ALA 391 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3dxj n SER 392 N -2.86 -1.83 -3.83 0.00 3.41 -1.26 -1.48 113.62 105.77 3dxj n SER 392 Ca -0.20 -2.13 -0.12 0.00 -0.26 0.00 0.00 58.87 56.17 3dxj n SER 392 Cb 1.01 3.01 -0.10 0.00 -0.26 0.00 0.00 64.21 67.87 3dxj n SER 392 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3dxj s ILE 393 N -2.14 0.06 0.08 -1.33 1.01 -0.07 -3.43 121.20 115.37 3dxj s ILE 393 Ca 0.18 -0.48 0.07 0.00 0.00 0.00 0.00 60.65 60.42 3dxj s ILE 393 Cb -0.03 -0.43 -0.04 0.00 0.01 0.00 0.00 42.46 41.97 3dxj s ILE 393 CO 0.08 -0.26 -0.15 -0.22 0.00 0.00 0.00 174.94 174.38 3dxj s LEU 394 N -0.99 2.78 -0.02 2.97 2.96 -0.97 0.20 118.68 125.60 3dxj s LEU 394 Ca -0.11 -0.44 0.02 0.00 -0.22 0.00 0.00 54.13 53.39 3dxj s LEU 394 Cb -0.06 -1.62 0.00 0.00 0.50 0.00 0.00 46.19 45.01 3dxj s LEU 394 CO 0.02 0.21 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.48 3dxj s VAL 395 N -1.07 0.74 -0.10 1.68 1.01 0.93 -0.28 120.40 123.31 3dxj s VAL 395 Ca 0.17 -0.35 -0.22 0.00 0.00 0.00 0.00 61.98 61.58 3dxj s VAL 395 Cb -0.11 -0.65 0.05 0.00 0.00 0.00 0.00 36.38 35.67 3dxj s VAL 395 CO 0.09 0.23 0.52 0.54 0.00 0.00 0.00 175.10 176.47 3dxj s VAL 396 N 0.08 0.02 -0.93 2.92 0.11 -1.20 0.96 120.40 122.37 3dxj s VAL 396 Ca -0.01 -0.14 -0.24 0.00 -2.93 0.00 0.00 61.98 58.65 3dxj s VAL 396 Cb -0.07 -0.79 0.01 0.00 -1.53 0.00 0.00 36.38 34.00 3dxj s VAL 396 CO 0.00 -0.08 1.61 -0.75 -3.33 0.00 0.00 175.10 172.55 3dxj s LYS 397 N -0.69 3.17 -0.04 1.54 2.47 0.20 -2.64 119.74 123.76 3dxj s LYS 397 Ca -0.08 -0.67 -0.27 0.00 -1.56 0.00 0.00 55.97 53.39 3dxj s LYS 397 Cb -0.03 -5.09 0.06 0.00 -1.46 0.00 0.00 37.83 31.31 3dxj s LYS 397 CO 0.05 -2.59 0.59 0.00 0.16 0.00 0.00 175.35 173.56 3dxj s ALA 398 N 6.86 -1.54 -0.40 3.13 0.00 -1.26 -3.11 121.76 125.44 3dxj s ALA 398 Ca 0.53 1.09 -0.19 0.00 0.00 0.00 0.00 51.96 53.39 3dxj s ALA 398 Cb -0.04 0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.12 3dxj s ALA 398 CO -0.03 -0.35 0.55 1.03 0.00 0.00 0.00 175.76 176.96 3dxj s ARG 399 N -1.23 3.39 -0.08 0.00 1.81 -1.19 -4.78 118.95 116.86 3dxj s ARG 399 Ca -0.12 -0.36 -0.30 0.00 -1.72 0.00 0.00 55.73 53.24 3dxj s ARG 399 Cb -0.01 -3.89 -0.05 0.00 -0.45 0.00 0.00 34.95 30.55 3dxj s ARG 399 CO 0.09 -0.82 1.63 0.54 -0.68 0.00 0.00 175.30 176.06 3dxj s VAL 400 N 2.50 3.63 -0.59 3.52 0.11 -1.26 -3.13 120.40 125.17 3dxj s VAL 400 Ca 0.19 0.76 0.04 0.00 -2.93 0.00 0.00 61.98 60.04 3dxj s VAL 400 Cb -0.15 -3.51 0.15 0.00 -1.53 0.00 0.00 36.38 31.33 3dxj s VAL 400 CO 0.15 -0.09 0.36 -0.31 -3.33 0.00 0.00 175.10 171.88 3dxj s TYR 401 N 4.19 3.30 0.27 1.54 1.51 -0.19 -4.93 117.35 123.05 3dxj s TYR 401 Ca 0.72 -3.23 -0.30 0.00 -1.01 0.00 0.00 57.07 53.26 3dxj s TYR 401 Cb -0.32 -2.74 -0.10 0.00 -0.11 0.00 0.00 41.96 38.70 3dxj s TYR 401 CO 0.29 -0.66 1.35 -2.14 -1.11 0.00 0.00 175.55 173.28 3dxj s PRO 402 N -0.77 4.34 0.39 -1.71 0.02 -1.26 -2.17 135.00 133.84 3dxj s PRO 402 Ca 0.20 2.20 0.04 0.00 0.02 0.00 0.00 61.00 63.46 3dxj s PRO 402 Cb -0.17 -3.12 -0.04 0.00 0.02 0.00 0.00 34.50 31.19 3dxj s PRO 402 CO -0.07 -0.28 0.07 -0.59 -0.33 0.00 0.00 177.00 175.80 3dxj s PHE 403 N -0.41 1.93 0.00 6.54 -0.12 0.20 -4.95 117.98 121.17 3dxj s PHE 403 Ca 0.55 -1.05 0.00 0.00 -0.05 0.00 0.00 56.93 56.37 3dxj s PHE 403 Cb -0.40 -1.33 0.00 0.00 -0.63 0.00 0.00 43.02 40.66 3dxj s PHE 403 CO 0.46 -0.03 0.00 0.39 -0.05 0.00 0.00 175.22 175.98 3dxj n GLU 404 N -0.88 0.00 0.00 1.99 1.02 -1.26 -4.60 120.64 116.91 3dxj n GLU 404 Ca -0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 3dxj n GLU 404 Cb 0.66 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.08 3dxj n GLU 404 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3dxj n ASP 405 N -2.17 0.00 -4.65 1.62 8.00 -1.26 -4.93 116.55 113.15 3dxj n ASP 405 Ca 0.00 0.17 -0.28 0.00 0.71 0.00 0.00 54.79 55.40 3dxj n ASP 405 Cb 0.00 0.00 0.11 0.00 -0.02 0.00 0.00 41.12 41.21 3dxj n ASP 405 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3dxj s ASP 406 N -1.76 4.16 0.49 -2.24 1.01 -1.26 -4.91 116.67 112.16 3dxj s ASP 406 Ca 0.00 0.42 0.03 0.00 0.71 0.00 0.00 52.55 53.71 3dxj s ASP 406 Cb 0.00 -0.81 0.02 0.00 1.01 0.00 0.00 42.92 43.14 3dxj s ASP 406 CO 0.00 -2.07 0.69 0.54 0.21 0.00 0.00 175.17 174.55 3dxj s VAL 407 N -3.54 3.07 0.00 -1.27 0.11 -1.26 -1.71 120.40 115.80 3dxj s VAL 407 Ca 0.66 -0.72 0.00 0.00 -2.93 0.00 0.00 61.98 58.98 3dxj s VAL 407 Cb -0.08 -3.11 0.00 0.00 -1.53 0.00 0.00 36.38 31.65 3dxj s VAL 407 CO 0.48 -0.07 0.00 1.21 -3.33 0.00 0.00 175.10 173.39 3dxj n GLU 408 N -2.15 1.20 0.00 1.54 2.13 -1.25 -3.10 120.64 119.01 3dxj n GLU 408 Ca 0.06 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.88 3dxj n GLU 408 Cb 0.59 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.30 3dxj n GLU 408 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 3dxj n VAL 409 N 0.00 0.00 -2.63 6.31 0.24 -1.24 -4.91 118.33 116.09 3dxj n VAL 409 Ca 0.00 0.00 -0.23 0.00 -2.04 0.00 0.00 64.34 62.07 3dxj n VAL 409 Cb 0.00 0.00 -0.00 0.00 -1.47 0.00 0.00 33.84 32.37 3dxj n VAL 409 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3dxj n SER 410 N 0.00 3.74 -3.93 -1.34 3.41 -1.26 -5.03 113.62 109.20 3dxj n SER 410 Ca 0.00 -3.45 -0.41 0.00 -0.26 0.00 0.00 58.87 54.75 3dxj n SER 410 Cb 0.00 -0.50 0.03 0.00 -0.26 0.00 0.00 64.21 63.48 3dxj n SER 410 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 3dxj n THR 411 N -0.31 -3.78 0.00 6.66 5.66 -1.26 -4.60 114.28 116.65 3dxj n THR 411 Ca 0.30 -0.66 0.00 0.00 -3.05 0.00 0.00 64.05 60.64 3dxj n THR 411 Cb 0.65 -2.99 0.00 0.00 -1.55 0.00 0.00 70.33 66.44 3dxj n THR 411 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3dxj n GLY 412 N -1.94 0.00 3.86 1.09 0.00 0.13 -4.59 105.19 103.73 3dxj n GLY 412 Ca -0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 3dxj n GLY 412 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dxj s ASP 413 N 0.00 6.21 -0.11 1.61 1.01 -1.26 -4.42 116.67 119.70 3dxj s ASP 413 Ca 0.00 1.48 -0.20 0.00 0.71 0.00 0.00 52.55 54.54 3dxj s ASP 413 Cb 0.00 -2.48 -0.04 0.00 1.01 0.00 0.00 42.92 41.41 3dxj s ASP 413 CO 0.00 -0.88 0.56 0.00 0.21 0.00 0.00 175.17 175.06 3dxj s ARG 414 N -4.91 4.36 -0.04 8.23 1.70 -1.26 0.44 118.95 127.47 3dxj s ARG 414 Ca 0.56 0.60 -0.01 0.00 -0.47 0.00 0.00 55.73 56.41 3dxj s ARG 414 Cb -0.11 -3.45 0.03 0.00 -0.57 0.00 0.00 34.95 30.84 3dxj s ARG 414 CO 0.49 0.09 0.04 0.14 -1.08 0.00 0.00 175.30 174.98 3dxj s VAL 415 N 0.80 0.01 -0.37 4.99 -7.23 -0.24 -4.87 120.40 113.48 3dxj s VAL 415 Ca 0.30 0.31 -0.03 0.00 -1.81 0.00 0.00 61.98 60.75 3dxj s VAL 415 Cb -0.16 -0.21 0.23 0.00 0.56 0.00 0.00 36.38 36.80 3dxj s VAL 415 CO 0.13 0.18 1.09 0.00 -0.31 0.00 0.00 175.10 176.18 3dxj n ALA 416 N 4.98 -3.32 0.37 1.32 0.00 -1.22 -3.39 120.51 119.25 3dxj n ALA 416 Ca -0.10 -0.28 0.11 0.00 0.00 0.00 0.00 53.44 53.17 3dxj n ALA 416 Cb 0.50 -2.92 0.25 0.00 0.00 0.00 0.00 19.45 17.28 3dxj n ALA 416 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3dxj n PRO 417 N 2.23 2.40 -1.11 0.00 -0.04 -1.15 -4.77 135.00 132.56 3dxj n PRO 417 Ca 0.09 -2.13 0.14 0.00 -0.04 0.00 0.00 63.50 61.56 3dxj n PRO 417 Cb 0.65 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.55 3dxj n PRO 417 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3dxj n GLY 418 N 1.46 -2.95 0.41 0.55 0.00 -1.26 -2.25 105.19 101.15 3dxj n GLY 418 Ca 0.19 -1.16 -0.15 0.00 0.00 0.00 0.00 46.02 44.90 3dxj n GLY 418 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3dxj h ASP 419 N -1.09 -0.84 -2.88 1.61 3.32 -1.98 -3.44 116.42 111.13 3dxj h ASP 419 Ca -0.12 0.03 -0.50 0.00 0.02 0.00 0.00 57.03 56.46 3dxj h ASP 419 Cb 1.06 0.22 -0.14 0.00 0.22 0.00 0.00 39.33 40.69 3dxj h ASP 419 CO 0.05 -0.47 -0.70 0.68 -1.72 0.00 0.00 179.24 177.08 3dxj s VAL 420 N -4.78 1.79 0.00 -1.35 -7.23 -1.26 -4.90 120.40 102.66 3dxj s VAL 420 Ca -0.15 -2.18 0.00 0.00 -1.81 0.00 0.00 61.98 57.84 3dxj s VAL 420 Cb 0.01 -2.33 0.00 0.00 0.56 0.00 0.00 36.38 34.62 3dxj s VAL 420 CO 0.44 -0.39 0.00 -0.11 -0.31 0.00 0.00 175.10 174.73 3dxj n LEU 421 N -0.54 0.00 0.00 1.32 7.94 0.85 -4.89 117.00 121.67 3dxj n LEU 421 Ca -0.06 0.00 -0.19 0.00 -1.11 0.00 0.00 56.01 54.65 3dxj n LEU 421 Cb 0.62 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.52 3dxj n LEU 421 CO 0.38 0.00 -0.13 0.00 -1.11 0.00 0.00 177.39 176.54 3dxj n ALA 422 N -3.00 0.36 -3.78 1.96 0.00 -1.01 -3.73 120.51 111.30 3dxj n ALA 422 Ca 0.00 -1.45 -0.29 0.00 0.00 0.00 0.00 53.44 51.70 3dxj n ALA 422 Cb 0.00 0.92 0.01 0.00 0.00 0.00 0.00 19.45 20.38 3dxj n ALA 422 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3dxj n ASP 423 N -1.55 -5.02 -3.22 0.00 9.92 -0.69 -2.03 116.55 113.96 3dxj n ASP 423 Ca -0.07 -0.98 -0.18 0.00 -0.53 0.00 0.00 54.79 53.03 3dxj n ASP 423 Cb 0.42 -2.25 -0.02 0.00 -0.64 0.00 0.00 41.12 38.63 3dxj n ASP 423 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3dxj n GLY 424 N -1.79 -0.47 0.49 0.44 0.00 -1.26 0.46 105.19 103.05 3dxj n GLY 424 Ca -0.20 0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3dxj n GLY 424 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dxj n GLY 425 N -0.87 1.56 0.00 -0.02 0.00 -0.86 -4.90 105.19 100.10 3dxj n GLY 425 Ca 0.01 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.04 3dxj n GLY 425 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dxj n LYS 426 N -2.00 0.26 -3.71 1.61 5.02 0.17 -4.53 118.16 114.99 3dxj n LYS 426 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.17 3dxj n LYS 426 Cb 0.00 -1.11 -0.12 0.00 -0.02 0.00 0.00 35.03 33.78 3dxj n LYS 426 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3dxj s VAL 427 N -2.00 -0.07 0.21 -0.18 1.01 -0.92 -4.96 120.40 113.50 3dxj s VAL 427 Ca 0.03 0.14 0.01 0.00 0.00 0.00 0.00 61.98 62.16 3dxj s VAL 427 Cb 0.01 -0.46 -0.00 0.00 0.00 0.00 0.00 36.38 35.93 3dxj s VAL 427 CO 0.02 0.06 0.26 1.17 0.00 0.00 0.00 175.10 176.61 3dxj n LYS 428 N 4.33 0.37 -3.11 2.72 4.81 -1.26 -0.11 118.16 125.92 3dxj n LYS 428 Ca -0.23 -1.86 -0.01 0.00 -0.87 0.00 0.00 58.31 55.34 3dxj n LYS 428 Cb 0.53 1.69 -0.01 0.00 0.02 0.00 0.00 35.03 37.26 3dxj n LYS 428 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 3dxj s SER 429 N -2.38 -1.43 0.38 3.14 0.15 -0.95 -4.94 113.70 107.66 3dxj s SER 429 Ca 0.20 -1.04 0.29 0.00 0.70 0.00 0.00 55.95 56.11 3dxj s SER 429 Cb 0.00 1.91 1.28 0.00 -1.71 0.00 0.00 66.02 67.50 3dxj s SER 429 CO 0.15 -0.14 1.32 -0.90 1.20 0.00 0.00 173.24 174.86 3dxj n ASP 430 N 4.06 0.16 -4.79 5.45 5.75 -1.26 -2.95 116.55 122.96 3dxj n ASP 430 Ca 0.13 1.13 -0.35 0.00 -0.01 0.00 0.00 54.79 55.69 3dxj n ASP 430 Cb 0.56 -0.56 -0.04 0.00 -1.03 0.00 0.00 41.12 40.06 3dxj n ASP 430 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3dxj s VAL 431 N -4.94 3.81 0.72 2.12 1.01 -1.26 -3.43 120.40 118.44 3dxj s VAL 431 Ca -0.06 1.27 -0.11 0.00 0.00 0.00 0.00 61.98 63.08 3dxj s VAL 431 Cb 0.26 -3.60 0.16 0.00 0.00 0.00 0.00 36.38 33.20 3dxj s VAL 431 CO 0.70 -0.11 0.98 -1.22 0.00 0.00 0.00 175.10 175.46 3dxj n TYR 432 N -0.43 -3.87 0.00 5.22 4.02 -1.22 -3.38 117.16 117.50 3dxj n TYR 432 Ca 0.07 -0.96 0.00 0.00 -0.01 0.00 0.00 57.90 57.00 3dxj n TYR 432 Cb 0.51 -0.76 0.00 0.00 -0.02 0.00 0.00 39.34 39.07 3dxj n TYR 432 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3dxj n GLY 433 N -1.54 0.54 3.12 2.72 0.00 -1.22 -4.24 105.19 104.58 3dxj n GLY 433 Ca 0.13 -2.17 -0.25 0.00 0.00 0.00 0.00 46.02 43.73 3dxj n GLY 433 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dxj s ARG 434 N -0.67 1.60 0.36 1.61 3.00 -0.17 -1.08 118.95 123.59 3dxj s ARG 434 Ca 0.00 -0.57 -0.28 0.00 0.00 0.00 0.00 55.73 54.87 3dxj s ARG 434 Cb 0.00 -1.43 -0.11 0.00 0.00 0.00 0.00 34.95 33.41 3dxj s ARG 434 CO 0.00 0.25 1.46 0.08 0.00 0.00 0.00 175.30 177.09 3dxj s VAL 435 N -0.04 2.19 -0.05 3.52 1.01 0.17 -3.46 120.40 123.74 3dxj s VAL 435 Ca -0.01 0.19 0.01 0.00 0.00 0.00 0.00 61.98 62.16 3dxj s VAL 435 Cb -0.10 -3.12 0.02 0.00 0.00 0.00 0.00 36.38 33.18 3dxj s VAL 435 CO 0.01 0.04 -0.05 -1.61 0.00 0.00 0.00 175.10 173.50 3dxj s GLU 436 N -1.87 0.96 -0.30 2.72 0.41 -0.43 0.18 118.70 120.36 3dxj s GLU 436 Ca 0.53 -0.13 -0.11 0.00 -0.41 0.00 0.00 54.97 54.85 3dxj s GLU 436 Cb -0.45 -0.97 -0.03 0.00 -1.78 0.00 0.00 34.13 30.91 3dxj s GLU 436 CO 0.60 -0.10 0.18 0.54 -0.49 0.00 0.00 175.26 175.98 3dxj s VAL 437 N 1.04 4.98 0.06 2.63 0.11 -1.26 -2.66 120.40 125.31 3dxj s VAL 437 Ca -0.09 -0.15 -0.08 0.00 -2.93 0.00 0.00 61.98 58.73 3dxj s VAL 437 Cb -0.14 -3.47 -0.05 0.00 -1.53 0.00 0.00 36.38 31.18 3dxj s VAL 437 CO -0.00 0.13 0.35 -0.62 -3.33 0.00 0.00 175.10 171.63 3dxj s ASP 438 N 1.69 6.56 0.00 3.54 2.15 -1.05 -5.00 116.67 124.56 3dxj s ASP 438 Ca 0.06 0.67 0.05 0.00 0.43 0.00 0.00 52.55 53.76 3dxj s ASP 438 Cb -0.17 -2.13 0.10 0.00 -0.30 0.00 0.00 42.92 40.42 3dxj s ASP 438 CO 0.09 0.18 0.91 0.18 -0.17 0.00 0.00 175.17 176.36 3dxj n LEU 439 N 0.84 1.97 0.00 -1.34 4.77 -1.26 -4.25 117.00 117.72 3dxj n LEU 439 Ca -0.08 -1.54 0.00 0.00 -0.03 0.00 0.00 56.01 54.36 3dxj n LEU 439 Cb 0.52 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 3dxj n LEU 439 CO 0.43 0.47 0.00 1.33 -1.33 0.00 0.00 177.39 178.29 3dxj n VAL 440 N 0.12 0.00 0.83 4.08 0.24 -1.26 -4.48 118.33 117.85 3dxj n VAL 440 Ca 0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.34 3dxj n VAL 440 Cb 0.24 -0.56 0.00 0.00 -1.47 0.00 0.00 33.84 32.04 3dxj n VAL 440 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 3dxj n ARG 441 N -0.89 0.83 -4.28 7.34 0.63 -1.26 -4.73 116.66 114.31 3dxj n ARG 441 Ca 0.00 0.00 -0.37 0.00 -0.92 0.00 0.00 57.85 56.56 3dxj n ARG 441 Cb 0.00 -1.28 -0.04 0.00 0.45 0.00 0.00 32.46 31.59 3dxj n ARG 441 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 3dxj n ASN 442 N 0.28 -2.94 -4.84 6.15 5.03 -1.26 -4.26 115.26 113.42 3dxj n ASN 442 Ca 0.00 -1.06 -0.23 0.00 0.87 0.00 0.00 54.58 54.17 3dxj n ASN 442 Cb 0.29 -2.55 -0.04 0.00 -1.02 0.00 0.00 39.78 36.45 3dxj n ASN 442 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3dxj s VAL 443 N -3.31 4.58 -0.06 2.41 1.01 -1.26 0.62 120.40 124.39 3dxj s VAL 443 Ca 0.73 -1.26 -0.01 0.00 0.00 0.00 0.00 61.98 61.44 3dxj s VAL 443 Cb -0.41 -3.45 0.03 0.00 0.00 0.00 0.00 36.38 32.56 3dxj s VAL 443 CO 0.95 -0.29 0.01 0.68 0.00 0.00 0.00 175.10 176.44 3dxj s VAL 444 N -2.02 0.30 -0.08 2.92 -7.23 -0.92 -2.54 120.40 110.83 3dxj s VAL 444 Ca 0.33 0.15 -0.22 0.00 -1.81 0.00 0.00 61.98 60.42 3dxj s VAL 444 Cb -0.09 -0.46 -0.04 0.00 0.56 0.00 0.00 36.38 36.36 3dxj s VAL 444 CO 0.25 0.24 0.65 -0.13 -0.31 0.00 0.00 175.10 175.80 3dxj s ARG 445 N 1.85 4.42 -0.64 4.82 3.00 -1.09 -1.02 118.95 130.28 3dxj s ARG 445 Ca 0.03 0.78 0.05 0.00 0.00 0.00 0.00 55.73 56.59 3dxj s ARG 445 Cb -0.12 -3.44 0.17 0.00 0.00 0.00 0.00 34.95 31.55 3dxj s ARG 445 CO -0.04 0.09 0.47 0.28 0.00 0.00 0.00 175.30 176.10 3dxj n VAL 446 N 3.75 1.07 -1.70 3.52 0.31 -1.18 -1.31 118.33 122.78 3dxj n VAL 446 Ca -0.03 -4.58 -0.38 0.00 -0.01 0.00 0.00 64.34 59.34 3dxj n VAL 446 Cb 0.51 -2.07 0.05 0.00 -0.91 0.00 0.00 33.84 31.42 3dxj n VAL 446 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3dxj n VAL 447 N 2.09 3.83 -2.95 2.52 0.31 -1.22 -3.19 118.33 119.71 3dxj n VAL 447 Ca 0.22 -0.50 -0.41 0.00 -0.01 0.00 0.00 64.34 63.65 3dxj n VAL 447 Cb 0.38 -1.49 -0.04 0.00 -0.91 0.00 0.00 33.84 31.78 3dxj n VAL 447 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3dxj s GLU 448 N -2.84 4.34 -0.46 5.55 8.01 -1.18 -1.00 118.70 131.13 3dxj s GLU 448 Ca 0.73 0.95 0.04 0.00 0.01 0.00 0.00 54.97 56.70 3dxj s GLU 448 Cb -0.43 -3.53 0.23 0.00 -4.31 0.00 0.00 34.13 26.10 3dxj s GLU 448 CO 0.48 -0.19 0.93 0.45 0.01 0.00 0.00 175.26 176.94 3dxj n SER 449 N 4.72 -2.65 -4.52 -0.19 2.88 -1.26 -3.66 113.62 108.96 3dxj n SER 449 Ca 0.02 -2.79 -0.40 0.00 -1.33 0.00 0.00 58.87 54.37 3dxj n SER 449 Cb 0.50 1.55 0.02 0.00 -0.75 0.00 0.00 64.21 65.53 3dxj n SER 449 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3dxj n TYR 450 N 1.97 0.01 -2.33 0.66 9.36 -1.26 -4.00 117.16 121.58 3dxj n TYR 450 Ca 0.10 0.51 -0.42 0.00 3.32 0.00 0.00 57.90 61.41 3dxj n TYR 450 Cb 0.63 -2.05 -0.03 0.00 -0.63 0.00 0.00 39.34 37.26 3dxj n TYR 450 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 3dxj s ASP 451 N -1.01 6.10 0.21 2.98 1.11 -1.26 -4.92 116.67 119.88 3dxj s ASP 451 Ca 0.67 0.50 0.09 0.00 0.18 0.00 0.00 52.55 53.98 3dxj s ASP 451 Cb -0.51 -2.54 -0.04 0.00 1.07 0.00 0.00 42.92 40.89 3dxj s ASP 451 CO 0.55 -1.69 -0.03 0.27 1.18 0.00 0.00 175.17 175.45 3dxj s ILE 452 N 6.17 3.46 -0.26 0.77 -4.36 -1.26 -4.86 121.20 120.85 3dxj s ILE 452 Ca 0.58 -1.69 0.03 0.00 -0.26 0.00 0.00 60.65 59.30 3dxj s ILE 452 Cb -0.12 -2.78 0.07 0.00 1.25 0.00 0.00 42.46 40.88 3dxj s ILE 452 CO 0.27 -0.22 -0.07 -0.62 0.24 0.00 0.00 174.94 174.54 3dxj s ASP 453 N -3.20 4.34 -0.39 4.36 2.15 -1.24 -5.02 116.67 117.67 3dxj s ASP 453 Ca 0.28 -1.44 0.01 0.00 0.43 0.00 0.00 52.55 51.83 3dxj s ASP 453 Cb -0.08 -1.46 0.13 0.00 -0.30 0.00 0.00 42.92 41.21 3dxj s ASP 453 CO 0.18 -0.23 0.20 0.00 -0.17 0.00 0.00 175.17 175.15 3dxj s ALA 454 N 1.16 1.70 0.51 3.66 0.00 -1.26 0.27 121.76 127.80 3dxj s ALA 454 Ca -0.05 -2.19 0.03 0.00 0.00 0.00 0.00 51.96 49.74 3dxj s ALA 454 Cb -0.20 -1.76 0.02 0.00 0.00 0.00 0.00 23.12 21.19 3dxj s ALA 454 CO -0.06 -1.98 0.72 1.03 0.00 0.00 0.00 175.76 175.46 3dxj s ARG 455 N 0.83 2.66 0.06 0.00 0.52 -1.21 -4.73 118.95 117.08 3dxj s ARG 455 Ca 0.16 -0.86 0.00 0.00 -0.52 0.00 0.00 55.73 54.52 3dxj s ARG 455 Cb -0.22 -2.56 0.00 0.00 0.52 0.00 0.00 34.95 32.69 3dxj s ARG 455 CO -0.06 -0.56 0.03 -1.33 0.02 0.00 0.00 175.30 173.41 3dxj n MET 456 N -2.20 1.51 0.00 3.54 2.81 -1.26 -3.45 117.12 118.07 3dxj n MET 456 Ca 0.07 -0.37 0.00 0.00 -1.81 0.00 0.00 57.70 55.59 3dxj n MET 456 Cb 0.59 0.05 0.00 0.00 -0.71 0.00 0.00 33.22 33.16 3dxj n MET 456 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3dxj n GLY 457 N 4.31 0.47 0.21 3.03 0.00 -1.23 -2.74 105.19 109.23 3dxj n GLY 457 Ca -0.01 -0.74 -0.07 0.00 0.00 0.00 0.00 46.02 45.21 3dxj n GLY 457 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dxj h ALA 458 N 0.00 -0.58 -0.10 4.61 0.00 -1.84 -2.77 119.26 118.57 3dxj h ALA 458 Ca 0.00 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.90 3dxj h ALA 458 Cb 0.00 0.82 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 3dxj h ALA 458 CO 0.00 -0.69 -0.06 -1.91 0.00 0.00 0.00 179.25 176.59 3dxj n GLU 459 N -3.86 -0.04 0.00 0.00 2.13 -1.26 0.20 120.64 117.82 3dxj n GLU 459 Ca -0.02 0.23 0.00 0.00 0.66 0.00 0.00 57.16 58.03 3dxj n GLU 459 Cb 0.16 -0.34 0.00 0.00 0.27 0.00 0.00 31.44 31.53 3dxj n GLU 459 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3dxj n ALA 460 N -3.13 -0.08 -0.29 4.31 0.00 -1.06 0.17 120.51 120.43 3dxj n ALA 460 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.43 3dxj n ALA 460 Cb 0.03 0.27 0.04 0.00 0.00 0.00 0.00 19.45 19.79 3dxj n ALA 460 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3dxj h ILE 461 N 0.00 0.11 -0.54 0.00 1.08 0.49 0.17 117.51 118.81 3dxj h ILE 461 Ca 0.00 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.56 3dxj h ILE 461 Cb 0.00 0.11 -0.11 0.00 -3.07 0.00 0.00 36.82 33.75 3dxj h ILE 461 CO 0.00 0.00 -0.38 -0.61 -0.69 0.00 0.00 178.15 176.47 3dxj h GLN 462 N -0.06 -0.21 -0.28 2.37 4.15 0.30 -1.00 115.11 120.37 3dxj h GLN 462 Ca 0.32 0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.78 3dxj h GLN 462 Cb 0.58 0.05 -0.04 0.00 0.21 0.00 0.00 27.48 28.28 3dxj h GLN 462 CO -0.84 -0.14 -0.25 1.96 -1.93 0.00 0.00 178.83 177.63 3dxj h GLN 463 N -0.22 -0.09 -0.86 1.69 1.08 0.28 -1.63 115.11 115.35 3dxj h GLN 463 Ca 0.19 0.01 0.11 0.00 -1.45 0.00 0.00 58.65 57.51 3dxj h GLN 463 Cb 0.56 0.02 -0.12 0.00 -0.05 0.00 0.00 27.48 27.89 3dxj h GLN 463 CO -0.65 -0.06 -0.42 1.28 -0.95 0.00 0.00 178.83 178.03 3dxj n LEU 464 N -3.90 -0.73 -0.22 1.46 4.77 -0.45 0.09 117.00 118.02 3dxj n LEU 464 Ca -0.01 1.52 0.00 0.00 -0.03 0.00 0.00 56.01 57.49 3dxj n LEU 464 Cb 0.13 -0.28 0.08 0.00 -2.33 0.00 0.00 43.42 41.02 3dxj n LEU 464 CO -0.03 -1.30 0.75 -0.07 -1.33 0.00 0.00 177.39 175.41 3dxj h LEU 465 N 0.00 -0.56 0.36 2.23 3.38 -0.53 -2.04 115.31 118.16 3dxj h LEU 465 Ca 0.22 0.19 -0.02 0.00 0.09 0.00 0.00 57.88 58.37 3dxj h LEU 465 Cb 0.44 0.39 0.00 0.00 0.09 0.00 0.00 40.66 41.58 3dxj h LEU 465 CO -0.83 -0.20 -0.18 0.11 0.09 0.00 0.00 178.44 177.42 3dxj h LYS 466 N 0.02 -0.47 -5.08 1.13 1.57 0.10 -3.32 116.57 110.51 3dxj h LYS 466 Ca 0.32 0.03 -0.27 0.00 -1.87 0.00 0.00 60.65 58.86 3dxj h LYS 466 Cb 0.49 0.11 0.03 0.00 0.08 0.00 0.00 32.23 32.94 3dxj h LYS 466 CO -0.65 -0.32 0.78 0.39 -0.57 0.00 0.00 179.45 179.08 3dxj n GLU 467 N -3.35 0.54 -3.24 3.15 1.02 -0.12 -4.68 120.64 113.96 3dxj n GLU 467 Ca -0.06 -1.72 0.04 0.00 -0.02 0.00 0.00 57.16 55.39 3dxj n GLU 467 Cb 0.20 -3.47 -0.03 0.00 -0.02 0.00 0.00 31.44 28.12 3dxj n GLU 467 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3dxj s LEU 468 N 10.46 -0.45 -0.26 -4.62 2.96 -1.23 -4.75 118.68 120.79 3dxj s LEU 468 Ca 0.74 0.44 -0.13 0.00 -0.22 0.00 0.00 54.13 54.95 3dxj s LEU 468 Cb 0.03 1.44 -0.04 0.00 0.50 0.00 0.00 46.19 48.11 3dxj s LEU 468 CO 0.21 -0.09 0.28 -0.62 -1.32 0.00 0.00 176.35 174.81 3dxj s ASP 469 N 2.64 6.16 -0.01 3.68 -1.08 -1.26 -4.96 116.67 121.85 3dxj s ASP 469 Ca -0.01 0.17 -0.23 0.00 -0.52 0.00 0.00 52.55 51.97 3dxj s ASP 469 Cb -0.07 -2.17 -0.19 0.00 -1.46 0.00 0.00 42.92 39.03 3dxj s ASP 469 CO -0.14 -0.09 1.21 -0.07 0.52 0.00 0.00 175.17 176.59 3dxj h LEU 470 N 8.31 0.25 -1.62 -1.34 3.38 -1.98 -2.92 115.31 119.39 3dxj h LEU 470 Ca -0.34 -0.60 0.50 0.00 0.09 0.00 0.00 57.88 57.54 3dxj h LEU 470 Cb 1.17 -0.07 -0.10 0.00 0.09 0.00 0.00 40.66 41.75 3dxj h LEU 470 CO 0.62 0.80 1.12 -0.62 0.09 0.00 0.00 178.44 180.44 3dxj n GLU 471 N -4.59 -0.02 0.00 1.13 -0.58 -1.26 -0.64 120.64 114.68 3dxj n GLU 471 Ca -0.08 1.11 0.00 0.00 -0.42 0.00 0.00 57.16 57.77 3dxj n GLU 471 Cb 0.40 -2.37 0.00 0.00 -0.57 0.00 0.00 31.44 28.90 3dxj n GLU 471 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3dxj n ALA 472 N -2.71 0.00 -0.28 0.62 0.00 -1.11 -3.78 120.51 113.25 3dxj n ALA 472 Ca 0.41 0.00 0.26 0.00 0.00 0.00 0.00 53.44 54.10 3dxj n ALA 472 Cb 1.72 0.00 0.45 0.00 0.00 0.00 0.00 19.45 21.63 3dxj n ALA 472 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3dxj n LEU 473 N -0.23 0.22 0.00 0.00 7.94 -0.88 -1.27 117.00 122.77 3dxj n LEU 473 Ca 0.00 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 56.03 3dxj n LEU 473 Cb 0.00 -0.55 0.00 0.00 0.53 0.00 0.00 43.42 43.40 3dxj n LEU 473 CO 0.00 -1.25 0.31 1.21 -1.11 0.00 0.00 177.39 176.55 3dxj n GLU 474 N -4.45 0.00 0.31 1.96 2.13 0.19 0.85 120.64 121.63 3dxj n GLU 474 Ca 0.28 0.56 0.20 0.00 0.66 0.00 0.00 57.16 58.85 3dxj n GLU 474 Cb 1.02 -1.12 1.04 0.00 0.27 0.00 0.00 31.44 32.65 3dxj n GLU 474 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 3dxj h LYS 475 N 0.00 0.00 0.74 5.31 1.57 -1.28 -0.77 116.57 122.14 3dxj h LYS 475 Ca 0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 3dxj h LYS 475 Cb 0.00 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.32 3dxj h LYS 475 CO 0.00 0.02 -0.36 1.49 -0.57 0.00 0.00 179.45 180.03 3dxj h GLU 476 N 0.00 -0.96 0.00 3.15 4.81 0.16 -2.77 114.58 118.97 3dxj h GLU 476 Ca -0.00 0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.26 3dxj h GLU 476 Cb 0.12 0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 3dxj h GLU 476 CO 0.00 -0.64 -0.18 -0.07 -0.73 0.00 0.00 179.01 177.40 3dxj h LEU 477 N -1.20 0.00 -2.07 1.64 3.38 0.73 0.94 115.31 118.73 3dxj h LEU 477 Ca -0.10 0.00 0.10 0.00 0.09 0.00 0.00 57.88 57.97 3dxj h LEU 477 Cb 0.76 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 3dxj h LEU 477 CO 0.17 0.18 0.35 0.25 0.09 0.00 0.00 178.44 179.47 3dxj h LEU 478 N 0.00 0.00 -3.09 1.67 5.85 -0.97 0.48 115.31 119.24 3dxj h LEU 478 Ca -0.00 0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.43 3dxj h LEU 478 Cb 0.38 0.00 -0.17 0.00 0.37 0.00 0.00 40.66 41.24 3dxj h LEU 478 CO 0.02 0.00 0.36 -0.62 -0.34 0.00 0.00 178.44 177.86 3dxj n GLU 479 N -3.83 1.70 0.00 1.25 -0.58 0.32 -2.85 120.64 116.66 3dxj n GLU 479 Ca 0.06 -1.66 0.00 0.00 -0.42 0.00 0.00 57.16 55.14 3dxj n GLU 479 Cb 0.51 -1.65 0.00 0.00 -0.57 0.00 0.00 31.44 29.73 3dxj n GLU 479 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3dxj n GLU 480 N -0.40 1.35 -0.31 3.49 1.02 0.13 -4.82 120.64 121.11 3dxj n GLU 480 Ca 0.33 0.00 0.15 0.00 -0.02 0.00 0.00 57.16 57.61 3dxj n GLU 480 Cb 1.15 -0.11 0.32 0.00 -0.02 0.00 0.00 31.44 32.78 3dxj n GLU 480 CO 0.00 0.00 0.00 1.98 1.18 0.00 0.00 177.13 180.29 3dxj h MET 481 N 0.00 0.28 0.00 3.49 4.05 -1.33 -3.34 114.93 118.08 3dxj h MET 481 Ca 0.00 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.40 3dxj h MET 481 Cb 0.00 -0.06 0.00 0.00 -0.80 0.00 0.00 31.60 30.74 3dxj h MET 481 CO 0.00 0.18 -0.45 1.17 0.23 0.00 0.00 176.91 178.05 3dxj n LYS 482 N -5.14 1.83 -0.29 0.39 4.81 -1.26 -4.85 118.16 113.65 3dxj n LYS 482 Ca 0.23 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.58 3dxj n LYS 482 Cb 0.72 -0.72 -0.05 0.00 0.02 0.00 0.00 35.03 34.99 3dxj n LYS 482 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 3dxj h HIS 483 N 0.00 -1.52 -2.07 5.64 3.86 -1.88 -0.13 115.15 119.05 3dxj h HIS 483 Ca 0.00 0.10 -0.74 0.00 -1.16 0.00 0.00 60.37 58.58 3dxj h HIS 483 Cb 0.43 0.77 -0.17 0.00 1.06 0.00 0.00 27.41 29.50 3dxj h HIS 483 CO 0.00 -0.41 1.43 -2.30 0.86 0.00 0.00 177.93 177.51 3dxj n PRO 484 N -5.36 3.37 0.00 2.45 -0.02 -1.25 -4.89 135.00 129.29 3dxj n PRO 484 Ca 0.02 -3.81 0.00 0.00 -2.02 0.00 0.00 63.50 57.69 3dxj n PRO 484 Cb 0.33 -3.06 0.00 0.00 -0.02 0.00 0.00 33.50 30.75 3dxj n PRO 484 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3dxj n SER 485 N 5.70 0.00 0.00 2.55 7.64 -0.06 -3.34 113.62 126.11 3dxj n SER 485 Ca 0.38 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.26 3dxj n SER 485 Cb 0.43 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.63 3dxj n SER 485 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3dxj n ARG 486 N -0.89 1.90 0.00 1.43 1.74 -1.26 -4.80 116.66 114.77 3dxj n ARG 486 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3dxj n ARG 486 Cb 0.00 -0.88 0.00 0.00 -1.02 0.00 0.00 32.46 30.56 3dxj n ARG 486 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3dxj n ALA 487 N -1.88 0.00 0.21 7.54 0.00 -1.21 -3.51 120.51 121.65 3dxj n ALA 487 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 3dxj n ALA 487 Cb 0.38 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.96 3dxj n ALA 487 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3dxj n ARG 488 N 0.00 0.01 0.13 0.00 1.74 -1.26 -2.04 116.66 115.24 3dxj n ARG 488 Ca 0.00 0.38 -0.02 0.00 -0.77 0.00 0.00 57.85 57.44 3dxj n ARG 488 Cb 0.00 -1.50 0.18 0.00 -1.02 0.00 0.00 32.46 30.12 3dxj n ARG 488 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 3dxj h ARG 489 N 0.00 0.07 0.41 5.56 2.43 -1.69 -2.89 114.38 118.27 3dxj h ARG 489 Ca 0.00 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.10 3dxj h ARG 489 Cb 0.10 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 3dxj h ARG 489 CO 0.00 0.63 -0.20 0.00 -1.51 0.00 0.00 179.97 178.89 3dxj h ALA 490 N 1.36 -1.10 -0.43 2.80 0.00 -1.45 -2.99 119.26 117.45 3dxj h ALA 490 Ca -0.00 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 54.86 3dxj h ALA 490 Cb 1.03 0.21 -0.09 0.00 0.00 0.00 0.00 17.79 18.94 3dxj h ALA 490 CO 0.08 -1.06 -0.42 -0.22 0.00 0.00 0.00 179.25 177.62 3dxj h LYS 491 N -0.57 -0.29 0.00 0.00 3.64 -1.74 -2.88 116.57 114.73 3dxj h LYS 491 Ca -0.06 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3dxj h LYS 491 Cb 0.42 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 3dxj h LYS 491 CO 0.09 -0.20 0.00 0.00 -2.27 0.00 0.00 179.45 177.08 3dxj n ALA 492 N -3.07 0.00 -0.31 5.00 0.00 -1.09 -0.02 120.51 121.01 3dxj n ALA 492 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3dxj n ALA 492 Cb 0.35 0.14 0.07 0.00 0.00 0.00 0.00 19.45 20.01 3dxj n ALA 492 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 3dxj h ARG 493 N 0.00 -0.03 -0.10 0.00 0.11 -1.39 0.12 114.38 113.08 3dxj h ARG 493 Ca 0.00 0.00 0.01 0.00 0.10 0.00 0.00 59.98 60.09 3dxj h ARG 493 Cb 0.00 0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.08 3dxj h ARG 493 CO 0.00 -0.02 -0.06 0.87 0.10 0.00 0.00 179.97 180.85 3dxj h LYS 494 N -0.04 -0.01 -0.89 0.08 1.79 -0.23 0.37 116.57 117.64 3dxj h LYS 494 Ca 0.36 0.00 0.17 0.00 -2.18 0.00 0.00 60.65 58.99 3dxj h LYS 494 Cb 0.61 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 31.16 3dxj h LYS 494 CO -0.89 -0.01 0.47 -0.09 -1.08 0.00 0.00 179.45 177.86 3dxj h ARG 495 N -0.01 0.61 -0.33 3.15 2.43 -0.11 -2.84 114.38 117.28 3dxj h ARG 495 Ca 0.02 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.18 3dxj h ARG 495 Cb 0.05 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.43 3dxj h ARG 495 CO -0.09 0.40 0.14 1.25 -1.51 0.00 0.00 179.97 180.16 3dxj h LEU 496 N 0.63 0.18 -0.79 3.80 5.85 0.22 -3.05 115.31 122.15 3dxj h LEU 496 Ca 0.50 0.03 0.11 0.00 0.84 0.00 0.00 57.88 59.36 3dxj h LEU 496 Cb 0.76 -0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.71 3dxj h LEU 496 CO -0.39 0.14 0.41 -0.08 -0.34 0.00 0.00 178.44 178.18 3dxj h GLU 497 N 0.29 0.64 -0.02 1.25 4.57 -0.76 -2.25 114.58 118.30 3dxj h GLU 497 Ca 0.14 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.29 3dxj h GLU 497 Cb 0.09 -0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 28.53 3dxj h GLU 497 CO -0.13 0.43 -0.01 0.28 -1.18 0.00 0.00 179.01 178.40 3dxj n VAL 498 N -4.83 -0.02 -0.34 0.32 0.31 -1.15 -1.39 118.33 111.24 3dxj n VAL 498 Ca 0.14 1.46 -0.10 0.00 -0.01 0.00 0.00 64.34 65.83 3dxj n VAL 498 Cb 0.32 -1.94 -0.09 0.00 -0.91 0.00 0.00 33.84 31.23 3dxj n VAL 498 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3dxj h VAL 499 N 0.00 0.00 -0.99 2.52 2.07 -1.51 0.11 116.25 118.45 3dxj h VAL 499 Ca 0.00 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.71 3dxj h VAL 499 Cb 0.01 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 29.60 3dxj h VAL 499 CO -0.02 0.00 -0.29 -1.14 0.02 0.00 0.00 177.57 176.14 3dxj n ARG 500 N -4.94 -0.14 -0.13 1.57 3.00 -0.48 0.51 116.66 116.05 3dxj n ARG 500 Ca 0.01 1.54 -0.08 0.00 -0.00 0.00 0.00 57.85 59.32 3dxj n ARG 500 Cb 0.23 -2.30 -0.00 0.00 0.00 0.00 0.00 32.46 30.39 3dxj n ARG 500 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3dxj h ALA 501 N 1.79 0.51 0.35 5.13 0.00 0.20 3.49 119.26 130.73 3dxj h ALA 501 Ca 0.43 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.27 3dxj h ALA 501 Cb 0.68 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3dxj h ALA 501 CO -1.01 0.01 -0.17 0.74 0.00 0.00 0.00 179.25 178.82 3dxj h PHE 502 N 0.53 -0.43 -0.89 0.00 0.05 0.22 -0.64 116.94 115.78 3dxj h PHE 502 Ca 0.14 -0.01 0.18 0.00 3.82 0.00 0.00 57.97 62.10 3dxj h PHE 502 Cb 0.00 0.14 -0.17 0.00 2.00 0.00 0.00 35.95 37.93 3dxj h PHE 502 CO -0.03 -0.27 -0.23 -0.07 -0.18 0.00 0.00 178.31 177.53 3dxj h LEU 503 N -0.63 -0.84 0.00 1.54 3.38 1.24 -3.22 115.31 116.78 3dxj h LEU 503 Ca -0.05 0.27 0.00 0.00 0.09 0.00 0.00 57.88 58.19 3dxj h LEU 503 Cb 0.36 0.55 0.00 0.00 0.09 0.00 0.00 40.66 41.66 3dxj h LEU 503 CO 0.08 -0.29 0.00 -0.67 0.09 0.00 0.00 178.44 177.65 3dxj n ASP 504 N -5.57 0.00 -4.56 -0.43 -0.08 1.16 -4.38 116.55 102.69 3dxj n ASP 504 Ca 0.13 0.08 -0.14 0.00 -1.51 0.00 0.00 54.79 53.35 3dxj n ASP 504 Cb 0.45 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 43.83 3dxj n ASP 504 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 3dxj s SER 505 N -1.52 3.85 -0.19 1.67 0.01 -0.25 -4.77 113.70 112.50 3dxj s SER 505 Ca 0.00 -0.24 -0.16 0.00 1.31 0.00 0.00 55.95 56.86 3dxj s SER 505 Cb 0.00 -2.56 -0.07 0.00 0.21 0.00 0.00 66.02 63.60 3dxj s SER 505 CO 0.00 -4.03 0.80 0.61 0.41 0.00 0.00 173.24 171.03 3dxj n GLY 506 N 6.66 -0.06 0.00 3.44 0.00 -1.24 -4.61 105.19 109.38 3dxj n GLY 506 Ca 0.45 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.89 3dxj n GLY 506 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3dxj n ASN 507 N 2.81 0.00 -3.17 1.61 3.02 -1.25 -5.00 115.26 113.29 3dxj n ASN 507 Ca 0.20 0.00 0.04 0.00 -0.03 0.00 0.00 54.58 54.80 3dxj n ASN 507 Cb -0.01 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.14 3dxj n ASN 507 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3dxj s ARG 508 N 1.39 0.40 0.25 3.52 0.52 -1.26 -5.00 118.95 118.78 3dxj s ARG 508 Ca 0.00 0.73 -0.04 0.00 -0.52 0.00 0.00 55.73 55.90 3dxj s ARG 508 Cb 0.00 0.41 0.50 0.00 0.52 0.00 0.00 34.95 36.38 3dxj s ARG 508 CO 0.00 -0.43 1.36 -0.35 0.02 0.00 0.00 175.30 175.91 3dxj n PRO 509 N 5.44 -0.08 -0.36 3.54 -0.04 -1.26 0.83 135.00 143.07 3dxj n PRO 509 Ca -0.04 1.34 0.31 0.00 -0.04 0.00 0.00 63.50 65.07 3dxj n PRO 509 Cb 0.52 -2.05 0.57 0.00 -0.04 0.00 0.00 33.50 32.50 3dxj n PRO 509 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3dxj h GLU 510 N 0.00 0.11 -1.03 0.54 3.07 -1.89 0.23 114.58 115.61 3dxj h GLU 510 Ca 0.46 -0.01 0.27 0.00 -0.50 0.00 0.00 59.36 59.58 3dxj h GLU 510 Cb 0.81 -0.02 -0.12 0.00 -0.84 0.00 0.00 28.75 28.57 3dxj h GLU 510 CO -0.87 0.07 0.62 -1.49 -1.40 0.00 0.00 179.01 175.94 3dxj h TRP 511 N 0.11 0.90 0.00 4.33 -0.00 0.07 -0.53 115.95 120.82 3dxj h TRP 511 Ca 0.81 0.03 0.00 0.00 -0.00 0.00 0.00 58.89 59.73 3dxj h TRP 511 Cb 2.17 -0.25 0.00 0.00 -0.00 0.00 0.00 29.16 31.08 3dxj h TRP 511 CO -0.01 0.03 0.05 -1.33 -0.00 0.00 0.00 178.44 177.18 3dxj n MET 512 N -4.83 0.04 -3.71 0.49 2.81 0.79 -4.60 117.12 108.11 3dxj n MET 512 Ca 0.27 0.51 -0.21 0.00 -1.81 0.00 0.00 57.70 56.46 3dxj n MET 512 Cb 0.83 -1.68 -0.01 0.00 -0.71 0.00 0.00 33.22 31.65 3dxj n MET 512 CO 0.00 0.00 0.00 -1.50 1.51 0.00 0.00 175.97 175.98 3dxj s ILE 513 N -3.09 4.82 0.10 2.02 1.10 -0.21 -2.48 121.20 123.47 3dxj s ILE 513 Ca -0.01 -0.91 0.07 0.00 -0.51 0.00 0.00 60.65 59.29 3dxj s ILE 513 Cb 0.02 -3.71 -0.03 0.00 0.15 0.00 0.00 42.46 38.89 3dxj s ILE 513 CO 0.06 -0.30 -0.18 -0.76 -2.11 0.00 0.00 174.94 171.64 3dxj s LEU 514 N -4.10 2.32 0.00 8.50 1.43 0.91 -4.86 118.68 122.88 3dxj s LEU 514 Ca 0.39 -0.70 0.00 0.00 -1.03 0.00 0.00 54.13 52.78 3dxj s LEU 514 Cb -0.09 -0.75 0.00 0.00 0.03 0.00 0.00 46.19 45.38 3dxj s LEU 514 CO 0.31 -0.01 0.00 -1.84 0.23 0.00 0.00 176.35 175.04 3dxj n GLU 515 N 0.98 0.00 -3.71 1.70 0.28 -1.26 0.30 120.64 118.92 3dxj n GLU 515 Ca -0.19 0.00 -0.29 0.00 -0.16 0.00 0.00 57.16 56.53 3dxj n GLU 515 Cb 0.54 0.00 -0.12 0.00 1.43 0.00 0.00 31.44 33.29 3dxj n GLU 515 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3dxj s ALA 516 N 0.00 2.51 -0.36 -1.84 0.00 -1.26 0.17 121.76 120.97 3dxj s ALA 516 Ca 0.00 -2.93 -0.25 0.00 0.00 0.00 0.00 51.96 48.78 3dxj s ALA 516 Cb 0.00 -1.92 0.01 0.00 0.00 0.00 0.00 23.12 21.21 3dxj s ALA 516 CO 0.00 -2.05 0.89 0.08 0.00 0.00 0.00 175.76 174.68 3dxj s VAL 517 N -0.21 4.63 0.91 0.00 1.01 -0.76 -4.89 120.40 121.10 3dxj s VAL 517 Ca 0.22 1.13 -0.11 0.00 0.00 0.00 0.00 61.98 63.23 3dxj s VAL 517 Cb -0.14 -4.30 0.14 0.00 0.00 0.00 0.00 36.38 32.08 3dxj s VAL 517 CO -0.08 -0.50 1.12 -2.84 0.00 0.00 0.00 175.10 172.80 3dxj s PRO 518 N 3.37 1.08 -0.06 2.72 0.02 -1.26 -1.12 135.00 139.75 3dxj s PRO 518 Ca 0.36 1.33 -0.02 0.00 0.02 0.00 0.00 61.00 62.69 3dxj s PRO 518 Cb -0.12 -1.75 0.04 0.00 0.02 0.00 0.00 34.50 32.69 3dxj s PRO 518 CO 0.18 -2.51 0.13 0.08 -0.33 0.00 0.00 177.00 174.54 3dxj s VAL 519 N -2.71 -0.10 0.59 3.83 1.01 0.15 -4.84 120.40 118.33 3dxj s VAL 519 Ca 0.65 0.24 -0.20 0.00 0.00 0.00 0.00 61.98 62.67 3dxj s VAL 519 Cb -0.21 -0.23 -0.04 0.00 0.00 0.00 0.00 36.38 35.90 3dxj s VAL 519 CO 0.58 0.10 1.21 -0.11 0.00 0.00 0.00 175.10 176.88 3dxj n LEU 520 N 4.50 5.01 -4.75 3.92 7.94 -1.26 -3.08 117.00 129.28 3dxj n LEU 520 Ca -0.21 0.89 -0.37 0.00 -1.11 0.00 0.00 56.01 55.21 3dxj n LEU 520 Cb 0.51 -1.51 0.04 0.00 0.53 0.00 0.00 43.42 43.00 3dxj n LEU 520 CO 0.15 -1.11 0.92 -2.84 -1.11 0.00 0.00 177.39 173.40 3dxj s PRO 521 N -2.95 2.96 0.09 1.96 0.02 -1.22 -4.78 135.00 131.09 3dxj s PRO 521 Ca 0.76 2.07 -0.29 0.00 0.02 0.00 0.00 61.00 63.56 3dxj s PRO 521 Cb -0.41 -2.07 -0.12 0.00 0.02 0.00 0.00 34.50 31.92 3dxj s PRO 521 CO 0.46 -1.28 1.46 -1.35 -0.33 0.00 0.00 177.00 175.96 3dxj h PRO 522 N 1.09 -0.57 0.00 5.54 0.11 -1.49 -1.88 132.00 134.80 3dxj h PRO 522 Ca -0.51 0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3dxj h PRO 522 Cb 1.31 0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.55 3dxj h PRO 522 CO 0.56 -0.38 0.00 -0.25 -0.21 0.00 0.00 178.00 177.72 3dxj n ASP 523 N -4.96 0.00 -0.00 -2.05 8.00 -1.11 0.93 116.55 117.35 3dxj n ASP 523 Ca -0.06 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.53 3dxj n ASP 523 Cb 0.34 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.31 3dxj n ASP 523 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3dxj n LEU 524 N -0.85 0.65 -2.79 0.64 4.77 -0.71 -4.27 117.00 114.45 3dxj n LEU 524 Ca 0.00 -0.35 -0.02 0.00 -0.03 0.00 0.00 56.01 55.60 3dxj n LEU 524 Cb 0.00 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.14 3dxj n LEU 524 CO 0.00 0.16 -0.02 -2.11 -1.33 0.00 0.00 177.39 174.09 3dxj n ARG 525 N -1.68 1.57 -0.83 3.23 1.85 0.26 -5.03 116.66 116.04 3dxj n ARG 525 Ca 0.02 -3.38 -0.35 0.00 -1.00 0.00 0.00 57.85 53.13 3dxj n ARG 525 Cb 0.37 -1.46 0.11 0.00 -1.05 0.00 0.00 32.46 30.42 3dxj n ARG 525 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 3dxj n PRO 526 N -0.49 -0.83 -3.70 2.89 -0.02 -0.09 -4.46 135.00 128.30 3dxj n PRO 526 Ca 0.07 -0.23 -0.28 0.00 -2.02 0.00 0.00 63.50 61.03 3dxj n PRO 526 Cb 0.81 -1.37 -0.16 0.00 -0.02 0.00 0.00 33.50 32.76 3dxj n PRO 526 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 3dxj s MET 527 N -2.76 0.56 0.04 -0.52 1.75 -1.26 -4.08 119.30 113.03 3dxj s MET 527 Ca 0.47 -0.62 0.07 0.00 -1.25 0.00 0.00 55.69 54.36 3dxj s MET 527 Cb -0.02 -1.90 -0.02 0.00 2.84 0.00 0.00 34.83 35.73 3dxj s MET 527 CO 0.66 -0.81 -0.20 0.08 -0.65 0.00 0.00 175.02 174.10 3dxj s VAL 528 N 1.84 1.63 0.44 10.11 1.01 -0.52 -4.92 120.40 129.99 3dxj s VAL 528 Ca 0.04 -1.17 -0.23 0.00 0.00 0.00 0.00 61.98 60.62 3dxj s VAL 528 Cb -0.17 -1.41 -0.08 0.00 0.00 0.00 0.00 36.38 34.72 3dxj s VAL 528 CO -0.18 0.20 1.10 -1.58 0.00 0.00 0.00 175.10 174.65 3dxj s GLN 529 N -1.14 3.94 0.00 2.72 0.74 -1.26 0.08 119.66 124.74 3dxj s GLN 529 Ca 0.07 1.62 0.00 0.00 0.05 0.00 0.00 55.36 57.10 3dxj s GLN 529 Cb -0.09 -2.44 0.00 0.00 1.10 0.00 0.00 33.01 31.59 3dxj s GLN 529 CO 0.02 -0.36 0.00 1.33 -0.55 0.00 0.00 175.29 175.72 3dxj n VAL 530 N -0.35 0.00 -3.94 1.34 0.24 1.29 -4.86 118.33 112.05 3dxj n VAL 530 Ca 0.06 0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 62.01 3dxj n VAL 530 Cb 0.49 -0.11 -0.13 0.00 -1.47 0.00 0.00 33.84 32.62 3dxj n VAL 530 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3dxj s ASP 531 N 1.00 4.75 -0.76 -1.34 2.15 -1.11 -4.77 116.67 116.58 3dxj s ASP 531 Ca 0.00 -0.26 -0.11 0.00 0.43 0.00 0.00 52.55 52.61 3dxj s ASP 531 Cb 0.00 -1.83 0.01 0.00 -0.30 0.00 0.00 42.92 40.81 3dxj s ASP 531 CO 0.00 0.01 0.20 0.61 -0.17 0.00 0.00 175.17 175.82 3dxj n GLY 532 N 4.60 -0.28 0.30 2.66 0.00 -1.26 -1.58 105.19 109.64 3dxj n GLY 532 Ca -0.17 0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3dxj n GLY 532 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dxj n GLY 533 N -1.72 0.91 3.23 -0.02 0.00 -1.26 -5.10 105.19 101.22 3dxj n GLY 533 Ca -0.12 -0.16 -0.13 0.00 0.00 0.00 0.00 46.02 45.61 3dxj n GLY 533 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3dxj s ARG 534 N -0.32 1.00 0.26 1.61 3.52 -0.61 -5.00 118.95 119.40 3dxj s ARG 534 Ca 0.00 -1.42 0.03 0.00 -0.13 0.00 0.00 55.73 54.21 3dxj s ARG 534 Cb 0.00 -0.48 -0.01 0.00 -1.56 0.00 0.00 34.95 32.89 3dxj s ARG 534 CO 0.00 0.04 0.12 1.19 -0.81 0.00 0.00 175.30 175.83 3dxj n PHE 535 N -0.16 -0.05 -3.86 5.12 3.01 -1.26 0.39 117.46 120.66 3dxj n PHE 535 Ca -0.11 -1.74 -0.09 0.00 1.01 0.00 0.00 57.45 56.53 3dxj n PHE 535 Cb 0.61 0.04 -0.08 0.00 -0.01 0.00 0.00 39.48 40.04 3dxj n PHE 535 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3dxj s ALA 536 N -2.76 -0.23 0.10 4.37 0.00 0.11 -4.80 121.76 118.56 3dxj s ALA 536 Ca 0.16 -0.57 -0.02 0.00 0.00 0.00 0.00 51.96 51.53 3dxj s ALA 536 Cb 0.01 0.44 0.01 0.00 0.00 0.00 0.00 23.12 23.58 3dxj s ALA 536 CO 0.12 -0.48 0.18 0.25 0.00 0.00 0.00 175.76 175.83 3dxj n THR 537 N 0.09 0.00 -3.96 0.00 -2.24 -1.26 -1.43 114.28 105.47 3dxj n THR 537 Ca -0.16 -0.38 -0.31 0.00 -2.27 0.00 0.00 64.05 60.93 3dxj n THR 537 Cb 0.62 0.29 -0.05 0.00 -2.10 0.00 0.00 70.33 69.09 3dxj n THR 537 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3dxj s SER 538 N -1.59 6.09 0.40 3.42 0.15 -1.26 -5.00 113.70 115.92 3dxj s SER 538 Ca 0.06 0.18 0.11 0.00 0.70 0.00 0.00 55.95 57.00 3dxj s SER 538 Cb -0.01 -1.81 0.93 0.00 -1.71 0.00 0.00 66.02 63.42 3dxj s SER 538 CO 0.04 0.17 1.96 0.44 1.20 0.00 0.00 173.24 177.06 3dxj h ASP 539 N 3.17 0.48 -0.27 5.45 3.32 -1.97 -3.08 116.42 123.52 3dxj h ASP 539 Ca -0.46 0.01 0.02 0.00 0.02 0.00 0.00 57.03 56.63 3dxj h ASP 539 Cb 1.16 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.59 3dxj h ASP 539 CO 0.73 0.29 -0.16 0.18 -1.72 0.00 0.00 179.24 178.56 3dxj n LEU 540 N -4.48 -0.28 -0.29 1.55 4.77 -1.26 0.47 117.00 117.48 3dxj n LEU 540 Ca 0.11 1.13 -0.06 0.00 -0.03 0.00 0.00 56.01 57.16 3dxj n LEU 540 Cb 0.35 -0.39 -0.05 0.00 -2.33 0.00 0.00 43.42 41.00 3dxj n LEU 540 CO 0.33 -0.72 0.35 0.59 -1.33 0.00 0.00 177.39 176.62 3dxj n ASN 541 N -3.57 -0.69 0.02 -1.43 3.02 -1.16 0.37 115.26 111.81 3dxj n ASN 541 Ca 0.01 1.25 -0.15 0.00 -0.03 0.00 0.00 54.58 55.66 3dxj n ASN 541 Cb 0.07 -0.18 -0.09 0.00 -0.61 0.00 0.00 39.78 38.97 3dxj n ASN 541 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 3dxj h ASP 542 N 0.00 -1.59 -0.06 6.41 5.19 -0.12 2.74 116.42 129.00 3dxj h ASP 542 Ca 0.14 0.19 0.02 0.00 -0.62 0.00 0.00 57.03 56.76 3dxj h ASP 542 Cb 0.31 0.62 -0.05 0.00 0.18 0.00 0.00 39.33 40.40 3dxj h ASP 542 CO -0.67 -0.48 -0.44 -0.07 -3.12 0.00 0.00 179.24 174.46 3dxj h LEU 543 N -0.59 -1.37 -0.89 1.55 3.38 0.56 -0.63 115.31 117.32 3dxj h LEU 543 Ca 0.04 0.16 0.11 0.00 0.09 0.00 0.00 57.88 58.28 3dxj h LEU 543 Cb 0.68 0.53 -0.13 0.00 0.09 0.00 0.00 40.66 41.83 3dxj h LEU 543 CO -0.40 -0.41 -0.48 1.88 0.09 0.00 0.00 178.44 179.12 3dxj h TYR 544 N -0.51 -1.47 0.00 1.13 0.05 0.80 -2.17 116.97 114.80 3dxj h TYR 544 Ca 0.02 0.11 0.00 0.00 0.05 0.00 0.00 58.73 58.91 3dxj h TYR 544 Cb 0.57 0.77 0.00 0.00 1.01 0.00 0.00 36.73 39.07 3dxj h TYR 544 CO -0.53 -0.40 0.00 0.54 -1.05 0.00 0.00 178.16 176.73 3dxj n ARG 545 N -5.37 0.00 -0.09 4.88 1.74 0.91 -1.48 116.66 117.25 3dxj n ARG 545 Ca 0.05 0.17 0.01 0.00 -0.77 0.00 0.00 57.85 57.30 3dxj n ARG 545 Cb 0.33 -0.70 0.03 0.00 -1.02 0.00 0.00 32.46 31.11 3dxj n ARG 545 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 3dxj n ARG 546 N -0.36 -0.03 0.01 5.56 1.85 -0.73 0.12 116.66 123.07 3dxj n ARG 546 Ca 0.00 0.39 -0.02 0.00 -1.00 0.00 0.00 57.85 57.22 3dxj n ARG 546 Cb 0.00 -0.58 -0.01 0.00 -1.05 0.00 0.00 32.46 30.81 3dxj n ARG 546 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 177.63 178.87 3dxj h LEU 547 N 0.00 -0.20 -0.75 2.89 5.85 -0.67 -0.90 115.31 121.53 3dxj h LEU 547 Ca 0.11 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.92 3dxj h LEU 547 Cb 0.17 0.07 -0.09 0.00 0.37 0.00 0.00 40.66 41.19 3dxj h LEU 547 CO -0.26 -0.06 -0.47 0.40 -0.34 0.00 0.00 178.44 177.71 3dxj h ILE 548 N -0.08 0.00 -0.37 4.05 2.04 0.21 0.72 117.51 124.07 3dxj h ILE 548 Ca 0.00 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.89 3dxj h ILE 548 Cb 0.09 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.12 3dxj h ILE 548 CO -0.04 0.00 -0.22 0.59 0.00 0.00 0.00 178.15 178.48 3dxj n ASN 549 N -4.80 -0.40 -0.02 1.72 5.03 -0.60 -0.49 115.26 115.71 3dxj n ASN 549 Ca 0.01 0.92 -0.11 0.00 0.87 0.00 0.00 54.58 56.27 3dxj n ASN 549 Cb 0.21 -0.21 -0.07 0.00 -1.02 0.00 0.00 39.78 38.69 3dxj n ASN 549 CO 0.00 0.00 0.00 0.03 -1.83 0.00 0.00 177.26 175.46 3dxj h ARG 550 N 0.00 -0.38 -0.50 3.52 3.08 0.53 0.33 114.38 120.96 3dxj h ARG 550 Ca 0.06 0.03 0.09 0.00 0.07 0.00 0.00 59.98 60.22 3dxj h ARG 550 Cb 0.15 0.09 -0.10 0.00 0.08 0.00 0.00 29.97 30.19 3dxj h ARG 550 CO -0.35 -0.25 -0.38 -0.97 -1.07 0.00 0.00 179.97 176.95 3dxj h ASN 551 N -0.39 -1.27 -0.93 7.04 -1.24 0.35 0.29 115.58 119.43 3dxj h ASN 551 Ca 0.03 0.22 0.02 0.00 0.71 0.00 0.00 56.30 57.28 3dxj h ASN 551 Cb 0.48 0.59 -0.05 0.00 0.73 0.00 0.00 38.32 40.07 3dxj h ASN 551 CO -0.33 -0.33 0.61 0.78 -1.29 0.00 0.00 177.43 176.87 3dxj h ASN 552 N -0.23 1.03 0.64 1.15 2.35 -0.80 -0.55 115.58 119.17 3dxj h ASN 552 Ca 0.19 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.89 3dxj h ASN 552 Cb 0.56 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.67 3dxj h ASN 552 CO -0.63 0.73 -0.45 -0.09 -1.65 0.00 0.00 177.43 175.34 3dxj h ARG 553 N 1.21 -1.01 -0.88 0.81 2.43 0.90 -2.82 114.38 115.02 3dxj h ARG 553 Ca 0.36 0.07 0.11 0.00 -0.81 0.00 0.00 59.98 59.70 3dxj h ARG 553 Cb -0.06 0.23 -0.12 0.00 -0.42 0.00 0.00 29.97 29.60 3dxj h ARG 553 CO -0.10 -0.67 -0.43 -0.11 -1.51 0.00 0.00 179.97 177.15 3dxj n LEU 554 N -5.57 -0.75 -0.33 3.80 7.94 0.85 -1.22 117.00 121.73 3dxj n LEU 554 Ca -0.13 1.55 -0.09 0.00 -1.11 0.00 0.00 56.01 56.23 3dxj n LEU 554 Cb 0.45 -0.28 -0.08 0.00 0.53 0.00 0.00 43.42 44.05 3dxj n LEU 554 CO 0.33 -1.33 0.46 0.29 -1.11 0.00 0.00 177.39 176.03 3dxj n LYS 555 N -5.20 -0.35 -0.11 1.96 5.02 -0.32 -1.10 118.16 118.05 3dxj n LYS 555 Ca 0.05 1.35 -0.12 0.00 -2.02 0.00 0.00 58.31 57.58 3dxj n LYS 555 Cb 0.29 -2.00 -0.06 0.00 -0.02 0.00 0.00 35.03 33.24 3dxj n LYS 555 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 3dxj h LYS 556 N 0.00 -0.37 -0.86 1.97 1.57 -1.09 0.52 116.57 118.31 3dxj h LYS 556 Ca 0.13 0.02 0.21 0.00 -1.87 0.00 0.00 60.65 59.14 3dxj h LYS 556 Cb 0.33 0.08 -0.15 0.00 0.08 0.00 0.00 32.23 32.56 3dxj h LYS 556 CO -0.75 -0.24 -0.01 -0.07 -0.57 0.00 0.00 179.45 177.81 3dxj h LEU 557 N -0.38 -0.44 0.03 2.94 3.38 -0.89 2.94 115.31 122.90 3dxj h LEU 557 Ca 0.11 0.23 -0.00 0.00 0.09 0.00 0.00 57.88 58.31 3dxj h LEU 557 Cb 0.60 0.42 0.00 0.00 0.09 0.00 0.00 40.66 41.77 3dxj h LEU 557 CO -0.56 -0.25 -0.02 -0.07 0.09 0.00 0.00 178.44 177.64 3dxj h LEU 558 N 0.07 -0.04 -1.13 1.67 3.38 -0.29 0.12 115.31 119.10 3dxj h LEU 558 Ca 0.48 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3dxj h LEU 558 Cb 0.90 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.66 3dxj h LEU 558 CO -0.78 0.32 0.22 0.00 0.09 0.00 0.00 178.44 178.29 3dxj h ALA 559 N 0.55 1.15 -0.62 1.53 0.00 0.55 1.12 119.26 123.55 3dxj h ALA 559 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3dxj h ALA 559 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3dxj h ALA 559 CO 0.01 -0.15 0.00 0.94 0.00 0.00 0.00 179.25 180.04 3dxj n GLN 560 N -2.18 2.72 -4.00 0.00 -0.06 0.92 -4.97 117.38 109.82 3dxj n GLN 560 Ca -0.01 -2.49 -0.35 0.00 -2.00 0.00 0.00 57.00 52.15 3dxj n GLN 560 Cb 0.25 -1.50 0.00 0.00 -4.06 0.00 0.00 30.24 24.93 3dxj n GLN 560 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3dxj n GLY 561 N 1.40 -0.56 3.94 1.69 0.00 0.39 -4.88 105.19 107.17 3dxj n GLY 561 Ca 0.21 0.24 -0.24 0.00 0.00 0.00 0.00 46.02 46.22 3dxj n GLY 561 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dxj s ALA 562 N -3.90 3.58 -0.39 4.61 0.00 -0.94 -4.98 121.76 119.73 3dxj s ALA 562 Ca 0.33 -0.91 -0.32 0.00 0.00 0.00 0.00 51.96 51.06 3dxj s ALA 562 Cb -0.18 -2.32 -0.10 0.00 0.00 0.00 0.00 23.12 20.51 3dxj s ALA 562 CO 0.75 -0.53 2.27 -2.30 0.00 0.00 0.00 175.76 175.95 3dxj n PRO 563 N -2.27 1.15 0.24 0.00 -0.02 -1.26 -4.73 135.00 128.11 3dxj n PRO 563 Ca 0.03 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 3dxj n PRO 563 Cb 0.58 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.38 3dxj n PRO 563 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3dxj n GLU 564 N 8.44 0.02 0.00 -0.52 -0.00 -1.26 -1.79 120.64 125.54 3dxj n GLU 564 Ca 0.40 0.70 0.00 0.00 -0.00 0.00 0.00 57.16 58.26 3dxj n GLU 564 Cb 0.30 -2.34 0.00 0.00 -0.00 0.00 0.00 31.44 29.40 3dxj n GLU 564 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.13 178.64 3dxj n ILE 565 N -2.08 0.00 -0.34 3.84 3.06 -1.26 0.29 119.36 122.87 3dxj n ILE 565 Ca 0.00 0.99 0.25 0.00 -2.50 0.00 0.00 62.75 61.48 3dxj n ILE 565 Cb 0.85 -1.94 0.49 0.00 0.54 0.00 0.00 39.64 39.58 3dxj n ILE 565 CO 0.00 0.00 0.00 0.16 -2.50 0.00 0.00 176.55 174.21 3dxj h ILE 566 N 0.00 0.31 0.00 9.51 3.07 -1.74 1.42 117.51 130.09 3dxj h ILE 566 Ca 0.00 -0.11 0.00 0.00 1.55 0.00 0.00 64.86 66.30 3dxj h ILE 566 Cb 0.00 -0.04 0.00 0.00 -0.27 0.00 0.00 36.82 36.51 3dxj h ILE 566 CO 0.00 0.06 0.00 -0.38 -1.05 0.00 0.00 178.15 176.78 3dxj n ILE 567 N -4.98 0.00 -0.15 0.16 2.08 -0.98 0.32 119.36 115.80 3dxj n ILE 567 Ca 0.32 1.32 -0.05 0.00 0.56 0.00 0.00 62.75 64.90 3dxj n ILE 567 Cb 1.00 -2.17 -0.04 0.00 -0.75 0.00 0.00 39.64 37.68 3dxj n ILE 567 CO 0.00 0.00 0.00 -0.09 0.56 0.00 0.00 176.55 177.02 3dxj h ARG 568 N 0.00 -0.04 -0.86 0.38 9.65 0.79 1.08 114.38 125.37 3dxj h ARG 568 Ca 0.00 0.00 0.16 0.00 -1.10 0.00 0.00 59.98 59.05 3dxj h ARG 568 Cb 0.00 0.01 -0.16 0.00 -1.39 0.00 0.00 29.97 28.43 3dxj h ARG 568 CO 0.00 -0.02 -0.24 -1.71 2.80 0.00 0.00 179.97 180.79 3dxj n ASN 569 N -3.95 -0.36 0.15 -3.80 5.15 0.45 0.79 115.26 113.69 3dxj n ASN 569 Ca 0.00 1.49 -0.10 0.00 -0.60 0.00 0.00 54.58 55.37 3dxj n ASN 569 Cb 0.12 -0.43 -0.06 0.00 -0.53 0.00 0.00 39.78 38.89 3dxj n ASN 569 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 3dxj h GLU 570 N 0.00 -0.53 -0.93 1.20 4.57 1.31 -1.10 114.58 119.10 3dxj h GLU 570 Ca 0.39 0.04 0.15 0.00 -1.18 0.00 0.00 59.36 58.76 3dxj h GLU 570 Cb 0.61 0.12 -0.15 0.00 -0.16 0.00 0.00 28.75 29.16 3dxj h GLU 570 CO -0.88 -0.35 -0.34 1.63 -1.18 0.00 0.00 179.01 177.89 3dxj n LYS 571 N -4.12 -0.20 0.00 1.92 5.02 0.24 0.36 118.16 121.38 3dxj n LYS 571 Ca -0.06 1.43 0.00 0.00 -2.02 0.00 0.00 58.31 57.66 3dxj n LYS 571 Cb 0.26 -2.13 0.00 0.00 -0.02 0.00 0.00 35.03 33.14 3dxj n LYS 571 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 3dxj n ARG 572 N -5.39 0.00 -0.28 1.97 0.63 0.18 -0.16 116.66 113.60 3dxj n ARG 572 Ca 0.10 0.87 0.01 0.00 -0.92 0.00 0.00 57.85 57.91 3dxj n ARG 572 Cb 0.39 -1.33 0.07 0.00 0.45 0.00 0.00 32.46 32.04 3dxj n ARG 572 CO 0.00 0.00 0.00 0.52 -2.51 0.00 0.00 177.63 175.64 3dxj h MET 573 N 0.00 -0.03 -0.13 -0.14 0.00 0.11 -0.32 114.93 114.41 3dxj h MET 573 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 59.70 59.73 3dxj h MET 573 Cb 0.00 0.01 -0.06 0.00 0.00 0.00 0.00 31.60 31.55 3dxj h MET 573 CO 0.00 -0.02 -0.48 1.25 0.00 0.00 0.00 176.91 177.66 3dxj h LEU 574 N -0.04 -1.52 -0.89 1.22 5.85 0.86 -0.21 115.31 120.59 3dxj h LEU 574 Ca 0.35 0.18 0.17 0.00 0.84 0.00 0.00 57.88 59.42 3dxj h LEU 574 Cb 0.59 0.59 -0.17 0.00 0.37 0.00 0.00 40.66 42.05 3dxj h LEU 574 CO -0.83 -0.42 -0.26 -0.61 -0.34 0.00 0.00 178.44 175.98 3dxj h GLN 575 N -0.50 -0.01 -0.07 1.25 5.75 0.11 0.35 115.11 122.00 3dxj h GLN 575 Ca 0.03 0.00 0.01 0.00 -0.15 0.00 0.00 58.65 58.55 3dxj h GLN 575 Cb 0.59 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.11 3dxj h GLN 575 CO -0.39 -0.01 -0.26 1.49 -2.65 0.00 0.00 178.83 177.01 3dxj h GLU 576 N -0.01 -0.27 -0.97 1.69 4.81 -0.19 0.70 114.58 120.33 3dxj h GLU 576 Ca 0.41 0.02 0.32 0.00 -0.13 0.00 0.00 59.36 59.97 3dxj h GLU 576 Cb 0.64 0.06 -0.16 0.00 0.63 0.00 0.00 28.75 29.92 3dxj h GLU 576 CO -0.92 -0.18 0.42 0.00 -0.73 0.00 0.00 179.01 177.60 3dxj h ALA 577 N -0.88 1.75 -1.35 2.92 0.00 0.10 0.84 119.26 122.64 3dxj h ALA 577 Ca 0.02 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3dxj h ALA 577 Cb 0.33 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3dxj h ALA 577 CO -0.21 -0.63 0.00 0.28 0.00 0.00 0.00 179.25 178.68 3dxj n VAL 578 N -5.19 0.00 -0.20 0.00 0.31 0.91 -0.88 118.33 113.29 3dxj n VAL 578 Ca 0.30 1.28 -0.01 0.00 -0.01 0.00 0.00 64.34 65.90 3dxj n VAL 578 Cb 0.96 -2.04 0.10 0.00 -0.91 0.00 0.00 33.84 31.95 3dxj n VAL 578 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 3dxj h ASP 579 N 0.00 0.28 -0.94 4.52 3.32 -0.10 0.61 116.42 124.12 3dxj h ASP 579 Ca 0.00 0.07 0.29 0.00 0.02 0.00 0.00 57.03 57.40 3dxj h ASP 579 Cb 0.00 0.03 -0.17 0.00 0.22 0.00 0.00 39.33 39.41 3dxj h ASP 579 CO 0.00 0.17 0.12 0.00 -1.72 0.00 0.00 179.24 177.82 3dxj n ALA 580 N -2.43 0.58 -0.10 3.45 0.00 0.28 -0.69 120.51 121.60 3dxj n ALA 580 Ca 0.08 1.00 0.00 0.00 0.00 0.00 0.00 53.44 54.52 3dxj n ALA 580 Cb 0.25 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 18.91 3dxj n ALA 580 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3dxj n LEU 581 N -5.33 0.13 -0.14 0.00 7.94 0.17 -2.82 117.00 116.95 3dxj n LEU 581 Ca 0.25 0.73 -0.04 0.00 -1.11 0.00 0.00 56.01 55.84 3dxj n LEU 581 Cb 0.83 -0.45 -0.03 0.00 0.53 0.00 0.00 43.42 44.29 3dxj n LEU 581 CO -0.05 -0.45 0.33 0.18 -1.11 0.00 0.00 177.39 176.28 3dxj n LEU 582 N -1.86 -0.35 -3.50 -1.96 4.77 -0.35 -2.86 117.00 110.90 3dxj n LEU 582 Ca 0.00 0.93 -0.22 0.00 -0.03 0.00 0.00 56.01 56.69 3dxj n LEU 582 Cb 0.00 -0.24 -0.13 0.00 -2.33 0.00 0.00 43.42 40.71 3dxj n LEU 582 CO 0.00 -0.65 -0.25 -0.62 -1.33 0.00 0.00 177.39 174.54 3dxj s ASP 583 N -4.17 2.18 0.33 -1.43 2.15 0.13 -1.59 116.67 114.26 3dxj s ASP 583 Ca -0.04 -0.71 -0.27 0.00 0.43 0.00 0.00 52.55 51.96 3dxj s ASP 583 Cb 0.04 0.13 -0.09 0.00 -0.30 0.00 0.00 42.92 42.69 3dxj s ASP 583 CO 0.21 -0.38 1.10 0.21 -0.17 0.00 0.00 175.17 176.14 3dxj s ASN 584 N 2.25 7.04 0.00 -0.34 2.47 -1.13 -3.64 114.94 121.59 3dxj s ASN 584 Ca 0.07 2.22 0.00 0.00 0.42 0.00 0.00 52.86 55.57 3dxj s ASN 584 Cb -0.15 -2.61 0.00 0.00 -1.45 0.00 0.00 41.25 37.03 3dxj s ASN 584 CO -0.24 -0.30 0.00 0.61 -3.72 0.00 0.00 177.10 173.45 3dxj n GLY 585 N 0.90 3.36 0.00 1.21 0.00 -1.23 -4.90 105.19 104.53 3dxj n GLY 585 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3dxj n GLY 585 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dxj n ARG 586 N -2.00 0.02 -3.02 1.61 5.12 -1.24 -4.02 116.66 113.13 3dxj n ARG 586 Ca 0.00 0.08 0.05 0.00 -1.93 0.00 0.00 57.85 56.05 3dxj n ARG 586 Cb 0.00 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 29.80 3dxj n ARG 586 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 3dxj s ARG 587 N -2.16 0.09 0.31 5.56 3.52 -1.26 -5.01 118.95 119.99 3dxj s ARG 587 Ca 0.01 0.04 0.00 0.00 -0.13 0.00 0.00 55.73 55.65 3dxj s ARG 587 Cb 0.00 0.03 0.00 0.00 -1.56 0.00 0.00 34.95 33.42 3dxj s ARG 587 CO 0.01 -0.15 0.00 0.41 -0.81 0.00 0.00 175.30 174.76 3dxj n GLY 588 N 4.62 -3.32 2.82 8.12 0.00 -1.26 -4.96 105.19 111.21 3dxj n GLY 588 Ca 0.09 -1.12 -0.22 0.00 0.00 0.00 0.00 46.02 44.76 3dxj n GLY 588 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dxj s ALA 589 N -4.40 0.69 0.04 4.61 0.00 -1.26 -3.52 121.76 117.92 3dxj s ALA 589 Ca 0.00 -0.10 -0.14 0.00 0.00 0.00 0.00 51.96 51.72 3dxj s ALA 589 Cb 0.00 -0.61 -0.06 0.00 0.00 0.00 0.00 23.12 22.45 3dxj s ALA 589 CO 0.00 -0.28 0.43 -1.25 0.00 0.00 0.00 175.76 174.66 3dxj s PRO 590 N 1.53 3.91 0.20 0.00 0.04 -1.26 -5.02 135.00 134.41 3dxj s PRO 590 Ca -0.02 0.40 0.03 0.00 0.04 0.00 0.00 61.00 61.45 3dxj s PRO 590 Cb -0.13 -3.15 -0.05 0.00 0.04 0.00 0.00 34.50 31.21 3dxj s PRO 590 CO -0.03 0.64 0.00 0.14 0.04 0.00 0.00 177.00 177.79 3dxj s VAL 591 N -1.18 0.84 -0.64 -0.36 -7.23 -1.26 -3.15 120.40 107.41 3dxj s VAL 591 Ca 0.27 -2.01 -0.36 0.00 -1.81 0.00 0.00 61.98 58.07 3dxj s VAL 591 Cb -0.16 -2.25 -0.19 0.00 0.56 0.00 0.00 36.38 34.34 3dxj s VAL 591 CO 0.15 -0.38 2.19 0.35 -0.31 0.00 0.00 175.10 177.10 3dxj n THR 592 N -0.33 0.00 -0.23 5.32 -2.24 -1.15 -4.61 114.28 111.04 3dxj n THR 592 Ca -0.05 0.00 0.23 0.00 -2.27 0.00 0.00 64.05 61.96 3dxj n THR 592 Cb 0.64 -0.47 0.43 0.00 -2.10 0.00 0.00 70.33 68.83 3dxj n THR 592 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3dxj n ASN 593 N 8.05 0.26 -4.74 3.42 2.85 -1.26 -4.29 115.26 119.55 3dxj n ASN 593 Ca 0.55 1.21 -0.23 0.00 -0.11 0.00 0.00 54.58 56.00 3dxj n ASN 593 Cb -0.01 -0.59 -0.06 0.00 1.24 0.00 0.00 39.78 40.36 3dxj n ASN 593 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 3dxj s PRO 594 N -5.11 2.42 3.35 1.20 0.04 -1.26 -5.05 135.00 130.59 3dxj s PRO 594 Ca -0.07 -1.48 0.00 0.00 0.04 0.00 0.00 61.00 59.49 3dxj s PRO 594 Cb 0.25 -2.22 0.00 0.00 0.04 0.00 0.00 34.50 32.57 3dxj s PRO 594 CO 0.57 0.15 0.00 0.41 0.04 0.00 0.00 177.00 178.17 3dxj n GLY 595 N -1.14 0.99 2.36 0.56 0.00 -1.26 -4.72 105.19 101.98 3dxj n GLY 595 Ca -0.04 -0.66 -0.44 0.00 0.00 0.00 0.00 46.02 44.89 3dxj n GLY 595 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3dxj n SER 596 N -3.11 0.55 -1.62 1.61 3.41 -1.26 -4.68 113.62 108.51 3dxj n SER 596 Ca 0.00 0.50 0.00 0.00 -0.26 0.00 0.00 58.87 59.11 3dxj n SER 596 Cb 0.00 -0.65 0.00 0.00 -0.26 0.00 0.00 64.21 63.30 3dxj n SER 596 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3dxj n ASP 597 N 5.44 2.46 -4.80 4.04 5.75 -1.26 -4.23 116.55 123.96 3dxj n ASP 597 Ca 0.40 -1.58 -0.37 0.00 -0.01 0.00 0.00 54.79 53.23 3dxj n ASP 597 Cb -0.03 -0.51 -0.06 0.00 -1.03 0.00 0.00 41.12 39.49 3dxj n ASP 597 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3dxj s ARG 598 N 0.92 4.44 0.74 0.11 1.70 -1.26 -4.84 118.95 120.75 3dxj s ARG 598 Ca 0.00 1.12 -0.12 0.00 -0.47 0.00 0.00 55.73 56.25 3dxj s ARG 598 Cb 0.00 -2.85 0.04 0.00 -0.57 0.00 0.00 34.95 31.57 3dxj s ARG 598 CO 0.00 0.34 1.11 -1.25 -1.08 0.00 0.00 175.30 174.42 3dxj s PRO 599 N -2.00 2.36 -0.11 3.89 0.04 -1.26 -2.91 135.00 135.01 3dxj s PRO 599 Ca 0.47 1.33 -0.20 0.00 0.04 0.00 0.00 61.00 62.63 3dxj s PRO 599 Cb -0.18 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 3dxj s PRO 599 CO 0.23 -1.59 0.56 -0.51 0.04 0.00 0.00 177.00 175.72 3dxj s LEU 600 N -5.52 4.28 -0.41 -3.56 1.43 -1.19 -4.83 118.68 108.88 3dxj s LEU 600 Ca 0.65 0.93 -0.29 0.00 -1.03 0.00 0.00 54.13 54.38 3dxj s LEU 600 Cb -0.20 -2.83 -0.09 0.00 0.03 0.00 0.00 46.19 43.11 3dxj s LEU 600 CO 0.50 -0.06 2.33 0.54 0.23 0.00 0.00 176.35 179.89 3dxj n ARG 601 N 3.82 1.27 -2.23 1.70 5.12 -1.26 -4.82 116.66 120.26 3dxj n ARG 601 Ca -0.05 0.24 -0.26 0.00 -1.93 0.00 0.00 57.85 55.85 3dxj n ARG 601 Cb 0.51 -3.00 0.11 0.00 -1.16 0.00 0.00 32.46 28.92 3dxj n ARG 601 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3dxj s SER 602 N 9.57 4.27 0.00 0.55 1.04 -1.26 -4.40 113.70 123.47 3dxj s SER 602 Ca 1.05 0.20 0.00 0.00 0.48 0.00 0.00 55.95 57.67 3dxj s SER 602 Cb -0.47 -0.63 0.00 0.00 0.10 0.00 0.00 66.02 65.02 3dxj s SER 602 CO 0.36 -1.95 0.76 0.18 0.98 0.00 0.00 173.24 173.57 3dxj n LEU 603 N -3.11 0.00 -0.30 2.42 4.77 -1.10 0.45 117.00 120.13 3dxj n LEU 603 Ca 0.12 0.76 -0.08 0.00 -0.03 0.00 0.00 56.01 56.77 3dxj n LEU 603 Cb 0.60 -0.26 -0.05 0.00 -2.33 0.00 0.00 43.42 41.39 3dxj n LEU 603 CO 0.48 -0.26 0.54 0.74 -1.33 0.00 0.00 177.39 177.56 3dxj h THR 604 N 0.00 0.03 -0.45 -5.08 2.02 -1.57 0.88 112.91 108.75 3dxj h THR 604 Ca 0.00 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.23 3dxj h THR 604 Cb 0.00 0.03 -0.07 0.00 -1.74 0.00 0.00 68.15 66.37 3dxj h THR 604 CO 0.00 0.00 -0.47 0.44 0.37 0.00 0.00 175.52 175.86 3dxj h ASP 605 N -0.13 -1.60 -0.51 4.18 5.19 -1.72 -0.09 116.42 121.75 3dxj h ASP 605 Ca 0.20 0.22 0.09 0.00 -0.62 0.00 0.00 57.03 56.92 3dxj h ASP 605 Cb 0.53 0.67 -0.08 0.00 0.18 0.00 0.00 39.33 40.63 3dxj h ASP 605 CO -0.82 -0.30 0.06 0.40 -3.12 0.00 0.00 179.24 175.46 3dxj h ILE 606 N -0.26 0.67 0.00 0.35 2.04 0.18 0.17 117.51 120.66 3dxj h ILE 606 Ca 0.08 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.87 3dxj h ILE 606 Cb 0.46 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 37.00 3dxj h ILE 606 CO -0.55 0.03 0.00 -0.11 0.00 0.00 0.00 178.15 177.52 3dxj n LEU 607 N -5.16 0.00 0.00 1.44 7.94 0.29 -3.55 117.00 117.95 3dxj n LEU 607 Ca 0.06 0.00 0.12 0.00 -1.11 0.00 0.00 56.01 55.08 3dxj n LEU 607 Cb 0.26 0.00 0.72 0.00 0.53 0.00 0.00 43.42 44.93 3dxj n LEU 607 CO 0.18 0.00 0.91 -1.54 -1.11 0.00 0.00 177.39 175.83 3dxj n SER 608 N 0.00 0.00 -3.59 1.96 3.41 -0.88 -4.82 113.62 109.69 3dxj n SER 608 Ca 0.00 -0.82 -0.26 0.00 -0.26 0.00 0.00 58.87 57.53 3dxj n SER 608 Cb 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 3dxj n SER 608 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dxj n GLY 609 N 0.57 -0.47 0.37 5.00 0.00 0.60 -4.66 105.19 106.60 3dxj n GLY 609 Ca 0.18 0.09 0.16 0.00 0.00 0.00 0.00 46.02 46.45 3dxj n GLY 609 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3dxj h LYS 610 N -0.95 0.00 -3.56 1.61 1.63 -1.77 -3.24 116.57 110.29 3dxj h LYS 610 Ca -0.44 0.00 -0.37 0.00 -0.85 0.00 0.00 60.65 59.00 3dxj h LYS 610 Cb 1.29 0.00 0.02 0.00 -0.60 0.00 0.00 32.23 32.94 3dxj h LYS 610 CO 0.57 0.00 2.46 0.00 -3.45 0.00 0.00 179.45 179.04 3dxj n GLN 611 N -3.14 1.88 0.00 1.90 10.64 -1.26 0.01 117.38 127.40 3dxj n GLN 611 Ca 0.04 -1.41 0.00 0.00 -1.83 0.00 0.00 57.00 53.80 3dxj n GLN 611 Cb 0.65 -2.45 0.00 0.00 -0.86 0.00 0.00 30.24 27.59 3dxj n GLN 611 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3dxj n GLY 612 N 3.84 0.01 2.19 2.61 0.00 -1.22 -4.97 105.19 107.64 3dxj n GLY 612 Ca 0.41 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.42 3dxj n GLY 612 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3dxj n ARG 613 N 0.00 -0.39 -4.25 1.61 0.63 0.10 -3.60 116.66 110.75 3dxj n ARG 613 Ca 0.00 0.32 -0.35 0.00 -0.92 0.00 0.00 57.85 56.89 3dxj n ARG 613 Cb 0.00 -3.78 -0.04 0.00 0.45 0.00 0.00 32.46 29.09 3dxj n ARG 613 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 3dxj n PHE 614 N -2.81 -1.57 0.00 -0.14 -0.00 -1.26 -4.42 117.46 107.26 3dxj n PHE 614 Ca -0.02 0.75 0.00 0.00 -0.00 0.00 0.00 57.45 58.18 3dxj n PHE 614 Cb 0.13 -2.87 0.00 0.00 -0.00 0.00 0.00 39.48 36.74 3dxj n PHE 614 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 176.76 179.65 3dxj n ARG 615 N -4.35 3.17 -0.04 -4.13 1.85 -1.24 -4.21 116.66 107.72 3dxj n ARG 615 Ca -0.02 0.00 0.02 0.00 -1.00 0.00 0.00 57.85 56.85 3dxj n ARG 615 Cb 0.54 -0.94 0.05 0.00 -1.05 0.00 0.00 32.46 31.05 3dxj n ARG 615 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3dxj n GLN 616 N -1.76 1.42 -0.92 2.89 10.64 -1.25 -5.07 117.38 123.34 3dxj n GLN 616 Ca 0.00 -1.30 -0.29 0.00 -1.83 0.00 0.00 57.00 53.58 3dxj n GLN 616 Cb 0.39 -1.11 0.00 0.00 -0.86 0.00 0.00 30.24 28.66 3dxj n GLN 616 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 3dxj n ASN 617 N 0.10 -2.31 -3.18 2.61 2.85 -1.26 -4.66 115.26 109.41 3dxj n ASN 617 Ca 0.04 0.54 -0.26 0.00 -0.11 0.00 0.00 54.58 54.79 3dxj n ASN 617 Cb 0.23 -0.62 -0.02 0.00 1.24 0.00 0.00 39.78 40.60 3dxj n ASN 617 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 3dxj n LEU 618 N 1.73 5.94 -4.63 1.20 4.77 -1.26 -4.90 117.00 119.86 3dxj n LEU 618 Ca 0.07 -3.28 -0.43 0.00 -0.03 0.00 0.00 56.01 52.35 3dxj n LEU 618 Cb 0.31 -1.22 -0.03 0.00 -2.33 0.00 0.00 43.42 40.15 3dxj n LEU 618 CO 0.39 1.03 0.81 -0.76 -1.33 0.00 0.00 177.39 177.53 3dxj s LEU 619 N 0.11 4.00 0.00 2.23 1.43 -1.26 -4.94 118.68 120.25 3dxj s LEU 619 Ca 0.48 0.88 0.00 0.00 -1.03 0.00 0.00 54.13 54.46 3dxj s LEU 619 Cb 0.13 -3.36 0.00 0.00 0.03 0.00 0.00 46.19 42.99 3dxj s LEU 619 CO -0.04 -0.78 0.00 0.61 0.23 0.00 0.00 176.35 176.37 3dxj n GLY 620 N 4.02 3.49 3.33 -3.19 0.00 -1.26 -5.18 105.19 106.40 3dxj n GLY 620 Ca 0.09 -0.88 -0.17 0.00 0.00 0.00 0.00 46.02 45.06 3dxj n GLY 620 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dxj s LYS 621 N -2.21 1.35 -0.14 1.61 1.02 -1.26 -5.14 119.74 114.96 3dxj s LYS 621 Ca 0.00 -1.70 -0.04 0.00 0.02 0.00 0.00 55.97 54.25 3dxj s LYS 621 Cb 0.00 -0.54 -0.03 0.00 -0.52 0.00 0.00 37.83 36.74 3dxj s LYS 621 CO 0.00 -0.14 -0.00 1.03 -0.92 0.00 0.00 175.35 175.32 3dxj s ARG 622 N -3.90 3.55 0.34 1.68 0.52 -1.26 -5.10 118.95 114.77 3dxj s ARG 622 Ca 0.30 -0.44 -0.05 0.00 -0.52 0.00 0.00 55.73 55.02 3dxj s ARG 622 Cb 0.06 -2.95 -0.05 0.00 0.52 0.00 0.00 34.95 32.53 3dxj s ARG 622 CO 0.10 0.39 0.61 0.08 0.02 0.00 0.00 175.30 176.50 3dxj s VAL 623 N -0.01 4.98 -0.15 3.52 1.01 -1.26 -5.05 120.40 123.44 3dxj s VAL 623 Ca 0.03 0.11 -0.26 0.00 0.00 0.00 0.00 61.98 61.85 3dxj s VAL 623 Cb -0.13 -3.76 -0.24 0.00 0.00 0.00 0.00 36.38 32.25 3dxj s VAL 623 CO 0.02 -0.44 0.61 0.44 0.00 0.00 0.00 175.10 175.73 3dxj h ASP 624 N 1.35 0.04 -2.10 3.32 3.32 -2.01 -3.37 116.42 116.97 3dxj h ASP 624 Ca -0.48 -0.86 -0.80 0.00 0.02 0.00 0.00 57.03 54.92 3dxj h ASP 624 Cb 1.19 -0.01 -0.25 0.00 0.22 0.00 0.00 39.33 40.48 3dxj h ASP 624 CO 0.65 1.18 1.24 -1.22 -1.72 0.00 0.00 179.24 179.36 3dxj n TYR 625 N -4.51 2.74 -4.07 4.55 4.02 -1.26 -4.94 117.16 113.70 3dxj n TYR 625 Ca -0.17 -2.60 -0.25 0.00 -0.01 0.00 0.00 57.90 54.88 3dxj n TYR 625 Cb 0.57 -1.29 -0.06 0.00 -0.02 0.00 0.00 39.34 38.54 3dxj n TYR 625 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 3dxj s SER 626 N -1.10 4.50 -0.09 7.72 1.04 -1.26 -2.62 113.70 121.90 3dxj s SER 626 Ca 0.41 -1.08 -0.32 0.00 0.48 0.00 0.00 55.95 55.45 3dxj s SER 626 Cb 0.19 -0.38 0.12 0.00 0.10 0.00 0.00 66.02 66.05 3dxj s SER 626 CO -0.12 -0.61 1.14 -0.83 0.98 0.00 0.00 173.24 173.79 3dxj s GLY 627 N -3.96 -0.35 -0.01 7.32 0.00 -0.87 -4.92 107.32 104.53 3dxj s GLY 627 Ca 0.40 1.17 -0.13 0.00 0.00 0.00 0.00 44.72 46.16 3dxj s GLY 627 CO 0.22 0.36 0.26 -1.60 0.00 0.00 0.00 173.10 172.34 3dxj s ARG 628 N -2.64 0.62 0.14 2.90 3.52 -1.26 0.43 118.95 122.66 3dxj s ARG 628 Ca 0.10 -0.27 -0.25 0.00 -0.13 0.00 0.00 55.73 55.18 3dxj s ARG 628 Cb 0.00 0.27 0.07 0.00 -1.56 0.00 0.00 34.95 33.73 3dxj s ARG 628 CO -0.05 -0.17 1.01 0.45 -0.81 0.00 0.00 175.30 175.74 3dxj s SER 629 N -1.38 -0.13 0.45 -2.12 0.15 -0.87 -4.99 113.70 104.82 3dxj s SER 629 Ca -0.14 -0.43 -0.16 0.00 0.70 0.00 0.00 55.95 55.92 3dxj s SER 629 Cb -0.06 0.46 -0.08 0.00 -1.71 0.00 0.00 66.02 64.62 3dxj s SER 629 CO 0.03 -0.86 0.90 -0.69 1.20 0.00 0.00 173.24 173.82 3dxj s VAL 630 N -2.97 4.57 0.14 4.45 1.01 -1.26 0.10 120.40 126.44 3dxj s VAL 630 Ca 0.14 1.12 0.03 0.00 0.00 0.00 0.00 61.98 63.27 3dxj s VAL 630 Cb -0.01 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 3dxj s VAL 630 CO 0.02 -0.50 0.23 0.27 0.00 0.00 0.00 175.10 175.12 3dxj s ILE 631 N -2.38 5.09 0.10 2.22 -4.36 -0.76 -0.68 121.20 120.43 3dxj s ILE 631 Ca 0.57 -0.76 -0.01 0.00 -0.26 0.00 0.00 60.65 60.20 3dxj s ILE 631 Cb -0.10 -3.59 -0.04 0.00 1.25 0.00 0.00 42.46 39.98 3dxj s ILE 631 CO 0.25 -0.06 0.02 -0.69 0.24 0.00 0.00 174.94 174.69 3dxj s VAL 632 N -1.71 0.20 -0.07 8.37 1.01 0.60 -4.85 120.40 123.95 3dxj s VAL 632 Ca 0.33 -1.88 -0.17 0.00 0.00 0.00 0.00 61.98 60.27 3dxj s VAL 632 Cb -0.11 -1.84 -0.05 0.00 0.00 0.00 0.00 36.38 34.38 3dxj s VAL 632 CO 0.27 -0.68 0.45 0.54 0.00 0.00 0.00 175.10 175.68 3dxj s VAL 633 N -3.96 5.11 -0.91 2.92 0.11 -1.26 0.28 120.40 122.69 3dxj s VAL 633 Ca 0.17 0.91 -0.02 0.00 -2.93 0.00 0.00 61.98 60.12 3dxj s VAL 633 Cb 0.08 -3.78 0.22 0.00 -1.53 0.00 0.00 36.38 31.37 3dxj s VAL 633 CO -0.03 0.42 0.81 0.61 -3.33 0.00 0.00 175.10 173.59 3dxj n GLY 634 N 2.72 4.13 0.36 6.54 0.00 0.81 -4.76 105.19 114.98 3dxj n GLY 634 Ca -0.10 -2.60 0.18 0.00 0.00 0.00 0.00 46.02 43.50 3dxj n GLY 634 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3dxj h PRO 635 N 5.99 0.00 0.05 1.61 0.11 -1.97 0.13 132.00 137.93 3dxj h PRO 635 Ca 0.16 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 66.07 3dxj h PRO 635 Cb 0.81 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.94 3dxj h PRO 635 CO 0.87 0.00 -0.85 1.96 -0.21 0.00 0.00 178.00 179.77 3dxj h GLN 636 N 0.00 0.48 -6.23 1.05 1.08 -1.98 -3.46 115.11 106.04 3dxj h GLN 636 Ca 0.08 -0.59 -0.57 0.00 -1.45 0.00 0.00 58.65 56.12 3dxj h GLN 636 Cb 0.80 0.19 0.20 0.00 -0.05 0.00 0.00 27.48 28.61 3dxj h GLN 636 CO -0.00 1.23 -1.07 1.28 -0.95 0.00 0.00 178.83 179.31 3dxj n LEU 637 N -4.05 -2.71 -4.55 1.46 4.77 0.45 -4.98 117.00 107.39 3dxj n LEU 637 Ca -0.12 0.51 -0.33 0.00 -0.03 0.00 0.00 56.01 56.04 3dxj n LEU 637 Cb 0.80 -0.96 -0.11 0.00 -2.33 0.00 0.00 43.42 40.82 3dxj n LEU 637 CO 0.51 -4.53 -0.41 -0.54 -1.33 0.00 0.00 177.39 171.09 3dxj s LYS 638 N -1.90 2.56 0.01 3.23 1.02 -1.26 -4.98 119.74 118.42 3dxj s LYS 638 Ca 0.55 -0.69 -0.01 0.00 0.02 0.00 0.00 55.97 55.85 3dxj s LYS 638 Cb -0.36 -2.47 0.01 0.00 -0.52 0.00 0.00 37.83 34.49 3dxj s LYS 638 CO 0.68 0.62 0.07 -0.11 -0.92 0.00 0.00 175.35 175.69 3dxj n LEU 639 N 1.93 -0.03 -0.21 3.17 7.94 -1.26 0.22 117.00 128.77 3dxj n LEU 639 Ca -0.17 0.08 0.06 0.00 -1.11 0.00 0.00 56.01 54.87 3dxj n LEU 639 Cb 0.53 -0.02 0.28 0.00 0.53 0.00 0.00 43.42 44.74 3dxj n LEU 639 CO 0.28 -0.07 0.69 0.00 -1.11 0.00 0.00 177.39 177.18 3dxj n HIS 640 N -4.07 0.12 -3.91 1.96 1.44 -1.26 -4.51 115.22 105.00 3dxj n HIS 640 Ca 0.00 -0.06 -0.24 0.00 -2.01 0.00 0.00 57.72 55.42 3dxj n HIS 640 Cb 0.02 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.09 3dxj n HIS 640 CO 0.00 0.00 0.00 -0.65 -2.81 0.00 0.00 176.34 172.88 3dxj s GLN 641 N -1.88 2.33 -0.29 -1.40 -0.21 0.60 -1.05 119.66 117.76 3dxj s GLN 641 Ca 0.19 -1.81 -0.19 0.00 0.02 0.00 0.00 55.36 53.57 3dxj s GLN 641 Cb 0.10 -2.12 0.13 0.00 1.00 0.00 0.00 33.01 32.11 3dxj s GLN 641 CO 0.15 -0.28 0.96 0.00 -2.12 0.00 0.00 175.29 173.99 3dxj s GLY 643 N 1.00 2.92 -0.10 0.00 0.00 0.29 -1.54 107.32 109.89 3dxj s GLY 643 Ca -0.05 1.09 -0.04 0.00 0.00 0.00 0.00 44.72 45.73 3dxj s GLY 643 CO -0.12 1.66 0.17 -2.27 0.00 0.00 0.00 173.10 172.53 3dxj s LEU 644 N -2.29 -0.07 -0.23 0.66 2.96 -0.19 -2.46 118.68 117.06 3dxj s LEU 644 Ca 0.55 0.24 -0.38 0.00 -0.22 0.00 0.00 54.13 54.32 3dxj s LEU 644 Cb -0.35 0.28 -0.14 0.00 0.50 0.00 0.00 46.19 46.49 3dxj s LEU 644 CO 0.44 -0.26 1.83 -2.65 -1.32 0.00 0.00 176.35 174.39 3dxj n PRO 645 N 5.32 1.46 -0.11 0.98 -0.02 -1.26 -0.46 135.00 140.93 3dxj n PRO 645 Ca -0.05 0.53 -0.10 0.00 -2.02 0.00 0.00 63.50 61.86 3dxj n PRO 645 Cb 0.50 -2.30 -0.07 0.00 -0.02 0.00 0.00 33.50 31.61 3dxj n PRO 645 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3dxj h LYS 646 N 8.28 -0.27 -0.73 -0.52 1.57 -1.56 0.21 116.57 123.56 3dxj h LYS 646 Ca -0.45 0.02 0.07 0.00 -1.87 0.00 0.00 60.65 58.42 3dxj h LYS 646 Cb 1.30 0.06 -0.09 0.00 0.08 0.00 0.00 32.23 33.58 3dxj h LYS 646 CO 0.96 -0.18 -0.41 -2.13 -0.57 0.00 0.00 179.45 177.12 3dxj n ARG 647 N -4.64 -0.30 0.17 3.15 3.00 -1.26 0.51 116.66 117.29 3dxj n ARG 647 Ca -0.02 1.10 -0.14 0.00 -0.00 0.00 0.00 57.85 58.78 3dxj n ARG 647 Cb 0.25 -1.62 -0.07 0.00 0.00 0.00 0.00 32.46 31.01 3dxj n ARG 647 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.63 179.61 3dxj h MET 648 N 0.00 -0.38 -0.64 -0.14 4.05 -1.65 -2.81 114.93 113.36 3dxj h MET 648 Ca 0.13 0.03 0.09 0.00 -0.28 0.00 0.00 59.70 59.66 3dxj h MET 648 Cb 0.31 0.09 -0.11 0.00 -0.80 0.00 0.00 31.60 31.09 3dxj h MET 648 CO -0.69 -0.25 -0.48 0.00 0.23 0.00 0.00 176.91 175.72 3dxj h ALA 649 N 0.33 -0.41 -0.20 0.39 0.00 0.29 -2.39 119.26 117.27 3dxj h ALA 649 Ca -0.03 0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.00 3dxj h ALA 649 Cb 0.32 1.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 3dxj h ALA 649 CO 0.04 -0.88 -0.12 -0.11 0.00 0.00 0.00 179.25 178.18 3dxj n LEU 650 N -5.38 -0.21 -0.04 0.00 7.94 0.18 -0.91 117.00 118.58 3dxj n LEU 650 Ca 0.01 0.71 -0.09 0.00 -1.11 0.00 0.00 56.01 55.54 3dxj n LEU 650 Cb 0.34 -0.22 -0.02 0.00 0.53 0.00 0.00 43.42 44.04 3dxj n LEU 650 CO -0.04 -0.47 0.68 -0.08 -1.11 0.00 0.00 177.39 176.37 3dxj h GLU 651 N 0.00 -0.28 -1.10 1.96 4.57 -1.40 0.86 114.58 119.19 3dxj h GLU 651 Ca 0.03 0.02 0.31 0.00 -1.18 0.00 0.00 59.36 58.54 3dxj h GLU 651 Cb 0.08 0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 28.68 3dxj h GLU 651 CO -0.19 -0.19 0.78 -0.07 -1.18 0.00 0.00 179.01 178.16 3dxj h LEU 652 N -0.29 0.07 -1.08 1.64 3.38 -0.91 -1.14 115.31 116.98 3dxj h LEU 652 Ca 0.13 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3dxj h LEU 652 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3dxj h LEU 652 CO -0.39 0.01 -0.10 0.49 0.09 0.00 0.00 178.44 178.54 3dxj n PHE 653 N -4.27 0.00 0.00 1.13 3.01 -0.81 -4.84 117.46 111.68 3dxj n PHE 653 Ca 0.24 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.70 3dxj n PHE 653 Cb 1.12 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.59 3dxj n PHE 653 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 3dxj n LYS 654 N 0.18 0.00 0.00 -1.08 4.81 0.23 -0.84 118.16 121.45 3dxj n LYS 654 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.49 3dxj n LYS 654 Cb 0.24 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.29 3dxj n LYS 654 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 3dxj n PRO 655 N -2.18 0.00 -0.34 1.64 -0.02 -1.26 0.20 135.00 133.04 3dxj n PRO 655 Ca 0.00 0.64 -0.09 0.00 -2.02 0.00 0.00 63.50 62.03 3dxj n PRO 655 Cb 0.00 -1.32 -0.08 0.00 -0.02 0.00 0.00 33.50 32.08 3dxj n PRO 655 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3dxj n PHE 656 N -1.98 -0.35 -0.13 6.00 3.01 -0.14 0.56 117.46 124.42 3dxj n PHE 656 Ca 0.00 1.02 -0.08 0.00 1.01 0.00 0.00 57.45 59.40 3dxj n PHE 656 Cb 0.00 -0.57 -0.06 0.00 -0.01 0.00 0.00 39.48 38.84 3dxj n PHE 656 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 3dxj h LEU 657 N 0.00 -1.15 -0.39 4.37 5.85 -0.08 -0.74 115.31 123.16 3dxj h LEU 657 Ca 0.13 0.16 0.04 0.00 0.84 0.00 0.00 57.88 59.05 3dxj h LEU 657 Cb 0.34 0.48 -0.05 0.00 0.37 0.00 0.00 40.66 41.81 3dxj h LEU 657 CO -0.77 -0.21 -0.23 0.18 -0.34 0.00 0.00 178.44 177.07 3dxj n LEU 658 N -4.29 -0.41 -0.18 2.25 4.77 0.55 -0.08 117.00 119.60 3dxj n LEU 658 Ca -0.01 1.05 -0.05 0.00 -0.03 0.00 0.00 56.01 56.97 3dxj n LEU 658 Cb 0.19 -0.27 -0.04 0.00 -2.33 0.00 0.00 43.42 40.97 3dxj n LEU 658 CO -0.02 -0.74 0.48 1.17 -1.33 0.00 0.00 177.39 176.94 3dxj n LYS 659 N -3.89 -0.19 -0.32 3.23 3.00 -0.01 -0.10 118.16 119.88 3dxj n LYS 659 Ca 0.01 1.19 -0.02 0.00 -0.00 0.00 0.00 58.31 59.49 3dxj n LYS 659 Cb 0.10 -1.77 0.04 0.00 0.00 0.00 0.00 35.03 33.40 3dxj n LYS 659 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 3dxj h LYS 660 N 0.00 -0.05 0.00 1.64 1.79 0.55 0.49 116.57 120.99 3dxj h LYS 660 Ca 0.07 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.54 3dxj h LYS 660 Cb 0.17 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.84 3dxj h LYS 660 CO -0.40 -0.03 0.00 -1.33 -1.08 0.00 0.00 179.45 176.61 3dxj n MET 661 N -5.47 0.00 -0.35 3.15 2.81 0.85 -0.02 117.12 118.09 3dxj n MET 661 Ca 0.09 0.92 -0.02 0.00 -1.81 0.00 0.00 57.70 56.88 3dxj n MET 661 Cb 0.39 -1.49 0.04 0.00 -0.71 0.00 0.00 33.22 31.45 3dxj n MET 661 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 3dxj h GLU 662 N 0.00 -0.03 0.00 0.03 4.81 0.23 2.14 114.58 121.76 3dxj h GLU 662 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3dxj h GLU 662 Cb 0.00 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.39 3dxj h GLU 662 CO 0.00 -0.02 0.21 0.39 -0.73 0.00 0.00 179.01 178.86 3dxj n GLU 663 N -5.47 0.00 -4.54 1.92 1.02 0.15 -4.16 120.64 109.56 3dxj n GLU 663 Ca 0.09 0.26 -0.24 0.00 -0.02 0.00 0.00 57.16 57.26 3dxj n GLU 663 Cb 0.40 -1.71 -0.16 0.00 -0.02 0.00 0.00 31.44 29.95 3dxj n GLU 663 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3dxj s LYS 664 N -2.49 1.49 0.05 3.49 1.02 0.72 -5.03 119.74 119.00 3dxj s LYS 664 Ca 0.00 -0.39 -0.07 0.00 0.02 0.00 0.00 55.97 55.53 3dxj s LYS 664 Cb 0.00 -1.28 0.02 0.00 -0.52 0.00 0.00 37.83 36.06 3dxj s LYS 664 CO 0.00 0.06 0.42 0.41 -0.92 0.00 0.00 175.35 175.32 3dxj n GLY 665 N 3.65 -0.63 0.21 -3.33 0.00 -1.26 0.27 105.19 104.10 3dxj n GLY 665 Ca -0.22 0.31 0.18 0.00 0.00 0.00 0.00 46.02 46.29 3dxj n GLY 665 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3dxj n ILE 666 N -4.37 -0.07 -3.99 -0.61 -5.35 -1.26 -3.41 119.36 100.30 3dxj n ILE 666 Ca 0.02 0.69 -0.31 0.00 -0.27 0.00 0.00 62.75 62.88 3dxj n ILE 666 Cb 0.09 -1.13 -0.16 0.00 -1.74 0.00 0.00 39.64 36.70 3dxj n ILE 666 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3dxj s ALA 667 N -4.13 2.14 0.00 -1.28 0.00 0.14 -4.99 121.76 113.65 3dxj s ALA 667 Ca -0.03 -1.42 0.00 0.00 0.00 0.00 0.00 51.96 50.52 3dxj s ALA 667 Cb 0.12 -1.42 0.00 0.00 0.00 0.00 0.00 23.12 21.82 3dxj s ALA 667 CO 0.34 -1.07 0.94 -2.30 0.00 0.00 0.00 175.76 173.67 3dxj n PRO 668 N 4.61 0.00 -1.63 0.00 -0.02 -1.22 -3.70 135.00 133.05 3dxj n PRO 668 Ca -0.13 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 3dxj n PRO 668 Cb 0.44 -1.45 0.00 0.00 -0.02 0.00 0.00 33.50 32.47 3dxj n PRO 668 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3dxj n ASN 669 N -1.87 1.76 0.00 2.55 6.94 -1.26 -4.78 115.26 118.60 3dxj n ASN 669 Ca 0.00 -0.81 0.00 0.00 -0.02 0.00 0.00 54.58 53.75 3dxj n ASN 669 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 3dxj n ASN 669 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 3dxj n VAL 670 N 0.00 0.00 -0.63 3.53 0.31 -1.26 -3.17 118.33 117.11 3dxj n VAL 670 Ca 0.00 0.74 0.49 0.00 -0.01 0.00 0.00 64.34 65.56 3dxj n VAL 670 Cb 0.00 -1.60 0.78 0.00 -0.91 0.00 0.00 33.84 32.11 3dxj n VAL 670 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 3dxj h LYS 671 N 0.00 0.00 0.00 5.55 1.63 -1.99 0.34 116.57 122.10 3dxj h LYS 671 Ca 0.00 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 3dxj h LYS 671 Cb 0.00 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 3dxj h LYS 671 CO 0.00 0.00 0.00 0.00 -3.45 0.00 0.00 179.45 176.00 3dxj n ALA 672 N -2.78 -0.24 -0.25 5.00 0.00 -1.24 -0.45 120.51 120.55 3dxj n ALA 672 Ca 0.43 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.85 3dxj n ALA 672 Cb 1.87 0.08 0.04 0.00 0.00 0.00 0.00 19.45 21.44 3dxj n ALA 672 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dxj h ALA 673 N -1.88 0.16 -0.10 0.00 0.00 -0.57 1.37 119.26 118.24 3dxj h ALA 673 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3dxj h ALA 673 Cb 0.00 0.74 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3dxj h ALA 673 CO 0.00 -0.58 0.00 0.54 0.00 0.00 0.00 179.25 179.21 3dxj n ARG 674 N -5.46 0.00 -0.10 0.00 5.12 0.86 -0.11 116.66 116.97 3dxj n ARG 674 Ca 0.07 0.84 -0.08 0.00 -1.93 0.00 0.00 57.85 56.75 3dxj n ARG 674 Cb 0.37 -1.27 -0.01 0.00 -1.16 0.00 0.00 32.46 30.39 3dxj n ARG 674 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3dxj h ARG 675 N 0.00 0.44 0.00 5.56 3.08 0.23 -1.84 114.38 121.85 3dxj h ARG 675 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3dxj h ARG 675 Cb 0.00 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 29.95 3dxj h ARG 675 CO 0.00 0.29 0.91 1.98 -1.07 0.00 0.00 179.97 182.08 3dxj h MET 676 N 0.45 0.00 0.00 0.04 1.85 0.53 0.59 114.93 118.40 3dxj h MET 676 Ca 0.13 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.22 3dxj h MET 676 Cb -0.04 0.00 0.00 0.00 0.43 0.00 0.00 31.60 31.99 3dxj h MET 676 CO -0.04 0.00 -1.11 1.28 -0.40 0.00 0.00 176.91 176.64 3dxj n LEU 677 N -2.48 0.02 -0.53 3.39 4.77 0.35 -4.38 117.00 118.14 3dxj n LEU 677 Ca -0.00 -0.04 0.42 0.00 -0.03 0.00 0.00 56.01 56.35 3dxj n LEU 677 Cb 0.92 0.00 0.66 0.00 -2.33 0.00 0.00 43.42 42.67 3dxj n LEU 677 CO 0.01 0.00 1.19 -1.84 -1.33 0.00 0.00 177.39 175.43 3dxj n GLU 678 N -1.60 -0.01 -4.64 3.23 0.28 0.21 -4.09 120.64 114.02 3dxj n GLU 678 Ca -0.01 1.00 -0.30 0.00 -0.16 0.00 0.00 57.16 57.69 3dxj n GLU 678 Cb 0.11 -2.16 -0.17 0.00 1.43 0.00 0.00 31.44 30.66 3dxj n GLU 678 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 3dxj s ARG 679 N -4.78 2.62 0.33 3.44 0.52 -1.26 -5.02 118.95 114.80 3dxj s ARG 679 Ca -0.05 -0.71 0.06 0.00 -0.52 0.00 0.00 55.73 54.51 3dxj s ARG 679 Cb 0.25 -2.14 0.72 0.00 0.52 0.00 0.00 34.95 34.30 3dxj s ARG 679 CO 0.75 -0.01 1.86 1.96 0.02 0.00 0.00 175.30 179.87 3dxj h GLN 680 N 7.28 0.78 -0.86 3.54 4.20 -1.95 -0.32 115.11 127.78 3dxj h GLN 680 Ca -0.30 -0.05 0.07 0.00 0.06 0.00 0.00 58.65 58.43 3dxj h GLN 680 Cb 1.19 -0.18 -0.07 0.00 0.30 0.00 0.00 27.48 28.73 3dxj h GLN 680 CO 0.51 0.51 0.52 0.07 -0.67 0.00 0.00 178.83 179.78 3dxj h ARG 681 N 0.80 0.90 -0.55 1.46 0.11 -1.95 -0.46 114.38 114.69 3dxj h ARG 681 Ca 0.46 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 60.49 3dxj h ARG 681 Cb 0.63 -0.20 0.00 0.00 1.11 0.00 0.00 29.97 31.51 3dxj h ARG 681 CO -0.23 0.59 0.00 -0.25 0.10 0.00 0.00 179.97 180.19 3dxj n ASP 682 N -4.65 2.45 -4.55 0.08 9.92 -0.17 -4.78 116.55 114.85 3dxj n ASP 682 Ca 0.13 -2.19 -0.42 0.00 -0.53 0.00 0.00 54.79 51.77 3dxj n ASP 682 Cb 0.21 -0.39 -0.03 0.00 -0.64 0.00 0.00 41.12 40.27 3dxj n ASP 682 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3dxj s ILE 683 N -1.66 4.20 0.00 0.53 1.01 -0.18 -4.77 121.20 120.32 3dxj s ILE 683 Ca 0.24 0.59 0.00 0.00 0.00 0.00 0.00 60.65 61.48 3dxj s ILE 683 Cb 0.15 -4.64 0.00 0.00 0.01 0.00 0.00 42.46 37.98 3dxj s ILE 683 CO 0.12 -1.24 0.00 0.29 0.00 0.00 0.00 174.94 174.11 3dxj n LYS 684 N 7.97 0.75 0.00 2.79 5.02 -1.26 -5.04 118.16 128.40 3dxj n LYS 684 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 3dxj n LYS 684 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.49 3dxj n LYS 684 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3dxj n ASP 685 N -0.31 0.00 -0.48 4.39 8.00 -1.26 -4.39 116.55 122.50 3dxj n ASP 685 Ca 0.00 0.08 0.36 0.00 0.71 0.00 0.00 54.79 55.94 3dxj n ASP 685 Cb 0.00 -0.30 0.56 0.00 -0.02 0.00 0.00 41.12 41.35 3dxj n ASP 685 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3dxj n GLU 686 N -1.93 0.00 -0.41 -1.24 4.71 -1.26 -0.07 120.64 120.43 3dxj n GLU 686 Ca 0.00 0.74 -0.11 0.00 -0.01 0.00 0.00 57.16 57.78 3dxj n GLU 686 Cb 0.00 -1.70 -0.10 0.00 -1.01 0.00 0.00 31.44 28.63 3dxj n GLU 686 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 3dxj n VAL 687 N -3.30 -0.67 -0.06 2.62 0.31 -1.26 0.02 118.33 115.99 3dxj n VAL 687 Ca 0.30 2.39 -0.09 0.00 -0.01 0.00 0.00 64.34 66.93 3dxj n VAL 687 Cb 1.38 -2.96 -0.02 0.00 -0.91 0.00 0.00 33.84 31.33 3dxj n VAL 687 CO 0.00 0.00 0.00 -0.50 -1.32 0.00 0.00 176.83 175.01 3dxj h TRP 688 N 0.00 0.26 -1.00 3.52 4.06 -0.75 -0.43 115.95 121.61 3dxj h TRP 688 Ca 0.16 0.01 0.27 0.00 2.06 0.00 0.00 58.89 61.39 3dxj h TRP 688 Cb 0.41 -0.08 -0.06 0.00 -1.00 0.00 0.00 29.16 28.43 3dxj h TRP 688 CO -1.02 0.16 0.69 -0.44 -3.56 0.00 0.00 178.44 174.27 3dxj h ASP 689 N 0.29 0.17 0.01 -3.49 3.32 -0.49 -0.49 116.42 115.75 3dxj h ASP 689 Ca 0.09 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 3dxj h ASP 689 Cb -0.01 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.54 3dxj h ASP 689 CO -0.04 0.05 -0.01 0.00 -1.72 0.00 0.00 179.24 177.52 3dxj h ALA 690 N 1.54 -0.02 -0.58 3.45 0.00 0.38 -3.24 119.26 120.79 3dxj h ALA 690 Ca 0.50 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.50 3dxj h ALA 690 Cb 1.70 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 19.41 3dxj h ALA 690 CO -0.10 -0.02 -0.24 -0.11 0.00 0.00 0.00 179.25 178.78 3dxj n LEU 691 N -4.57 -0.41 0.00 0.00 7.94 -0.25 0.11 117.00 119.81 3dxj n LEU 691 Ca -0.00 1.01 0.00 0.00 -1.11 0.00 0.00 56.01 55.91 3dxj n LEU 691 Cb 0.01 -0.22 0.00 0.00 0.53 0.00 0.00 43.42 43.74 3dxj n LEU 691 CO 0.00 -0.90 0.46 1.21 -1.11 0.00 0.00 177.39 177.05 3dxj n GLU 692 N -4.83 0.00 -0.06 1.96 0.00 -0.29 -1.92 120.64 115.49 3dxj n GLU 692 Ca 0.05 0.69 -0.01 0.00 0.00 0.00 0.00 57.16 57.89 3dxj n GLU 692 Cb 0.22 -1.41 -0.01 0.00 0.00 0.00 0.00 31.44 30.24 3dxj n GLU 692 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 3dxj n GLU 693 N -2.25 -0.06 -0.03 5.31 2.13 0.31 0.19 120.64 126.25 3dxj n GLU 693 Ca 0.00 0.22 -0.08 0.00 0.66 0.00 0.00 57.16 57.96 3dxj n GLU 693 Cb 0.00 -0.33 -0.06 0.00 0.27 0.00 0.00 31.44 31.32 3dxj n GLU 693 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3dxj h VAL 694 N 0.00 0.00 -0.97 6.31 2.07 -0.66 -2.15 116.25 120.85 3dxj h VAL 694 Ca 0.03 0.00 0.33 0.00 0.82 0.00 0.00 66.70 67.89 3dxj h VAL 694 Cb 0.07 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 29.66 3dxj h VAL 694 CO -0.14 0.00 0.26 -0.38 0.02 0.00 0.00 177.57 177.33 3dxj n ILE 695 N -4.19 -0.41 -1.11 4.57 5.41 0.52 -4.72 119.36 119.43 3dxj n ILE 695 Ca -0.03 2.06 -0.44 0.00 1.00 0.00 0.00 62.75 65.34 3dxj n ILE 695 Cb 0.21 -3.17 -0.07 0.00 -0.71 0.00 0.00 39.64 35.90 3dxj n ILE 695 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 176.55 178.12 3dxj n HIS 696 N -5.33 1.12 0.00 1.39 -0.00 -0.81 0.19 115.22 111.77 3dxj n HIS 696 Ca 0.30 0.73 0.00 0.00 0.46 0.00 0.00 57.72 59.21 3dxj n HIS 696 Cb 0.99 -1.46 0.00 0.00 -0.12 0.00 0.00 29.99 29.40 3dxj n HIS 696 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3dxj n GLY 697 N 2.84 2.47 3.55 1.57 0.00 -1.26 -5.02 105.19 109.34 3dxj n GLY 697 Ca 0.22 -0.53 -0.32 0.00 0.00 0.00 0.00 46.02 45.38 3dxj n GLY 697 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dxj n LYS 698 N 0.00 -0.33 -4.23 1.61 5.02 0.13 -4.94 118.16 115.42 3dxj n LYS 698 Ca 0.00 -0.04 -0.15 0.00 -2.02 0.00 0.00 58.31 56.10 3dxj n LYS 698 Cb 0.00 -2.14 -0.09 0.00 -0.02 0.00 0.00 35.03 32.78 3dxj n LYS 698 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3dxj s VAL 699 N -2.48 0.00 0.13 -0.18 -7.23 -1.26 -4.43 120.40 104.95 3dxj s VAL 699 Ca 0.63 -1.99 0.03 0.00 -1.81 0.00 0.00 61.98 58.84 3dxj s VAL 699 Cb -0.23 -2.50 -0.01 0.00 0.56 0.00 0.00 36.38 34.20 3dxj s VAL 699 CO 0.62 0.00 0.12 1.33 -0.31 0.00 0.00 175.10 176.85 3dxj n VAL 700 N -0.42 0.00 -4.96 1.32 0.24 -0.22 -4.34 118.33 109.95 3dxj n VAL 700 Ca 0.04 -0.99 -0.27 0.00 -2.04 0.00 0.00 64.34 61.09 3dxj n VAL 700 Cb 0.64 0.49 -0.16 0.00 -1.47 0.00 0.00 33.84 33.35 3dxj n VAL 700 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3dxj s LEU 701 N 0.00 2.01 -0.09 1.34 1.43 0.11 -2.02 118.68 121.46 3dxj s LEU 701 Ca 0.16 -0.37 0.02 0.00 -1.03 0.00 0.00 54.13 52.91 3dxj s LEU 701 Cb 0.01 -1.04 -0.02 0.00 0.03 0.00 0.00 46.19 45.17 3dxj s LEU 701 CO 0.11 0.22 -0.16 -0.76 0.23 0.00 0.00 176.35 176.00 3dxj s LEU 702 N -0.34 2.61 -0.01 1.79 1.43 0.43 -0.82 118.68 123.77 3dxj s LEU 702 Ca 0.04 -0.32 0.06 0.00 -1.03 0.00 0.00 54.13 52.88 3dxj s LEU 702 Cb -0.09 -1.55 -0.01 0.00 0.03 0.00 0.00 46.19 44.56 3dxj s LEU 702 CO 0.00 0.23 -0.18 0.21 0.23 0.00 0.00 176.35 176.84 3dxj s ASN 703 N -0.06 2.14 -0.27 2.29 3.04 0.10 -2.70 114.94 119.49 3dxj s ASN 703 Ca -0.03 -0.34 -0.03 0.00 0.04 0.00 0.00 52.86 52.50 3dxj s ASN 703 Cb -0.14 -0.23 0.09 0.00 -1.54 0.00 0.00 41.25 39.42 3dxj s ASN 703 CO 0.04 0.22 0.09 -0.60 -3.04 0.00 0.00 177.10 173.81 3dxj s ARG 704 N -0.48 0.49 0.59 0.43 3.00 -1.24 0.54 118.95 122.28 3dxj s ARG 704 Ca 0.07 -0.70 -0.16 0.00 -1.00 0.00 0.00 55.73 53.94 3dxj s ARG 704 Cb -0.07 -1.73 -0.04 0.00 0.00 0.00 0.00 34.95 33.11 3dxj s ARG 704 CO -0.01 -0.91 1.07 0.00 0.00 0.00 0.00 175.30 175.45 3dxj s ALA 705 N 1.86 2.72 0.26 6.12 0.00 -1.26 -4.02 121.76 127.43 3dxj s ALA 705 Ca 0.07 0.45 -0.30 0.00 0.00 0.00 0.00 51.96 52.18 3dxj s ALA 705 Cb -0.17 -3.25 -0.09 0.00 0.00 0.00 0.00 23.12 19.61 3dxj s ALA 705 CO -0.25 -0.82 1.12 -2.14 0.00 0.00 0.00 175.76 173.67 3dxj s PRO 706 N -3.97 4.60 -0.65 0.00 0.02 -1.26 -5.08 135.00 128.66 3dxj s PRO 706 Ca 0.65 1.82 -0.23 0.00 0.02 0.00 0.00 61.00 63.26 3dxj s PRO 706 Cb -0.17 -3.20 0.06 0.00 0.02 0.00 0.00 34.50 31.22 3dxj s PRO 706 CO 0.36 0.14 0.97 0.99 -0.33 0.00 0.00 177.00 179.13 3dxj s THR 707 N -0.92 4.30 -0.14 0.99 2.01 -1.26 -4.85 115.64 115.77 3dxj s THR 707 Ca 0.46 -0.23 0.03 0.00 0.31 0.00 0.00 61.69 62.26 3dxj s THR 707 Cb -0.32 -4.67 -0.23 0.00 0.01 0.00 0.00 72.50 67.28 3dxj s THR 707 CO 0.40 -1.43 0.30 0.18 -0.69 0.00 0.00 174.62 173.39 3dxj n LEU 708 N 7.75 1.92 -4.07 4.42 4.77 -1.26 -4.94 117.00 125.60 3dxj n LEU 708 Ca -0.03 0.17 -0.16 0.00 -0.03 0.00 0.00 56.01 55.96 3dxj n LEU 708 Cb 0.46 -0.54 -0.13 0.00 -2.33 0.00 0.00 43.42 40.88 3dxj n LEU 708 CO 0.64 0.71 -0.43 -1.38 -1.33 0.00 0.00 177.39 175.60 3dxj s HIS 709 N -2.55 0.83 0.18 -1.77 -3.43 -1.26 -4.35 115.29 102.94 3dxj s HIS 709 Ca -0.19 -0.33 0.02 0.00 -0.80 0.00 0.00 55.06 53.76 3dxj s HIS 709 Cb 0.07 -0.50 0.48 0.00 -1.43 0.00 0.00 32.58 31.20 3dxj s HIS 709 CO 0.76 -0.02 0.91 2.89 -2.00 0.00 0.00 174.74 177.28 3dxj n ARG 710 N 2.03 -0.05 0.00 -0.38 1.85 -1.26 0.28 116.66 119.14 3dxj n ARG 710 Ca -0.18 0.86 0.00 0.00 -1.00 0.00 0.00 57.85 57.53 3dxj n ARG 710 Cb 0.56 -1.39 0.02 0.00 -1.05 0.00 0.00 32.46 30.60 3dxj n ARG 710 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 3dxj n LEU 711 N -4.69 0.00 0.00 2.89 4.32 -1.26 -0.76 117.00 117.50 3dxj n LEU 711 Ca 0.15 0.00 0.09 0.00 -0.02 0.00 0.00 56.01 56.23 3dxj n LEU 711 Cb 0.48 0.00 0.54 0.00 -1.62 0.00 0.00 43.42 42.82 3dxj n LEU 711 CO -0.04 0.00 0.76 0.61 -1.22 0.00 0.00 177.39 177.50 3dxj n GLY 712 N -0.55 -0.73 2.98 -0.72 0.00 0.81 -4.34 105.19 102.64 3dxj n GLY 712 Ca 0.01 -0.11 -0.13 0.00 0.00 0.00 0.00 46.02 45.79 3dxj n GLY 712 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dxj s ILE 713 N -2.00 -0.01 0.11 -0.61 1.01 0.06 -3.62 121.20 116.13 3dxj s ILE 713 Ca 0.27 0.05 -0.14 0.00 0.00 0.00 0.00 60.65 60.83 3dxj s ILE 713 Cb 0.12 -0.20 0.03 0.00 0.01 0.00 0.00 42.46 42.42 3dxj s ILE 713 CO 0.21 0.02 0.35 -1.10 0.00 0.00 0.00 174.94 174.42 3dxj s GLN 714 N 0.35 1.00 0.11 2.79 -0.21 -1.10 -4.96 119.66 117.65 3dxj s GLN 714 Ca -0.02 -0.74 0.07 0.00 0.02 0.00 0.00 55.36 54.69 3dxj s GLN 714 Cb -0.04 0.43 -0.04 0.00 1.00 0.00 0.00 33.01 34.37 3dxj s GLN 714 CO -0.01 -0.37 -0.10 0.00 -2.12 0.00 0.00 175.29 172.69 3dxj s ALA 715 N -3.69 2.96 0.03 6.09 0.00 -0.66 -0.43 121.76 126.06 3dxj s ALA 715 Ca 0.03 -1.27 -0.17 0.00 0.00 0.00 0.00 51.96 50.55 3dxj s ALA 715 Cb 0.02 -0.88 0.03 0.00 0.00 0.00 0.00 23.12 22.30 3dxj s ALA 715 CO -0.11 0.62 0.37 -0.06 0.00 0.00 0.00 175.76 176.58 3dxj s PHE 716 N -1.28 -0.21 -0.26 0.00 0.40 -0.86 -2.06 117.98 113.71 3dxj s PHE 716 Ca 0.22 0.20 -0.23 0.00 -0.60 0.00 0.00 56.93 56.52 3dxj s PHE 716 Cb -0.11 0.16 -0.01 0.00 0.51 0.00 0.00 43.02 43.57 3dxj s PHE 716 CO 0.14 -0.51 0.75 -0.65 0.70 0.00 0.00 175.22 175.65 3dxj s GLN 717 N -2.18 4.11 0.70 0.44 -0.21 -0.21 -1.05 119.66 121.25 3dxj s GLN 717 Ca -0.07 0.72 -0.11 0.00 0.02 0.00 0.00 55.36 55.92 3dxj s GLN 717 Cb -0.02 -3.66 0.01 0.00 1.00 0.00 0.00 33.01 30.34 3dxj s GLN 717 CO -0.01 -0.51 1.07 -1.25 -2.12 0.00 0.00 175.29 172.47 3dxj s PRO 718 N 2.74 2.87 -0.04 2.91 0.04 -1.26 -3.08 135.00 139.19 3dxj s PRO 718 Ca 0.31 0.76 0.04 0.00 0.04 0.00 0.00 61.00 62.15 3dxj s PRO 718 Cb -0.15 -2.00 -0.00 0.00 0.04 0.00 0.00 34.50 32.39 3dxj s PRO 718 CO 0.09 -1.10 -0.15 0.08 0.04 0.00 0.00 177.00 175.96 3dxj s VAL 719 N -3.15 1.25 0.27 -0.36 1.01 -0.59 -4.85 120.40 113.98 3dxj s VAL 719 Ca 0.58 -0.62 -0.30 0.00 0.00 0.00 0.00 61.98 61.64 3dxj s VAL 719 Cb -0.13 -1.08 -0.10 0.00 0.00 0.00 0.00 36.38 35.07 3dxj s VAL 719 CO 0.54 0.37 1.39 -0.76 0.00 0.00 0.00 175.10 176.64 3dxj s LEU 720 N 0.07 4.40 0.07 3.92 1.43 -1.26 -1.02 118.68 126.29 3dxj s LEU 720 Ca -0.03 2.65 0.02 0.00 -1.03 0.00 0.00 54.13 55.73 3dxj s LEU 720 Cb -0.11 -3.63 -0.03 0.00 0.03 0.00 0.00 46.19 42.45 3dxj s LEU 720 CO 0.02 -0.64 -0.07 0.68 0.23 0.00 0.00 176.35 176.57 3dxj s VAL 721 N -0.34 0.58 0.73 -1.59 -7.23 0.40 -4.77 120.40 108.17 3dxj s VAL 721 Ca 0.56 -1.57 -0.09 0.00 -1.81 0.00 0.00 61.98 59.07 3dxj s VAL 721 Cb -0.41 -1.22 0.06 0.00 0.56 0.00 0.00 36.38 35.37 3dxj s VAL 721 CO 0.46 -0.69 1.07 -1.61 -0.31 0.00 0.00 175.10 174.02 3dxj s GLU 722 N -2.92 2.28 0.20 4.82 0.41 -1.26 -1.55 118.70 120.69 3dxj s GLU 722 Ca 0.02 0.00 0.00 0.00 -0.41 0.00 0.00 54.97 54.58 3dxj s GLU 722 Cb -0.01 -2.08 0.00 0.00 -1.78 0.00 0.00 34.13 30.26 3dxj s GLU 722 CO -0.03 -1.28 0.00 0.41 -0.49 0.00 0.00 175.26 173.87 3dxj n GLY 723 N -3.04 -2.89 2.71 -1.39 0.00 -1.26 -4.53 105.19 94.79 3dxj n GLY 723 Ca 0.07 -1.31 -0.34 0.00 0.00 0.00 0.00 46.02 44.44 3dxj n GLY 723 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dxj n GLN 724 N -2.71 2.66 -3.96 1.61 10.64 -1.26 -4.50 117.38 119.87 3dxj n GLN 724 Ca -0.03 -3.00 -0.09 0.00 -1.83 0.00 0.00 57.00 52.04 3dxj n GLN 724 Cb 0.22 -2.22 -0.11 0.00 -0.86 0.00 0.00 30.24 27.27 3dxj n GLN 724 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.06 173.69 3dxj s SER 725 N -0.41 0.20 -0.18 2.61 1.04 -1.26 -4.63 113.70 111.07 3dxj s SER 725 Ca 0.55 -0.45 -0.18 0.00 0.48 0.00 0.00 55.95 56.34 3dxj s SER 725 Cb 0.41 0.13 -0.03 0.00 0.10 0.00 0.00 66.02 66.63 3dxj s SER 725 CO -0.32 -0.34 0.51 -0.63 0.98 0.00 0.00 173.24 173.44 3dxj s ILE 726 N -1.59 5.12 -0.48 -1.02 1.01 0.15 -4.08 121.20 120.31 3dxj s ILE 726 Ca -0.14 0.96 -0.20 0.00 0.00 0.00 0.00 60.65 61.27 3dxj s ILE 726 Cb -0.08 -3.84 0.04 0.00 0.01 0.00 0.00 42.46 38.59 3dxj s ILE 726 CO -0.01 0.21 0.64 -1.10 0.00 0.00 0.00 174.94 174.68 3dxj s GLN 727 N 1.39 3.18 0.06 2.79 -0.21 -1.03 0.22 119.66 126.06 3dxj s GLN 727 Ca 0.25 -0.67 -0.12 0.00 0.02 0.00 0.00 55.36 54.83 3dxj s GLN 727 Cb -0.15 -4.04 -0.06 0.00 1.00 0.00 0.00 33.01 29.76 3dxj s GLN 727 CO 0.10 -1.15 0.42 -1.17 -2.12 0.00 0.00 175.29 171.37 3dxj s LEU 728 N 2.75 4.39 -0.29 2.90 2.96 0.81 -0.55 118.68 131.65 3dxj s LEU 728 Ca 0.18 0.88 -0.29 0.00 -0.22 0.00 0.00 54.13 54.69 3dxj s LEU 728 Cb -0.17 -2.86 0.01 0.00 0.50 0.00 0.00 46.19 43.66 3dxj s LEU 728 CO 0.15 0.22 1.16 -2.28 -1.32 0.00 0.00 176.35 174.28 3dxj s HIS 729 N -1.29 3.00 0.27 5.38 5.65 -1.26 -0.13 115.29 126.90 3dxj s HIS 729 Ca 0.30 1.11 0.13 0.00 0.25 0.00 0.00 55.06 56.85 3dxj s HIS 729 Cb -0.15 -3.70 0.92 0.00 -1.18 0.00 0.00 32.58 28.48 3dxj s HIS 729 CO 0.16 -1.11 1.17 -0.35 -0.65 0.00 0.00 174.74 173.96 3dxj n PRO 730 N 6.92 -0.05 -0.24 2.88 -0.04 -1.26 -1.74 135.00 141.47 3dxj n PRO 730 Ca 0.13 1.04 -0.08 0.00 -0.04 0.00 0.00 63.50 64.55 3dxj n PRO 730 Cb 0.47 -1.83 0.04 0.00 -0.04 0.00 0.00 33.50 32.14 3dxj n PRO 730 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3dxj h LEU 731 N 0.00 1.00 -1.26 1.53 3.38 -1.92 -2.91 115.31 115.13 3dxj h LEU 731 Ca 0.60 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.34 3dxj h LEU 731 Cb 1.54 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 42.02 3dxj h LEU 731 CO -0.60 0.97 0.00 -0.37 0.09 0.00 0.00 178.44 178.54 3dxj h VAL 732 N 0.99 0.00 0.00 1.22 -1.51 -1.74 -2.87 116.25 112.34 3dxj h VAL 732 Ca 0.21 -0.36 0.00 0.00 -1.23 0.00 0.00 66.70 65.32 3dxj h VAL 732 Cb 0.36 1.24 0.00 0.00 -2.13 0.00 0.00 31.29 30.75 3dxj h VAL 732 CO 0.00 0.00 0.32 0.00 -1.23 0.00 0.00 177.57 176.66 3dxj n GLU 734 N -2.58 0.00 -0.06 0.00 -0.58 -1.08 -2.15 120.64 114.19 3dxj n GLU 734 Ca -0.02 0.10 -0.07 0.00 -0.42 0.00 0.00 57.16 56.75 3dxj n GLU 734 Cb 0.35 -0.96 -0.01 0.00 -0.57 0.00 0.00 31.44 30.25 3dxj n GLU 734 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3dxj h ALA 735 N -2.02 0.00 0.00 0.62 0.00 -1.67 0.81 119.26 117.01 3dxj h ALA 735 Ca 0.00 0.09 -0.20 0.00 0.00 0.00 0.00 54.91 54.80 3dxj h ALA 735 Cb 0.00 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 3dxj h ALA 735 CO 0.00 -0.59 0.73 1.19 0.00 0.00 0.00 179.25 180.58 3dxj n PHE 736 N -5.34 0.42 -1.44 0.00 3.01 -0.20 -4.76 117.46 109.15 3dxj n PHE 736 Ca -0.00 -1.27 -0.26 0.00 1.01 0.00 0.00 57.45 56.93 3dxj n PHE 736 Cb 0.25 -1.33 -0.20 0.00 -0.01 0.00 0.00 39.48 38.19 3dxj n PHE 736 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 3dxj n ASN 737 N 3.08 -0.99 -3.64 4.37 5.15 0.28 -4.62 115.26 118.89 3dxj n ASN 737 Ca 0.33 -0.35 -0.09 0.00 -0.60 0.00 0.00 54.58 53.88 3dxj n ASN 737 Cb 0.46 -0.61 -0.07 0.00 -0.53 0.00 0.00 39.78 39.03 3dxj n ASN 737 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3dxj s ALA 738 N 2.21 -1.99 0.46 5.20 0.00 -1.16 -5.02 121.76 121.47 3dxj s ALA 738 Ca 1.28 1.99 0.06 0.00 0.00 0.00 0.00 51.96 55.28 3dxj s ALA 738 Cb -0.92 -1.44 -0.03 0.00 0.00 0.00 0.00 23.12 20.73 3dxj s ALA 738 CO 0.53 -0.28 0.19 0.16 0.00 0.00 0.00 175.76 176.36 3dxj s ASP 739 N 0.51 4.39 -0.81 0.00 -4.77 -1.26 -4.82 116.67 109.91 3dxj s ASP 739 Ca -0.00 -1.23 -0.03 0.00 -3.30 0.00 0.00 52.55 47.99 3dxj s ASP 739 Cb -0.05 -0.09 0.24 0.00 -1.09 0.00 0.00 42.92 41.92 3dxj s ASP 739 CO -0.07 -0.72 2.25 0.49 0.70 0.00 0.00 175.17 177.82 3dxj n PHE 740 N -1.35 2.50 -1.04 2.11 3.01 -1.26 -3.57 117.46 117.86 3dxj n PHE 740 Ca -0.05 -2.30 0.03 0.00 1.01 0.00 0.00 57.45 56.14 3dxj n PHE 740 Cb 0.65 -1.32 0.30 0.00 -0.01 0.00 0.00 39.48 39.10 3dxj n PHE 740 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 3dxj n ASP 741 N 0.19 4.38 0.00 4.37 5.75 -1.26 -4.84 116.55 125.14 3dxj n ASP 741 Ca 0.52 -3.14 0.00 0.00 -0.01 0.00 0.00 54.79 52.16 3dxj n ASP 741 Cb 0.33 -0.64 0.00 0.00 -1.03 0.00 0.00 41.12 39.78 3dxj n ASP 741 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3dxj n GLY 742 N -0.25 1.61 3.56 6.12 0.00 -1.26 -5.11 105.19 109.87 3dxj n GLY 742 Ca 0.29 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.82 3dxj n GLY 742 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3dxj n ASP 743 N 0.00 1.12 -4.85 1.61 8.00 -1.23 -4.78 116.55 116.42 3dxj n ASP 743 Ca 0.00 1.14 -0.21 0.00 0.71 0.00 0.00 54.79 56.43 3dxj n ASP 743 Cb 0.00 -1.19 -0.04 0.00 -0.02 0.00 0.00 41.12 39.87 3dxj n ASP 743 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3dxj s GLN 744 N -0.45 2.57 0.09 -1.24 -0.21 -1.26 -1.83 119.66 117.32 3dxj s GLN 744 Ca 0.73 -1.47 0.01 0.00 0.02 0.00 0.00 55.36 54.64 3dxj s GLN 744 Cb -0.87 -2.37 -0.04 0.00 1.00 0.00 0.00 33.01 30.73 3dxj s GLN 744 CO 0.53 -0.06 -0.04 -1.64 -2.12 0.00 0.00 175.29 171.96 3dxj s MET 745 N -4.05 0.78 -0.02 2.91 -1.94 0.11 -4.79 119.30 112.31 3dxj s MET 745 Ca 0.44 -1.32 0.02 0.00 -1.71 0.00 0.00 55.69 53.12 3dxj s MET 745 Cb -0.04 -0.03 -0.03 0.00 2.01 0.00 0.00 34.83 36.74 3dxj s MET 745 CO 0.27 -0.08 -0.05 0.00 -0.01 0.00 0.00 175.02 175.15 3dxj s ALA 746 N -3.77 3.08 0.12 3.03 0.00 0.19 -2.05 121.76 122.37 3dxj s ALA 746 Ca 0.12 -0.96 0.11 0.00 0.00 0.00 0.00 51.96 51.23 3dxj s ALA 746 Cb 0.06 -1.22 -0.04 0.00 0.00 0.00 0.00 23.12 21.92 3dxj s ALA 746 CO -0.05 0.61 -0.26 0.54 0.00 0.00 0.00 175.76 176.60 3dxj s VAL 747 N -0.96 2.33 -0.01 0.00 0.11 0.17 0.03 120.40 122.06 3dxj s VAL 747 Ca 0.16 -1.70 -0.06 0.00 -2.93 0.00 0.00 61.98 57.44 3dxj s VAL 747 Cb -0.11 -2.03 0.00 0.00 -1.53 0.00 0.00 36.38 32.71 3dxj s VAL 747 CO 0.06 0.11 0.13 -1.00 -3.33 0.00 0.00 175.10 171.07 3dxj s HIS 748 N -1.06 -0.00 -0.27 1.54 3.76 -0.00 -2.06 115.29 117.20 3dxj s HIS 748 Ca 0.14 -0.01 -0.06 0.00 -0.15 0.00 0.00 55.06 54.98 3dxj s HIS 748 Cb -0.10 -0.03 -0.00 0.00 1.11 0.00 0.00 32.58 33.56 3dxj s HIS 748 CO 0.06 -0.22 0.05 0.08 -0.85 0.00 0.00 174.74 173.86 3dxj s VAL 749 N -0.99 3.90 -0.64 -0.90 1.01 -1.08 -0.71 120.40 121.01 3dxj s VAL 749 Ca -0.11 -0.57 -0.27 0.00 0.00 0.00 0.00 61.98 61.03 3dxj s VAL 749 Cb -0.06 -2.94 -0.00 0.00 0.00 0.00 0.00 36.38 33.38 3dxj s VAL 749 CO 0.01 0.19 1.63 -2.16 0.00 0.00 0.00 175.10 174.77 3dxj s PRO 750 N 1.51 2.90 0.00 2.72 0.04 -1.26 -4.92 135.00 135.99 3dxj s PRO 750 Ca 0.04 0.36 0.00 0.00 0.04 0.00 0.00 61.00 61.44 3dxj s PRO 750 Cb -0.16 -4.29 0.00 0.00 0.04 0.00 0.00 34.50 30.09 3dxj s PRO 750 CO 0.02 -2.43 0.00 1.28 0.04 0.00 0.00 177.00 175.90 3dxj n LEU 751 N 11.28 0.00 -3.35 -3.56 4.77 -1.26 -4.06 117.00 120.81 3dxj n LEU 751 Ca 0.14 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.82 3dxj n LEU 751 Cb 0.51 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.61 3dxj n LEU 751 CO 0.71 0.00 -0.71 -1.54 -1.33 0.00 0.00 177.39 174.52 3dxj n SER 752 N 0.00 -3.62 -0.13 -1.43 3.41 -1.26 -4.49 113.62 106.10 3dxj n SER 752 Ca 0.00 0.40 -0.04 0.00 -0.26 0.00 0.00 58.87 58.96 3dxj n SER 752 Cb 0.00 -0.66 0.04 0.00 -0.26 0.00 0.00 64.21 63.33 3dxj n SER 752 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3dxj h SER 753 N -0.28 0.02 -0.47 4.04 0.02 -2.00 -1.95 113.55 112.92 3dxj h SER 753 Ca -0.34 0.07 0.09 0.00 -0.84 0.00 0.00 61.79 60.77 3dxj h SER 753 Cb 1.13 0.09 -0.08 0.00 0.14 0.00 0.00 62.40 63.68 3dxj h SER 753 CO 0.28 0.04 -0.01 0.15 -1.14 0.00 0.00 176.83 176.16 3dxj h PHE 754 N 0.22 -0.04 0.70 3.45 -0.00 -1.97 -0.38 116.94 118.92 3dxj h PHE 754 Ca 0.21 0.04 -0.03 0.00 -0.00 0.00 0.00 57.97 58.18 3dxj h PHE 754 Cb 0.25 0.09 -0.01 0.00 -0.00 0.00 0.00 35.95 36.28 3dxj h PHE 754 CO -0.20 -0.11 -0.50 0.00 -0.00 0.00 0.00 178.31 177.49 3dxj h ALA 755 N 1.42 -1.23 -0.96 2.41 0.00 -1.72 -1.56 119.26 117.62 3dxj h ALA 755 Ca 0.24 -0.23 0.28 0.00 0.00 0.00 0.00 54.91 55.19 3dxj h ALA 755 Cb 0.35 0.66 -0.18 0.00 0.00 0.00 0.00 17.79 18.63 3dxj h ALA 755 CO -0.40 -1.22 0.07 1.04 0.00 0.00 0.00 179.25 178.74 3dxj n GLN 756 N -5.61 -0.07 0.00 0.00 1.13 -0.79 -1.41 117.38 110.63 3dxj n GLN 756 Ca -0.14 1.42 0.00 0.00 -1.94 0.00 0.00 57.00 56.34 3dxj n GLN 756 Cb 0.49 -2.28 0.00 0.00 0.11 0.00 0.00 30.24 28.56 3dxj n GLN 756 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3dxj n ALA 757 N -3.10 -0.31 -0.36 -1.58 0.00 -0.21 -0.20 120.51 114.75 3dxj n ALA 757 Ca 0.24 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.65 3dxj n ALA 757 Cb 0.78 0.12 0.02 0.00 0.00 0.00 0.00 19.45 20.37 3dxj n ALA 757 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3dxj n GLU 758 N -2.00 -0.24 0.00 0.00 1.02 -0.67 -1.00 120.64 117.74 3dxj n GLU 758 Ca 0.00 1.40 0.00 0.00 -0.02 0.00 0.00 57.16 58.54 3dxj n GLU 758 Cb 0.00 -2.07 0.00 0.00 -0.02 0.00 0.00 31.44 29.35 3dxj n GLU 758 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3dxj n ALA 759 N -3.49 0.00 0.16 0.62 0.00 -0.50 -0.15 120.51 117.15 3dxj n ALA 759 Ca 0.08 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.55 3dxj n ALA 759 Cb 0.34 0.13 0.16 0.00 0.00 0.00 0.00 19.45 20.09 3dxj n ALA 759 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3dxj n ARG 760 N -0.63 0.05 0.00 0.00 1.74 0.72 -0.63 116.66 117.91 3dxj n ARG 760 Ca 0.00 0.51 0.00 0.00 -0.77 0.00 0.00 57.85 57.59 3dxj n ARG 760 Cb 0.00 -2.19 0.00 0.00 -1.02 0.00 0.00 32.46 29.25 3dxj n ARG 760 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3dxj n ILE 761 N -1.87 0.00 0.88 0.55 5.41 -0.17 -4.53 119.36 119.62 3dxj n ILE 761 Ca -0.00 0.28 0.09 0.00 1.00 0.00 0.00 62.75 64.11 3dxj n ILE 761 Cb 0.55 -1.27 0.26 0.00 -0.71 0.00 0.00 39.64 38.47 3dxj n ILE 761 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3dxj n GLN 762 N -2.05 1.90 0.00 0.38 10.64 0.79 -4.19 117.38 124.85 3dxj n GLN 762 Ca 0.00 -1.39 0.00 0.00 -1.83 0.00 0.00 57.00 53.78 3dxj n GLN 762 Cb 0.00 -1.36 0.00 0.00 -0.86 0.00 0.00 30.24 28.02 3dxj n GLN 762 CO 0.00 0.00 0.00 -1.33 -1.83 0.00 0.00 177.06 173.90 3dxj n MET 763 N 0.61 2.65 -1.84 2.61 2.81 0.20 -4.96 117.12 119.20 3dxj n MET 763 Ca 0.15 -0.19 -0.42 0.00 -1.81 0.00 0.00 57.70 55.43 3dxj n MET 763 Cb 0.36 -0.65 -0.03 0.00 -0.71 0.00 0.00 33.22 32.19 3dxj n MET 763 CO 0.00 0.00 0.00 -1.17 1.51 0.00 0.00 175.97 176.31 3dxj s LEU 764 N -0.87 4.38 0.29 4.03 2.96 -1.08 -1.65 118.68 126.74 3dxj s LEU 764 Ca 0.00 2.64 -0.00 0.00 -0.22 0.00 0.00 54.13 56.55 3dxj s LEU 764 Cb 0.00 -3.57 0.67 0.00 0.50 0.00 0.00 46.19 43.79 3dxj s LEU 764 CO 0.00 -0.92 1.60 0.77 -1.32 0.00 0.00 176.35 176.48 3dxj h SER 765 N 7.98 -0.36 0.00 3.68 4.64 -1.73 0.89 113.55 128.65 3dxj h SER 765 Ca -0.44 0.24 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 3dxj h SER 765 Cb 1.21 0.41 0.00 0.00 -0.31 0.00 0.00 62.40 63.71 3dxj h SER 765 CO 0.94 -0.28 0.00 0.00 -0.87 0.00 0.00 176.83 176.62 3dxj n ALA 766 N -3.01 1.90 -0.35 5.18 0.00 -1.26 -2.23 120.51 120.74 3dxj n ALA 766 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.65 3dxj n ALA 766 Cb 0.68 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.13 3dxj n ALA 766 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3dxj n HIS 767 N -0.03 0.00 -3.77 0.00 8.25 0.31 -4.88 115.22 115.10 3dxj n HIS 767 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.16 3dxj n HIS 767 Cb 0.09 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.06 3dxj n HIS 767 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 3dxj s ASN 768 N -0.02 3.89 -0.11 0.41 0.01 -0.95 -4.90 114.94 113.27 3dxj s ASN 768 Ca 0.00 -2.49 0.12 0.00 -0.71 0.00 0.00 52.86 49.78 3dxj s ASN 768 Cb 0.00 -1.14 -0.17 0.00 0.41 0.00 0.00 41.25 40.35 3dxj s ASN 768 CO 0.00 -0.29 0.09 0.18 -1.51 0.00 0.00 177.10 175.57 3dxj n LEU 769 N 3.75 0.00 -4.93 0.60 4.32 -1.26 -4.63 117.00 114.85 3dxj n LEU 769 Ca 0.06 0.00 -0.28 0.00 -0.02 0.00 0.00 56.01 55.77 3dxj n LEU 769 Cb 0.36 0.26 -0.03 0.00 -1.62 0.00 0.00 43.42 42.39 3dxj n LEU 769 CO 0.23 0.26 -0.11 -0.76 -1.22 0.00 0.00 177.39 175.80 3dxj s LEU 770 N -4.79 4.34 -0.12 2.23 1.43 -1.17 0.23 118.68 120.84 3dxj s LEU 770 Ca -0.06 0.22 -0.27 0.00 -1.03 0.00 0.00 54.13 52.99 3dxj s LEU 770 Cb 0.05 -2.94 -0.02 0.00 0.03 0.00 0.00 46.19 43.31 3dxj s LEU 770 CO 0.55 0.09 0.90 -0.55 0.23 0.00 0.00 176.35 177.56 3dxj s SER 771 N -2.97 7.10 0.58 2.29 0.15 0.45 -4.37 113.70 116.93 3dxj s SER 771 Ca 0.35 1.35 0.38 0.00 0.70 0.00 0.00 55.95 58.73 3dxj s SER 771 Cb -0.12 -2.50 2.08 0.00 -1.71 0.00 0.00 66.02 63.78 3dxj s SER 771 CO 0.28 -0.39 2.17 -0.65 1.20 0.00 0.00 173.24 175.86 3dxj h PRO 772 N 7.15 0.00 0.00 5.44 0.11 -1.86 2.15 132.00 145.00 3dxj h PRO 772 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 3dxj h PRO 772 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3dxj h PRO 772 CO 0.83 0.00 -0.28 0.00 -0.21 0.00 0.00 178.00 178.35 3dxj h ALA 773 N 1.96 0.00 0.05 -0.75 0.00 -1.92 -3.42 119.26 115.17 3dxj h ALA 773 Ca 0.00 -0.30 -0.31 0.00 0.00 0.00 0.00 54.91 54.30 3dxj h ALA 773 Cb 0.04 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3dxj h ALA 773 CO 0.00 0.28 -1.72 0.66 0.00 0.00 0.00 179.25 178.47 3dxj h SER 774 N -0.84 0.16 0.00 0.00 4.64 -1.71 -2.68 113.55 113.12 3dxj h SER 774 Ca 0.00 -0.33 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 3dxj h SER 774 Cb 0.28 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 3dxj h SER 774 CO 0.00 1.29 0.00 0.61 -0.87 0.00 0.00 176.83 177.86 3dxj n GLY 775 N 1.67 0.61 3.85 -0.77 0.00 0.73 -4.81 105.19 106.46 3dxj n GLY 775 Ca -0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 3dxj n GLY 775 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dxj s GLU 776 N -0.79 3.88 -0.52 1.61 0.41 -1.25 -4.08 118.70 117.96 3dxj s GLU 776 Ca 0.00 0.92 -0.27 0.00 -0.41 0.00 0.00 54.97 55.21 3dxj s GLU 776 Cb 0.00 -2.12 -0.09 0.00 -1.78 0.00 0.00 34.13 30.14 3dxj s GLU 776 CO 0.00 -0.33 2.43 -2.30 -0.49 0.00 0.00 175.26 174.57 3dxj n PRO 777 N -1.79 1.00 0.23 0.39 -0.02 -1.26 0.17 135.00 133.71 3dxj n PRO 777 Ca 0.06 0.05 -0.10 0.00 -2.02 0.00 0.00 63.50 61.49 3dxj n PRO 777 Cb 0.54 -3.18 -0.05 0.00 -0.02 0.00 0.00 33.50 30.79 3dxj n PRO 777 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3dxj h LEU 778 N 18.20 -0.53 -8.48 2.45 5.85 0.27 -3.39 115.31 129.68 3dxj h LEU 778 Ca -0.23 0.02 -0.51 0.00 0.84 0.00 0.00 57.88 57.99 3dxj h LEU 778 Cb 1.27 0.14 -0.04 0.00 0.37 0.00 0.00 40.66 42.40 3dxj h LEU 778 CO 1.17 -0.16 1.29 0.00 -0.34 0.00 0.00 178.44 180.39 3dxj s ALA 779 N -4.17 2.32 0.14 1.25 0.00 -1.14 -4.89 121.76 115.27 3dxj s ALA 779 Ca -0.09 -0.76 -0.15 0.00 0.00 0.00 0.00 51.96 50.96 3dxj s ALA 779 Cb 0.01 -4.28 0.02 0.00 0.00 0.00 0.00 23.12 18.87 3dxj s ALA 779 CO 0.27 -3.71 0.38 -1.59 0.00 0.00 0.00 175.76 171.12 3dxj s LYS 780 N 6.70 1.12 0.05 0.00 -2.85 -1.26 -4.99 119.74 118.50 3dxj s LYS 780 Ca 0.61 -0.83 -0.32 0.00 -1.00 0.00 0.00 55.97 54.42 3dxj s LYS 780 Cb -0.12 0.45 -0.17 0.00 -2.06 0.00 0.00 37.83 35.93 3dxj s LYS 780 CO 0.20 -0.43 0.81 -2.30 0.10 0.00 0.00 175.35 173.73 3dxj n PRO 781 N -0.23 0.00 0.01 1.78 -0.02 -1.26 -4.91 135.00 130.37 3dxj n PRO 781 Ca -0.14 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.32 3dxj n PRO 781 Cb 0.63 -1.20 -0.01 0.00 -0.02 0.00 0.00 33.50 32.90 3dxj n PRO 781 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3dxj n SER 782 N 1.44 1.21 0.00 2.55 7.64 -1.26 -4.87 113.62 120.34 3dxj n SER 782 Ca 0.17 0.17 0.00 0.00 1.01 0.00 0.00 58.87 60.22 3dxj n SER 782 Cb 0.11 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 62.89 3dxj n SER 782 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3dxj n ARG 783 N -3.64 0.00 -0.18 1.43 1.74 -1.26 -4.70 116.66 110.05 3dxj n ARG 783 Ca -0.03 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.04 3dxj n ARG 783 Cb 0.13 0.00 0.08 0.00 -1.02 0.00 0.00 32.46 31.64 3dxj n ARG 783 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 3dxj h ASP 784 N 0.00 -0.25 0.11 0.55 5.19 -1.95 -2.53 116.42 117.54 3dxj h ASP 784 Ca 0.00 0.13 0.00 0.00 -0.62 0.00 0.00 57.03 56.55 3dxj h ASP 784 Cb 0.00 0.24 -0.02 0.00 0.18 0.00 0.00 39.33 39.73 3dxj h ASP 784 CO 0.00 -0.09 -0.29 0.40 -3.12 0.00 0.00 179.24 176.14 3dxj h ILE 785 N 0.11 0.00 -0.36 0.35 2.04 -1.90 -2.33 117.51 115.42 3dxj h ILE 785 Ca 0.28 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.18 3dxj h ILE 785 Cb 0.44 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.48 3dxj h ILE 785 CO -0.47 0.00 -0.22 0.40 0.00 0.00 0.00 178.15 177.86 3dxj h ILE 786 N -0.45 0.00 -0.81 -0.67 2.04 -1.80 -0.31 117.51 115.52 3dxj h ILE 786 Ca -0.01 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.94 3dxj h ILE 786 Cb 0.43 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.41 3dxj h ILE 786 CO -0.13 0.00 -0.43 -0.11 0.00 0.00 0.00 178.15 177.48 3dxj n LEU 787 N -3.84 -0.76 0.00 1.44 7.94 -0.98 0.89 117.00 121.69 3dxj n LEU 787 Ca 0.01 1.43 0.00 0.00 -1.11 0.00 0.00 56.01 56.34 3dxj n LEU 787 Cb 0.10 -0.22 0.00 0.00 0.53 0.00 0.00 43.42 43.82 3dxj n LEU 787 CO -0.06 -1.20 0.44 0.61 -1.11 0.00 0.00 177.39 176.07 3dxj n GLY 788 N -1.25 -3.07 0.41 -3.96 0.00 -0.20 0.31 105.19 97.42 3dxj n GLY 788 Ca 0.03 0.45 -0.09 0.00 0.00 0.00 0.00 46.02 46.41 3dxj n GLY 788 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3dxj n LEU 789 N -2.24 -0.98 -0.25 0.99 4.77 0.52 0.61 117.00 120.41 3dxj n LEU 789 Ca 0.00 1.74 0.00 0.00 -0.03 0.00 0.00 56.01 57.72 3dxj n LEU 789 Cb 0.00 -0.25 0.07 0.00 -2.33 0.00 0.00 43.42 40.92 3dxj n LEU 789 CO 0.00 -1.44 0.70 0.22 -1.33 0.00 0.00 177.39 175.54 3dxj h TYR 790 N 0.00 -0.49 0.00 -1.77 5.03 0.11 -0.11 116.97 119.73 3dxj h TYR 790 Ca 0.18 0.07 0.00 0.00 2.58 0.00 0.00 58.73 61.56 3dxj h TYR 790 Cb 0.43 0.33 0.00 0.00 1.55 0.00 0.00 36.73 39.04 3dxj h TYR 790 CO -0.99 -0.33 0.00 0.98 -1.32 0.00 0.00 178.16 176.50 3dxj n TYR 791 N -5.49 0.00 -0.37 -3.82 9.36 0.20 -2.00 117.16 115.05 3dxj n TYR 791 Ca 0.09 0.00 0.29 0.00 3.32 0.00 0.00 57.90 61.60 3dxj n TYR 791 Cb 0.38 -0.04 0.56 0.00 -0.63 0.00 0.00 39.34 39.61 3dxj n TYR 791 CO 0.00 0.00 0.00 -0.84 0.22 0.00 0.00 176.86 176.24 3dxj h ILE 792 N 0.00 0.32 -0.17 2.97 3.07 -1.22 0.11 117.51 122.59 3dxj h ILE 792 Ca 0.00 -0.09 -0.11 0.00 1.55 0.00 0.00 64.86 66.22 3dxj h ILE 792 Cb 0.00 0.05 -0.05 0.00 -0.27 0.00 0.00 36.82 36.55 3dxj h ILE 792 CO 0.00 0.05 0.14 0.35 -1.05 0.00 0.00 178.15 177.64 3dxj n THR 793 N -4.71 2.03 -4.29 0.16 -2.24 -0.08 -3.60 114.28 101.54 3dxj n THR 793 Ca 0.31 -0.75 -0.16 0.00 -2.27 0.00 0.00 64.05 61.18 3dxj n THR 793 Cb 1.13 -1.29 -0.10 0.00 -2.10 0.00 0.00 70.33 67.96 3dxj n THR 793 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3dxj s GLN 794 N -0.63 1.23 0.04 -0.78 2.00 0.37 -3.21 119.66 118.68 3dxj s GLN 794 Ca 0.11 -1.59 0.00 0.00 -2.00 0.00 0.00 55.36 51.88 3dxj s GLN 794 Cb 0.09 -0.57 -0.00 0.00 0.80 0.00 0.00 33.01 33.32 3dxj s GLN 794 CO 0.00 -0.05 0.01 1.33 -0.50 0.00 0.00 175.29 176.08 3dxj n VAL 795 N -0.33 0.00 -4.51 1.34 0.24 -1.26 -3.96 118.33 109.86 3dxj n VAL 795 Ca -0.07 -0.22 -0.24 0.00 -2.04 0.00 0.00 64.34 61.77 3dxj n VAL 795 Cb 0.63 0.07 -0.09 0.00 -1.47 0.00 0.00 33.84 32.97 3dxj n VAL 795 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3dxj s ARG 796 N -2.15 1.82 -0.20 7.34 0.52 -1.12 -4.97 118.95 120.18 3dxj s ARG 796 Ca 0.01 -2.06 -0.28 0.00 -0.52 0.00 0.00 55.73 52.88 3dxj s ARG 796 Cb 0.00 -0.87 0.12 0.00 0.52 0.00 0.00 34.95 34.72 3dxj s ARG 796 CO 0.01 -0.30 0.97 0.15 0.02 0.00 0.00 175.30 176.14 3dxj s LYS 797 N -3.82 0.62 0.00 3.54 1.02 -1.26 -4.89 119.74 114.95 3dxj s LYS 797 Ca 0.29 0.36 0.00 0.00 0.02 0.00 0.00 55.97 56.63 3dxj s LYS 797 Cb 0.06 0.29 0.00 0.00 -0.52 0.00 0.00 37.83 37.66 3dxj s LYS 797 CO 0.14 -0.15 0.00 -1.91 -0.92 0.00 0.00 175.35 172.51 3dxj n GLU 798 N 1.37 0.00 0.00 1.68 4.07 -1.24 -5.05 120.64 121.47 3dxj n GLU 798 Ca -0.12 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.98 3dxj n GLU 798 Cb 0.57 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.95 3dxj n GLU 798 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 3dxj n LYS 799 N -1.67 0.00 -1.28 5.31 4.81 -1.26 -5.07 118.16 118.99 3dxj n LYS 799 Ca 0.00 0.14 0.00 0.00 -0.87 0.00 0.00 58.31 57.58 3dxj n LYS 799 Cb 0.00 -0.53 0.00 0.00 0.02 0.00 0.00 35.03 34.52 3dxj n LYS 799 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 3dxj n LYS 800 N -1.81 2.45 -1.42 1.64 0.00 -1.26 -5.01 118.16 112.76 3dxj n LYS 800 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 58.31 58.29 3dxj n LYS 800 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 35.03 35.05 3dxj n LYS 800 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3dxj n GLY 801 N 5.00 0.20 1.64 2.58 0.00 -1.24 -1.37 105.19 112.00 3dxj n GLY 801 Ca 0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 46.02 45.93 3dxj n GLY 801 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dxj n ALA 802 N -0.38 3.99 -2.57 4.61 0.00 -1.25 -4.65 120.51 120.26 3dxj n ALA 802 Ca -0.10 -1.63 -0.19 0.00 0.00 0.00 0.00 53.44 51.51 3dxj n ALA 802 Cb 0.57 -1.19 0.10 0.00 0.00 0.00 0.00 19.45 18.93 3dxj n ALA 802 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dxj n GLY 803 N -0.03 0.72 0.57 0.00 0.00 -1.26 -4.84 105.19 100.35 3dxj n GLY 803 Ca 0.29 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 44.28 3dxj n GLY 803 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3dxj n LEU 804 N 0.00 1.28 0.00 0.99 4.77 -1.26 -4.69 117.00 118.09 3dxj n LEU 804 Ca 0.14 -0.64 0.00 0.00 -0.03 0.00 0.00 56.01 55.48 3dxj n LEU 804 Cb 0.50 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3dxj n LEU 804 CO 0.33 0.29 0.00 -1.84 -1.33 0.00 0.00 177.39 174.84 3dxj n GLU 805 N 0.07 0.00 -3.89 3.23 0.28 -1.26 -4.51 120.64 114.56 3dxj n GLU 805 Ca 0.00 0.00 -0.25 0.00 -0.16 0.00 0.00 57.16 56.75 3dxj n GLU 805 Cb 0.29 -1.18 -0.01 0.00 1.43 0.00 0.00 31.44 31.97 3dxj n GLU 805 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 3dxj n PHE 806 N -2.00 -1.71 0.02 -1.84 3.01 -1.26 0.10 117.46 113.77 3dxj n PHE 806 Ca 0.00 0.74 -0.00 0.00 1.01 0.00 0.00 57.45 59.20 3dxj n PHE 806 Cb 0.00 -3.85 -0.09 0.00 -0.01 0.00 0.00 39.48 35.53 3dxj n PHE 806 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3dxj n ALA 807 N -4.36 1.95 0.00 4.37 0.00 -1.26 -4.24 120.51 116.97 3dxj n ALA 807 Ca -0.30 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.54 3dxj n ALA 807 Cb 0.68 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 19.24 3dxj n ALA 807 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3dxj n THR 808 N -2.84 0.00 -0.65 0.00 -2.24 -1.26 -5.02 114.28 102.27 3dxj n THR 808 Ca -0.11 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.45 3dxj n THR 808 Cb 0.85 -0.00 0.01 0.00 -2.10 0.00 0.00 70.33 69.09 3dxj n THR 808 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3dxj n PRO 809 N -1.48 0.00 -0.04 -0.78 -0.02 -1.26 -5.00 135.00 126.42 3dxj n PRO 809 Ca 0.00 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.38 3dxj n PRO 809 Cb 0.00 -0.57 -0.03 0.00 -0.02 0.00 0.00 33.50 32.88 3dxj n PRO 809 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3dxj n GLU 810 N 1.13 0.26 0.00 -0.52 0.28 -1.26 -4.75 120.64 115.77 3dxj n GLU 810 Ca 0.02 0.11 0.00 0.00 -0.16 0.00 0.00 57.16 57.13 3dxj n GLU 810 Cb 0.29 -0.94 0.00 0.00 1.43 0.00 0.00 31.44 32.22 3dxj n GLU 810 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3dxj n GLU 811 N -3.73 0.00 -0.01 3.44 1.02 -1.26 -1.15 120.64 118.96 3dxj n GLU 811 Ca -0.17 0.03 -0.12 0.00 -0.02 0.00 0.00 57.16 56.87 3dxj n GLU 811 Cb 0.49 -1.77 0.00 0.00 -0.02 0.00 0.00 31.44 30.14 3dxj n GLU 811 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3dxj h ALA 812 N 0.21 0.54 -0.48 0.62 0.00 -1.90 2.64 119.26 120.89 3dxj h ALA 812 Ca 0.00 -0.55 0.17 0.00 0.00 0.00 0.00 54.91 54.53 3dxj h ALA 812 Cb 0.55 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 3dxj h ALA 812 CO 0.00 0.70 0.30 1.28 0.00 0.00 0.00 179.25 181.53 3dxj n LEU 813 N -3.94 0.09 0.13 0.00 4.77 -0.30 -3.11 117.00 114.64 3dxj n LEU 813 Ca -0.05 0.53 0.00 0.00 -0.03 0.00 0.00 56.01 56.47 3dxj n LEU 813 Cb 0.67 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 3dxj n LEU 813 CO 0.49 -0.58 0.00 0.00 -1.33 0.00 0.00 177.39 175.97 3dxj n ALA 814 N -2.61 0.23 -0.31 -1.18 0.00 -1.18 -4.88 120.51 110.57 3dxj n ALA 814 Ca 0.15 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.54 3dxj n ALA 814 Cb 0.56 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.99 3dxj n ALA 814 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dxj n ALA 815 N -3.02 -0.29 -0.04 0.00 0.00 0.25 0.22 120.51 117.62 3dxj n ALA 815 Ca 0.00 0.73 -0.12 0.00 0.00 0.00 0.00 53.44 54.05 3dxj n ALA 815 Cb 0.00 -0.24 -0.06 0.00 0.00 0.00 0.00 19.45 19.16 3dxj n ALA 815 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3dxj h HIS 816 N 0.00 0.27 -0.92 0.00 3.86 0.41 -1.45 115.15 117.31 3dxj h HIS 816 Ca 0.20 -0.04 0.16 0.00 -1.16 0.00 0.00 60.37 59.53 3dxj h HIS 816 Cb 0.40 -0.07 -0.08 0.00 1.06 0.00 0.00 27.41 28.72 3dxj h HIS 816 CO -0.74 0.43 0.59 1.49 0.86 0.00 0.00 177.93 180.55 3dxj h GLU 817 N 0.03 0.68 0.27 2.45 4.81 0.81 0.76 114.58 124.39 3dxj h GLU 817 Ca 0.05 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3dxj h GLU 817 Cb 0.30 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 3dxj h GLU 817 CO 0.00 0.45 -0.41 0.00 -0.73 0.00 0.00 179.01 178.32 3dxj h ARG 818 N 0.70 -0.69 -0.63 1.92 3.08 0.33 0.29 114.38 119.37 3dxj h ARG 818 Ca 0.48 0.05 0.12 0.00 0.07 0.00 0.00 59.98 60.69 3dxj h ARG 818 Cb 0.78 0.16 -0.12 0.00 0.08 0.00 0.00 29.97 30.86 3dxj h ARG 818 CO -0.23 -0.46 -0.24 0.78 -1.07 0.00 0.00 179.97 178.75 3dxj h GLY 819 N -0.72 0.23 -0.01 0.04 0.00 0.67 2.62 103.07 105.90 3dxj h GLY 819 Ca -0.03 0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.61 3dxj h GLY 819 CO -0.13 -0.24 -0.03 -2.09 0.00 0.00 0.00 176.54 174.05 3dxj h GLU 820 N -0.07 -0.03 -0.77 4.80 4.22 0.13 0.18 114.58 123.03 3dxj h GLU 820 Ca 0.28 0.00 0.20 0.00 0.08 0.00 0.00 59.36 59.92 3dxj h GLU 820 Cb 0.52 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.74 3dxj h GLU 820 CO -0.69 -0.02 0.54 0.28 -2.18 0.00 0.00 179.01 176.94 3dxj h VAL 821 N -0.03 0.68 0.00 0.32 2.07 0.53 0.40 116.25 120.22 3dxj h VAL 821 Ca 0.00 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.46 3dxj h VAL 821 Cb 0.03 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 3dxj h VAL 821 CO -0.02 0.03 0.00 0.00 0.02 0.00 0.00 177.57 177.60 3dxj n ALA 822 N -2.61 2.40 -3.73 1.67 0.00 0.87 -4.69 120.51 114.42 3dxj n ALA 822 Ca 0.16 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.37 3dxj n ALA 822 Cb 0.72 -1.07 0.03 0.00 0.00 0.00 0.00 19.45 19.13 3dxj n ALA 822 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3dxj n LEU 823 N 0.89 -3.03 0.00 0.00 7.94 0.12 -4.89 117.00 118.03 3dxj n LEU 823 Ca 0.00 -0.81 0.00 0.00 -1.11 0.00 0.00 56.01 54.09 3dxj n LEU 823 Cb 0.34 -2.66 0.00 0.00 0.53 0.00 0.00 43.42 41.63 3dxj n LEU 823 CO 0.00 0.42 0.00 0.59 -1.11 0.00 0.00 177.39 177.29 3dxj n ASN 824 N -3.02 0.00 -4.72 1.96 3.02 0.20 -4.99 115.26 107.72 3dxj n ASN 824 Ca -0.24 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 53.89 3dxj n ASN 824 Cb 0.65 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.79 3dxj n ASN 824 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dxj s ALA 825 N -2.00 3.44 0.36 5.41 0.00 -1.25 -4.88 121.76 122.84 3dxj s ALA 825 Ca 0.00 0.91 -0.25 0.00 0.00 0.00 0.00 51.96 52.62 3dxj s ALA 825 Cb 0.00 -3.46 -0.09 0.00 0.00 0.00 0.00 23.12 19.57 3dxj s ALA 825 CO 0.00 -0.46 1.01 -2.14 0.00 0.00 0.00 175.76 174.16 3dxj s PRO 826 N 0.91 4.37 0.33 0.00 0.02 -1.26 -4.49 135.00 134.89 3dxj s PRO 826 Ca 0.59 1.44 0.10 0.00 0.02 0.00 0.00 61.00 63.15 3dxj s PRO 826 Cb -0.31 -2.68 1.01 0.00 0.02 0.00 0.00 34.50 32.54 3dxj s PRO 826 CO 0.30 0.06 1.58 0.82 -0.33 0.00 0.00 177.00 179.43 3dxj h ILE 827 N 2.42 0.02 -3.01 2.83 2.04 -1.95 -3.12 117.51 116.73 3dxj h ILE 827 Ca -0.48 -0.00 -0.62 0.00 1.00 0.00 0.00 64.86 64.76 3dxj h ILE 827 Cb 1.20 0.00 -0.41 0.00 -0.74 0.00 0.00 36.82 36.88 3dxj h ILE 827 CO 0.64 0.00 -0.66 -1.59 0.00 0.00 0.00 178.15 176.54 3dxj s LYS 828 N -5.80 2.05 0.00 2.37 0.00 -1.26 -0.22 119.74 116.88 3dxj s LYS 828 Ca -0.11 -2.94 0.00 0.00 0.00 0.00 0.00 55.97 52.92 3dxj s LYS 828 Cb 0.31 -3.01 0.00 0.00 0.00 0.00 0.00 37.83 35.13 3dxj s LYS 828 CO 0.78 -1.26 0.00 1.33 0.00 0.00 0.00 175.35 176.20 3dxj n VAL 829 N 2.41 0.00 -3.21 1.79 0.24 -1.18 -3.67 118.33 114.71 3dxj n VAL 829 Ca 0.18 0.00 -0.44 0.00 -2.04 0.00 0.00 64.34 62.04 3dxj n VAL 829 Cb 0.36 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.67 3dxj n VAL 829 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3dxj s ALA 830 N -2.00 3.41 0.00 2.33 0.00 -0.47 -4.60 121.76 120.43 3dxj s ALA 830 Ca 0.00 -1.72 0.00 0.00 0.00 0.00 0.00 51.96 50.24 3dxj s ALA 830 Cb 0.00 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.85 3dxj s ALA 830 CO 0.00 -1.90 0.00 0.41 0.00 0.00 0.00 175.76 174.27 3dxj n GLY 831 N 5.16 3.49 2.14 0.00 0.00 -0.85 -3.65 105.19 111.47 3dxj n GLY 831 Ca -0.07 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.55 3dxj n GLY 831 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3dxj n ARG 832 N 0.00 0.00 0.00 1.61 0.63 0.11 -4.76 116.66 114.26 3dxj n ARG 832 Ca 0.00 0.00 0.07 0.00 -0.92 0.00 0.00 57.85 57.00 3dxj n ARG 832 Cb 0.00 0.00 0.35 0.00 0.45 0.00 0.00 32.46 33.26 3dxj n ARG 832 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 3dxj n GLU 833 N -3.10 0.09 -3.86 -0.14 4.71 -1.25 -4.80 120.64 112.30 3dxj n GLU 833 Ca 0.00 0.20 -0.08 0.00 -0.01 0.00 0.00 57.16 57.27 3dxj n GLU 833 Cb 0.00 -1.50 -0.01 0.00 -1.01 0.00 0.00 31.44 28.92 3dxj n GLU 833 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 3dxj s THR 834 N -2.82 0.00 -0.09 2.62 -4.23 -1.26 -4.99 115.64 104.87 3dxj s THR 834 Ca 0.10 -1.03 -0.30 0.00 -1.18 0.00 0.00 61.69 59.28 3dxj s THR 834 Cb 0.10 -2.20 0.11 0.00 1.34 0.00 0.00 72.50 71.86 3dxj s THR 834 CO 0.26 0.00 0.94 -0.55 -0.54 0.00 0.00 174.62 174.72 3dxj s SER 835 N -2.96 -0.38 0.00 3.99 0.15 -1.26 -2.01 113.70 111.23 3dxj s SER 835 Ca 0.13 0.26 0.00 0.00 0.70 0.00 0.00 55.95 57.04 3dxj s SER 835 Cb -0.05 0.35 0.00 0.00 -1.71 0.00 0.00 66.02 64.60 3dxj s SER 835 CO 0.08 -0.46 0.00 0.52 1.20 0.00 0.00 173.24 174.58 3dxj n VAL 836 N 0.36 0.00 -0.45 4.45 0.31 -0.90 -0.59 118.33 121.50 3dxj n VAL 836 Ca -0.10 0.04 0.41 0.00 -0.01 0.00 0.00 64.34 64.68 3dxj n VAL 836 Cb 0.59 -0.10 0.66 0.00 -0.91 0.00 0.00 33.84 34.08 3dxj n VAL 836 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3dxj h GLY 837 N 0.00 0.00 1.64 2.92 0.00 -0.86 0.41 103.07 107.18 3dxj h GLY 837 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3dxj h GLY 837 CO 0.00 0.00 0.10 0.54 0.00 0.00 0.00 176.54 177.18 3dxj n ARG 838 N -3.66 0.03 0.00 4.80 1.74 0.24 -2.12 116.66 117.69 3dxj n ARG 838 Ca 0.33 0.46 0.00 0.00 -0.77 0.00 0.00 57.85 57.87 3dxj n ARG 838 Cb 1.72 -1.71 0.00 0.00 -1.02 0.00 0.00 32.46 31.45 3dxj n ARG 838 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3dxj n LEU 839 N -1.61 0.18 -0.31 0.55 4.77 0.14 -4.31 117.00 116.41 3dxj n LEU 839 Ca -0.00 0.00 0.34 0.00 -0.03 0.00 0.00 56.01 56.31 3dxj n LEU 839 Cb 0.11 0.00 0.73 0.00 -2.33 0.00 0.00 43.42 41.93 3dxj n LEU 839 CO 0.02 -0.16 1.31 0.50 -1.33 0.00 0.00 177.39 177.73 3dxj h LYS 840 N 0.00 0.04 -4.84 3.23 3.64 -1.43 -3.34 116.57 113.86 3dxj h LYS 840 Ca 0.00 -0.00 -0.63 0.00 -1.27 0.00 0.00 60.65 58.74 3dxj h LYS 840 Cb 0.57 -0.01 -0.36 0.00 -0.41 0.00 0.00 32.23 32.02 3dxj h LYS 840 CO 0.00 0.02 -0.84 0.71 -2.27 0.00 0.00 179.45 177.07 3dxj s TYR 841 N -5.00 2.48 -0.13 1.91 1.51 -0.90 -5.04 117.35 112.18 3dxj s TYR 841 Ca -0.05 -1.46 -0.02 0.00 -1.01 0.00 0.00 57.07 54.52 3dxj s TYR 841 Cb 0.23 -1.75 0.04 0.00 -0.11 0.00 0.00 41.96 40.37 3dxj s TYR 841 CO 0.80 -0.74 0.02 0.14 -1.11 0.00 0.00 175.55 174.67 3dxj s VAL 842 N 1.38 0.39 -0.25 0.71 -7.23 -1.25 -2.55 120.40 111.61 3dxj s VAL 842 Ca 0.04 -0.18 -0.05 0.00 -1.81 0.00 0.00 61.98 59.98 3dxj s VAL 842 Cb -0.13 -0.73 -0.01 0.00 0.56 0.00 0.00 36.38 36.07 3dxj s VAL 842 CO -0.11 0.02 0.02 -0.36 -0.31 0.00 0.00 175.10 174.35 3dxj s PHE 843 N 1.94 3.05 0.23 2.82 0.08 0.62 -4.97 117.98 121.75 3dxj s PHE 843 Ca 0.02 -0.85 -0.07 0.00 0.12 0.00 0.00 56.93 56.16 3dxj s PHE 843 Cb -0.15 -2.18 0.26 0.00 -0.57 0.00 0.00 43.02 40.39 3dxj s PHE 843 CO -0.07 -0.51 1.87 0.00 -0.10 0.00 0.00 175.22 176.41 3dxj h ALA 844 N 8.17 1.11 -1.64 5.36 0.00 -1.88 -0.02 119.26 130.35 3dxj h ALA 844 Ca -0.38 -0.03 -0.60 0.00 0.00 0.00 0.00 54.91 53.90 3dxj h ALA 844 Cb 1.15 -0.27 -0.11 0.00 0.00 0.00 0.00 17.79 18.56 3dxj h ALA 844 CO 0.59 0.35 -0.56 -0.80 0.00 0.00 0.00 179.25 178.83 3dxj s ASN 845 N -5.84 4.10 -0.01 0.00 0.01 -1.26 -4.22 114.94 107.72 3dxj s ASN 845 Ca -0.13 -1.24 -0.01 0.00 -0.71 0.00 0.00 52.86 50.77 3dxj s ASN 845 Cb 0.17 -0.43 -0.01 0.00 0.41 0.00 0.00 41.25 41.39 3dxj s ASN 845 CO 0.79 -0.48 0.22 -0.65 -1.51 0.00 0.00 177.10 175.47 3dxj h PRO 846 N 1.64 -0.05 -0.98 -0.60 0.11 -1.85 -3.19 132.00 127.08 3dxj h PRO 846 Ca -0.43 0.00 0.32 0.00 0.11 0.00 0.00 66.00 66.00 3dxj h PRO 846 Cb 1.25 0.01 -0.18 0.00 0.11 0.00 0.00 31.00 32.19 3dxj h PRO 846 CO 0.76 -0.03 0.21 -0.40 -0.21 0.00 0.00 178.00 178.33 3dxj n ASP 847 N -2.51 0.06 -0.24 -2.05 5.68 -1.26 0.17 116.55 116.40 3dxj n ASP 847 Ca -0.01 1.65 -0.08 0.00 -0.50 0.00 0.00 54.79 55.85 3dxj n ASP 847 Cb 0.02 -0.68 -0.04 0.00 -1.14 0.00 0.00 41.12 39.28 3dxj n ASP 847 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 3dxj h GLU 848 N 0.00 -0.19 -0.61 0.11 4.81 -1.97 0.17 114.58 116.90 3dxj h GLU 848 Ca 0.68 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 60.00 3dxj h GLU 848 Cb 1.59 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 30.95 3dxj h GLU 848 CO -0.86 -0.13 0.29 0.00 -0.73 0.00 0.00 179.01 177.58 3dxj h ALA 849 N 0.62 0.81 -0.25 2.92 0.00 0.17 -2.85 119.26 120.67 3dxj h ALA 849 Ca 0.18 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.20 3dxj h ALA 849 Cb 0.55 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.23 3dxj h ALA 849 CO -0.73 -0.09 -0.31 -0.07 0.00 0.00 0.00 179.25 178.05 3dxj h LEU 850 N 0.53 -1.00 -0.92 0.00 3.38 -0.14 0.82 115.31 117.98 3dxj h LEU 850 Ca 0.29 0.16 0.26 0.00 0.09 0.00 0.00 57.88 58.68 3dxj h LEU 850 Cb 0.27 0.45 -0.14 0.00 0.09 0.00 0.00 40.66 41.33 3dxj h LEU 850 CO -0.23 -0.33 0.36 -0.07 0.09 0.00 0.00 178.44 178.26 3dxj h LEU 851 N -0.32 0.21 0.01 1.67 3.38 -1.13 0.68 115.31 119.82 3dxj h LEU 851 Ca 0.13 0.19 0.01 0.00 0.09 0.00 0.00 57.88 58.30 3dxj h LEU 851 Cb 0.53 0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.46 3dxj h LEU 851 CO -0.43 -0.12 -0.25 0.00 0.09 0.00 0.00 178.44 177.73 3dxj h ALA 852 N 1.79 -0.72 -0.75 1.53 0.00 -0.79 0.29 119.26 120.61 3dxj h ALA 852 Ca 0.60 -0.04 0.15 0.00 0.00 0.00 0.00 54.91 55.62 3dxj h ALA 852 Cb 1.25 0.71 -0.05 0.00 0.00 0.00 0.00 17.79 19.70 3dxj h ALA 852 CO -0.62 -0.80 0.50 0.28 0.00 0.00 0.00 179.25 178.62 3dxj h VAL 853 N -0.33 0.79 -0.90 0.00 2.07 -0.51 0.76 116.25 118.14 3dxj h VAL 853 Ca 0.00 -0.14 0.09 0.00 0.82 0.00 0.00 66.70 67.47 3dxj h VAL 853 Cb 0.35 0.35 -0.07 0.00 -1.52 0.00 0.00 31.29 30.40 3dxj h VAL 853 CO -0.16 0.07 0.55 0.00 0.02 0.00 0.00 177.57 178.05 3dxj h ALA 854 N 1.65 1.28 -0.11 1.67 0.00 0.27 2.33 119.26 126.35 3dxj h ALA 854 Ca 0.37 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.29 3dxj h ALA 854 Cb 0.85 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3dxj h ALA 854 CO -0.12 0.23 0.00 0.72 0.00 0.00 0.00 179.25 180.08 3dxj n HIS 855 N -4.65 0.38 -3.48 0.00 8.25 0.26 -4.84 115.22 111.14 3dxj n HIS 855 Ca 0.15 -0.13 -0.24 0.00 -0.26 0.00 0.00 57.72 57.24 3dxj n HIS 855 Cb 0.25 -0.16 -0.02 0.00 1.12 0.00 0.00 29.99 31.18 3dxj n HIS 855 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3dxj n GLY 856 N 0.17 -0.47 0.11 -1.41 0.00 0.79 -4.79 105.19 99.59 3dxj n GLY 856 Ca 0.05 0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.26 3dxj n GLY 856 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3dxj n ILE 857 N -3.68 0.00 -3.75 -0.61 -5.35 -0.87 -4.92 119.36 100.18 3dxj n ILE 857 Ca 0.02 -0.06 -0.09 0.00 -0.27 0.00 0.00 62.75 62.35 3dxj n ILE 857 Cb 0.51 0.37 -0.04 0.00 -1.74 0.00 0.00 39.64 38.75 3dxj n ILE 857 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 3dxj s VAL 858 N -2.80 0.02 0.16 7.28 1.01 -1.26 -4.94 120.40 119.88 3dxj s VAL 858 Ca 0.16 -0.80 0.10 0.00 0.00 0.00 0.00 61.98 61.44 3dxj s VAL 858 Cb 0.18 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 3dxj s VAL 858 CO 0.64 -0.10 -0.17 -1.81 0.00 0.00 0.00 175.10 173.66 3dxj s ASP 859 N -2.88 3.89 0.61 3.32 1.01 -1.26 -4.36 116.67 116.99 3dxj s ASP 859 Ca 0.10 -0.66 0.33 0.00 0.71 0.00 0.00 52.55 53.03 3dxj s ASP 859 Cb -0.01 -0.52 1.96 0.00 1.01 0.00 0.00 42.92 45.35 3dxj s ASP 859 CO -0.02 0.13 2.28 -0.07 0.21 0.00 0.00 175.17 177.70 3dxj h LEU 860 N 3.26 0.00 -0.17 1.23 3.38 -1.92 0.33 115.31 121.42 3dxj h LEU 860 Ca -0.48 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.33 3dxj h LEU 860 Cb 1.19 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.92 3dxj h LEU 860 CO 0.50 0.00 -0.77 1.56 0.09 0.00 0.00 178.44 179.82 3dxj h GLN 861 N 0.00 0.00 -6.90 1.13 7.50 -1.81 -2.43 115.11 112.60 3dxj h GLN 861 Ca -0.00 0.00 -0.51 0.00 0.50 0.00 0.00 58.65 58.64 3dxj h GLN 861 Cb 0.01 0.00 0.05 0.00 0.05 0.00 0.00 27.48 27.59 3dxj h GLN 861 CO 0.00 0.77 0.53 -0.51 -1.50 0.00 0.00 178.83 178.12 3dxj s ASP 862 N -6.64 6.75 -0.23 1.46 -0.00 0.12 -2.81 116.67 115.32 3dxj s ASP 862 Ca 0.01 2.42 -0.18 0.00 -0.00 0.00 0.00 52.55 54.81 3dxj s ASP 862 Cb 0.10 -2.63 -0.03 0.00 -0.00 0.00 0.00 42.92 40.36 3dxj s ASP 862 CO 0.78 -0.52 0.50 -0.69 -0.00 0.00 0.00 175.17 175.24 3dxj s VAL 863 N -1.28 5.10 0.29 -1.27 1.01 -1.26 -3.84 120.40 119.15 3dxj s VAL 863 Ca 0.52 0.89 0.02 0.00 0.00 0.00 0.00 61.98 63.42 3dxj s VAL 863 Cb -0.33 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.18 3dxj s VAL 863 CO 0.43 0.14 0.13 -0.69 0.00 0.00 0.00 175.10 175.12 3dxj s VAL 864 N 1.90 0.43 -0.21 2.92 1.01 0.60 -3.71 120.40 123.34 3dxj s VAL 864 Ca 0.22 -2.00 -0.07 0.00 0.00 0.00 0.00 61.98 60.14 3dxj s VAL 864 Cb -0.15 -2.55 -0.03 0.00 0.00 0.00 0.00 36.38 33.64 3dxj s VAL 864 CO 0.09 0.00 0.05 -0.89 0.00 0.00 0.00 175.10 174.35 3dxj s THR 865 N -3.64 4.38 0.02 3.92 2.01 -1.06 -1.06 115.64 120.20 3dxj s THR 865 Ca 0.36 -0.17 0.00 0.00 0.31 0.00 0.00 61.69 62.19 3dxj s THR 865 Cb 0.06 -3.00 -0.02 0.00 0.01 0.00 0.00 72.50 69.55 3dxj s THR 865 CO 0.16 0.41 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.78 3dxj s VAL 866 N 0.96 0.13 -0.27 3.82 1.01 0.39 -0.28 120.40 126.16 3dxj s VAL 866 Ca 0.03 -0.85 -0.11 0.00 0.00 0.00 0.00 61.98 61.05 3dxj s VAL 866 Cb -0.14 -0.26 -0.05 0.00 0.00 0.00 0.00 36.38 35.93 3dxj s VAL 866 CO 0.02 -0.45 0.20 -0.60 0.00 0.00 0.00 175.10 174.27 3dxj s ARG 867 N -1.35 4.00 -0.06 2.72 3.52 -0.02 0.13 118.95 127.88 3dxj s ARG 867 Ca -0.14 -0.27 0.01 0.00 -0.13 0.00 0.00 55.73 55.19 3dxj s ARG 867 Cb -0.09 -3.62 0.02 0.00 -1.56 0.00 0.00 34.95 29.70 3dxj s ARG 867 CO -0.01 -0.11 -0.06 -0.47 -0.81 0.00 0.00 175.30 173.85 3dxj s TYR 868 N 1.55 0.94 -1.38 5.12 5.04 0.90 -4.29 117.35 125.24 3dxj s TYR 868 Ca 0.08 -0.32 -0.05 0.00 -2.44 0.00 0.00 57.07 54.34 3dxj s TYR 868 Cb -0.15 -0.82 0.03 0.00 0.35 0.00 0.00 41.96 41.37 3dxj s TYR 868 CO 0.09 -0.26 0.85 -1.33 -1.34 0.00 0.00 175.55 173.56 3dxj n MET 869 N 4.25 -5.46 -2.85 4.97 2.81 -1.26 -0.61 117.12 118.97 3dxj n MET 869 Ca -0.21 0.64 -0.22 0.00 -1.81 0.00 0.00 57.70 56.10 3dxj n MET 869 Cb 0.51 -5.38 0.02 0.00 -0.71 0.00 0.00 33.22 27.66 3dxj n MET 869 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3dxj n GLY 870 N -1.62 -0.51 2.90 3.03 0.00 -1.26 -4.98 105.19 102.74 3dxj n GLY 870 Ca -0.16 0.09 -0.28 0.00 0.00 0.00 0.00 46.02 45.67 3dxj n GLY 870 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3dxj s LYS 871 N -5.52 1.50 -0.95 1.61 2.20 0.22 -5.07 119.74 113.72 3dxj s LYS 871 Ca 0.22 -0.55 -0.24 0.00 -0.36 0.00 0.00 55.97 55.05 3dxj s LYS 871 Cb -0.10 -2.04 0.01 0.00 -1.51 0.00 0.00 37.83 34.19 3dxj s LYS 871 CO 0.27 -0.43 1.67 0.50 -0.36 0.00 0.00 175.35 177.00 3dxj s ARG 872 N 1.61 3.11 0.27 4.03 3.52 -1.26 -0.07 118.95 130.16 3dxj s ARG 872 Ca 0.01 -0.69 -0.03 0.00 -0.13 0.00 0.00 55.73 54.88 3dxj s ARG 872 Cb -0.15 -5.17 -0.05 0.00 -1.56 0.00 0.00 34.95 28.02 3dxj s ARG 872 CO -0.08 -2.72 0.51 -0.51 -0.81 0.00 0.00 175.30 171.70 3dxj s LEU 873 N 7.29 4.09 -0.38 -0.88 1.43 0.35 -4.92 118.68 125.67 3dxj s LEU 873 Ca 0.56 0.61 0.03 0.00 -1.03 0.00 0.00 54.13 54.30 3dxj s LEU 873 Cb -0.03 -3.42 0.11 0.00 0.03 0.00 0.00 46.19 42.87 3dxj s LEU 873 CO -0.04 -0.17 0.12 -1.61 0.23 0.00 0.00 176.35 174.88 3dxj s GLU 874 N -3.57 1.35 0.00 1.70 2.02 -1.26 -0.46 118.70 118.48 3dxj s GLU 874 Ca 0.42 -1.83 0.00 0.00 0.02 0.00 0.00 54.97 53.58 3dxj s GLU 874 Cb -0.11 -2.82 0.00 0.00 0.10 0.00 0.00 34.13 31.30 3dxj s GLU 874 CO 0.30 -1.01 0.00 2.41 0.02 0.00 0.00 175.26 176.98 3dxj n THR 875 N 4.11 0.00 -4.23 3.63 -1.04 -0.23 -4.94 114.28 111.59 3dxj n THR 875 Ca 0.03 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.91 3dxj n THR 875 Cb 0.39 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.80 3dxj n THR 875 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3dxj s SER 876 N 1.23 1.63 0.12 8.00 1.04 -1.26 0.22 113.70 124.68 3dxj s SER 876 Ca 0.00 -0.99 -0.31 0.00 0.48 0.00 0.00 55.95 55.13 3dxj s SER 876 Cb 0.00 0.01 -0.09 0.00 0.10 0.00 0.00 66.02 66.04 3dxj s SER 876 CO 0.00 -0.35 1.58 -0.65 0.98 0.00 0.00 173.24 174.80 3dxj h PRO 877 N 2.90 -0.59 -0.85 4.02 0.11 -1.65 -2.66 132.00 133.29 3dxj h PRO 877 Ca -0.36 0.04 0.08 0.00 0.11 0.00 0.00 66.00 65.87 3dxj h PRO 877 Cb 1.19 0.13 -0.11 0.00 0.11 0.00 0.00 31.00 32.32 3dxj h PRO 877 CO 0.63 -0.39 -0.57 0.78 -0.21 0.00 0.00 178.00 178.23 3dxj h GLY 878 N -0.61 -0.83 -0.92 -0.55 0.00 -1.55 0.59 103.07 99.20 3dxj h GLY 878 Ca 0.04 0.76 0.25 0.00 0.00 0.00 0.00 47.33 48.38 3dxj h GLY 878 CO -0.30 -0.00 -0.01 3.21 0.00 0.00 0.00 176.54 179.44 3dxj h ARG 879 N -0.10 0.02 0.64 4.80 2.47 -1.54 0.20 114.38 120.87 3dxj h ARG 879 Ca 0.15 -0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.83 3dxj h ARG 879 Cb 0.46 -0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.79 3dxj h ARG 879 CO -0.86 0.01 -0.31 0.82 0.56 0.00 0.00 179.97 180.19 3dxj h ILE 880 N 0.02 0.00 -0.73 2.04 1.08 0.26 -2.55 117.51 117.62 3dxj h ILE 880 Ca 0.57 -0.30 0.07 0.00 -0.39 0.00 0.00 64.86 64.80 3dxj h ILE 880 Cb 1.12 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 34.78 3dxj h ILE 880 CO -0.92 0.00 -0.43 -0.11 -0.69 0.00 0.00 178.15 176.00 3dxj n LEU 881 N -5.15 -0.78 -0.18 1.44 7.94 0.13 0.12 117.00 120.52 3dxj n LEU 881 Ca -0.11 1.42 -0.05 0.00 -1.11 0.00 0.00 56.01 56.17 3dxj n LEU 881 Cb 0.34 -0.23 -0.04 0.00 0.53 0.00 0.00 43.42 44.02 3dxj n LEU 881 CO 0.26 -1.12 0.46 0.33 -1.11 0.00 0.00 177.39 176.20 3dxj n PHE 882 N -4.76 -0.19 -0.33 1.96 7.35 -0.05 0.26 117.46 121.71 3dxj n PHE 882 Ca 0.01 0.53 -0.04 0.00 -0.76 0.00 0.00 57.45 57.19 3dxj n PHE 882 Cb 0.19 -0.51 0.00 0.00 0.35 0.00 0.00 39.48 39.51 3dxj n PHE 882 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3dxj h ALA 883 N -0.29 -0.06 -0.00 3.13 0.00 0.13 -0.53 119.26 121.64 3dxj h ALA 883 Ca 0.07 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3dxj h ALA 883 Cb 0.17 1.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 3dxj h ALA 883 CO -0.40 -0.72 -0.01 -0.09 0.00 0.00 0.00 179.25 178.03 3dxj h ARG 884 N -0.07 -0.01 -0.40 0.00 2.43 0.43 -0.92 114.38 115.83 3dxj h ARG 884 Ca 0.27 0.00 0.16 0.00 -0.81 0.00 0.00 59.98 59.60 3dxj h ARG 884 Cb 0.56 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.04 3dxj h ARG 884 CO -0.88 -0.01 0.18 -0.89 -1.51 0.00 0.00 179.97 176.86 3dxj n ILE 885 N -2.60 -0.17 0.00 1.20 5.41 0.14 -0.80 119.36 122.54 3dxj n ILE 885 Ca -0.00 0.82 0.00 0.00 1.00 0.00 0.00 62.75 64.57 3dxj n ILE 885 Cb 0.01 -1.30 0.00 0.00 -0.71 0.00 0.00 39.64 37.64 3dxj n ILE 885 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 3dxj n VAL 886 N -3.98 0.00 -0.43 1.39 0.31 -0.40 -2.41 118.33 112.81 3dxj n VAL 886 Ca 0.14 0.90 0.36 0.00 -0.01 0.00 0.00 64.34 65.73 3dxj n VAL 886 Cb 0.47 -1.85 0.67 0.00 -0.91 0.00 0.00 33.84 32.22 3dxj n VAL 886 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3dxj h ALA 887 N -2.00 2.88 0.14 3.52 0.00 -0.68 0.51 119.26 123.64 3dxj h ALA 887 Ca 0.00 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3dxj h ALA 887 Cb 0.00 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3dxj h ALA 887 CO 0.00 -1.38 -0.22 0.93 0.00 0.00 0.00 179.25 178.58 3dxj h GLU 888 N 0.12 -0.36 -0.71 0.00 4.39 -1.02 0.81 114.58 117.81 3dxj h GLU 888 Ca 0.72 0.02 0.07 0.00 0.34 0.00 0.00 59.36 60.52 3dxj h GLU 888 Cb 2.43 0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 31.12 3dxj h GLU 888 CO -0.23 -0.24 0.47 0.00 -1.16 0.00 0.00 179.01 177.85 3dxj h ALA 889 N -1.28 1.73 -0.01 3.43 0.00 0.26 -2.05 119.26 121.34 3dxj h ALA 889 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3dxj h ALA 889 Cb 0.34 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3dxj h ALA 889 CO -0.07 0.16 -0.24 1.33 0.00 0.00 0.00 179.25 180.44 3dxj n VAL 890 N -4.48 0.00 -1.48 0.00 0.24 0.18 -4.60 118.33 108.18 3dxj n VAL 890 Ca 0.10 -0.09 -0.17 0.00 -2.04 0.00 0.00 64.34 62.15 3dxj n VAL 890 Cb 0.24 0.21 -0.07 0.00 -1.47 0.00 0.00 33.84 32.75 3dxj n VAL 890 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3dxj n GLU 891 N -0.86 -1.57 -3.47 7.34 -0.58 0.28 -4.90 120.64 116.87 3dxj n GLU 891 Ca 0.12 1.08 -0.27 0.00 -0.42 0.00 0.00 57.16 57.67 3dxj n GLU 891 Cb 0.33 -5.49 -0.12 0.00 -0.57 0.00 0.00 31.44 25.58 3dxj n GLU 891 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3dxj s ASP 892 N -2.61 2.89 0.47 1.62 -1.08 -0.87 -4.99 116.67 112.09 3dxj s ASP 892 Ca 0.00 -1.71 0.17 0.00 -0.52 0.00 0.00 52.55 50.49 3dxj s ASP 892 Cb 0.00 -0.21 1.15 0.00 -1.46 0.00 0.00 42.92 42.39 3dxj s ASP 892 CO 0.00 -0.36 1.99 -0.08 0.52 0.00 0.00 175.17 177.25 3dxj h GLU 893 N 7.60 0.26 0.00 4.34 4.81 -1.91 -2.44 114.58 127.23 3dxj h GLU 893 Ca -0.04 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 3dxj h GLU 893 Cb 1.00 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.32 3dxj h GLU 893 CO 0.32 0.17 0.00 1.63 -0.73 0.00 0.00 179.01 180.40 3dxj n LYS 894 N -4.45 0.00 -0.29 1.92 4.76 -1.26 -2.24 118.16 116.59 3dxj n LYS 894 Ca 0.09 0.00 0.29 0.00 -2.87 0.00 0.00 58.31 55.82 3dxj n LYS 894 Cb 0.43 -0.41 0.53 0.00 -1.84 0.00 0.00 35.03 33.74 3dxj n LYS 894 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3dxj n VAL 895 N 0.00 -0.37 -0.00 -0.18 0.31 -1.25 0.43 118.33 117.27 3dxj n VAL 895 Ca 0.00 1.81 -0.00 0.00 -0.01 0.00 0.00 64.34 66.14 3dxj n VAL 895 Cb 0.00 -2.94 -0.00 0.00 -0.91 0.00 0.00 33.84 29.98 3dxj n VAL 895 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3dxj h ALA 896 N 1.78 -0.32 -0.88 3.52 0.00 -1.51 0.49 119.26 122.33 3dxj h ALA 896 Ca 0.76 -0.00 0.18 0.00 0.00 0.00 0.00 54.91 55.85 3dxj h ALA 896 Cb 2.03 0.70 -0.07 0.00 0.00 0.00 0.00 17.79 20.46 3dxj h ALA 896 CO -0.68 -0.33 0.58 2.35 0.00 0.00 0.00 179.25 181.16 3dxj h TRP 897 N -0.01 0.63 0.00 0.00 7.01 0.44 0.71 115.95 124.73 3dxj h TRP 897 Ca 0.00 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.00 3dxj h TRP 897 Cb 0.02 -0.19 -0.00 0.00 -2.10 0.00 0.00 29.16 26.88 3dxj h TRP 897 CO -0.58 0.19 -0.08 0.93 -2.79 0.00 0.00 178.44 176.10 3dxj h GLU 898 N 0.50 0.00 -1.65 2.65 5.08 0.97 -3.06 114.58 119.06 3dxj h GLU 898 Ca 0.46 0.00 -0.68 0.00 -1.00 0.00 0.00 59.36 58.14 3dxj h GLU 898 Cb 1.00 0.00 -0.34 0.00 0.50 0.00 0.00 28.75 29.91 3dxj h GLU 898 CO -0.19 0.08 0.22 1.28 -1.00 0.00 0.00 179.01 179.40 3dxj n LEU 899 N -3.62 6.26 -4.05 1.33 4.77 0.14 -5.02 117.00 116.80 3dxj n LEU 899 Ca -0.02 -4.94 -0.13 0.00 -0.03 0.00 0.00 56.01 50.89 3dxj n LEU 899 Cb 0.20 -0.77 -0.12 0.00 -2.33 0.00 0.00 43.42 40.40 3dxj n LEU 899 CO 0.29 1.95 -0.40 -0.63 -1.33 0.00 0.00 177.39 177.27 3dxj s ILE 900 N -5.21 0.52 -0.68 -0.08 1.01 -1.16 -4.91 121.20 110.68 3dxj s ILE 900 Ca 0.51 -1.00 -0.02 0.00 0.00 0.00 0.00 60.65 60.14 3dxj s ILE 900 Cb 0.43 -0.58 0.29 0.00 0.01 0.00 0.00 42.46 42.61 3dxj s ILE 900 CO -0.27 -0.34 2.22 0.00 0.00 0.00 0.00 174.94 176.55 3dxj n GLN 901 N 1.59 2.59 0.14 2.79 1.13 -1.26 -4.81 117.38 119.55 3dxj n GLN 901 Ca -0.22 -3.05 0.11 0.00 -1.94 0.00 0.00 57.00 51.91 3dxj n GLN 901 Cb 0.55 -2.20 0.24 0.00 0.11 0.00 0.00 30.24 28.94 3dxj n GLN 901 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 3dxj h LEU 902 N 3.03 0.00 -4.26 1.08 5.85 -1.95 -1.60 115.31 117.46 3dxj h LEU 902 Ca 0.51 0.00 -0.66 0.00 0.84 0.00 0.00 57.88 58.58 3dxj h LEU 902 Cb 0.39 0.00 -0.34 0.00 0.37 0.00 0.00 40.66 41.08 3dxj h LEU 902 CO 1.28 0.00 0.26 0.47 -0.34 0.00 0.00 178.44 180.11 3dxj n ASP 903 N -2.83 6.53 -3.55 1.25 8.00 -1.26 -4.95 116.55 119.74 3dxj n ASP 903 Ca 0.08 -3.78 -0.12 0.00 0.71 0.00 0.00 54.79 51.68 3dxj n ASP 903 Cb 1.12 -0.77 -0.05 0.00 -0.02 0.00 0.00 41.12 41.41 3dxj n ASP 903 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3dxj s VAL 904 N -4.94 0.00 0.66 2.53 -7.23 -0.60 -5.15 120.40 105.66 3dxj s VAL 904 Ca 0.56 0.00 -0.17 0.00 -1.81 0.00 0.00 61.98 60.56 3dxj s VAL 904 Cb 0.45 -1.00 0.00 0.00 0.56 0.00 0.00 36.38 36.39 3dxj s VAL 904 CO -0.12 0.00 1.19 -2.84 -0.31 0.00 0.00 175.10 173.01 3dxj s PRO 905 N -1.40 2.62 0.13 4.82 0.02 -1.20 -4.93 135.00 135.07 3dxj s PRO 905 Ca -0.03 1.71 -0.20 0.00 0.02 0.00 0.00 61.00 62.50 3dxj s PRO 905 Cb -0.00 -1.90 -0.07 0.00 0.02 0.00 0.00 34.50 32.55 3dxj s PRO 905 CO 0.02 -1.45 0.64 -0.65 -0.33 0.00 0.00 177.00 175.22 3dxj s GLN 906 N -3.70 4.24 0.36 5.54 -1.52 -1.26 -4.96 119.66 118.36 3dxj s GLN 906 Ca 0.74 0.80 -0.14 0.00 -1.95 0.00 0.00 55.36 54.81 3dxj s GLN 906 Cb -0.28 -3.11 0.04 0.00 -0.22 0.00 0.00 33.01 29.44 3dxj s GLN 906 CO 0.39 0.55 0.72 -1.83 -0.25 0.00 0.00 175.29 174.88 3dxj s GLU 907 N -1.45 2.12 0.00 2.91 4.04 -1.26 -3.41 118.70 121.65 3dxj s GLU 907 Ca 0.35 -1.43 0.00 0.00 0.04 0.00 0.00 54.97 53.93 3dxj s GLU 907 Cb -0.19 0.59 0.00 0.00 0.02 0.00 0.00 34.13 34.55 3dxj s GLU 907 CO 0.21 -0.97 0.01 1.17 -1.84 0.00 0.00 175.26 173.84 3dxj n LYS 908 N -0.52 0.00 -0.02 -4.83 4.81 -1.15 0.02 118.16 116.46 3dxj n LYS 908 Ca -0.06 0.01 -0.02 0.00 -0.87 0.00 0.00 58.31 57.37 3dxj n LYS 908 Cb 0.60 -0.08 -0.01 0.00 0.02 0.00 0.00 35.03 35.55 3dxj n LYS 908 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 3dxj h ASN 909 N 0.00 -0.26 -0.68 3.14 2.35 -1.97 0.53 115.58 118.69 3dxj h ASN 909 Ca 0.00 0.03 0.11 0.00 -0.55 0.00 0.00 56.30 55.89 3dxj h ASN 909 Cb 0.00 0.11 -0.11 0.00 0.05 0.00 0.00 38.32 38.36 3dxj h ASN 909 CO 0.00 -0.06 -0.25 -1.54 -1.65 0.00 0.00 177.43 173.93 3dxj n SER 910 N -3.08 -0.41 0.27 5.81 3.41 -0.90 0.17 113.62 118.89 3dxj n SER 910 Ca -0.00 1.19 -0.11 0.00 -0.26 0.00 0.00 58.87 59.69 3dxj n SER 910 Cb 0.05 -0.29 -0.05 0.00 -0.26 0.00 0.00 64.21 63.66 3dxj n SER 910 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3dxj h LEU 911 N 0.00 -0.59 -0.09 1.04 3.38 0.61 0.15 115.31 119.81 3dxj h LEU 911 Ca 0.25 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.25 3dxj h LEU 911 Cb 0.42 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 3dxj h LEU 911 CO -0.68 -0.42 -0.05 1.17 0.09 0.00 0.00 178.44 178.55 3dxj n LYS 912 N -3.86 -0.04 -0.22 1.13 4.81 0.44 0.14 118.16 120.56 3dxj n LYS 912 Ca -0.09 0.70 -0.02 0.00 -0.87 0.00 0.00 58.31 58.03 3dxj n LYS 912 Cb 0.27 -1.05 0.04 0.00 0.02 0.00 0.00 35.03 34.32 3dxj n LYS 912 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 3dxj h ASP 913 N 0.00 -0.90 -0.49 3.14 3.32 -0.07 0.86 116.42 122.29 3dxj h ASP 913 Ca 0.01 0.22 0.10 0.00 0.02 0.00 0.00 57.03 57.38 3dxj h ASP 913 Cb 0.04 0.50 -0.10 0.00 0.22 0.00 0.00 39.33 39.99 3dxj h ASP 913 CO -0.09 -0.27 -0.21 0.25 -1.72 0.00 0.00 179.24 177.21 3dxj h LEU 914 N -0.09 -0.73 0.18 1.55 5.85 0.42 -1.64 115.31 120.86 3dxj h LEU 914 Ca 0.28 0.18 0.00 0.00 0.84 0.00 0.00 57.88 59.18 3dxj h LEU 914 Cb 0.53 0.40 -0.03 0.00 0.37 0.00 0.00 40.66 41.94 3dxj h LEU 914 CO -0.69 -0.24 -0.36 0.58 -0.34 0.00 0.00 178.44 177.39 3dxj h VAL 915 N -0.10 0.00 -0.91 1.05 2.07 0.78 -0.56 116.25 118.59 3dxj h VAL 915 Ca 0.23 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.84 3dxj h VAL 915 Cb 0.46 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.11 3dxj h VAL 915 CO -0.56 0.00 -0.51 0.00 0.02 0.00 0.00 177.57 176.52 3dxj n TYR 916 N -4.52 -0.34 -0.12 1.57 9.36 0.06 0.82 117.16 124.00 3dxj n TYR 916 Ca -0.07 1.13 -0.12 0.00 3.32 0.00 0.00 57.90 62.16 3dxj n TYR 916 Cb 0.30 -0.61 -0.08 0.00 -0.63 0.00 0.00 39.34 38.32 3dxj n TYR 916 CO 0.00 0.00 0.00 1.96 0.22 0.00 0.00 176.86 179.04 3dxj h GLN 917 N 0.00 -0.38 -0.05 2.98 1.08 -1.04 0.32 115.11 118.02 3dxj h GLN 917 Ca 0.17 0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.40 3dxj h GLN 917 Cb 0.40 0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.91 3dxj h GLN 917 CO -0.86 -0.25 -0.03 0.00 -0.95 0.00 0.00 178.83 176.74 3dxj n ALA 918 N -3.07 -0.03 -0.33 3.87 0.00 0.24 0.12 120.51 121.31 3dxj n ALA 918 Ca -0.03 0.05 0.22 0.00 0.00 0.00 0.00 53.44 53.68 3dxj n ALA 918 Cb 0.35 0.45 0.42 0.00 0.00 0.00 0.00 19.45 20.67 3dxj n ALA 918 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3dxj h PHE 919 N 0.00 0.43 0.00 0.00 3.04 0.85 0.81 116.94 122.07 3dxj h PHE 919 Ca 0.01 0.05 0.00 0.00 3.98 0.00 0.00 57.97 62.01 3dxj h PHE 919 Cb 0.02 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 38.51 3dxj h PHE 919 CO -0.92 -0.39 0.00 1.28 -2.02 0.00 0.00 178.31 176.26 3dxj n LEU 920 N -5.32 1.31 -0.12 0.59 4.77 0.28 -4.20 117.00 114.30 3dxj n LEU 920 Ca 0.29 0.12 -0.00 0.00 -0.03 0.00 0.00 56.01 56.39 3dxj n LEU 920 Cb 0.96 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 42.06 3dxj n LEU 920 CO -0.00 0.00 0.18 0.54 -1.33 0.00 0.00 177.39 176.78 3dxj n ARG 921 N -0.34 -0.08 -4.45 3.23 5.12 0.32 -4.31 116.66 116.15 3dxj n ARG 921 Ca 0.00 0.48 -0.24 0.00 -1.93 0.00 0.00 57.85 56.17 3dxj n ARG 921 Cb 0.00 -0.72 -0.10 0.00 -1.16 0.00 0.00 32.46 30.48 3dxj n ARG 921 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3dxj s LEU 922 N -8.92 2.56 0.96 0.55 1.43 0.26 -5.07 118.68 110.45 3dxj s LEU 922 Ca -0.04 -1.00 -0.24 0.00 -1.03 0.00 0.00 54.13 51.82 3dxj s LEU 922 Cb 0.06 -1.07 -0.14 0.00 0.03 0.00 0.00 46.19 45.07 3dxj s LEU 922 CO 0.22 0.03 -1.22 0.61 0.23 0.00 0.00 176.35 176.22 3dxj n GLY 923 N -0.44 -2.73 0.11 -3.19 0.00 -1.26 -4.11 105.19 93.57 3dxj n GLY 923 Ca -0.07 -0.17 -0.17 0.00 0.00 0.00 0.00 46.02 45.61 3dxj n GLY 923 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dxj h MET 924 N -1.24 0.24 -0.39 1.61 -0.00 -1.90 -3.24 114.93 110.01 3dxj h MET 924 Ca -0.36 -0.31 0.07 0.00 -0.00 0.00 0.00 59.70 59.10 3dxj h MET 924 Cb 1.23 0.10 -0.06 0.00 -0.00 0.00 0.00 31.60 32.87 3dxj h MET 924 CO 0.20 1.06 -0.00 1.05 -0.00 0.00 0.00 176.91 179.22 3dxj h GLU 925 N -0.43 0.10 -0.89 -0.10 4.11 -1.91 -1.06 114.58 114.40 3dxj h GLU 925 Ca -0.07 -0.01 0.01 0.00 0.07 0.00 0.00 59.36 59.37 3dxj h GLU 925 Cb 1.25 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.43 3dxj h GLU 925 CO 0.09 0.07 0.59 -0.22 0.07 0.00 0.00 179.01 179.60 3dxj h LYS 926 N 0.10 1.16 -0.46 1.06 3.64 -1.93 -1.58 116.57 118.56 3dxj h LYS 926 Ca 0.19 -0.07 0.09 0.00 -1.27 0.00 0.00 60.65 59.59 3dxj h LYS 926 Cb 0.27 -0.26 -0.08 0.00 -0.41 0.00 0.00 32.23 31.74 3dxj h LYS 926 CO -0.32 0.77 -0.08 1.15 -2.27 0.00 0.00 179.45 178.70 3dxj h THR 927 N 1.19 0.57 -0.50 1.00 2.02 -1.24 0.03 112.91 115.98 3dxj h THR 927 Ca 0.33 -0.01 0.10 0.00 0.77 0.00 0.00 66.41 67.60 3dxj h THR 927 Cb -0.12 0.53 -0.10 0.00 -1.74 0.00 0.00 68.15 66.72 3dxj h THR 927 CO -0.08 0.01 -0.25 0.00 0.37 0.00 0.00 175.52 175.57 3dxj h ALA 928 N 1.45 0.09 -0.72 6.16 0.00 -0.62 0.35 119.26 125.97 3dxj h ALA 928 Ca 0.23 0.16 0.13 0.00 0.00 0.00 0.00 54.91 55.43 3dxj h ALA 928 Cb 0.35 0.59 -0.13 0.00 0.00 0.00 0.00 17.79 18.60 3dxj h ALA 928 CO -0.45 -0.59 -0.30 0.00 0.00 0.00 0.00 179.25 177.91 3dxj h ARG 929 N -0.13 -0.08 -0.10 0.00 3.08 -0.83 0.15 114.38 116.46 3dxj h ARG 929 Ca 0.23 0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.31 3dxj h ARG 929 Cb 0.49 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.51 3dxj h ARG 929 CO -0.58 -0.06 -0.46 1.25 -1.07 0.00 0.00 179.97 179.06 3dxj h LEU 930 N -0.09 -1.46 0.00 3.04 5.85 0.28 0.18 115.31 123.10 3dxj h LEU 930 Ca 0.29 0.17 0.00 0.00 0.84 0.00 0.00 57.88 59.19 3dxj h LEU 930 Cb 0.56 0.57 0.00 0.00 0.37 0.00 0.00 40.66 42.16 3dxj h LEU 930 CO -0.77 -0.41 0.00 0.18 -0.34 0.00 0.00 178.44 177.10 3dxj n LEU 931 N -4.99 0.00 -0.29 2.25 4.77 0.43 0.15 117.00 119.32 3dxj n LEU 931 Ca -0.05 0.88 0.02 0.00 -0.03 0.00 0.00 56.01 56.83 3dxj n LEU 931 Cb 0.32 -0.43 0.09 0.00 -2.33 0.00 0.00 43.42 41.07 3dxj n LEU 931 CO 0.07 -0.43 0.68 0.44 -1.33 0.00 0.00 177.39 176.82 3dxj h ASP 932 N 0.00 -0.86 -0.49 -1.43 3.32 -0.89 0.83 116.42 116.90 3dxj h ASP 932 Ca 0.00 0.25 0.07 0.00 0.02 0.00 0.00 57.03 57.38 3dxj h ASP 932 Cb 0.00 0.54 -0.10 0.00 0.22 0.00 0.00 39.33 40.00 3dxj h ASP 932 CO 0.00 -0.28 -0.47 0.00 -1.72 0.00 0.00 179.24 176.78 3dxj h ALA 933 N 1.71 -0.47 0.04 3.45 0.00 0.28 0.81 119.26 125.08 3dxj h ALA 933 Ca 0.38 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.37 3dxj h ALA 933 Cb 0.60 0.99 -0.04 0.00 0.00 0.00 0.00 17.79 19.34 3dxj h ALA 933 CO -0.85 -0.90 -0.39 -0.07 0.00 0.00 0.00 179.25 177.05 3dxj h LEU 934 N -0.30 -1.18 -0.66 0.00 3.38 0.43 -1.98 115.31 115.00 3dxj h LEU 934 Ca 0.14 0.13 0.06 0.00 0.09 0.00 0.00 57.88 58.30 3dxj h LEU 934 Cb 0.58 0.44 -0.08 0.00 0.09 0.00 0.00 40.66 41.69 3dxj h LEU 934 CO -0.64 -0.39 -0.39 1.17 0.09 0.00 0.00 178.44 178.28 3dxj n LYS 935 N -4.63 -0.29 0.00 1.13 4.81 0.23 0.62 118.16 120.02 3dxj n LYS 935 Ca -0.06 1.10 0.00 0.00 -0.87 0.00 0.00 58.31 58.49 3dxj n LYS 935 Cb 0.29 -1.63 0.00 0.00 0.02 0.00 0.00 35.03 33.72 3dxj n LYS 935 CO 0.00 0.00 0.00 0.98 1.17 0.00 0.00 177.40 179.55 3dxj n TYR 936 N -4.64 0.00 -0.09 5.64 -0.00 0.26 -1.52 117.16 116.82 3dxj n TYR 936 Ca 0.01 0.00 -0.06 0.00 -0.00 0.00 0.00 57.90 57.85 3dxj n TYR 936 Cb 0.17 -0.19 0.00 0.00 -0.00 0.00 0.00 39.34 39.32 3dxj n TYR 936 CO 0.00 0.00 0.00 1.88 -0.00 0.00 0.00 176.86 178.74 3dxj h TYR 937 N 0.00 -0.34 -0.96 2.98 -1.99 -0.82 -0.45 116.97 115.39 3dxj h TYR 937 Ca 0.00 0.03 0.27 0.00 2.00 0.00 0.00 58.73 61.03 3dxj h TYR 937 Cb 0.00 0.20 -0.17 0.00 2.00 0.00 0.00 36.73 38.76 3dxj h TYR 937 CO -0.27 -0.21 0.09 0.78 -0.00 0.00 0.00 178.16 178.54 3dxj h GLY 938 N -0.08 1.30 0.09 3.88 0.00 0.36 -0.98 103.07 107.63 3dxj h GLY 938 Ca 0.17 0.11 -0.00 0.00 0.00 0.00 0.00 47.33 47.60 3dxj h GLY 938 CO -0.38 -0.50 -0.04 0.74 0.00 0.00 0.00 176.54 176.35 3dxj h PHE 939 N 0.04 -0.11 -0.67 5.60 0.05 -0.04 -2.90 116.94 118.91 3dxj h PHE 939 Ca 0.60 -0.00 0.11 0.00 3.82 0.00 0.00 57.97 62.49 3dxj h PHE 939 Cb 1.25 0.04 -0.11 0.00 2.00 0.00 0.00 35.95 39.13 3dxj h PHE 939 CO -0.43 -0.07 -0.25 0.25 -0.18 0.00 0.00 178.31 177.63 3dxj n THR 940 N -2.48 -0.35 0.47 -1.55 -2.24 -0.54 -1.35 114.28 106.25 3dxj n THR 940 Ca -0.01 1.57 -0.19 0.00 -2.27 0.00 0.00 64.05 63.14 3dxj n THR 940 Cb 0.05 -2.09 -0.10 0.00 -2.10 0.00 0.00 70.33 66.09 3dxj n THR 940 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 3dxj h PHE 941 N 0.00 -1.24 -0.97 4.78 0.05 -1.30 -3.11 116.94 115.15 3dxj h PHE 941 Ca 0.24 -0.02 0.17 0.00 3.82 0.00 0.00 57.97 62.19 3dxj h PHE 941 Cb 0.41 0.43 -0.17 0.00 2.00 0.00 0.00 35.95 38.62 3dxj h PHE 941 CO -0.58 -0.73 -0.31 -1.13 -0.18 0.00 0.00 178.31 175.38 3dxj n SER 942 N -5.48 -0.49 0.01 2.17 3.41 -0.45 0.75 113.62 113.54 3dxj n SER 942 Ca -0.15 1.68 -0.09 0.00 -0.26 0.00 0.00 58.87 60.04 3dxj n SER 942 Cb 0.50 -0.45 -0.06 0.00 -0.26 0.00 0.00 64.21 63.94 3dxj n SER 942 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3dxj h THR 943 N 0.00 0.00 -0.06 6.66 2.02 -1.43 -1.43 112.91 118.67 3dxj h THR 943 Ca 0.40 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.57 3dxj h THR 943 Cb 0.64 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.05 3dxj h THR 943 CO -0.98 0.00 -0.03 0.71 0.37 0.00 0.00 175.52 175.59 3dxj h THR 944 N -0.38 1.06 0.00 3.16 1.35 -1.00 -3.29 112.91 113.81 3dxj h THR 944 Ca 0.01 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 3dxj h THR 944 Cb 0.43 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 67.90 3dxj h THR 944 CO -0.25 0.08 0.66 -1.54 -0.25 0.00 0.00 175.52 174.22 3dxj n SER 945 N -4.45 0.00 -3.70 5.36 3.41 0.23 -4.73 113.62 109.74 3dxj n SER 945 Ca -0.02 0.24 -0.21 0.00 -0.26 0.00 0.00 58.87 58.62 3dxj n SER 945 Cb 0.14 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.13 3dxj n SER 945 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dxj n GLY 946 N -1.13 -0.29 2.96 5.00 0.00 -1.24 -4.95 105.19 105.55 3dxj n GLY 946 Ca 0.00 0.12 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 3dxj n GLY 946 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3dxj s ILE 947 N -3.66 2.81 0.00 -0.61 2.07 -1.26 -5.07 121.20 115.48 3dxj s ILE 947 Ca 0.01 -3.43 0.00 0.00 -1.41 0.00 0.00 60.65 55.81 3dxj s ILE 947 Cb -0.00 -2.91 0.00 0.00 0.13 0.00 0.00 42.46 39.67 3dxj s ILE 947 CO 0.81 -0.85 0.00 0.35 -1.91 0.00 0.00 174.94 173.35 3dxj n THR 948 N 2.97 0.00 -3.35 4.00 -2.24 -1.26 -5.07 114.28 109.33 3dxj n THR 948 Ca 0.08 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.75 3dxj n THR 948 Cb 0.33 -0.41 -0.08 0.00 -2.10 0.00 0.00 70.33 68.07 3dxj n THR 948 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3dxj s ILE 949 N 2.58 -0.57 0.02 2.28 1.01 -1.26 -4.77 121.20 120.49 3dxj s ILE 949 Ca 0.00 -0.18 0.03 0.00 0.00 0.00 0.00 60.65 60.50 3dxj s ILE 949 Cb 0.00 -0.87 -0.04 0.00 0.01 0.00 0.00 42.46 41.56 3dxj s ILE 949 CO 0.00 -0.21 -0.01 -0.83 0.00 0.00 0.00 174.94 173.89 3dxj s GLY 950 N 2.51 1.86 0.61 6.18 0.00 -1.26 -4.96 107.32 112.27 3dxj s GLY 950 Ca 0.11 -1.01 0.25 0.00 0.00 0.00 0.00 44.72 44.08 3dxj s GLY 950 CO -0.21 -0.90 1.57 1.19 0.00 0.00 0.00 173.10 174.75 3dxj h ILE 951 N 3.41 0.13 -0.08 0.90 6.09 -2.01 1.23 117.51 127.19 3dxj h ILE 951 Ca -0.48 0.00 -0.04 0.00 -1.37 0.00 0.00 64.86 62.96 3dxj h ILE 951 Cb 1.17 0.32 -0.01 0.00 0.47 0.00 0.00 36.82 38.77 3dxj h ILE 951 CO 0.57 0.00 -0.16 0.44 -3.07 0.00 0.00 178.15 175.94 3dxj h ASP 952 N 0.00 0.12 0.59 2.19 5.19 -2.03 -2.11 116.42 120.35 3dxj h ASP 952 Ca 0.28 -0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.66 3dxj h ASP 952 Cb 1.90 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 41.38 3dxj h ASP 952 CO -0.00 0.29 0.00 0.44 -3.12 0.00 0.00 179.24 176.85 3dxj h ASP 953 N 0.12 0.00 0.00 6.45 5.19 0.12 -3.07 116.42 125.23 3dxj h ASP 953 Ca 0.02 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 56.32 3dxj h ASP 953 Cb 0.35 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.82 3dxj h ASP 953 CO 0.02 0.00 -0.11 0.00 -3.12 0.00 0.00 179.24 176.03 3dxj n ALA 954 N -1.96 4.55 -1.43 3.45 0.00 -0.80 -4.87 120.51 119.46 3dxj n ALA 954 Ca -0.00 -1.05 -0.57 0.00 0.00 0.00 0.00 53.44 51.81 3dxj n ALA 954 Cb 0.20 -2.10 -0.09 0.00 0.00 0.00 0.00 19.45 17.46 3dxj n ALA 954 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3dxj n VAL 955 N 2.44 0.11 -3.21 0.00 0.31 -1.16 -4.70 118.33 112.12 3dxj n VAL 955 Ca 0.25 -0.09 -0.44 0.00 -0.01 0.00 0.00 64.34 64.05 3dxj n VAL 955 Cb 0.60 -0.98 -0.07 0.00 -0.91 0.00 0.00 33.84 32.48 3dxj n VAL 955 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3dxj s ILE 956 N 5.80 4.95 0.59 2.52 1.01 -1.26 -4.86 121.20 129.95 3dxj s ILE 956 Ca 1.12 -0.54 -0.20 0.00 0.00 0.00 0.00 60.65 61.03 3dxj s ILE 956 Cb -1.23 -4.24 -0.03 0.00 0.01 0.00 0.00 42.46 36.97 3dxj s ILE 956 CO 0.62 -0.72 1.31 -2.65 0.00 0.00 0.00 174.94 173.50 3dxj n PRO 957 N 5.97 1.42 0.02 2.79 -0.02 -1.26 -4.93 135.00 138.99 3dxj n PRO 957 Ca -0.07 0.53 -0.05 0.00 -2.02 0.00 0.00 63.50 61.89 3dxj n PRO 957 Cb 0.45 -2.54 0.15 0.00 -0.02 0.00 0.00 33.50 31.54 3dxj n PRO 957 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3dxj h GLU 958 N 1.01 0.47 0.00 -0.52 4.57 -1.99 -2.93 114.58 115.19 3dxj h GLU 958 Ca -0.51 -0.23 0.00 0.00 -1.18 0.00 0.00 59.36 57.44 3dxj h GLU 958 Cb 1.32 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.91 3dxj h GLU 958 CO 0.55 0.79 0.60 0.93 -1.18 0.00 0.00 179.01 180.69 3dxj h GLU 959 N 0.40 0.00 0.00 1.92 3.07 -1.99 -0.97 114.58 117.01 3dxj h GLU 959 Ca 0.04 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.90 3dxj h GLU 959 Cb 0.85 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.76 3dxj h GLU 959 CO 0.07 0.00 0.00 1.17 -1.40 0.00 0.00 179.01 178.85 3dxj n LYS 960 N -2.52 0.00 -0.32 2.33 4.81 -1.11 -0.65 118.16 120.71 3dxj n LYS 960 Ca -0.01 0.72 -0.03 0.00 -0.87 0.00 0.00 58.31 58.12 3dxj n LYS 960 Cb 0.62 -1.47 0.00 0.00 0.02 0.00 0.00 35.03 34.20 3dxj n LYS 960 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 3dxj n LYS 961 N -2.40 -0.23 0.00 1.64 4.76 -0.37 0.14 118.16 121.71 3dxj n LYS 961 Ca 0.00 1.24 0.00 0.00 -2.87 0.00 0.00 58.31 56.68 3dxj n LYS 961 Cb 0.00 -1.83 0.00 0.00 -1.84 0.00 0.00 35.03 31.36 3dxj n LYS 961 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 3dxj n GLN 962 N -5.14 0.00 -0.35 1.97 6.02 -0.77 0.20 117.38 119.31 3dxj n GLN 962 Ca 0.07 0.20 0.01 0.00 -0.01 0.00 0.00 57.00 57.27 3dxj n GLN 962 Cb 0.30 -0.85 0.07 0.00 1.02 0.00 0.00 30.24 30.78 3dxj n GLN 962 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 177.06 177.93 3dxj h TYR 963 N 0.00 -0.83 -0.81 1.08 0.05 -0.35 1.72 116.97 117.83 3dxj h TYR 963 Ca 0.00 0.09 0.17 0.00 0.05 0.00 0.00 58.73 59.05 3dxj h TYR 963 Cb 0.00 0.51 -0.15 0.00 1.01 0.00 0.00 36.73 38.10 3dxj h TYR 963 CO 0.00 -0.40 -0.14 -0.07 -1.05 0.00 0.00 178.16 176.50 3dxj h LEU 964 N -0.02 -0.63 0.00 3.88 3.38 0.15 0.60 115.31 122.67 3dxj h LEU 964 Ca 0.38 0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.58 3dxj h LEU 964 Cb 0.63 0.46 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3dxj h LEU 964 CO -0.95 -0.25 0.00 1.21 0.09 0.00 0.00 178.44 178.53 3dxj n GLU 965 N -5.48 0.00 -0.10 1.13 4.07 0.53 -2.92 120.64 117.86 3dxj n GLU 965 Ca 0.13 0.47 0.10 0.00 -0.06 0.00 0.00 57.16 57.80 3dxj n GLU 965 Cb 0.45 -1.15 0.19 0.00 -0.06 0.00 0.00 31.44 30.87 3dxj n GLU 965 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 3dxj n GLU 966 N -1.90 -0.02 -0.05 5.31 1.02 0.19 0.40 120.64 125.59 3dxj n GLU 966 Ca 0.00 0.43 -0.16 0.00 -0.02 0.00 0.00 57.16 57.41 3dxj n GLU 966 Cb 0.00 -0.77 -0.06 0.00 -0.02 0.00 0.00 31.44 30.59 3dxj n GLU 966 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3dxj h ALA 967 N 0.61 0.38 -0.11 0.62 0.00 -0.95 -3.29 119.26 116.53 3dxj h ALA 967 Ca 0.27 -0.55 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 3dxj h ALA 967 Cb 0.72 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3dxj h ALA 967 CO -0.23 0.67 0.06 0.22 0.00 0.00 0.00 179.25 179.97 3dxj h ASP 968 N 0.60 0.13 -0.60 0.00 1.82 0.80 -2.69 116.42 116.48 3dxj h ASP 968 Ca -0.02 -0.06 0.12 0.00 -0.39 0.00 0.00 57.03 56.69 3dxj h ASP 968 Cb 1.26 -0.03 -0.11 0.00 0.68 0.00 0.00 39.33 41.14 3dxj h ASP 968 CO 0.14 0.15 -0.05 0.08 -1.61 0.00 0.00 179.24 177.95 3dxj h ARG 969 N 0.10 0.07 -0.89 0.28 0.11 -1.62 0.34 114.38 112.78 3dxj h ARG 969 Ca 0.04 -0.00 0.22 0.00 0.10 0.00 0.00 59.98 60.33 3dxj h ARG 969 Cb 0.04 -0.02 -0.12 0.00 1.11 0.00 0.00 29.97 30.98 3dxj h ARG 969 CO -0.01 0.05 0.38 -0.22 0.10 0.00 0.00 179.97 180.27 3dxj h LYS 970 N 0.08 0.38 -0.37 0.08 1.63 -1.55 0.38 116.57 117.20 3dxj h LYS 970 Ca 0.31 -0.02 0.08 0.00 -0.85 0.00 0.00 60.65 60.16 3dxj h LYS 970 Cb 0.49 -0.09 -0.08 0.00 -0.60 0.00 0.00 32.23 31.95 3dxj h LYS 970 CO -0.55 0.25 -0.22 -0.07 -3.45 0.00 0.00 179.45 175.41 3dxj h LEU 971 N 0.40 -0.74 -0.21 5.20 3.38 -0.11 0.41 115.31 123.63 3dxj h LEU 971 Ca 0.55 0.16 0.05 0.00 0.09 0.00 0.00 57.88 58.73 3dxj h LEU 971 Cb 1.04 0.38 -0.07 0.00 0.09 0.00 0.00 40.66 42.10 3dxj h LEU 971 CO -0.53 -0.25 -0.46 -0.07 0.09 0.00 0.00 178.44 177.23 3dxj h LEU 972 N -0.16 -1.46 -0.64 1.67 -0.00 -0.10 1.01 115.31 115.63 3dxj h LEU 972 Ca 0.18 0.20 0.06 0.00 -0.00 0.00 0.00 57.88 58.32 3dxj h LEU 972 Cb 0.45 0.60 -0.09 0.00 -0.00 0.00 0.00 40.66 41.62 3dxj h LEU 972 CO -0.47 -0.43 -0.53 1.56 -0.00 0.00 0.00 178.44 178.58 3dxj h GLN 973 N -0.47 -0.18 0.02 1.13 4.20 -0.07 0.39 115.11 120.12 3dxj h GLN 973 Ca 0.08 0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.81 3dxj h GLN 973 Cb 0.63 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.43 3dxj h GLN 973 CO -0.46 -0.12 -0.23 0.82 -0.67 0.00 0.00 178.83 178.17 3dxj h ILE 974 N -0.19 0.00 -0.99 2.54 2.04 0.14 -2.51 117.51 118.55 3dxj h ILE 974 Ca 0.10 0.00 0.24 0.00 1.00 0.00 0.00 64.86 66.20 3dxj h ILE 974 Cb 0.47 0.00 -0.19 0.00 -0.74 0.00 0.00 36.82 36.36 3dxj h ILE 974 CO -0.70 0.00 -0.10 -0.08 0.00 0.00 0.00 178.15 177.27 3dxj h GLU 975 N -0.30 0.00 0.04 2.37 4.57 0.17 -0.15 114.58 121.28 3dxj h GLU 975 Ca 0.00 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 3dxj h GLU 975 Cb 0.32 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.89 3dxj h GLU 975 CO -0.14 0.00 -0.16 1.96 -1.18 0.00 0.00 179.01 179.49 3dxj h GLN 976 N 0.00 -0.23 -1.16 1.92 1.08 -0.53 -0.17 115.11 116.03 3dxj h GLN 976 Ca 0.54 0.02 0.34 0.00 -1.45 0.00 0.00 58.65 58.09 3dxj h GLN 976 Cb 0.99 0.05 -0.05 0.00 -0.05 0.00 0.00 27.48 28.43 3dxj h GLN 976 CO -0.97 -0.15 1.16 0.00 -0.95 0.00 0.00 178.83 177.92 3dxj h ALA 977 N -1.25 3.07 0.12 3.87 0.00 -0.68 1.14 119.26 125.53 3dxj h ALA 977 Ca -0.00 -0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.65 3dxj h ALA 977 Cb 0.24 0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.12 3dxj h ALA 977 CO -0.09 -1.75 -1.02 -0.92 0.00 0.00 0.00 179.25 175.46 3dxj h TYR 978 N 0.00 0.46 0.00 0.00 3.20 -0.70 -0.72 116.97 119.20 3dxj h TYR 978 Ca 0.55 -0.34 -0.00 0.00 3.14 0.00 0.00 58.73 62.08 3dxj h TYR 978 Cb 2.86 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 41.11 3dxj h TYR 978 CO 0.00 1.40 -0.01 0.93 -1.64 0.00 0.00 178.16 178.84 3dxj h GLU 979 N -0.40 0.00 -0.02 1.82 5.08 0.29 0.16 114.58 121.52 3dxj h GLU 979 Ca -0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 3dxj h GLU 979 Cb 1.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.90 3dxj h GLU 979 CO 0.10 0.01 -0.00 -1.33 -1.00 0.00 0.00 179.01 176.79 3dxj n MET 980 N -3.50 1.72 -0.94 2.33 2.81 0.44 -4.94 117.12 115.03 3dxj n MET 980 Ca -0.03 -1.04 0.00 0.00 -1.81 0.00 0.00 57.70 54.82 3dxj n MET 980 Cb 0.10 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.13 3dxj n MET 980 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3dxj n GLY 981 N 1.19 0.36 0.00 3.03 0.00 0.57 -4.81 105.19 105.53 3dxj n GLY 981 Ca 0.19 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.30 3dxj n GLY 981 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3dxj n PHE 982 N -2.42 0.00 -4.54 1.61 3.01 -0.29 -4.74 117.46 110.09 3dxj n PHE 982 Ca 0.00 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 58.24 3dxj n PHE 982 Cb 0.16 -0.50 -0.16 0.00 -0.01 0.00 0.00 39.48 38.98 3dxj n PHE 982 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3dxj s LEU 983 N -2.99 1.85 0.32 4.37 1.43 -1.15 -4.99 118.68 117.52 3dxj s LEU 983 Ca 0.10 -0.24 -0.25 0.00 -1.03 0.00 0.00 54.13 52.72 3dxj s LEU 983 Cb 0.13 -0.68 -0.10 0.00 0.03 0.00 0.00 46.19 45.58 3dxj s LEU 983 CO 0.37 0.10 0.91 0.28 0.23 0.00 0.00 176.35 178.24 3dxj s THR 984 N 0.10 4.28 0.26 5.49 -1.32 -1.26 -4.82 115.64 118.37 3dxj s THR 984 Ca -0.02 1.71 -0.10 0.00 -1.21 0.00 0.00 61.69 62.07 3dxj s THR 984 Cb -0.09 -3.95 0.40 0.00 -1.51 0.00 0.00 72.50 67.35 3dxj s THR 984 CO 0.01 0.11 1.57 0.44 -2.21 0.00 0.00 174.62 174.53 3dxj h ASP 985 N 3.08 -0.95 0.72 8.08 3.45 -1.99 0.34 116.42 129.15 3dxj h ASP 985 Ca -0.47 0.29 -0.03 0.00 0.43 0.00 0.00 57.03 57.24 3dxj h ASP 985 Cb 1.19 0.61 -0.00 0.00 -0.56 0.00 0.00 39.33 40.57 3dxj h ASP 985 CO 0.65 -0.31 -0.40 -0.09 -1.57 0.00 0.00 179.24 177.51 3dxj h ARG 986 N -0.00 -1.01 -0.99 3.56 9.65 -1.99 -1.16 114.38 122.44 3dxj h ARG 986 Ca 0.44 0.07 0.41 0.00 -1.10 0.00 0.00 59.98 59.79 3dxj h ARG 986 Cb 0.68 0.23 -0.17 0.00 -1.39 0.00 0.00 29.97 29.32 3dxj h ARG 986 CO -0.97 -0.67 0.55 0.39 2.80 0.00 0.00 179.97 182.07 3dxj n GLU 987 N -5.55 -0.05 0.00 0.20 1.02 0.01 -0.91 120.64 115.35 3dxj n GLU 987 Ca -0.14 1.30 0.00 0.00 -0.02 0.00 0.00 57.16 58.30 3dxj n GLU 987 Cb 0.43 -2.36 0.00 0.00 -0.02 0.00 0.00 31.44 29.50 3dxj n GLU 987 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 3dxj n ARG 988 N -5.10 0.00 0.00 3.49 0.63 -0.58 -2.53 116.66 112.58 3dxj n ARG 988 Ca 0.36 0.19 0.00 0.00 -0.92 0.00 0.00 57.85 57.49 3dxj n ARG 988 Cb 1.25 -1.08 0.00 0.00 0.45 0.00 0.00 32.46 33.09 3dxj n ARG 988 CO 0.00 0.00 0.00 0.98 -2.51 0.00 0.00 177.63 176.10 3dxj n TYR 989 N -1.08 0.00 0.00 -0.14 9.36 -0.08 -1.17 117.16 124.04 3dxj n TYR 989 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 3dxj n TYR 989 Cb 0.00 -0.11 0.00 0.00 -0.63 0.00 0.00 39.34 38.60 3dxj n TYR 989 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 3dxj n ASP 990 N -1.60 0.00 -0.30 2.98 8.00 -0.34 -0.33 116.55 124.94 3dxj n ASP 990 Ca 0.00 0.59 0.01 0.00 0.71 0.00 0.00 54.79 56.10 3dxj n ASP 990 Cb 0.00 -0.23 0.05 0.00 -0.02 0.00 0.00 41.12 40.92 3dxj n ASP 990 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dxj n GLN 991 N -2.07 -0.16 -0.18 -1.24 6.02 -0.37 0.38 117.38 119.76 3dxj n GLN 991 Ca 0.00 1.24 -0.11 0.00 -0.01 0.00 0.00 57.00 58.12 3dxj n GLN 991 Cb 0.00 -1.84 -0.07 0.00 1.02 0.00 0.00 30.24 29.35 3dxj n GLN 991 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 3dxj h ILE 992 N 0.00 0.05 0.17 5.09 2.04 0.84 0.22 117.51 125.92 3dxj h ILE 992 Ca 0.30 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.16 3dxj h ILE 992 Cb 0.51 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 3dxj h ILE 992 CO -0.80 0.00 -0.22 -0.07 0.00 0.00 0.00 178.15 177.06 3dxj h LEU 993 N -0.30 -0.61 -0.49 1.44 3.38 0.51 -1.01 115.31 118.23 3dxj h LEU 993 Ca 0.13 0.05 0.11 0.00 0.09 0.00 0.00 57.88 58.26 3dxj h LEU 993 Cb 0.57 0.21 -0.09 0.00 0.09 0.00 0.00 40.66 41.44 3dxj h LEU 993 CO -0.65 -0.27 -0.08 0.00 0.09 0.00 0.00 178.44 177.53 3dxj n GLN 994 N -3.66 -0.04 0.00 1.13 1.13 -0.14 0.13 117.38 115.93 3dxj n GLN 994 Ca -0.05 0.76 0.00 0.00 -1.94 0.00 0.00 57.00 55.77 3dxj n GLN 994 Cb 0.19 -1.15 0.00 0.00 0.11 0.00 0.00 30.24 29.39 3dxj n GLN 994 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 3dxj n LEU 995 N -4.73 0.00 -0.17 1.08 7.94 0.70 -1.95 117.00 119.88 3dxj n LEU 995 Ca 0.09 0.63 -0.04 0.00 -1.11 0.00 0.00 56.01 55.57 3dxj n LEU 995 Cb 0.29 -0.13 -0.04 0.00 0.53 0.00 0.00 43.42 44.07 3dxj n LEU 995 CO -0.05 -0.13 0.38 0.79 -1.11 0.00 0.00 177.39 177.27 3dxj n TRP 996 N -1.03 -0.17 -0.10 1.96 5.03 0.35 0.04 117.44 123.52 3dxj n TRP 996 Ca 0.00 0.50 -0.03 0.00 3.03 0.00 0.00 57.50 61.00 3dxj n TRP 996 Cb 0.00 -0.48 -0.02 0.00 -1.03 0.00 0.00 31.31 29.78 3dxj n TRP 996 CO 0.00 0.00 0.00 2.41 -0.03 0.00 0.00 177.69 180.07 3dxj n THR 997 N -3.90 -0.16 -0.21 -0.99 -1.04 0.52 0.14 114.28 108.65 3dxj n THR 997 Ca 0.01 1.35 -0.07 0.00 -2.04 0.00 0.00 64.05 63.30 3dxj n THR 997 Cb 0.10 -1.75 -0.02 0.00 -1.82 0.00 0.00 70.33 66.85 3dxj n THR 997 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 3dxj h GLU 998 N 0.00 -0.19 -0.05 -2.82 4.81 0.04 -0.60 114.58 115.77 3dxj h GLU 998 Ca 0.04 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.29 3dxj h GLU 998 Cb 0.09 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.49 3dxj h GLU 998 CO -0.22 -0.13 -0.24 1.15 -0.73 0.00 0.00 179.01 178.84 3dxj h THR 999 N -0.20 0.00 -1.00 0.32 2.02 0.48 -0.18 112.91 114.36 3dxj h THR 999 Ca 0.20 0.00 0.38 0.00 0.77 0.00 0.00 66.41 67.77 3dxj h THR 999 Cb 0.56 0.00 -0.18 0.00 -1.74 0.00 0.00 68.15 66.79 3dxj h THR 999 CO -0.69 0.00 0.41 0.74 0.37 0.00 0.00 175.52 176.35 3dxj h THR 1000N -0.26 0.00 0.41 3.16 2.02 0.19 0.28 112.91 118.71 3dxj h THR 1000Ca 0.01 -0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.17 3dxj h THR 1000Cb 0.30 -0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.72 3dxj h THR 1000CO -0.19 0.00 -0.20 -0.08 0.37 0.00 0.00 175.52 175.42 3dxj h GLU 1001N 0.00 -0.53 -0.80 6.66 4.57 0.37 -2.86 114.58 121.99 3dxj h GLU 1001Ca 0.79 0.04 0.18 0.00 -1.18 0.00 0.00 59.36 59.18 3dxj h GLU 1001Cb 1.98 0.12 -0.15 0.00 -0.16 0.00 0.00 28.75 30.54 3dxj h GLU 1001CO -0.81 -0.36 -0.12 1.63 -1.18 0.00 0.00 179.01 178.17 3dxj n LYS 1002N -3.73 -0.07 0.00 1.92 5.02 0.82 0.43 118.16 122.55 3dxj n LYS 1002Ca -0.07 1.23 0.00 0.00 -2.02 0.00 0.00 58.31 57.45 3dxj n LYS 1002Cb 0.22 -1.88 0.00 0.00 -0.02 0.00 0.00 35.03 33.35 3dxj n LYS 1002CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3dxj n VAL 1003N -5.25 0.00 -0.20 -0.18 0.31 -0.24 -1.33 118.33 111.43 3dxj n VAL 1003Ca 0.15 1.43 0.00 0.00 -0.01 0.00 0.00 64.34 65.91 3dxj n VAL 1003Cb 0.48 -2.05 0.03 0.00 -0.91 0.00 0.00 33.84 31.39 3dxj n VAL 1003CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3dxj n THR 1004N -2.51 -0.27 -0.18 2.52 -1.04 0.17 0.40 114.28 113.37 3dxj n THR 1004Ca 0.00 1.25 -0.10 0.00 -2.04 0.00 0.00 64.05 63.16 3dxj n THR 1004Cb 0.00 -1.67 -0.07 0.00 -1.82 0.00 0.00 70.33 66.77 3dxj n THR 1004CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 3dxj h GLN 1005N 0.00 -0.18 -0.12 -2.82 5.75 -0.71 -2.66 115.11 114.37 3dxj h GLN 1005Ca 0.20 0.01 0.01 0.00 -0.15 0.00 0.00 58.65 58.73 3dxj h GLN 1005Cb 0.34 0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.91 3dxj h GLN 1005CO -0.54 -0.12 -0.08 0.00 -2.65 0.00 0.00 178.83 175.44 3dxj h ALA 1006N -0.18 -0.15 -0.00 3.38 0.00 0.25 0.16 119.26 122.73 3dxj h ALA 1006Ca 0.08 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3dxj h ALA 1006Cb 0.39 0.98 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 3dxj h ALA 1006CO -0.54 -0.21 -0.00 0.28 0.00 0.00 0.00 179.25 178.78 3dxj n VAL 1007N -3.25 -0.00 -0.10 0.00 0.31 -1.02 0.40 118.33 114.67 3dxj n VAL 1007Ca 0.00 0.73 -0.07 0.00 -0.01 0.00 0.00 64.34 65.00 3dxj n VAL 1007Cb 0.04 -0.98 0.01 0.00 -0.91 0.00 0.00 33.84 32.00 3dxj n VAL 1007CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 3dxj h PHE 1008N 0.00 0.25 -0.67 3.52 -1.00 -1.32 0.60 116.94 118.32 3dxj h PHE 1008Ca 0.00 0.02 0.12 0.00 2.81 0.00 0.00 57.97 60.91 3dxj h PHE 1008Cb 0.00 -0.06 -0.08 0.00 3.61 0.00 0.00 35.95 39.41 3dxj h PHE 1008CO -0.46 0.12 0.24 -0.22 -1.61 0.00 0.00 178.31 176.38 3dxj h LYS 1009N 0.30 0.38 -0.01 1.51 3.64 0.33 0.31 116.57 123.04 3dxj h LYS 1009Ca 0.15 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.49 3dxj h LYS 1009Cb 0.11 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.84 3dxj h LYS 1009CO -0.14 0.25 -0.10 -0.97 -2.27 0.00 0.00 179.45 176.23 3dxj h ASN 1010N 0.40 0.01 0.01 4.20 -1.24 1.16 -0.60 115.58 119.51 3dxj h ASN 1010Ca 0.35 -0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.36 3dxj h ASN 1010Cb 0.50 -0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.54 3dxj h ASN 1010CO -0.37 0.11 -0.00 -0.26 -1.29 0.00 0.00 177.43 175.62 3dxj h PHE 1011N 0.01 -0.01 -0.28 0.67 0.04 0.34 -2.38 116.94 115.33 3dxj h PHE 1011Ca 0.00 -0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.79 3dxj h PHE 1011Cb 0.18 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.32 3dxj h PHE 1011CO 0.00 0.80 0.19 1.49 -0.60 0.00 0.00 178.31 180.19 3dxj h GLU 1012N -0.96 0.30 0.03 1.51 4.57 -0.61 0.59 114.58 120.02 3dxj h GLU 1012Ca -0.00 -0.02 -0.11 0.00 -1.18 0.00 0.00 59.36 58.05 3dxj h GLU 1012Cb 0.81 -0.07 0.01 0.00 -0.16 0.00 0.00 28.75 29.34 3dxj h GLU 1012CO 0.00 0.20 -0.46 0.93 -1.18 0.00 0.00 179.01 178.50 3dxj h GLU 1013N 0.31 0.26 0.00 1.92 4.39 -1.18 -3.41 114.58 116.87 3dxj h GLU 1013Ca 0.11 -0.32 0.00 0.00 0.34 0.00 0.00 59.36 59.49 3dxj h GLU 1013Cb 0.06 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 3dxj h GLU 1013CO -0.02 1.06 0.00 0.09 -1.16 0.00 0.00 179.01 178.98 3dxj n ASN 1014N -4.34 0.34 -2.73 1.42 3.02 -0.90 -4.87 115.26 107.20 3dxj n ASN 1014Ca -0.11 -0.69 -0.03 0.00 -0.03 0.00 0.00 54.58 53.72 3dxj n ASN 1014Cb 0.63 0.26 0.09 0.00 -0.61 0.00 0.00 39.78 40.15 3dxj n ASN 1014CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3dxj n TYR 1015N -0.26 -0.50 -0.33 3.10 4.01 0.40 -4.96 117.16 118.61 3dxj n TYR 1015Ca 0.00 -2.06 0.18 0.00 -0.16 0.00 0.00 57.90 55.85 3dxj n TYR 1015Cb 0.06 0.66 0.38 0.00 -0.31 0.00 0.00 39.34 40.12 3dxj n TYR 1015CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3dxj h PRO 1016N 2.02 0.45 0.00 -0.72 0.11 -0.19 1.09 132.00 134.75 3dxj h PRO 1016Ca -0.26 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3dxj h PRO 1016Cb 1.27 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3dxj h PRO 1016CO 0.06 0.29 0.00 1.19 -0.21 0.00 0.00 178.00 179.34 3dxj n PHE 1017N -4.98 0.00 -1.61 0.65 3.01 -1.26 -3.92 117.46 109.34 3dxj n PHE 1017Ca 0.26 0.00 -0.46 0.00 1.01 0.00 0.00 57.45 58.27 3dxj n PHE 1017Cb 0.77 -0.01 -0.02 0.00 -0.01 0.00 0.00 39.48 40.21 3dxj n PHE 1017CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 3dxj n ASN 1018N -1.01 1.74 0.00 4.37 2.85 0.38 -4.66 115.26 118.93 3dxj n ASN 1018Ca 0.21 1.16 0.00 0.00 -0.11 0.00 0.00 54.58 55.85 3dxj n ASN 1018Cb 0.10 -1.32 0.00 0.00 1.24 0.00 0.00 39.78 39.81 3dxj n ASN 1018CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 3dxj n PRO 1019N 1.25 0.00 -0.03 1.20 -0.02 -1.26 0.12 135.00 136.25 3dxj n PRO 1019Ca 0.11 0.49 -0.01 0.00 -2.02 0.00 0.00 63.50 62.07 3dxj n PRO 1019Cb 0.30 -1.04 -0.01 0.00 -0.02 0.00 0.00 33.50 32.74 3dxj n PRO 1019CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3dxj n LEU 1020N -1.09 -0.07 -0.19 2.45 4.77 -1.26 0.42 117.00 122.03 3dxj n LEU 1020Ca 0.00 0.70 -0.05 0.00 -0.03 0.00 0.00 56.01 56.63 3dxj n LEU 1020Cb 0.00 -0.31 -0.05 0.00 -2.33 0.00 0.00 43.42 40.73 3dxj n LEU 1020CO 0.00 -0.39 0.47 0.00 -1.33 0.00 0.00 177.39 176.14 3dxj n TYR 1021N -2.86 -0.20 -0.34 -1.77 -0.00 -1.02 0.81 117.16 111.78 3dxj n TYR 1021Ca 0.00 0.58 -0.02 0.00 -0.00 0.00 0.00 57.90 58.45 3dxj n TYR 1021Cb 0.02 -0.52 0.03 0.00 -0.00 0.00 0.00 39.34 38.86 3dxj n TYR 1021CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.86 177.14 3dxj h VAL 1022N 0.00 0.04 0.00 2.97 2.07 0.39 0.07 116.25 121.79 3dxj h VAL 1022Ca 0.07 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.59 3dxj h VAL 1022Cb 0.19 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.00 3dxj h VAL 1022CO -0.43 0.00 0.00 0.23 0.02 0.00 0.00 177.57 177.39 3dxj n MET 1023N -5.46 0.00 -0.37 1.57 2.81 0.24 -0.84 117.12 115.07 3dxj n MET 1023Ca 0.08 0.40 -0.08 0.00 -1.81 0.00 0.00 57.70 56.30 3dxj n MET 1023Cb 0.39 -1.25 -0.05 0.00 -0.71 0.00 0.00 33.22 31.60 3dxj n MET 1023CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3dxj h ALA 1024N -1.84 -0.32 -0.13 3.04 0.00 0.00 0.48 119.26 120.48 3dxj h ALA 1024Ca 0.00 0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.09 3dxj h ALA 1024Cb 0.00 1.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 3dxj h ALA 1024CO 0.00 -0.85 -0.29 1.96 0.00 0.00 0.00 179.25 180.07 3dxj h GLN 1025N -0.05 -0.26 0.00 0.00 1.08 -0.95 0.95 115.11 115.89 3dxj h GLN 1025Ca 0.22 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.43 3dxj h GLN 1025Cb 0.50 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.98 3dxj h GLN 1025CO -0.91 -0.17 0.35 0.66 -0.95 0.00 0.00 178.83 177.81 3dxj h SER 1026N -0.27 0.00 0.00 1.46 4.64 -0.11 -3.43 113.55 115.85 3dxj h SER 1026Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3dxj h SER 1026Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 3dxj h SER 1026CO -0.27 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.30 3dxj n GLY 1027N -1.27 0.96 0.40 -0.77 0.00 0.33 -2.94 105.19 101.90 3dxj n GLY 1027Ca -0.01 0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.23 3dxj n GLY 1027CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dxj h ALA 1028N 0.00 2.49 0.00 4.61 0.00 -1.57 -3.44 119.26 121.35 3dxj h ALA 1028Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3dxj h ALA 1028Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3dxj h ALA 1028CO 0.00 -0.74 0.00 -2.13 0.00 0.00 0.00 179.25 176.38 3dxj n ARG 1029N -4.22 0.00 0.00 0.00 0.63 -1.24 -4.58 116.66 107.25 3dxj n ARG 1029Ca 0.11 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.04 3dxj n ARG 1029Cb 0.68 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.59 3dxj n ARG 1029CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3dxj n GLY 1030N -0.29 -2.01 3.74 5.14 0.00 -1.26 -1.74 105.19 108.77 3dxj n GLY 1030Ca 0.00 -1.16 -0.29 0.00 0.00 0.00 0.00 46.02 44.57 3dxj n GLY 1030CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3dxj n ASN 1031N -0.57 3.09 0.30 1.61 0.23 -1.26 -4.11 115.26 114.55 3dxj n ASN 1031Ca 0.00 -3.07 -0.18 0.00 -0.53 0.00 0.00 54.58 50.80 3dxj n ASN 1031Cb 0.00 0.16 -0.09 0.00 -2.08 0.00 0.00 39.78 37.76 3dxj n ASN 1031CO 0.00 0.00 0.00 -0.65 -0.93 0.00 0.00 177.26 175.68 3dxj h PRO 1032N 0.00 -0.95 -0.98 -0.53 0.11 -1.99 -2.70 132.00 124.96 3dxj h PRO 1032Ca -0.39 0.06 0.16 0.00 0.11 0.00 0.00 66.00 65.94 3dxj h PRO 1032Cb 1.28 0.22 -0.16 0.00 0.11 0.00 0.00 31.00 32.45 3dxj h PRO 1032CO 0.63 -0.64 -0.37 1.04 -0.21 0.00 0.00 178.00 178.45 3dxj n GLN 1033N -5.56 -0.22 -0.07 1.05 3.00 -1.26 0.31 117.38 114.64 3dxj n GLN 1033Ca -0.12 1.51 -0.07 0.00 -0.01 0.00 0.00 57.00 58.31 3dxj n GLN 1033Cb 0.45 -2.25 -0.01 0.00 0.00 0.00 0.00 30.24 28.43 3dxj n GLN 1033CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.06 179.02 3dxj h GLN 1034N 0.00 -0.18 0.78 -1.09 4.20 -1.95 -2.54 115.11 114.33 3dxj h GLN 1034Ca 0.35 0.01 -0.04 0.00 0.06 0.00 0.00 58.65 59.04 3dxj h GLN 1034Cb 0.60 0.04 0.01 0.00 0.30 0.00 0.00 27.48 28.43 3dxj h GLN 1034CO -0.98 -0.12 -0.37 0.82 -0.67 0.00 0.00 178.83 177.51 3dxj h ILE 1035N -0.19 0.13 -0.84 2.54 2.04 0.19 -2.43 117.51 118.95 3dxj h ILE 1035Ca 0.15 -0.16 0.35 0.00 1.00 0.00 0.00 64.86 66.20 3dxj h ILE 1035Cb 0.42 0.16 -0.15 0.00 -0.74 0.00 0.00 36.82 36.51 3dxj h ILE 1035CO -0.39 0.01 0.46 -1.14 0.00 0.00 0.00 178.15 177.09 3dxj n ARG 1036N -5.49 -0.05 0.19 2.37 0.63 0.78 0.12 116.66 115.21 3dxj n ARG 1036Ca -0.14 1.14 -0.12 0.00 -0.92 0.00 0.00 57.85 57.81 3dxj n ARG 1036Cb 0.42 -2.06 -0.07 0.00 0.45 0.00 0.00 32.46 31.20 3dxj n ARG 1036CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 3dxj h GLN 1037N 0.00 -0.51 0.18 -0.14 4.20 -1.23 -0.07 115.11 117.53 3dxj h GLN 1037Ca 0.71 0.03 -0.00 0.00 0.06 0.00 0.00 58.65 59.45 3dxj h GLN 1037Cb 1.89 0.12 -0.02 0.00 0.30 0.00 0.00 27.48 29.77 3dxj h GLN 1037CO -0.63 -0.21 -0.28 -0.07 -0.67 0.00 0.00 178.83 176.98 3dxj h LEU 1038N -0.97 -0.80 -0.92 1.46 3.38 0.14 0.02 115.31 117.63 3dxj h LEU 1038Ca -0.05 0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 3dxj h LEU 1038Cb 0.54 0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 3dxj h LEU 1038CO 0.09 -0.33 -0.34 0.00 0.09 0.00 0.00 178.44 177.94 3dxj n GLY 1040N -0.25 0.29 3.50 0.00 0.00 -0.50 -4.38 105.19 103.85 3dxj n GLY 1040Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 3dxj n GLY 1040CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3dxj s LEU 1041N -0.44 3.43 0.26 0.99 2.96 -0.16 -1.14 118.68 124.58 3dxj s LEU 1041Ca 0.00 -0.12 0.10 0.00 -0.22 0.00 0.00 54.13 53.89 3dxj s LEU 1041Cb 0.00 -1.87 0.32 0.00 0.50 0.00 0.00 46.19 45.14 3dxj s LEU 1041CO 0.00 0.09 1.59 -0.09 -1.32 0.00 0.00 176.35 176.62 3dxj h ARG 1042N 7.31 0.00 0.00 1.98 2.43 -0.90 -3.24 114.38 121.96 3dxj h ARG 1042Ca -0.36 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.81 3dxj h ARG 1042Cb 1.18 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 3dxj h ARG 1042CO 0.63 0.64 0.00 0.41 -1.51 0.00 0.00 179.97 180.14 3dxj n GLY 1043N 0.32 -0.14 3.77 2.80 0.00 -0.54 -4.82 105.19 106.58 3dxj n GLY 1043Ca -0.01 -1.43 -0.39 0.00 0.00 0.00 0.00 46.02 44.19 3dxj n GLY 1043CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dxj s LEU 1044N 0.00 4.48 0.23 0.99 1.43 -1.26 0.20 118.68 124.76 3dxj s LEU 1044Ca 0.00 1.34 0.10 0.00 -1.03 0.00 0.00 54.13 54.54 3dxj s LEU 1044Cb 0.00 -3.05 -0.04 0.00 0.03 0.00 0.00 46.19 43.13 3dxj s LEU 1044CO 0.00 0.15 -0.14 -0.04 0.23 0.00 0.00 176.35 176.55 3dxj s MET 1045N -0.57 1.89 0.29 1.70 -1.94 -1.26 -4.94 119.30 114.46 3dxj s MET 1045Ca 0.33 -1.49 0.12 0.00 -1.71 0.00 0.00 55.69 52.94 3dxj s MET 1045Cb -0.20 -1.99 -0.05 0.00 2.01 0.00 0.00 34.83 34.60 3dxj s MET 1045CO 0.21 0.38 -0.17 1.14 -0.01 0.00 0.00 175.02 176.57 3dxj s GLN 1046N -3.15 1.74 0.79 2.03 -2.07 -1.26 -2.03 119.66 115.72 3dxj s GLN 1046Ca 0.27 -1.77 -0.11 0.00 -1.82 0.00 0.00 55.36 51.93 3dxj s GLN 1046Cb -0.07 -1.79 0.07 0.00 -1.09 0.00 0.00 33.01 30.13 3dxj s GLN 1046CO 0.15 0.31 1.09 0.15 -1.32 0.00 0.00 175.29 175.66 3dxj s LYS 1047N -3.54 2.10 0.15 9.60 1.02 0.31 -4.31 119.74 125.08 3dxj s LYS 1047Ca 0.30 0.94 -0.16 0.00 0.02 0.00 0.00 55.97 57.07 3dxj s LYS 1047Cb -0.04 -1.90 0.02 0.00 -0.52 0.00 0.00 37.83 35.39 3dxj s LYS 1047CO 0.16 -1.69 1.81 -1.35 -0.92 0.00 0.00 175.35 173.35 3dxj h PRO 1048N -1.15 0.49 -1.02 -1.68 0.11 -1.93 0.54 132.00 127.35 3dxj h PRO 1048Ca -0.46 -0.03 0.27 0.00 0.11 0.00 0.00 66.00 65.89 3dxj h PRO 1048Cb 1.25 -0.11 -0.12 0.00 0.11 0.00 0.00 31.00 32.12 3dxj h PRO 1048CO 0.55 0.32 0.61 0.66 -0.21 0.00 0.00 178.00 179.93 3dxj h SER 1049N 0.50 0.60 0.00 -2.05 4.64 -2.03 -3.44 113.55 111.77 3dxj h SER 1049Ca 0.15 0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 3dxj h SER 1049Cb -0.03 0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 3dxj h SER 1049CO -0.05 0.05 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3dxj n GLY 1050N -1.34 1.75 3.72 -0.77 0.00 0.19 -5.09 105.19 103.65 3dxj n GLY 1050Ca 0.28 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.88 3dxj n GLY 1050CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3dxj s GLU 1051N 0.00 4.24 0.76 1.61 -1.05 -1.26 -4.42 118.70 118.58 3dxj s GLU 1051Ca 0.00 2.30 -0.14 0.00 -0.15 0.00 0.00 54.97 56.97 3dxj s GLU 1051Cb 0.00 -3.19 0.06 0.00 -0.44 0.00 0.00 34.13 30.56 3dxj s GLU 1051CO 0.00 -0.57 1.22 0.95 0.95 0.00 0.00 175.26 177.81 3dxj s THR 1052N 1.18 2.10 0.69 1.83 -4.23 -1.26 -0.53 115.64 115.42 3dxj s THR 1052Ca 0.69 0.05 -0.11 0.00 -1.18 0.00 0.00 61.69 61.14 3dxj s THR 1052Cb -0.42 -2.59 0.00 0.00 1.34 0.00 0.00 72.50 70.83 3dxj s THR 1052CO 0.31 -0.03 1.06 -0.36 -0.54 0.00 0.00 174.62 175.07 3dxj s PHE 1053N -1.97 3.26 -0.05 3.99 0.40 -0.86 -4.70 117.98 118.05 3dxj s PHE 1053Ca 0.75 1.26 -0.12 0.00 -0.60 0.00 0.00 56.93 58.23 3dxj s PHE 1053Cb -0.30 -2.91 -0.31 0.00 0.51 0.00 0.00 43.02 40.01 3dxj s PHE 1053CO 0.47 -1.15 0.67 1.49 0.70 0.00 0.00 175.22 177.40 3dxj h GLU 1054N -0.65 0.39 -6.23 0.44 4.81 -1.93 -3.46 114.58 107.96 3dxj h GLU 1054Ca -0.45 -0.67 -0.57 0.00 -0.13 0.00 0.00 59.36 57.54 3dxj h GLU 1054Cb 1.22 0.25 -0.04 0.00 0.63 0.00 0.00 28.75 30.81 3dxj h GLU 1054CO 0.60 1.32 -0.12 0.14 -0.73 0.00 0.00 179.01 180.22 3dxj s VAL 1055N -2.57 4.91 0.53 0.32 -7.23 -1.26 -4.89 120.40 110.21 3dxj s VAL 1055Ca -0.16 0.81 0.07 0.00 -1.81 0.00 0.00 61.98 60.89 3dxj s VAL 1055Cb 0.05 -3.74 0.06 0.00 0.56 0.00 0.00 36.38 33.31 3dxj s VAL 1055CO 0.85 0.34 0.73 -2.16 -0.31 0.00 0.00 175.10 174.55 3dxj s PRO 1056N -1.71 2.46 -0.89 4.82 0.05 -1.26 -4.72 135.00 133.76 3dxj s PRO 1056Ca 0.34 -1.34 -0.13 0.00 0.05 0.00 0.00 61.00 59.92 3dxj s PRO 1056Cb -0.16 -2.64 0.23 0.00 0.05 0.00 0.00 34.50 31.99 3dxj s PRO 1056CO 0.18 -0.69 0.84 0.08 0.05 0.00 0.00 177.00 177.46 3dxj s VAL 1057N -2.61 5.69 0.08 -0.36 1.01 0.55 -4.92 120.40 119.84 3dxj s VAL 1057Ca 0.59 -2.66 -0.34 0.00 0.00 0.00 0.00 61.98 59.58 3dxj s VAL 1057Cb -0.08 -4.50 -0.16 0.00 0.00 0.00 0.00 36.38 31.64 3dxj s VAL 1057CO 0.37 -1.06 1.59 0.03 0.00 0.00 0.00 175.10 176.03 3dxj h ARG 1058N 7.56 -0.90 -6.11 2.72 3.08 -1.93 -1.28 114.38 117.52 3dxj h ARG 1058Ca 0.12 0.06 -0.59 0.00 0.07 0.00 0.00 59.98 59.65 3dxj h ARG 1058Cb 1.01 0.20 0.19 0.00 0.08 0.00 0.00 29.97 31.45 3dxj h ARG 1058CO 0.80 -0.60 -1.10 0.43 -1.07 0.00 0.00 179.97 178.43 3dxj n SER 1059N -5.53 -3.49 -4.97 7.04 7.64 -1.26 -3.85 113.62 109.20 3dxj n SER 1059Ca -0.12 0.59 -0.19 0.00 1.01 0.00 0.00 58.87 60.17 3dxj n SER 1059Cb 0.42 -0.90 -0.01 0.00 -1.01 0.00 0.00 64.21 62.71 3dxj n SER 1059CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3dxj s SER 1060N -1.06 5.70 0.29 6.43 1.04 -0.30 -2.16 113.70 123.64 3dxj s SER 1060Ca 0.57 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.64 3dxj s SER 1060Cb -0.44 -0.94 0.44 0.00 0.10 0.00 0.00 66.02 65.18 3dxj s SER 1060CO 0.66 -0.56 1.83 -0.26 0.98 0.00 0.00 173.24 175.89 3dxj h PHE 1061N 0.86 0.77 0.02 5.02 0.04 0.32 -1.65 116.94 122.32 3dxj h PHE 1061Ca -0.43 -0.08 0.01 0.00 2.80 0.00 0.00 57.97 60.26 3dxj h PHE 1061Cb 1.27 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 39.18 3dxj h PHE 1061CO 0.44 0.68 -0.04 -0.09 -0.60 0.00 0.00 178.31 178.69 3dxj h ARG 1062N 0.71 -0.09 -0.85 1.51 2.43 -1.70 -2.06 114.38 114.33 3dxj h ARG 1062Ca 0.15 0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.42 3dxj h ARG 1062Cb 0.33 0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 29.83 3dxj h ARG 1062CO 0.00 -0.06 0.50 0.93 -1.51 0.00 0.00 179.97 179.84 3dxj h GLU 1063N -0.09 0.82 0.00 0.20 5.08 -1.74 -3.48 114.58 115.37 3dxj h GLU 1063Ca 0.01 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3dxj h GLU 1063Cb 0.10 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.17 3dxj h GLU 1063CO -0.03 0.54 0.00 0.41 -1.00 0.00 0.00 179.01 178.93 3dxj n GLY 1064N -1.32 2.20 3.96 -3.84 0.00 -0.65 -4.95 105.19 100.58 3dxj n GLY 1064Ca 0.14 -1.59 -0.22 0.00 0.00 0.00 0.00 46.02 44.35 3dxj n GLY 1064CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dxj s LEU 1065N 0.00 3.61 0.42 0.99 1.43 -1.26 -4.72 118.68 119.16 3dxj s LEU 1065Ca 0.00 0.15 -0.14 0.00 -1.03 0.00 0.00 54.13 53.11 3dxj s LEU 1065Cb 0.00 -3.04 -0.08 0.00 0.03 0.00 0.00 46.19 43.10 3dxj s LEU 1065CO 0.00 -0.76 0.84 -0.89 0.23 0.00 0.00 176.35 175.78 3dxj s THR 1066N -2.54 4.66 0.12 5.49 2.01 -1.26 -4.75 115.64 119.36 3dxj s THR 1066Ca 0.50 0.93 -0.29 0.00 0.31 0.00 0.00 61.69 63.14 3dxj s THR 1066Cb -0.10 -3.69 -0.07 0.00 0.01 0.00 0.00 72.50 68.64 3dxj s THR 1066CO 0.37 -0.49 1.60 1.62 -0.69 0.00 0.00 174.62 177.03 3dxj h VAL 1067N 1.27 0.25 0.15 3.82 3.04 -1.98 2.62 116.25 125.41 3dxj h VAL 1067Ca -0.47 0.00 0.01 0.00 -1.01 0.00 0.00 66.70 65.22 3dxj h VAL 1067Cb 1.18 0.25 -0.03 0.00 -2.01 0.00 0.00 31.29 30.68 3dxj h VAL 1067CO 0.63 0.00 -0.39 0.25 -1.01 0.00 0.00 177.57 177.05 3dxj h LEU 1068N -0.54 -1.16 -0.12 3.16 5.85 -1.99 0.25 115.31 120.76 3dxj h LEU 1068Ca 0.05 0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.89 3dxj h LEU 1068Cb 0.61 0.42 -0.02 0.00 0.37 0.00 0.00 40.66 42.04 3dxj h LEU 1068CO -0.26 -0.43 -0.08 -0.33 -0.34 0.00 0.00 178.44 177.00 3dxj h GLU 1069N -0.60 -0.01 -0.97 1.25 5.08 -1.55 -0.85 114.58 116.94 3dxj h GLU 1069Ca -0.01 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.46 3dxj h GLU 1069Cb 0.58 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.71 3dxj h GLU 1069CO -0.18 -0.00 -0.50 0.98 -1.00 0.00 0.00 179.01 178.30 3dxj n TYR 1070N -3.27 -0.26 0.00 4.33 4.19 0.87 -2.32 117.16 120.69 3dxj n TYR 1070Ca 0.00 1.20 0.00 0.00 3.31 0.00 0.00 57.90 62.41 3dxj n TYR 1070Cb 0.04 -0.68 0.00 0.00 0.49 0.00 0.00 39.34 39.19 3dxj n TYR 1070CO 0.00 0.00 0.00 0.34 0.91 0.00 0.00 176.86 178.11 3dxj n PHE 1071N -5.28 0.00 -0.05 2.98 -0.00 0.84 -2.56 117.46 113.39 3dxj n PHE 1071Ca 0.05 0.00 0.01 0.00 -0.00 0.00 0.00 57.45 57.51 3dxj n PHE 1071Cb 0.30 0.00 0.02 0.00 -0.00 0.00 0.00 39.48 39.80 3dxj n PHE 1071CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.76 175.87 3dxj n ILE 1072N -0.52 -0.05 0.03 -2.13 5.41 -0.80 -0.08 119.36 121.21 3dxj n ILE 1072Ca 0.00 0.29 -0.05 0.00 1.00 0.00 0.00 62.75 64.00 3dxj n ILE 1072Cb 0.00 -0.41 -0.03 0.00 -0.71 0.00 0.00 39.64 38.49 3dxj n ILE 1072CO 0.00 0.00 0.00 -1.28 0.00 0.00 0.00 176.55 175.27 3dxj h SER 1073N 0.00 -0.50 0.00 4.38 0.87 -1.18 -3.22 113.55 113.91 3dxj h SER 1073Ca 0.06 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 3dxj h SER 1073Cb 0.10 0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.25 3dxj h SER 1073CO -0.13 -0.17 0.00 -1.54 -0.53 0.00 0.00 176.83 174.46 3dxj n SER 1074N -3.38 0.00 -0.29 6.23 3.41 0.88 -1.64 113.62 118.83 3dxj n SER 1074Ca -0.02 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.50 3dxj n SER 1074Cb 0.12 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.03 3dxj n SER 1074CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 3dxj h HIS 1075N 0.00 -1.46 -0.45 7.33 3.86 -1.72 1.37 115.15 124.07 3dxj h HIS 1075Ca 0.00 0.10 -0.02 0.00 -1.16 0.00 0.00 60.37 59.29 3dxj h HIS 1075Cb 0.00 0.74 -0.02 0.00 1.06 0.00 0.00 27.41 29.19 3dxj h HIS 1075CO 0.00 -0.41 0.19 0.78 0.86 0.00 0.00 177.93 179.35 3dxj h GLY 1076N -0.15 0.68 0.16 2.45 0.00 -1.50 -0.81 103.07 103.91 3dxj h GLY 1076Ca 0.19 -0.32 0.12 0.00 0.00 0.00 0.00 47.33 47.33 3dxj h GLY 1076CO -0.80 0.31 0.18 0.00 0.00 0.00 0.00 176.54 176.23 3dxj h ALA 1077N 1.58 0.83 -1.99 3.60 0.00 0.15 1.59 119.26 125.01 3dxj h ALA 1077Ca 0.16 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3dxj h ALA 1077Cb 0.11 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3dxj h ALA 1077CO -0.02 -0.28 0.00 0.54 0.00 0.00 0.00 179.25 179.50 3dxj n ARG 1078N -5.09 0.00 -0.35 0.00 5.12 0.14 -0.86 116.66 115.62 3dxj n ARG 1078Ca 0.11 0.17 0.30 0.00 -1.93 0.00 0.00 57.85 56.49 3dxj n ARG 1078Cb 0.36 -1.14 0.49 0.00 -1.16 0.00 0.00 32.46 31.01 3dxj n ARG 1078CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 3dxj n LYS 1079N -1.00 -0.02 0.00 5.56 5.02 -0.76 0.23 118.16 127.18 3dxj n LYS 1079Ca 0.00 0.89 0.00 0.00 -2.02 0.00 0.00 58.31 57.18 3dxj n LYS 1079Cb 0.00 -1.77 0.00 0.00 -0.02 0.00 0.00 35.03 33.24 3dxj n LYS 1079CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dxj n GLY 1080N -1.40 -2.27 0.39 0.72 0.00 0.54 0.14 105.19 103.31 3dxj n GLY 1080Ca 0.29 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.51 3dxj n GLY 1080CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3dxj h GLY 1081N 0.00 0.00 0.00 -0.02 0.00 0.18 -2.25 103.07 100.98 3dxj h GLY 1081Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3dxj h GLY 1081CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 3dxj n ALA 1082N -2.25 0.00 -0.13 3.60 0.00 0.62 -2.96 120.51 119.39 3dxj n ALA 1082Ca 0.07 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.48 3dxj n ALA 1082Cb 0.67 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.09 3dxj n ALA 1082CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3dxj n ASP 1083N -0.35 -0.32 -0.11 0.00 -0.08 0.37 0.03 116.55 116.08 3dxj n ASP 1083Ca 0.00 0.54 -0.12 0.00 -1.51 0.00 0.00 54.79 53.69 3dxj n ASP 1083Cb 0.00 -0.07 -0.07 0.00 2.34 0.00 0.00 41.12 43.32 3dxj n ASP 1083CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3dxj h THR 1084N 0.00 0.06 -0.59 5.18 1.03 -1.55 -2.24 112.91 114.79 3dxj h THR 1084Ca 0.05 0.00 0.13 0.00 -0.01 0.00 0.00 66.41 66.58 3dxj h THR 1084Cb 0.12 0.06 -0.11 0.00 -1.07 0.00 0.00 68.15 67.15 3dxj h THR 1084CO -0.28 0.00 -0.10 0.00 -0.01 0.00 0.00 175.52 175.12 3dxj n ALA 1085N -3.06 0.19 -0.03 0.00 0.00 0.10 0.61 120.51 118.32 3dxj n ALA 1085Ca -0.02 0.65 0.21 0.00 0.00 0.00 0.00 53.44 54.27 3dxj n ALA 1085Cb 0.35 -0.41 0.68 0.00 0.00 0.00 0.00 19.45 20.07 3dxj n ALA 1085CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3dxj h LEU 1086N 0.00 0.03 0.00 0.00 3.38 -1.47 0.52 115.31 117.78 3dxj h LEU 1086Ca 0.31 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.87 3dxj h LEU 1086Cb 0.52 -0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.20 3dxj h LEU 1086CO -0.60 0.02 -2.42 0.54 0.09 0.00 0.00 178.44 176.07 3dxj n ARG 1087N -4.37 0.57 -0.33 1.13 1.74 0.20 -3.76 116.66 111.85 3dxj n ARG 1087Ca 0.11 0.20 0.01 0.00 -0.77 0.00 0.00 57.85 57.40 3dxj n ARG 1087Cb 0.64 -1.45 0.15 0.00 -1.02 0.00 0.00 32.46 30.79 3dxj n ARG 1087CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3dxj h THR 1088N -0.54 1.04 0.60 0.55 1.03 -1.04 0.22 112.91 114.79 3dxj h THR 1088Ca -0.61 -0.35 -0.03 0.00 -0.01 0.00 0.00 66.41 65.42 3dxj h THR 1088Cb 1.69 -0.06 0.00 0.00 -1.07 0.00 0.00 68.15 68.71 3dxj h THR 1088CO -0.27 0.18 -0.32 0.00 -0.01 0.00 0.00 175.52 175.11 3dxj h ALA 1089N 1.42 -0.86 -1.45 0.00 0.00 -0.14 -3.46 119.26 114.77 3dxj h ALA 1089Ca 0.39 -0.18 0.11 0.00 0.00 0.00 0.00 54.91 55.23 3dxj h ALA 1089Cb 0.19 0.37 -0.26 0.00 0.00 0.00 0.00 17.79 18.08 3dxj h ALA 1089CO -0.18 -0.99 0.60 0.34 0.00 0.00 0.00 179.25 179.03 3dxj s ASP 1090N -4.45 -0.32 0.00 0.00 -1.08 0.05 -5.01 116.67 105.85 3dxj s ASP 1090Ca -0.17 0.50 0.00 0.00 -0.52 0.00 0.00 52.55 52.36 3dxj s ASP 1090Cb 0.04 0.47 0.00 0.00 -1.46 0.00 0.00 42.92 41.97 3dxj s ASP 1090CO 0.62 -0.19 0.00 -0.24 0.52 0.00 0.00 175.17 175.89 3dxj n SER 1091N 1.42 0.00 -0.64 -0.34 2.88 -1.07 -3.79 113.62 112.07 3dxj n SER 1091Ca -0.10 -0.17 0.50 0.00 -1.33 0.00 0.00 58.87 57.78 3dxj n SER 1091Cb 0.57 0.00 0.81 0.00 -0.75 0.00 0.00 64.21 64.84 3dxj n SER 1091CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 3dxj h GLY 1092N 0.00 0.03 -0.07 0.46 0.00 -1.91 0.24 103.07 101.83 3dxj h GLY 1092Ca 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.34 3dxj h GLY 1092CO 0.00 -0.01 -0.03 2.98 0.00 0.00 0.00 176.54 179.48 3dxj n TYR 1093N -3.99 -0.02 0.00 5.60 9.36 -1.26 0.14 117.16 126.99 3dxj n TYR 1093Ca 0.41 0.08 0.00 0.00 3.32 0.00 0.00 57.90 61.71 3dxj n TYR 1093Cb 1.88 -0.51 0.00 0.00 -0.63 0.00 0.00 39.34 40.08 3dxj n TYR 1093CO 0.00 0.00 0.00 -0.11 0.22 0.00 0.00 176.86 176.97 3dxj n LEU 1094N -4.09 0.00 -0.26 2.98 7.94 0.85 -2.47 117.00 121.96 3dxj n LEU 1094Ca 0.00 0.64 -0.06 0.00 -1.11 0.00 0.00 56.01 55.48 3dxj n LEU 1094Cb 0.02 -0.14 -0.06 0.00 0.53 0.00 0.00 43.42 43.78 3dxj n LEU 1094CO -0.01 -0.14 0.30 0.41 -1.11 0.00 0.00 177.39 176.84 3dxj n THR 1095N -1.06 -0.41 -0.18 1.96 -1.04 0.38 0.91 114.28 114.84 3dxj n THR 1095Ca 0.00 1.48 -0.05 0.00 -2.04 0.00 0.00 64.05 63.44 3dxj n THR 1095Cb 0.00 -1.83 -0.04 0.00 -1.82 0.00 0.00 70.33 66.63 3dxj n THR 1095CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 3dxj n ARG 1096N -4.77 -0.19 0.00 -2.82 0.63 0.26 0.68 116.66 110.45 3dxj n ARG 1096Ca 0.02 0.78 0.00 0.00 -0.92 0.00 0.00 57.85 57.73 3dxj n ARG 1096Cb 0.17 -1.15 0.00 0.00 0.45 0.00 0.00 32.46 31.92 3dxj n ARG 1096CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 3dxj n LYS 1097N -4.18 0.00 -0.30 -0.14 4.76 0.26 -0.84 118.16 117.73 3dxj n LYS 1097Ca 0.01 0.69 0.00 0.00 -2.87 0.00 0.00 58.31 56.15 3dxj n LYS 1097Cb 0.11 -1.37 0.05 0.00 -1.84 0.00 0.00 35.03 31.98 3dxj n LYS 1097CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3dxj n LEU 1098N -2.17 -0.47 0.02 -0.35 4.32 0.56 0.38 117.00 119.29 3dxj n LEU 1098Ca 0.00 1.38 -0.07 0.00 -0.02 0.00 0.00 56.01 57.29 3dxj n LEU 1098Cb 0.00 -0.34 -0.05 0.00 -1.62 0.00 0.00 43.42 41.42 3dxj n LEU 1098CO 0.00 -1.25 0.50 0.58 -1.22 0.00 0.00 177.39 176.00 3dxj h VAL 1099N 0.00 0.00 -1.12 4.08 2.07 0.94 1.92 116.25 124.14 3dxj h VAL 1099Ca 0.30 0.00 0.32 0.00 0.82 0.00 0.00 66.70 68.13 3dxj h VAL 1099Cb 0.50 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.17 3dxj h VAL 1099CO -0.79 0.00 0.73 0.44 0.02 0.00 0.00 177.57 177.97 3dxj h ASP 1100N -0.30 0.35 0.94 0.57 3.32 0.12 0.15 116.42 121.57 3dxj h ASP 1100Ca 0.01 0.09 -0.21 0.00 0.02 0.00 0.00 57.03 56.94 3dxj h ASP 1100Cb 0.33 0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.89 3dxj h ASP 1100CO -0.18 0.01 -1.11 0.58 -1.72 0.00 0.00 179.24 176.82 3dxj h VAL 1101N 0.28 1.30 0.00 -1.35 2.07 0.35 -3.40 116.25 115.51 3dxj h VAL 1101Ca 0.65 -2.98 0.00 0.00 0.82 0.00 0.00 66.70 65.19 3dxj h VAL 1101Cb 1.84 2.63 0.00 0.00 -1.52 0.00 0.00 31.29 34.24 3dxj h VAL 1101CO -0.30 0.74 -0.02 0.35 0.02 0.00 0.00 177.57 178.37 3dxj n THR 1102N -3.23 0.92 0.24 2.57 -2.24 0.62 -4.82 114.28 108.34 3dxj n THR 1102Ca -0.04 -0.98 -0.15 0.00 -2.27 0.00 0.00 64.05 60.61 3dxj n THR 1102Cb 0.93 0.48 -0.08 0.00 -2.10 0.00 0.00 70.33 69.56 3dxj n THR 1102CO 0.00 0.00 0.00 1.12 -0.57 0.00 0.00 175.07 175.62 3dxj h HIS 1103N 0.00 -0.74 -1.01 4.78 -0.00 -0.99 -3.05 115.15 114.14 3dxj h HIS 1103Ca 0.00 -0.00 0.24 0.00 -0.00 0.00 0.00 60.37 60.60 3dxj h HIS 1103Cb 0.68 0.27 -0.11 0.00 -0.00 0.00 0.00 27.41 28.26 3dxj h HIS 1103CO 0.00 -0.42 0.62 1.05 -0.00 0.00 0.00 177.93 179.19 3dxj h GLU 1104N -0.66 0.54 -6.23 5.12 9.09 -1.88 -3.40 114.58 117.17 3dxj h GLU 1104Ca -0.04 -0.03 -0.61 0.00 0.05 0.00 0.00 59.36 58.73 3dxj h GLU 1104Cb 0.56 -0.12 0.01 0.00 -1.65 0.00 0.00 28.75 27.55 3dxj h GLU 1104CO 0.01 0.36 1.17 -0.89 0.05 0.00 0.00 179.01 179.71 3dxj n ILE 1105N -4.74 0.54 -4.11 -1.06 5.41 -1.15 -4.76 119.36 109.48 3dxj n ILE 1105Ca 0.25 -0.15 -0.08 0.00 1.00 0.00 0.00 62.75 63.77 3dxj n ILE 1105Cb 0.74 -1.94 -0.10 0.00 -0.71 0.00 0.00 39.64 37.63 3dxj n ILE 1105CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 3dxj s VAL 1106N 4.78 0.23 -0.37 1.39 1.01 -1.25 -2.03 120.40 124.16 3dxj s VAL 1106Ca 0.95 -1.85 -0.29 0.00 0.00 0.00 0.00 61.98 60.79 3dxj s VAL 1106Cb -0.66 -1.67 0.00 0.00 0.00 0.00 0.00 36.38 34.04 3dxj s VAL 1106CO 0.50 -0.85 1.48 -0.69 0.00 0.00 0.00 175.10 175.54 3dxj s VAL 1107N -3.93 3.84 -0.10 2.92 1.01 -0.65 -1.08 120.40 122.40 3dxj s VAL 1107Ca 0.12 0.88 -0.05 0.00 0.00 0.00 0.00 61.98 62.92 3dxj s VAL 1107Cb 0.08 -4.06 -0.05 0.00 0.00 0.00 0.00 36.38 32.35 3dxj s VAL 1107CO -0.06 -0.63 -0.13 0.54 0.00 0.00 0.00 175.10 174.82 3dxj n ARG 1108N 8.01 0.22 -2.48 2.72 1.74 -0.80 -0.18 116.66 125.89 3dxj n ARG 1108Ca 0.18 0.10 -0.14 0.00 -0.77 0.00 0.00 57.85 57.21 3dxj n ARG 1108Cb 0.47 -0.88 0.04 0.00 -1.02 0.00 0.00 32.46 31.08 3dxj n ARG 1108CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3dxj n GLU 1109N -3.45 0.76 -0.08 5.56 1.02 -1.23 -4.83 120.64 118.39 3dxj n GLU 1109Ca -0.20 -2.19 -0.12 0.00 -0.02 0.00 0.00 57.16 54.62 3dxj n GLU 1109Cb 0.65 -0.10 -0.04 0.00 -0.02 0.00 0.00 31.44 31.93 3dxj n GLU 1109CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3dxj n ALA 1110N -2.49 1.31 -3.73 0.62 0.00 -1.26 -1.12 120.51 113.84 3dxj n ALA 1110Ca -0.10 -0.75 -0.23 0.00 0.00 0.00 0.00 53.44 52.36 3dxj n ALA 1110Cb 0.42 0.10 -0.17 0.00 0.00 0.00 0.00 19.45 19.80 3dxj n ALA 1110CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3dxj s ASP 1111N -6.25 1.58 0.11 0.00 -1.08 -1.26 -1.82 116.67 107.95 3dxj s ASP 1111Ca -0.26 -0.18 0.24 0.00 -0.52 0.00 0.00 52.55 51.82 3dxj s ASP 1111Cb 0.06 -0.59 0.21 0.00 -1.46 0.00 0.00 42.92 41.13 3dxj s ASP 1111CO 0.37 -0.11 1.19 0.00 0.52 0.00 0.00 175.17 177.15 3dxj n GLY 1113N 1.32 1.52 3.44 0.00 0.00 -1.26 -4.83 105.19 105.38 3dxj n GLY 1113Ca 0.02 0.00 -0.57 0.00 0.00 0.00 0.00 46.02 45.48 3dxj n GLY 1113CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3dxj n THR 1114N -2.00 0.13 -0.04 2.61 5.66 -1.26 -4.81 114.28 114.56 3dxj n THR 1114Ca 0.00 -0.11 -0.04 0.00 -3.05 0.00 0.00 64.05 60.85 3dxj n THR 1114Cb 0.00 -1.06 0.18 0.00 -1.55 0.00 0.00 70.33 67.90 3dxj n THR 1114CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 175.07 172.73 3dxj h THR 1115N 6.57 1.25 -4.54 1.09 1.35 -1.94 -3.44 112.91 113.25 3dxj h THR 1115Ca -0.25 -1.12 -0.48 0.00 -0.55 0.00 0.00 66.41 64.01 3dxj h THR 1115Cb 1.36 1.11 0.09 0.00 -1.73 0.00 0.00 68.15 68.98 3dxj h THR 1115CO 1.03 0.37 0.41 0.54 -0.25 0.00 0.00 175.52 177.62 3dxj s ASN 1116N -6.73 4.80 0.00 5.36 4.22 -1.26 -5.07 114.94 116.25 3dxj s ASN 1116Ca -0.08 0.93 0.00 0.00 -2.14 0.00 0.00 52.86 51.57 3dxj s ASN 1116Cb 0.14 -1.54 0.00 0.00 1.28 0.00 0.00 41.25 41.13 3dxj s ASN 1116CO 0.80 -1.73 0.00 0.00 -2.04 0.00 0.00 177.10 174.13 3dxj n TYR 1117N -3.23 0.00 -4.01 1.54 0.18 -1.26 -4.87 117.16 105.51 3dxj n TYR 1117Ca 0.08 0.00 -0.08 0.00 1.88 0.00 0.00 57.90 59.78 3dxj n TYR 1117Cb 0.59 0.00 -0.09 0.00 -0.38 0.00 0.00 39.34 39.46 3dxj n TYR 1117CO 0.00 0.00 0.00 0.96 -2.08 0.00 0.00 176.86 175.74 3dxj s ILE 1118N -0.79 0.19 -0.22 -3.48 -4.36 -0.92 -4.84 121.20 106.78 3dxj s ILE 1118Ca 0.00 -1.53 0.01 0.00 -0.26 0.00 0.00 60.65 58.87 3dxj s ILE 1118Cb 0.00 -1.35 0.05 0.00 1.25 0.00 0.00 42.46 42.41 3dxj s ILE 1118CO 0.00 -0.85 -0.08 -0.44 0.24 0.00 0.00 174.94 173.81 3dxj s SER 1119N -2.75 3.71 -0.04 4.36 0.01 -1.23 -0.43 113.70 117.33 3dxj s SER 1119Ca 0.04 -1.07 -0.30 0.00 1.31 0.00 0.00 55.95 55.93 3dxj s SER 1119Cb 0.05 -1.24 -0.03 0.00 0.21 0.00 0.00 66.02 65.01 3dxj s SER 1119CO -0.09 -0.19 1.13 -0.69 0.41 0.00 0.00 173.24 173.80 3dxj s VAL 1120N 1.37 4.43 0.90 3.43 1.01 -0.27 -4.39 120.40 126.88 3dxj s VAL 1120Ca -0.04 1.73 -0.14 0.00 0.00 0.00 0.00 61.98 63.53 3dxj s VAL 1120Cb -0.18 -4.11 0.14 0.00 0.00 0.00 0.00 36.38 32.23 3dxj s VAL 1120CO -0.07 0.04 1.22 -2.16 0.00 0.00 0.00 175.10 174.13 3dxj s PRO 1121N 1.84 1.17 0.00 2.72 0.04 -1.26 -1.23 135.00 138.28 3dxj s PRO 1121Ca 0.54 -0.07 0.00 0.00 0.04 0.00 0.00 61.00 61.51 3dxj s PRO 1121Cb -0.23 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.43 3dxj s PRO 1121CO 0.23 -2.11 0.35 1.28 0.04 0.00 0.00 177.00 176.79 3dxj n LEU 1122N -3.63 0.37 -4.21 -3.56 4.77 -0.89 -4.94 117.00 104.91 3dxj n LEU 1122Ca 0.11 -0.37 -0.13 0.00 -0.03 0.00 0.00 56.01 55.58 3dxj n LEU 1122Cb 0.60 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.59 3dxj n LEU 1122CO 0.52 0.09 -0.40 -0.36 -1.33 0.00 0.00 177.39 175.91 3dxj s PHE 1123N -0.11 1.12 -0.08 -1.77 0.08 -1.26 0.22 117.98 116.18 3dxj s PHE 1123Ca 0.00 -0.78 0.01 0.00 0.12 0.00 0.00 56.93 56.27 3dxj s PHE 1123Cb 0.00 -0.59 0.02 0.00 -0.57 0.00 0.00 43.02 41.88 3dxj s PHE 1123CO 0.00 0.00 -0.07 1.14 -0.10 0.00 0.00 175.22 176.19 3dxj s GLN 1124N -3.59 1.26 -0.00 0.44 -2.07 0.43 -4.86 119.66 111.27 3dxj s GLN 1124Ca 0.13 -0.21 -0.01 0.00 -1.82 0.00 0.00 55.36 53.46 3dxj s GLN 1124Cb 0.02 -1.26 -0.01 0.00 -1.09 0.00 0.00 33.01 30.68 3dxj s GLN 1124CO -0.01 -0.15 0.38 -1.35 -1.32 0.00 0.00 175.29 172.85 3dxj h PRO 1125N 7.62 -0.04 -0.05 9.60 0.11 -1.86 -2.20 132.00 145.19 3dxj h PRO 1125Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3dxj h PRO 1125Cb 1.15 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3dxj h PRO 1125CO 0.42 -0.02 0.00 -3.47 -0.21 0.00 0.00 178.00 174.72 3dxj n ASP 1126N -2.23 0.05 -0.15 -2.05 -0.08 -1.26 -2.30 116.55 108.53 3dxj n ASP 1126Ca -0.00 -1.32 0.15 0.00 -1.51 0.00 0.00 54.79 52.10 3dxj n ASP 1126Cb 0.01 -0.02 0.50 0.00 2.34 0.00 0.00 41.12 43.95 3dxj n ASP 1126CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 3dxj h GLU 1127N 0.02 0.40 -5.38 -0.67 4.39 -1.83 -3.38 114.58 108.14 3dxj h GLU 1127Ca 0.00 -0.02 -0.51 0.00 0.34 0.00 0.00 59.36 59.16 3dxj h GLU 1127Cb 0.02 -0.09 -0.14 0.00 -0.10 0.00 0.00 28.75 28.45 3dxj h GLU 1127CO 0.00 0.27 -0.62 0.14 -1.16 0.00 0.00 179.01 177.64 3dxj s VAL 1128N -5.40 1.46 -0.91 3.13 -7.23 -1.24 -5.01 120.40 105.20 3dxj s VAL 1128Ca -0.08 -2.02 -0.25 0.00 -1.81 0.00 0.00 61.98 57.82 3dxj s VAL 1128Cb 0.21 -2.79 -0.12 0.00 0.56 0.00 0.00 36.38 34.23 3dxj s VAL 1128CO 0.76 -0.05 2.18 -0.89 -0.31 0.00 0.00 175.10 176.79 3dxj s THR 1129N -3.11 3.20 0.00 5.32 2.01 -1.26 -3.69 115.64 118.11 3dxj s THR 1129Ca 0.35 -0.21 0.00 0.00 0.31 0.00 0.00 61.69 62.14 3dxj s THR 1129Cb 0.08 -3.62 0.00 0.00 0.01 0.00 0.00 72.50 68.97 3dxj s THR 1129CO 0.16 -0.40 0.00 -1.14 -0.69 0.00 0.00 174.62 172.55 3dxj n ARG 1130N 8.68 -0.12 -1.18 4.92 3.00 -1.04 -4.94 116.66 125.97 3dxj n ARG 1130Ca 0.44 0.03 -0.33 0.00 -0.00 0.00 0.00 57.85 57.99 3dxj n ARG 1130Cb 0.45 -3.51 0.11 0.00 0.00 0.00 0.00 32.46 29.51 3dxj n ARG 1130CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 3dxj s SER 1131N -2.46 3.88 0.18 6.15 0.15 -0.97 -4.73 113.70 115.90 3dxj s SER 1131Ca 0.00 2.19 -0.06 0.00 0.70 0.00 0.00 55.95 58.78 3dxj s SER 1131Cb 0.00 -2.57 -0.06 0.00 -1.71 0.00 0.00 66.02 61.68 3dxj s SER 1131CO 0.00 -2.46 0.44 -0.22 1.20 0.00 0.00 173.24 172.19 3dxj s LEU 1132N -5.74 4.22 -0.21 3.45 2.96 -1.26 -3.98 118.68 118.12 3dxj s LEU 1132Ca 0.69 0.67 -0.11 0.00 -0.22 0.00 0.00 54.13 55.16 3dxj s LEU 1132Cb -0.24 -3.42 0.07 0.00 0.50 0.00 0.00 46.19 43.10 3dxj s LEU 1132CO 0.51 -0.01 0.50 -0.60 -1.32 0.00 0.00 176.35 175.44 3dxj s ARG 1133N -2.81 0.49 0.64 1.98 3.52 -0.83 -4.93 118.95 117.01 3dxj s ARG 1133Ca 0.43 0.97 -0.18 0.00 -0.13 0.00 0.00 55.73 56.82 3dxj s ARG 1133Cb -0.12 0.10 -0.02 0.00 -1.56 0.00 0.00 34.95 33.35 3dxj s ARG 1133CO 0.24 -0.17 1.24 -0.11 -0.81 0.00 0.00 175.30 175.70 3dxj n LEU 1134N 4.45 5.64 -4.91 -0.88 7.94 -1.26 0.16 117.00 128.14 3dxj n LEU 1134Ca -0.20 0.83 -0.27 0.00 -1.11 0.00 0.00 56.01 55.26 3dxj n LEU 1134Cb 0.55 -1.53 0.00 0.00 0.53 0.00 0.00 43.42 42.98 3dxj n LEU 1134CO 0.04 -1.13 0.41 -0.13 -1.11 0.00 0.00 177.39 175.46 3dxj s ARG 1135N -3.26 3.46 0.32 1.96 0.52 0.58 -4.71 118.95 117.83 3dxj s ARG 1135Ca 0.81 0.08 -0.28 0.00 -0.52 0.00 0.00 55.73 55.83 3dxj s ARG 1135Cb -0.39 -2.41 -0.09 0.00 0.52 0.00 0.00 34.95 32.58 3dxj s ARG 1135CO 0.41 -0.20 1.10 0.15 0.02 0.00 0.00 175.30 176.78 3dxj s LYS 1136N -4.70 4.46 0.05 3.54 1.02 -1.26 -4.86 119.74 117.99 3dxj s LYS 1136Ca 0.47 1.74 -0.10 0.00 0.02 0.00 0.00 55.97 58.09 3dxj s LYS 1136Cb -0.10 -2.97 -0.03 0.00 -0.52 0.00 0.00 37.83 34.20 3dxj s LYS 1136CO 0.43 0.06 1.18 0.00 -0.92 0.00 0.00 175.35 176.11 3dxj h ARG 1137N 3.36 -0.07 -0.36 1.68 3.08 -1.98 -1.23 114.38 118.86 3dxj h ARG 1137Ca -0.47 0.00 0.03 0.00 0.07 0.00 0.00 59.98 59.61 3dxj h ARG 1137Cb 1.21 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 31.24 3dxj h ARG 1137CO 0.65 -0.05 -0.21 0.00 -1.07 0.00 0.00 179.97 179.29 3dxj n ALA 1138N -2.94 -0.23 0.04 0.04 0.00 -1.26 0.13 120.51 116.29 3dxj n ALA 1138Ca -0.00 0.31 -0.14 0.00 0.00 0.00 0.00 53.44 53.60 3dxj n ALA 1138Cb 0.10 -0.01 -0.09 0.00 0.00 0.00 0.00 19.45 19.45 3dxj n ALA 1138CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3dxj h ASP 1139N 0.00 -1.49 -0.07 0.00 5.19 -1.72 0.94 116.42 119.27 3dxj h ASP 1139Ca 0.06 0.17 0.04 0.00 -0.62 0.00 0.00 57.03 56.67 3dxj h ASP 1139Cb 0.15 0.57 -0.06 0.00 0.18 0.00 0.00 39.33 40.17 3dxj h ASP 1139CO -0.34 -0.46 -0.38 0.40 -3.12 0.00 0.00 179.24 175.34 3dxj h ILE 1140N -0.59 0.20 -0.20 0.35 2.04 0.20 -0.41 117.51 119.11 3dxj h ILE 1140Ca 0.01 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.93 3dxj h ILE 1140Cb 0.64 0.20 -0.07 0.00 -0.74 0.00 0.00 36.82 36.85 3dxj h ILE 1140CO -0.33 0.00 -0.30 -0.33 0.00 0.00 0.00 178.15 177.19 3dxj h GLU 1141N -0.49 -0.32 -1.35 2.37 5.08 0.15 0.74 114.58 120.75 3dxj h GLU 1141Ca 0.07 0.02 0.39 0.00 -1.00 0.00 0.00 59.36 58.84 3dxj h GLU 1141Cb 0.61 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.87 3dxj h GLU 1141CO -0.34 -0.22 0.96 0.00 -1.00 0.00 0.00 179.01 178.41 3dxj h ALA 1142N 0.57 3.18 0.00 3.43 0.00 0.18 0.67 119.26 127.29 3dxj h ALA 1142Ca 0.12 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 3dxj h ALA 1142Cb 0.52 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3dxj h ALA 1142CO -0.38 -1.59 -1.28 0.41 0.00 0.00 0.00 179.25 176.41 3dxj n GLY 1143N -1.76 -1.29 0.00 0.00 0.00 0.24 -1.93 105.19 100.45 3dxj n GLY 1143Ca 0.30 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3dxj n GLY 1143CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3dxj n LEU 1144N -2.79 0.04 -4.60 0.99 4.77 0.02 -4.88 117.00 110.55 3dxj n LEU 1144Ca -0.06 -0.46 -0.39 0.00 -0.03 0.00 0.00 56.01 55.07 3dxj n LEU 1144Cb 0.73 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.86 3dxj n LEU 1144CO 0.42 0.01 0.51 0.00 -1.33 0.00 0.00 177.39 177.00 3dxj n TYR 1145N -0.84 0.78 -1.74 -1.77 -0.00 -0.04 -1.91 117.16 111.64 3dxj n TYR 1145Ca 0.00 0.47 -0.03 0.00 -0.00 0.00 0.00 57.90 58.34 3dxj n TYR 1145Cb 0.00 -2.15 -0.01 0.00 -0.00 0.00 0.00 39.34 37.19 3dxj n TYR 1145CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 3dxj n GLY 1146N 1.30 -0.10 3.89 2.98 0.00 0.12 -4.85 105.19 108.54 3dxj n GLY 1146Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 3dxj n GLY 1146CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dxj s ARG 1147N -3.54 3.33 -0.23 1.61 1.81 -0.80 -0.75 118.95 120.38 3dxj s ARG 1147Ca 0.00 0.46 -0.07 0.00 -1.72 0.00 0.00 55.73 54.40 3dxj s ARG 1147Cb 0.00 -2.16 -0.03 0.00 -0.45 0.00 0.00 34.95 32.31 3dxj s ARG 1147CO 0.00 -0.61 0.06 0.08 -0.68 0.00 0.00 175.30 174.15 3dxj s VAL 1148N -3.10 4.41 0.13 3.52 1.01 -1.26 0.16 120.40 125.27 3dxj s VAL 1148Ca 0.54 -0.15 -0.31 0.00 0.00 0.00 0.00 61.98 62.06 3dxj s VAL 1148Cb -0.11 -3.04 -0.11 0.00 0.00 0.00 0.00 36.38 33.13 3dxj s VAL 1148CO 0.50 0.38 1.83 -0.11 0.00 0.00 0.00 175.10 177.70 3dxj n LEU 1149N 4.48 4.05 0.15 3.92 7.94 0.84 -1.04 117.00 137.35 3dxj n LEU 1149Ca -0.16 0.99 -0.07 0.00 -1.11 0.00 0.00 56.01 55.66 3dxj n LEU 1149Cb 0.52 -1.55 -0.03 0.00 0.53 0.00 0.00 43.42 42.89 3dxj n LEU 1149CO 0.32 0.18 0.22 0.00 -1.11 0.00 0.00 177.39 177.01 3dxj h ALA 1150N 8.43 -0.54 -2.13 1.96 0.00 -1.12 0.61 119.26 126.47 3dxj h ALA 1150Ca -0.46 -0.10 -0.57 0.00 0.00 0.00 0.00 54.91 53.78 3dxj h ALA 1150Cb 1.22 0.17 -0.10 0.00 0.00 0.00 0.00 17.79 19.08 3dxj h ALA 1150CO 0.95 -0.51 -0.64 1.03 0.00 0.00 0.00 179.25 180.07 3dxj s ARG 1151N -3.07 2.20 1.11 0.00 1.81 -1.26 -4.41 118.95 115.33 3dxj s ARG 1151Ca -0.07 -1.52 -0.13 0.00 -1.72 0.00 0.00 55.73 52.30 3dxj s ARG 1151Cb 0.01 -2.08 0.23 0.00 -0.45 0.00 0.00 34.95 32.66 3dxj s ARG 1151CO 0.20 0.30 0.91 -1.91 -0.68 0.00 0.00 175.30 174.12 3dxj n GLU 1152N -0.89 -1.91 -3.43 3.54 2.13 -1.26 -4.28 120.64 114.54 3dxj n GLU 1152Ca -0.06 -0.52 -0.17 0.00 0.66 0.00 0.00 57.16 57.08 3dxj n GLU 1152Cb 0.60 -2.15 -0.11 0.00 0.27 0.00 0.00 31.44 30.05 3dxj n GLU 1152CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3dxj s VAL 1153N -2.43 -0.39 -0.24 6.31 1.01 -0.37 -4.83 120.40 119.45 3dxj s VAL 1153Ca 0.67 -0.28 -0.25 0.00 0.00 0.00 0.00 61.98 62.11 3dxj s VAL 1153Cb -0.23 -0.84 -0.00 0.00 0.00 0.00 0.00 36.38 35.30 3dxj s VAL 1153CO 0.64 -0.32 0.85 -0.70 0.00 0.00 0.00 175.10 175.57 3dxj s GLU 1154N 2.37 4.19 0.03 2.72 2.56 -1.26 0.13 118.70 129.44 3dxj s GLU 1154Ca 0.09 0.99 -0.23 0.00 0.00 0.00 0.00 54.97 55.81 3dxj s GLU 1154Cb -0.15 -3.64 0.05 0.00 2.00 0.00 0.00 34.13 32.39 3dxj s GLU 1154CO -0.22 -0.52 0.53 0.08 -0.56 0.00 0.00 175.26 174.57 3dxj s VAL 1155N 2.86 0.03 -0.99 3.70 1.01 0.26 -4.94 120.40 122.32 3dxj s VAL 1155Ca 0.36 -0.21 -0.03 0.00 0.00 0.00 0.00 61.98 62.09 3dxj s VAL 1155Cb -0.15 -0.95 0.03 0.00 0.00 0.00 0.00 36.38 35.31 3dxj s VAL 1155CO 0.07 -0.12 0.07 0.18 0.00 0.00 0.00 175.10 175.31 3dxj n LEU 1156N 0.56 -0.57 -0.13 3.92 4.77 -1.26 0.43 117.00 124.72 3dxj n LEU 1156Ca -0.19 -0.78 -0.02 0.00 -0.03 0.00 0.00 56.01 55.00 3dxj n LEU 1156Cb 0.59 -0.98 -0.01 0.00 -2.33 0.00 0.00 43.42 40.70 3dxj n LEU 1156CO 0.20 0.24 -0.02 0.61 -1.33 0.00 0.00 177.39 177.10 3dxj n GLY 1157N -1.75 0.35 2.93 -0.72 0.00 -1.26 -4.97 105.19 99.77 3dxj n GLY 1157Ca -0.15 -0.06 -0.18 0.00 0.00 0.00 0.00 46.02 45.64 3dxj n GLY 1157CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dxj s VAL 1158N -1.53 0.49 0.06 1.61 0.11 1.47 -5.15 120.40 117.45 3dxj s VAL 1158Ca 0.00 -0.18 0.00 0.00 -2.93 0.00 0.00 61.98 58.87 3dxj s VAL 1158Cb 0.00 -0.47 -0.04 0.00 -1.53 0.00 0.00 36.38 34.34 3dxj s VAL 1158CO 0.00 0.18 0.20 0.00 -3.33 0.00 0.00 175.10 172.15 3dxj s ARG 1159N 0.38 3.41 -0.53 1.54 1.70 -1.25 0.92 118.95 125.13 3dxj s ARG 1159Ca -0.05 -0.45 0.01 0.00 -0.47 0.00 0.00 55.73 54.77 3dxj s ARG 1159Cb -0.08 -3.02 0.14 0.00 -0.57 0.00 0.00 34.95 31.41 3dxj s ARG 1159CO -0.00 0.61 0.30 -0.51 -1.08 0.00 0.00 175.30 174.62 3dxj s LEU 1160N -2.50 4.82 -0.04 -1.89 1.43 0.35 -4.86 118.68 115.98 3dxj s LEU 1160Ca 0.35 -2.77 -0.17 0.00 -1.03 0.00 0.00 54.13 50.51 3dxj s LEU 1160Cb -0.13 -1.74 -0.08 0.00 0.03 0.00 0.00 46.19 44.27 3dxj s LEU 1160CO 0.28 -0.33 0.49 -1.84 0.23 0.00 0.00 176.35 175.17 3dxj n GLU 1161N 3.52 0.00 -2.56 1.70 0.28 -1.26 -1.24 120.64 121.08 3dxj n GLU 1161Ca 0.05 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.63 3dxj n GLU 1161Cb 0.36 -0.62 -0.03 0.00 1.43 0.00 0.00 31.44 32.58 3dxj n GLU 1161CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 177.13 175.14 3dxj s GLU 1162N 0.25 3.42 0.00 3.44 -1.05 -1.26 -2.20 118.70 121.30 3dxj s GLU 1162Ca 0.39 0.15 0.00 0.00 -0.15 0.00 0.00 54.97 55.36 3dxj s GLU 1162Cb -0.55 -4.06 0.00 0.00 -0.44 0.00 0.00 34.13 29.08 3dxj s GLU 1162CO 0.26 -1.81 0.00 0.41 0.95 0.00 0.00 175.26 175.06 3dxj n GLY 1163N 5.15 -0.43 3.73 -3.83 0.00 0.21 -4.78 105.19 105.24 3dxj n GLY 1163Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 3dxj n GLY 1163CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3dxj s ARG 1164N 0.00 4.70 0.37 1.61 3.52 -0.93 -4.61 118.95 123.61 3dxj s ARG 1164Ca 0.00 1.43 -0.23 0.00 -0.13 0.00 0.00 55.73 56.80 3dxj s ARG 1164Cb 0.00 -3.37 -0.10 0.00 -1.56 0.00 0.00 34.95 29.92 3dxj s ARG 1164CO 0.00 0.23 0.93 0.71 -0.81 0.00 0.00 175.30 176.37 3dxj s TYR 1165N -0.06 3.50 -0.98 5.12 1.51 -1.26 -0.11 117.35 125.07 3dxj s TYR 1165Ca 0.46 1.67 -0.20 0.00 -1.01 0.00 0.00 57.07 57.99 3dxj s TYR 1165Cb -0.23 -2.87 0.11 0.00 -0.11 0.00 0.00 41.96 38.86 3dxj s TYR 1165CO 0.30 0.06 1.26 -0.51 -1.11 0.00 0.00 175.55 175.54 3dxj s LEU 1166N -2.62 4.53 1.15 -1.29 1.43 0.41 -4.90 118.68 117.39 3dxj s LEU 1166Ca 0.56 -1.91 -0.14 0.00 -1.03 0.00 0.00 54.13 51.61 3dxj s LEU 1166Cb -0.14 -2.46 0.23 0.00 0.03 0.00 0.00 46.19 43.85 3dxj s LEU 1166CO 0.18 -1.19 0.72 -0.24 0.23 0.00 0.00 176.35 176.05 3dxj n SER 1167N 7.29 -1.85 0.29 2.29 2.88 -1.26 0.15 113.62 123.42 3dxj n SER 1167Ca 0.28 -0.11 -0.16 0.00 -1.33 0.00 0.00 58.87 57.55 3dxj n SER 1167Cb 0.49 -1.18 -0.08 0.00 -0.75 0.00 0.00 64.21 62.69 3dxj n SER 1167CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 3dxj h MET 1168N -2.46 -0.68 -0.24 -1.46 4.05 -1.98 -3.01 114.93 109.15 3dxj h MET 1168Ca -0.58 0.05 0.06 0.00 -0.28 0.00 0.00 59.70 58.94 3dxj h MET 1168Cb 1.34 0.15 -0.07 0.00 -0.80 0.00 0.00 31.60 32.22 3dxj h MET 1168CO 0.45 -0.42 -0.34 -0.44 0.23 0.00 0.00 176.91 176.39 3dxj h ASP 1169N -0.80 -1.09 -0.77 1.39 3.32 -2.00 -1.85 116.42 114.62 3dxj h ASP 1169Ca -0.07 0.17 0.10 0.00 0.02 0.00 0.00 57.03 57.25 3dxj h ASP 1169Cb 0.58 0.48 -0.11 0.00 0.22 0.00 0.00 39.33 40.50 3dxj h ASP 1169CO 0.12 -0.36 -0.36 0.47 -1.72 0.00 0.00 179.24 177.39 3dxj n ASP 1170N -5.41 -0.62 0.06 6.45 8.00 -1.18 0.40 116.55 124.24 3dxj n ASP 1170Ca -0.02 1.35 -0.13 0.00 0.71 0.00 0.00 54.79 56.71 3dxj n ASP 1170Cb 0.34 -0.26 -0.08 0.00 -0.02 0.00 0.00 41.12 41.10 3dxj n ASP 1170CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3dxj h VAL 1171N 0.00 0.00 -0.71 2.53 2.07 -1.21 -1.02 116.25 117.91 3dxj h VAL 1171Ca 0.21 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.79 3dxj h VAL 1171Cb 0.40 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.09 3dxj h VAL 1171CO -0.75 0.00 -0.42 1.41 0.02 0.00 0.00 177.57 177.83 3dxj n HIS 1172N -4.87 -0.31 -0.03 1.57 8.25 0.16 0.39 115.22 120.39 3dxj n HIS 1172Ca -0.06 0.89 -0.01 0.00 -0.26 0.00 0.00 57.72 58.28 3dxj n HIS 1172Cb 0.32 -0.55 -0.01 0.00 1.12 0.00 0.00 29.99 30.88 3dxj n HIS 1172CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 3dxj n LEU 1173N -4.64 -0.07 -0.33 2.41 7.94 -0.19 0.20 117.00 122.32 3dxj n LEU 1173Ca 0.01 0.87 -0.05 0.00 -1.11 0.00 0.00 56.01 55.74 3dxj n LEU 1173Cb 0.18 -0.39 -0.00 0.00 0.53 0.00 0.00 43.42 43.74 3dxj n LEU 1173CO -0.11 -0.47 0.57 -0.07 -1.11 0.00 0.00 177.39 176.20 3dxj h LEU 1174N 0.00 -1.54 -0.71 -1.96 3.38 0.71 1.77 115.31 116.96 3dxj h LEU 1174Ca 0.01 0.29 0.11 0.00 0.09 0.00 0.00 57.88 58.38 3dxj h LEU 1174Cb 0.03 0.76 -0.12 0.00 0.09 0.00 0.00 40.66 41.41 3dxj h LEU 1174CO -0.06 -0.29 -0.40 0.40 0.09 0.00 0.00 178.44 178.18 3dxj h ILE 1175N -0.07 0.09 -0.52 1.22 2.04 0.52 1.07 117.51 121.87 3dxj h ILE 1175Ca 0.27 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.22 3dxj h ILE 1175Cb 0.55 0.09 -0.07 0.00 -0.74 0.00 0.00 36.82 36.65 3dxj h ILE 1175CO -0.88 0.00 0.09 0.50 0.00 0.00 0.00 178.15 177.86 3dxj h LYS 1176N -0.14 0.22 -0.90 2.37 3.64 1.38 -2.42 116.57 120.72 3dxj h LYS 1176Ca 0.24 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.66 3dxj h LYS 1176Cb 0.56 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.27 3dxj h LYS 1176CO -0.78 0.14 0.58 0.00 -2.27 0.00 0.00 179.45 177.12 3dxj h ALA 1177N 1.42 1.23 0.00 5.00 0.00 0.90 -1.74 119.26 126.06 3dxj h ALA 1177Ca 0.26 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 3dxj h ALA 1177Cb 0.37 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3dxj h ALA 1177CO -0.36 0.38 -0.23 0.00 0.00 0.00 0.00 179.25 179.04 3dxj h ALA 1178N 1.40 1.01 -0.27 0.00 0.00 0.04 -2.28 119.26 119.16 3dxj h ALA 1178Ca 0.38 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 3dxj h ALA 1178Cb 0.10 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3dxj h ALA 1178CO -0.15 0.29 -0.20 0.93 0.00 0.00 0.00 179.25 180.12 3dxj h GLU 1179N 0.00 0.49 -1.62 0.00 5.08 -0.94 -0.15 114.58 117.44 3dxj h GLU 1179Ca -0.00 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.18 3dxj h GLU 1179Cb 0.77 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 3dxj h GLU 1179CO 0.03 0.67 0.01 0.00 -1.00 0.00 0.00 179.01 178.72 3dxj n ALA 1180N -2.48 3.50 -3.75 3.43 0.00 -0.89 -4.77 120.51 115.55 3dxj n ALA 1180Ca 0.00 -0.06 -0.23 0.00 0.00 0.00 0.00 53.44 53.15 3dxj n ALA 1180Cb 0.37 -1.01 -0.03 0.00 0.00 0.00 0.00 19.45 18.78 3dxj n ALA 1180CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dxj n GLY 1181N 1.09 -0.24 0.17 0.00 0.00 -0.07 -4.79 105.19 101.35 3dxj n GLY 1181Ca 0.01 0.15 0.02 0.00 0.00 0.00 0.00 46.02 46.19 3dxj n GLY 1181CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3dxj n GLU 1182N -3.33 0.89 -3.62 1.61 2.13 -0.99 -5.02 120.64 112.32 3dxj n GLU 1182Ca -0.15 -1.10 0.00 0.00 0.66 0.00 0.00 57.16 56.57 3dxj n GLU 1182Cb 0.40 -1.07 -0.01 0.00 0.27 0.00 0.00 31.44 31.03 3dxj n GLU 1182CO 0.00 0.00 0.00 -1.50 -0.41 0.00 0.00 177.13 175.22 3dxj s ILE 1183N -0.58 0.00 0.00 6.31 1.10 -1.26 -4.87 121.20 121.90 3dxj s ILE 1183Ca 0.05 -0.20 0.00 0.00 -0.51 0.00 0.00 60.65 60.00 3dxj s ILE 1183Cb 0.03 -1.83 0.00 0.00 0.15 0.00 0.00 42.46 40.81 3dxj s ILE 1183CO 0.05 0.00 0.00 0.00 -2.11 0.00 0.00 174.94 172.88 3dxj n GLN 1184N -0.42 0.00 -3.62 3.50 6.02 -1.26 -4.71 117.38 116.89 3dxj n GLN 1184Ca -0.07 0.00 -0.23 0.00 -0.01 0.00 0.00 57.00 56.68 3dxj n GLN 1184Cb 0.62 -0.25 0.00 0.00 1.02 0.00 0.00 30.24 31.63 3dxj n GLN 1184CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3dxj s GLU 1185N -1.29 2.33 -0.23 -1.09 0.41 -1.26 -2.09 118.70 115.49 3dxj s GLU 1185Ca 0.00 -1.82 -0.04 0.00 -0.41 0.00 0.00 54.97 52.70 3dxj s GLU 1185Cb 0.00 -2.29 0.12 0.00 -1.78 0.00 0.00 34.13 30.18 3dxj s GLU 1185CO 0.00 -0.57 0.39 0.08 -0.49 0.00 0.00 175.26 174.67 3dxj s VAL 1186N -2.68 -0.62 -0.27 2.63 1.01 -0.36 -4.82 120.40 115.28 3dxj s VAL 1186Ca 0.44 0.03 -0.29 0.00 0.00 0.00 0.00 61.98 62.16 3dxj s VAL 1186Cb -0.03 -0.75 -0.03 0.00 0.00 0.00 0.00 36.38 35.57 3dxj s VAL 1186CO 0.27 -0.04 1.84 -2.84 0.00 0.00 0.00 175.10 174.33 3dxj s PRO 1187N 2.57 3.43 -0.10 2.72 0.02 -1.26 -1.11 135.00 141.28 3dxj s PRO 1187Ca 0.08 1.63 -0.06 0.00 0.02 0.00 0.00 61.00 62.66 3dxj s PRO 1187Cb -0.14 -4.19 0.03 0.00 0.02 0.00 0.00 34.50 30.22 3dxj s PRO 1187CO -0.15 -1.75 0.24 0.54 -0.33 0.00 0.00 177.00 175.55 3dxj s VAL 1188N 6.70 -0.02 0.15 3.83 0.11 0.43 -0.54 120.40 131.07 3dxj s VAL 1188Ca 0.82 0.08 -0.31 0.00 -2.93 0.00 0.00 61.98 59.64 3dxj s VAL 1188Cb -0.26 -0.35 -0.09 0.00 -1.53 0.00 0.00 36.38 34.15 3dxj s VAL 1188CO 0.34 0.03 1.46 -0.13 -3.33 0.00 0.00 175.10 173.46 3dxj s ARG 1189N 0.72 4.28 0.32 1.54 0.52 -0.20 -2.17 118.95 123.96 3dxj s ARG 1189Ca -0.05 2.21 0.03 0.00 -0.52 0.00 0.00 55.73 57.40 3dxj s ARG 1189Cb -0.06 -3.19 -0.05 0.00 0.52 0.00 0.00 34.95 32.16 3dxj s ARG 1189CO -0.04 -0.48 0.09 0.45 0.02 0.00 0.00 175.30 175.33 3dxj s SER 1190N 0.98 2.06 -0.00 0.23 0.15 -1.26 -4.49 113.70 111.36 3dxj s SER 1190Ca 0.65 -1.44 -0.25 0.00 0.70 0.00 0.00 55.95 55.61 3dxj s SER 1190Cb -0.40 0.12 -0.19 0.00 -1.71 0.00 0.00 66.02 63.84 3dxj s SER 1190CO 0.33 -0.72 1.32 -0.65 1.20 0.00 0.00 173.24 174.72 3dxj h PRO 1191N 2.14 0.06 -0.88 5.44 0.11 -1.91 0.65 132.00 137.61 3dxj h PRO 1191Ca -0.39 -0.03 0.12 0.00 0.11 0.00 0.00 66.00 65.81 3dxj h PRO 1191Cb 1.25 -0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.23 3dxj h PRO 1191CO 0.64 0.49 -0.46 -0.07 -0.21 0.00 0.00 178.00 178.39 3dxj h LEU 1192N -0.37 -1.66 -0.30 2.35 3.38 -1.91 1.16 115.31 117.97 3dxj h LEU 1192Ca 0.01 0.30 0.00 0.00 0.09 0.00 0.00 57.88 58.27 3dxj h LEU 1192Cb 0.47 0.79 0.00 0.00 0.09 0.00 0.00 40.66 42.01 3dxj h LEU 1192CO 0.00 -0.29 -0.00 0.35 0.09 0.00 0.00 178.44 178.60 3dxj n THR 1193N -5.39 0.00 -2.04 0.22 -2.24 -1.17 -4.87 114.28 98.80 3dxj n THR 1193Ca 0.05 -0.08 -0.39 0.00 -2.27 0.00 0.00 64.05 61.37 3dxj n THR 1193Cb 0.35 -0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.39 3dxj n THR 1193CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dxj n GLN 1195N -0.14 3.47 -2.45 0.00 6.02 -1.26 -4.98 117.38 118.03 3dxj n GLN 1195Ca 0.05 -2.77 -0.35 0.00 -0.01 0.00 0.00 57.00 53.93 3dxj n GLN 1195Cb 0.44 -1.82 -0.02 0.00 1.02 0.00 0.00 30.24 29.86 3dxj n GLN 1195CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3dxj s THR 1196N -2.22 3.58 -0.58 5.09 2.01 -1.26 -4.97 115.64 117.29 3dxj s THR 1196Ca 0.43 1.02 -0.28 0.00 0.31 0.00 0.00 61.69 63.17 3dxj s THR 1196Cb 0.31 -3.44 0.02 0.00 0.01 0.00 0.00 72.50 69.41 3dxj s THR 1196CO 0.16 -0.17 1.28 -0.60 -0.69 0.00 0.00 174.62 174.59 3dxj s ARG 1197N -3.12 3.43 -0.44 4.92 3.52 -1.26 -4.04 118.95 121.97 3dxj s ARG 1197Ca 0.67 0.31 0.00 0.00 -0.13 0.00 0.00 55.73 56.58 3dxj s ARG 1197Cb -0.20 -4.06 0.00 0.00 -1.56 0.00 0.00 34.95 29.14 3dxj s ARG 1197CO 0.23 -1.78 0.00 2.48 -0.81 0.00 0.00 175.30 175.42 3dxj n TYR 1198N 8.87 -1.70 -1.23 5.12 0.18 -1.26 -4.79 117.16 122.34 3dxj n TYR 1198Ca 0.10 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.88 3dxj n TYR 1198Cb 0.49 -1.71 0.00 0.00 -0.38 0.00 0.00 39.34 37.74 3dxj n TYR 1198CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3dxj n GLY 1199N -0.60 4.21 3.37 -7.48 0.00 -1.26 -3.37 105.19 100.06 3dxj n GLY 1199Ca -0.06 -0.69 -0.15 0.00 0.00 0.00 0.00 46.02 45.11 3dxj n GLY 1199CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dxj s VAL 1200N -0.13 0.03 0.25 1.61 1.01 -0.24 -4.53 120.40 118.41 3dxj s VAL 1200Ca 0.00 -0.24 -0.11 0.00 0.00 0.00 0.00 61.98 61.63 3dxj s VAL 1200Cb 0.00 -0.78 -0.08 0.00 0.00 0.00 0.00 36.38 35.52 3dxj s VAL 1200CO 0.00 -0.13 0.60 0.00 0.00 0.00 0.00 175.10 175.56 3dxj h GLN 1202N 2.46 0.01 0.05 0.00 4.15 -0.33 -1.41 115.11 120.04 3dxj h GLN 1202Ca -0.47 -0.00 -0.17 0.00 0.77 0.00 0.00 58.65 58.78 3dxj h GLN 1202Cb 1.17 -0.00 0.02 0.00 0.21 0.00 0.00 27.48 28.87 3dxj h GLN 1202CO 0.68 0.01 -0.68 0.87 -1.93 0.00 0.00 178.83 177.77 3dxj h LYS 1203N 0.01 0.38 0.00 1.69 1.79 -1.74 -3.13 116.57 115.56 3dxj h LYS 1203Ca 0.75 -0.47 0.00 0.00 -2.18 0.00 0.00 60.65 58.75 3dxj h LYS 1203Cb 2.97 0.15 0.00 0.00 -1.58 0.00 0.00 32.23 33.77 3dxj h LYS 1203CO -0.03 1.15 0.00 0.00 -1.08 0.00 0.00 179.45 179.49 3dxj n TYR 1205N -0.71 0.00 0.00 0.00 9.36 -1.22 -2.98 117.16 121.61 3dxj n TYR 1205Ca 0.06 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.28 3dxj n TYR 1205Cb 0.03 -0.24 0.00 0.00 -0.63 0.00 0.00 39.34 38.50 3dxj n TYR 1205CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3dxj n GLY 1206N 2.53 0.92 3.44 2.98 0.00 -1.18 -4.79 105.19 109.08 3dxj n GLY 1206Ca -0.07 -1.66 -0.30 0.00 0.00 0.00 0.00 46.02 43.99 3dxj n GLY 1206CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3dxj n TYR 1207N 0.00 -1.16 0.04 1.61 4.02 0.07 -0.80 117.16 120.95 3dxj n TYR 1207Ca 0.00 -0.04 -0.22 0.00 -0.01 0.00 0.00 57.90 57.62 3dxj n TYR 1207Cb 0.00 -1.70 -0.14 0.00 -0.02 0.00 0.00 39.34 37.48 3dxj n TYR 1207CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 176.86 176.07 3dxj h ASP 1208N -2.48 0.53 0.00 7.72 1.82 0.12 -3.37 116.42 120.76 3dxj h ASP 1208Ca -0.58 -0.92 0.00 0.00 -0.39 0.00 0.00 57.03 55.14 3dxj h ASP 1208Cb 1.33 -0.17 0.00 0.00 0.68 0.00 0.00 39.33 41.17 3dxj h ASP 1208CO 0.46 1.77 0.00 0.18 -1.61 0.00 0.00 179.24 180.03 3dxj n LEU 1209N -3.65 0.00 -0.01 2.28 4.77 -1.26 -4.67 117.00 114.46 3dxj n LEU 1209Ca -0.26 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 55.79 3dxj n LEU 1209Cb 1.03 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 42.01 3dxj n LEU 1209CO 0.47 0.00 -0.59 -1.54 -1.33 0.00 0.00 177.39 174.40 3dxj n SER 1210N 0.00 1.42 -3.85 -1.43 3.41 -1.26 -2.89 113.62 109.02 3dxj n SER 1210Ca 0.00 -0.12 -0.12 0.00 -0.26 0.00 0.00 58.87 58.37 3dxj n SER 1210Cb 0.00 1.60 -0.13 0.00 -0.26 0.00 0.00 64.21 65.42 3dxj n SER 1210CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dxj s MET 1211N -2.96 0.12 -1.25 4.33 0.00 -1.26 -3.03 119.30 115.25 3dxj s MET 1211Ca -0.04 0.04 -0.14 0.00 0.00 0.00 0.00 55.69 55.55 3dxj s MET 1211Cb 0.10 0.06 0.14 0.00 0.00 0.00 0.00 34.83 35.13 3dxj s MET 1211CO 0.63 -0.02 1.58 0.00 0.00 0.00 0.00 175.02 177.21 3dxj n ALA 1212N 2.88 4.00 -3.81 3.16 0.00 -1.26 -3.35 120.51 122.12 3dxj n ALA 1212Ca -0.13 -4.15 -0.05 0.00 0.00 0.00 0.00 53.44 49.11 3dxj n ALA 1212Cb 0.59 -3.20 -0.01 0.00 0.00 0.00 0.00 19.45 16.83 3dxj n ALA 1212CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 3dxj s ARG 1213N 2.14 1.56 0.06 0.00 1.70 -1.26 -4.96 118.95 118.18 3dxj s ARG 1213Ca 0.45 -0.89 -0.31 0.00 -0.47 0.00 0.00 55.73 54.52 3dxj s ARG 1213Cb 0.01 0.51 -0.08 0.00 -0.57 0.00 0.00 34.95 34.82 3dxj s ARG 1213CO 0.02 -0.72 1.67 -1.25 -1.08 0.00 0.00 175.30 173.94 3dxj s PRO 1214N -3.41 4.19 0.26 3.89 0.04 -1.26 0.57 135.00 139.28 3dxj s PRO 1214Ca 0.13 2.33 -0.30 0.00 0.04 0.00 0.00 61.00 63.20 3dxj s PRO 1214Cb -0.04 -3.66 -0.14 0.00 0.04 0.00 0.00 34.50 30.70 3dxj s PRO 1214CO 0.05 -0.76 1.18 1.55 0.04 0.00 0.00 177.00 179.07 3dxj n VAL 1215N 4.84 1.51 -3.32 -0.36 3.14 0.02 -4.75 118.33 119.41 3dxj n VAL 1215Ca 0.16 -0.38 -0.33 0.00 -2.96 0.00 0.00 64.34 60.83 3dxj n VAL 1215Cb 0.41 -1.17 -0.06 0.00 -1.06 0.00 0.00 33.84 31.97 3dxj n VAL 1215CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 3dxj s SER 1216N -0.20 6.72 0.72 6.55 1.04 -1.26 -4.93 113.70 122.34 3dxj s SER 1216Ca 0.63 1.07 -0.16 0.00 0.48 0.00 0.00 55.95 57.97 3dxj s SER 1216Cb -0.70 -2.28 0.02 0.00 0.10 0.00 0.00 66.02 63.16 3dxj s SER 1216CO 0.56 -0.07 1.18 -0.38 0.98 0.00 0.00 173.24 175.51 3dxj n ILE 1217N 0.02 3.45 -1.36 -1.02 -0.00 -1.26 -3.47 119.36 115.73 3dxj n ILE 1217Ca 0.00 -0.37 0.00 0.00 -0.00 0.00 0.00 62.75 62.38 3dxj n ILE 1217Cb 0.52 -1.29 0.00 0.00 -0.00 0.00 0.00 39.64 38.87 3dxj n ILE 1217CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3dxj n GLY 1218N 0.85 0.41 3.77 7.39 0.00 0.74 -4.85 105.19 113.50 3dxj n GLY 1218Ca 0.14 -0.98 -0.39 0.00 0.00 0.00 0.00 46.02 44.79 3dxj n GLY 1218CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3dxj s GLU 1219N -2.73 4.43 -1.47 1.61 2.56 -1.23 0.12 118.70 121.99 3dxj s GLU 1219Ca 0.00 0.97 -0.12 0.00 0.00 0.00 0.00 54.97 55.82 3dxj s GLU 1219Cb 0.00 -3.30 0.03 0.00 2.00 0.00 0.00 34.13 32.86 3dxj s GLU 1219CO 0.00 0.46 2.36 0.00 -0.56 0.00 0.00 175.26 177.52 3dxj n ALA 1220N 2.21 6.05 0.04 6.30 0.00 -1.26 -1.64 120.51 132.20 3dxj n ALA 1220Ca -0.06 -3.86 -0.13 0.00 0.00 0.00 0.00 53.44 49.39 3dxj n ALA 1220Cb 0.50 -3.40 -0.08 0.00 0.00 0.00 0.00 19.45 16.47 3dxj n ALA 1220CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3dxj h VAL 1221N 3.68 1.08 -0.69 0.00 2.07 -1.93 -1.81 116.25 118.65 3dxj h VAL 1221Ca 0.62 -0.42 0.09 0.00 0.82 0.00 0.00 66.70 67.81 3dxj h VAL 1221Cb 0.54 1.36 -0.11 0.00 -1.52 0.00 0.00 31.29 31.56 3dxj h VAL 1221CO 1.82 0.11 -0.48 1.23 0.02 0.00 0.00 177.57 180.26 3dxj h GLY 1222N -0.25 -0.56 0.67 2.17 0.00 -1.52 0.29 103.07 103.88 3dxj h GLY 1222Ca -0.01 0.63 0.03 0.00 0.00 0.00 0.00 47.33 47.98 3dxj h GLY 1222CO 0.01 -0.12 -0.07 -2.22 0.00 0.00 0.00 176.54 174.15 3dxj h ILE 1223N -0.18 0.78 -0.16 2.60 1.08 -1.58 -2.01 117.51 118.04 3dxj h ILE 1223Ca 0.18 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.70 3dxj h ILE 1223Cb 0.54 0.78 -0.07 0.00 -3.07 0.00 0.00 36.82 35.01 3dxj h ILE 1223CO -0.77 0.00 -0.39 0.58 -0.69 0.00 0.00 178.15 176.88 3dxj h VAL 1224N -0.07 0.18 -0.24 1.67 2.07 -0.02 -1.19 116.25 118.65 3dxj h VAL 1224Ca 0.07 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.65 3dxj h VAL 1224Cb 0.17 0.18 -0.07 0.00 -1.52 0.00 0.00 31.29 30.05 3dxj h VAL 1224CO -0.16 0.00 -0.21 0.00 0.02 0.00 0.00 177.57 177.22 3dxj h ALA 1225N 0.24 -0.07 -0.58 1.67 0.00 -0.34 0.04 119.26 120.22 3dxj h ALA 1225Ca 0.09 0.08 0.11 0.00 0.00 0.00 0.00 54.91 55.20 3dxj h ALA 1225Cb 0.60 0.45 -0.11 0.00 0.00 0.00 0.00 17.79 18.72 3dxj h ALA 1225CO -0.40 -0.63 -0.21 0.00 0.00 0.00 0.00 179.25 178.01 3dxj h ALA 1226N 0.89 0.25 0.76 0.00 0.00 -0.71 -1.51 119.26 118.94 3dxj h ALA 1226Ca 0.14 0.21 -0.04 0.00 0.00 0.00 0.00 54.91 55.22 3dxj h ALA 1226Cb 0.42 0.55 0.01 0.00 0.00 0.00 0.00 17.79 18.77 3dxj h ALA 1226CO -0.37 -0.51 -0.37 1.96 0.00 0.00 0.00 179.25 179.97 3dxj h GLN 1227N -0.07 -0.98 -1.53 0.00 4.20 -0.56 0.96 115.11 117.13 3dxj h GLN 1227Ca 0.27 0.07 0.47 0.00 0.06 0.00 0.00 58.65 59.52 3dxj h GLN 1227Cb 0.48 0.22 -0.10 0.00 0.30 0.00 0.00 27.48 28.38 3dxj h GLN 1227CO -0.63 -0.65 1.04 0.77 -0.67 0.00 0.00 178.83 178.69 3dxj h SER 1228N -1.04 0.14 0.00 1.46 0.02 -0.32 0.12 113.55 113.93 3dxj h SER 1228Ca -0.10 0.08 -0.04 0.00 -0.84 0.00 0.00 61.79 60.88 3dxj h SER 1228Cb 0.79 0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.40 3dxj h SER 1228CO 0.17 -0.11 -0.32 0.40 -1.14 0.00 0.00 176.83 175.84 3dxj h ILE 1229N 0.05 0.72 0.15 3.27 2.04 -0.88 -3.38 117.51 119.48 3dxj h ILE 1229Ca 0.84 -1.63 0.01 0.00 1.00 0.00 0.00 64.86 65.08 3dxj h ILE 1229Cb 2.95 1.45 -0.05 0.00 -0.74 0.00 0.00 36.82 40.44 3dxj h ILE 1229CO -0.25 0.25 -0.47 1.23 0.00 0.00 0.00 178.15 178.90 3dxj h GLY 1230N -1.00 -1.01 -0.61 5.37 0.00 0.16 -3.08 103.07 102.91 3dxj h GLY 1230Ca -0.06 0.57 0.05 0.00 0.00 0.00 0.00 47.33 47.89 3dxj h GLY 1230CO -0.04 -0.28 -0.36 -2.21 0.00 0.00 0.00 176.54 173.66 3dxj n GLU 1231N -5.48 -0.27 -0.25 4.80 0.00 0.08 -0.41 120.64 119.11 3dxj n GLU 1231Ca -0.08 1.16 0.05 0.00 0.00 0.00 0.00 57.16 58.29 3dxj n GLU 1231Cb 0.40 -1.71 0.18 0.00 0.00 0.00 0.00 31.44 30.31 3dxj n GLU 1231CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.13 175.78 3dxj h PRO 1232N 0.00 0.33 -0.49 5.31 0.11 -1.73 -2.86 132.00 132.67 3dxj h PRO 1232Ca 0.10 -0.02 0.12 0.00 0.11 0.00 0.00 66.00 66.30 3dxj h PRO 1232Cb 0.25 -0.08 -0.09 0.00 0.11 0.00 0.00 31.00 31.19 3dxj h PRO 1232CO -0.57 0.22 -0.06 0.41 -0.21 0.00 0.00 178.00 177.79 3dxj n GLY 1233N -1.34 -0.75 0.00 -0.55 0.00 0.46 0.57 105.19 103.58 3dxj n GLY 1233Ca 0.14 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.67 3dxj n GLY 1233CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3dxj n THR 1234N -4.69 0.99 -1.66 2.61 -2.24 -1.08 -1.83 114.28 106.37 3dxj n THR 1234Ca 0.10 0.31 0.06 0.00 -2.27 0.00 0.00 64.05 62.25 3dxj n THR 1234Cb 0.31 -1.31 0.13 0.00 -2.10 0.00 0.00 70.33 67.36 3dxj n THR 1234CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dxj n GLN 1235N -1.21 1.01 -4.36 -0.78 10.64 0.19 -4.68 117.38 118.20 3dxj n GLN 1235Ca 0.00 -2.57 -0.35 0.00 -1.83 0.00 0.00 57.00 52.25 3dxj n GLN 1235Cb 0.06 -1.15 -0.10 0.00 -0.86 0.00 0.00 30.24 28.19 3dxj n GLN 1235CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 3dxj s LEU 1236N -2.14 3.52 -0.24 2.61 1.43 -0.76 -5.04 118.68 118.07 3dxj s LEU 1236Ca 0.31 0.09 -0.36 0.00 -1.03 0.00 0.00 54.13 53.13 3dxj s LEU 1236Cb 0.30 -1.82 -0.13 0.00 0.03 0.00 0.00 46.19 44.58 3dxj s LEU 1236CO -0.05 0.33 1.96 0.35 0.23 0.00 0.00 176.35 179.16 3dxj n THR 1237N 2.48 0.37 0.00 5.49 -2.24 -1.26 -4.59 114.28 114.53 3dxj n THR 1237Ca -0.18 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 3dxj n THR 1237Cb 0.53 -1.63 0.00 0.00 -2.10 0.00 0.00 70.33 67.13 3dxj n THR 1237CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 3dxj n MET 1238N 6.87 0.00 -2.78 -0.78 1.56 -1.26 -2.89 117.12 117.84 3dxj n MET 1238Ca 0.30 0.20 -0.34 0.00 -0.27 0.00 0.00 57.70 57.58 3dxj n MET 1238Cb 0.23 -1.04 -0.06 0.00 2.15 0.00 0.00 33.22 34.49 3dxj n MET 1238CO 0.00 0.00 0.00 -0.98 -0.73 0.00 0.00 175.97 174.26 3dxj s ARG 1239N -1.35 4.29 0.26 2.12 3.03 -1.26 -4.27 118.95 121.77 3dxj s ARG 1239Ca 0.00 1.21 -0.31 0.00 2.03 0.00 0.00 55.73 58.66 3dxj s ARG 1239Cb 0.00 -2.36 -0.11 0.00 -1.03 0.00 0.00 34.95 31.45 3dxj s ARG 1239CO 0.00 0.02 1.61 0.99 -1.13 0.00 0.00 175.30 176.79 3dxj s THR 1240N -1.99 2.16 -0.02 4.99 2.01 -1.26 -4.93 115.64 116.60 3dxj s THR 1240Ca 0.59 0.13 0.01 0.00 0.31 0.00 0.00 61.69 62.73 3dxj s THR 1240Cb -0.13 -3.08 0.01 0.00 0.01 0.00 0.00 72.50 69.31 3dxj s THR 1240CO 0.17 0.02 -0.04 0.12 -0.69 0.00 0.00 174.62 174.20 3dxj s PHE 1241N 0.40 0.52 -0.29 4.92 5.36 -1.26 -5.10 117.98 122.52 3dxj s PHE 1241Ca 0.66 -0.10 -0.14 0.00 -0.96 0.00 0.00 56.93 56.39 3dxj s PHE 1241Cb -0.47 -0.43 0.13 0.00 -0.34 0.00 0.00 43.02 41.91 3dxj s PHE 1241CO 0.42 -0.09 0.85 -3.38 -1.46 0.00 0.00 175.22 171.57 3dxj s HIS 1242N 0.43 -0.86 0.66 10.12 -3.43 -1.26 -5.14 115.29 115.81 3dxj s HIS 1242Ca -0.05 1.60 -0.13 0.00 -0.80 0.00 0.00 55.06 55.68 3dxj s HIS 1242Cb -0.08 0.52 -0.00 0.00 -1.43 0.00 0.00 32.58 31.58 3dxj s HIS 1242CO -0.00 -0.43 1.06 0.99 -2.00 0.00 0.00 174.74 174.36 3dxj s THR 1243N 2.04 3.84 -0.14 -5.38 2.01 -1.26 -4.27 115.64 112.48 3dxj s THR 1243Ca -0.07 0.71 -0.00 0.00 0.31 0.00 0.00 61.69 62.64 3dxj s THR 1243Cb -0.06 -3.33 -0.00 0.00 0.01 0.00 0.00 72.50 69.12 3dxj s THR 1243CO -0.17 -0.67 0.13 0.61 -0.69 0.00 0.00 174.62 173.82 3dxj n GLY 1244N -1.46 -0.26 3.07 4.40 0.00 -1.26 -5.01 105.19 104.67 3dxj n GLY 1244Ca 0.08 -0.10 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 3dxj n GLY 1244CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dxj n GLY 1245N -1.19 -2.49 3.82 -0.02 0.00 -1.26 -4.98 105.19 99.06 3dxj n GLY 1245Ca -0.00 -0.52 -0.36 0.00 0.00 0.00 0.00 46.02 45.14 3dxj n GLY 1245CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dxj s VAL 1246N -2.10 4.62 -0.12 1.61 1.01 -1.26 -5.01 120.40 119.16 3dxj s VAL 1246Ca 0.39 1.20 0.16 0.00 0.00 0.00 0.00 61.98 63.73 3dxj s VAL 1246Cb -0.02 -3.84 0.25 0.00 0.00 0.00 0.00 36.38 32.77 3dxj s VAL 1246CO 0.50 0.22 1.14 0.00 0.00 0.00 0.00 175.10 176.96 3dxj n ALA 1247N 0.75 2.25 0.00 5.51 0.00 -1.26 -4.91 120.51 122.85 3dxj n ALA 1247Ca -0.03 -2.35 0.00 0.00 0.00 0.00 0.00 53.44 51.06 3dxj n ALA 1247Cb 0.51 -0.33 0.00 0.00 0.00 0.00 0.00 19.45 19.63 3dxj n ALA 1247CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dxj n GLY 1248N -1.24 0.55 3.87 0.00 0.00 -1.26 -5.15 105.19 101.97 3dxj n GLY 1248Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 3dxj n GLY 1248CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dxj s ALA 1249N 0.00 3.86 0.35 4.61 0.00 -1.26 -5.11 121.76 124.21 3dxj s ALA 1249Ca 0.00 -0.71 -0.13 0.00 0.00 0.00 0.00 51.96 51.12 3dxj s ALA 1249Cb 0.00 -1.88 -0.08 0.00 0.00 0.00 0.00 23.12 21.16 3dxj s ALA 1249CO 0.00 0.67 0.73 0.00 0.00 0.00 0.00 175.76 177.16 3dxj s ALA 1250N -1.15 3.36 0.56 0.00 0.00 -1.26 -4.90 121.76 118.37 3dxj s ALA 1250Ca 0.20 -0.09 0.02 0.00 0.00 0.00 0.00 51.96 52.09 3dxj s ALA 1250Cb -0.12 -2.71 0.04 0.00 0.00 0.00 0.00 23.12 20.33 3dxj s ALA 1250CO 0.10 0.21 0.78 -0.51 0.00 0.00 0.00 175.76 176.35 3dxj s ASP 1251N -2.64 5.20 0.11 0.00 1.01 -1.26 -4.99 116.67 114.09 3dxj s ASP 1251Ca 0.52 -0.10 0.07 0.00 0.71 0.00 0.00 52.55 53.75 3dxj s ASP 1251Cb -0.10 -0.73 -0.04 0.00 1.01 0.00 0.00 42.92 43.06 3dxj s ASP 1251CO 0.23 -1.20 -0.08 -0.51 0.21 0.00 0.00 175.17 173.82 3dxj s ILE 1252N -2.77 3.45 0.99 0.77 2.07 -1.26 -4.31 121.20 120.14 3dxj s ILE 1252Ca 0.58 -1.28 -0.15 0.00 -1.41 0.00 0.00 60.65 58.40 3dxj s ILE 1252Cb -0.10 -2.64 0.03 0.00 0.13 0.00 0.00 42.46 39.88 3dxj s ILE 1252CO 0.39 0.08 0.15 0.41 -1.91 0.00 0.00 174.94 174.06 3dxj n THR 1253N 0.58 0.00 -3.84 4.00 -1.04 -1.26 -5.05 114.28 107.67 3dxj n THR 1253Ca -0.13 -0.24 -0.09 0.00 -2.04 0.00 0.00 64.05 61.55 3dxj n THR 1253Cb 0.53 -0.54 -0.07 0.00 -1.82 0.00 0.00 70.33 68.43 3dxj n THR 1253CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 3dxj s GLN 1254N -3.39 0.85 2.54 -2.82 0.74 -1.26 -4.85 119.66 111.48 3dxj s GLN 1254Ca 0.54 -0.91 0.00 0.00 0.05 0.00 0.00 55.36 55.04 3dxj s GLN 1254Cb -0.18 0.35 0.00 0.00 1.10 0.00 0.00 33.01 34.28 3dxj s GLN 1254CO 0.69 -0.28 0.00 0.41 -0.55 0.00 0.00 175.29 175.56 3dxj n GLY 1255N -0.02 0.88 0.36 2.59 0.00 -1.25 -3.37 105.19 104.38 3dxj n GLY 1255Ca -0.15 -0.81 -0.03 0.00 0.00 0.00 0.00 46.02 45.02 3dxj n GLY 1255CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3dxj h LEU 1256N 0.00 -1.27 -0.94 0.99 5.85 -1.73 -1.22 115.31 117.00 3dxj h LEU 1256Ca 0.00 0.27 0.19 0.00 0.84 0.00 0.00 57.88 59.18 3dxj h LEU 1256Cb 0.00 0.65 -0.18 0.00 0.37 0.00 0.00 40.66 41.51 3dxj h LEU 1256CO 0.00 -0.30 -0.22 -0.65 -0.34 0.00 0.00 178.44 176.94 3dxj h PRO 1257N -0.09 0.00 0.23 5.25 0.11 -1.74 0.55 132.00 136.31 3dxj h PRO 1257Ca 0.29 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.40 3dxj h PRO 1257Cb 0.57 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.67 3dxj h PRO 1257CO -0.82 0.00 -0.19 -0.09 -0.21 0.00 0.00 178.00 176.69 3dxj h ARG 1258N 0.00 -0.42 -0.61 1.05 9.65 -1.24 0.65 114.38 123.47 3dxj h ARG 1258Ca 0.46 0.03 0.11 0.00 -1.10 0.00 0.00 59.98 59.48 3dxj h ARG 1258Cb 0.71 0.10 -0.12 0.00 -1.39 0.00 0.00 29.97 29.27 3dxj h ARG 1258CO -0.96 -0.28 -0.29 0.28 2.80 0.00 0.00 179.97 181.52 3dxj h VAL 1259N -0.44 0.21 0.49 0.20 2.07 0.26 0.25 116.25 119.30 3dxj h VAL 1259Ca -0.01 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 3dxj h VAL 1259Cb 0.39 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 3dxj h VAL 1259CO -0.02 0.00 -0.39 0.40 0.02 0.00 0.00 177.57 177.58 3dxj h ILE 1260N -0.12 0.00 -0.90 4.57 2.04 0.10 0.12 117.51 123.32 3dxj h ILE 1260Ca 0.26 0.00 0.25 0.00 1.00 0.00 0.00 64.86 66.36 3dxj h ILE 1260Cb 0.54 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 36.45 3dxj h ILE 1260CO -0.68 0.00 0.01 1.21 0.00 0.00 0.00 178.15 178.69 3dxj n GLU 1261N -4.80 -0.07 0.00 2.37 2.13 0.22 -0.76 120.64 119.74 3dxj n GLU 1261Ca -0.10 1.35 0.00 0.00 0.66 0.00 0.00 57.16 59.07 3dxj n GLU 1261Cb 0.37 -2.15 0.00 0.00 0.27 0.00 0.00 31.44 29.94 3dxj n GLU 1261CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3dxj n LEU 1262N -5.32 0.19 0.27 4.31 4.77 0.79 -1.41 117.00 120.60 3dxj n LEU 1262Ca 0.21 0.64 0.03 0.00 -0.03 0.00 0.00 56.01 56.86 3dxj n LEU 1262Cb 0.69 -0.19 0.05 0.00 -2.33 0.00 0.00 43.42 41.64 3dxj n LEU 1262CO -0.07 -0.19 1.02 0.49 -1.33 0.00 0.00 177.39 177.31 3dxj n PHE 1263N -1.07 0.00 -0.55 -1.77 3.01 0.37 0.29 117.46 117.73 3dxj n PHE 1263Ca 0.00 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.54 3dxj n PHE 1263Cb 0.00 -0.03 0.25 0.00 -0.01 0.00 0.00 39.48 39.69 3dxj n PHE 1263CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 3dxj n GLU 1264N -2.56 3.15 -4.30 -1.08 -0.58 0.06 -2.88 120.64 112.46 3dxj n GLU 1264Ca 0.03 -2.55 -0.31 0.00 -0.42 0.00 0.00 57.16 53.90 3dxj n GLU 1264Cb 1.05 -1.63 -0.09 0.00 -0.57 0.00 0.00 31.44 30.19 3dxj n GLU 1264CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3dxj n ALA 1265N 0.43 -1.98 -2.16 0.62 0.00 0.84 -4.29 120.51 113.96 3dxj n ALA 1265Ca 0.19 -0.40 -0.38 0.00 0.00 0.00 0.00 53.44 52.85 3dxj n ALA 1265Cb 0.71 -0.89 -0.06 0.00 0.00 0.00 0.00 19.45 19.21 3dxj n ALA 1265CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3dxj s ARG 1266N -7.33 4.29 -0.00 0.00 0.52 -0.50 -4.86 118.95 111.06 3dxj s ARG 1266Ca 0.03 0.86 -0.30 0.00 -0.52 0.00 0.00 55.73 55.79 3dxj s ARG 1266Cb -0.02 -3.12 -0.07 0.00 0.52 0.00 0.00 34.95 32.27 3dxj s ARG 1266CO 0.99 0.54 1.68 0.50 0.02 0.00 0.00 175.30 179.03 3dxj s ARG 1267N -1.43 4.19 1.23 3.54 3.52 -1.26 -4.75 118.95 123.98 3dxj s ARG 1267Ca 0.35 2.27 -0.18 0.00 -0.13 0.00 0.00 55.73 58.04 3dxj s ARG 1267Cb -0.19 -3.87 0.26 0.00 -1.56 0.00 0.00 34.95 29.59 3dxj s ARG 1267CO 0.21 -0.81 0.59 -2.30 -0.81 0.00 0.00 175.30 172.18 3dxj n PRO 1268N 6.64 -3.15 -0.03 5.12 -0.02 -1.26 -4.98 135.00 137.31 3dxj n PRO 1268Ca 0.17 -0.92 -0.04 0.00 -2.02 0.00 0.00 63.50 60.69 3dxj n PRO 1268Cb 0.42 -1.80 -0.05 0.00 -0.02 0.00 0.00 33.50 32.05 3dxj n PRO 1268CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 3dxj n LYS 1269N -3.89 2.02 -0.96 -0.52 0.00 -1.26 -4.46 118.16 109.09 3dxj n LYS 1269Ca 0.07 0.01 -0.20 0.00 -0.00 0.00 0.00 58.31 58.19 3dxj n LYS 1269Cb 0.53 -1.16 0.05 0.00 -0.00 0.00 0.00 35.03 34.44 3dxj n LYS 1269CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3dxj n ALA 1270N -2.41 5.28 -1.62 0.58 0.00 -1.26 -4.98 120.51 116.10 3dxj n ALA 1270Ca -0.12 -1.98 -0.52 0.00 0.00 0.00 0.00 53.44 50.82 3dxj n ALA 1270Cb 0.69 -1.44 -0.06 0.00 0.00 0.00 0.00 19.45 18.64 3dxj n ALA 1270CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3dxj n LYS 1271N 0.07 1.33 -3.91 0.00 4.81 -1.26 -1.84 118.16 117.35 3dxj n LYS 1271Ca 0.36 0.48 -0.35 0.00 -0.87 0.00 0.00 58.31 57.93 3dxj n LYS 1271Cb 0.63 -2.16 -0.10 0.00 0.02 0.00 0.00 35.03 33.42 3dxj n LYS 1271CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3dxj s ALA 1272N 1.18 3.37 0.73 3.14 0.00 0.72 -4.80 121.76 126.10 3dxj s ALA 1272Ca 0.86 -0.86 -0.12 0.00 0.00 0.00 0.00 51.96 51.84 3dxj s ALA 1272Cb -0.92 -2.01 0.04 0.00 0.00 0.00 0.00 23.12 20.22 3dxj s ALA 1272CO 0.49 -0.04 1.09 0.14 0.00 0.00 0.00 175.76 177.44 3dxj s VAL 1273N 0.77 3.43 0.16 0.00 -7.23 -1.26 -4.56 120.40 111.72 3dxj s VAL 1273Ca 0.04 0.51 0.00 0.00 -1.81 0.00 0.00 61.98 60.72 3dxj s VAL 1273Cb -0.13 -3.04 -0.04 0.00 0.56 0.00 0.00 36.38 33.72 3dxj s VAL 1273CO 0.02 -0.57 0.05 0.27 -0.31 0.00 0.00 175.10 174.56 3dxj s ILE 1274N -2.80 0.30 -0.11 -0.62 -4.36 -1.26 -2.52 121.20 109.83 3dxj s ILE 1274Ca 0.62 -1.95 -0.23 0.00 -0.26 0.00 0.00 60.65 58.84 3dxj s ILE 1274Cb -0.17 -2.16 -0.03 0.00 1.25 0.00 0.00 42.46 41.34 3dxj s ILE 1274CO 0.52 -0.38 0.68 -0.55 0.24 0.00 0.00 174.94 175.45 3dxj s SER 1275N -3.12 6.89 0.22 4.36 0.15 -0.85 -4.94 113.70 116.42 3dxj s SER 1275Ca 0.27 1.08 0.22 0.00 0.70 0.00 0.00 55.95 58.21 3dxj s SER 1275Cb 0.07 -2.39 0.03 0.00 -1.71 0.00 0.00 66.02 62.02 3dxj s SER 1275CO 0.04 -0.17 1.11 -0.33 1.20 0.00 0.00 173.24 175.09 3dxj h GLU 1276N 6.97 0.00 0.00 5.44 5.08 -1.91 1.39 114.58 131.55 3dxj h GLU 1276Ca -0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 3dxj h GLU 1276Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 3dxj h GLU 1276CO 0.77 0.04 0.00 -0.89 -1.00 0.00 0.00 179.01 177.93 3dxj n ILE 1277N -2.77 0.00 -1.83 3.13 2.08 -1.26 -4.64 119.36 114.07 3dxj n ILE 1277Ca -0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 3dxj n ILE 1277Cb 0.58 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.47 3dxj n ILE 1277CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 3dxj n ASP 1278N -0.34 0.35 0.00 4.38 10.43 -1.26 -0.27 116.55 129.84 3dxj n ASP 1278Ca 0.00 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.36 3dxj n ASP 1278Cb 0.00 0.00 0.00 0.00 1.84 0.00 0.00 41.12 42.96 3dxj n ASP 1278CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3dxj n GLY 1279N 5.00 -0.88 3.54 0.44 0.00 -0.86 -4.43 105.19 108.00 3dxj n GLY 1279Ca 0.00 -2.18 -0.24 0.00 0.00 0.00 0.00 46.02 43.60 3dxj n GLY 1279CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dxj s VAL 1280N -0.09 2.74 -0.08 1.61 1.01 -0.92 0.11 120.40 124.78 3dxj s VAL 1280Ca 0.00 -2.21 -0.28 0.00 0.00 0.00 0.00 61.98 59.49 3dxj s VAL 1280Cb 0.00 -2.53 -0.02 0.00 0.00 0.00 0.00 36.38 33.83 3dxj s VAL 1280CO 0.00 -0.35 0.92 -0.69 0.00 0.00 0.00 175.10 174.97 3dxj s VAL 1281N -2.47 4.87 -0.21 2.92 1.01 0.16 -2.14 120.40 124.54 3dxj s VAL 1281Ca 0.31 1.87 -0.02 0.00 0.00 0.00 0.00 61.98 64.14 3dxj s VAL 1281Cb -0.04 -4.24 0.06 0.00 0.00 0.00 0.00 36.38 32.16 3dxj s VAL 1281CO 0.17 0.09 0.03 -0.60 0.00 0.00 0.00 175.10 174.79 3dxj s ARG 1282N 1.59 0.76 0.12 2.72 3.00 -0.92 0.16 118.95 126.39 3dxj s ARG 1282Ca 0.46 -0.55 -0.18 0.00 -1.00 0.00 0.00 55.73 54.45 3dxj s ARG 1282Cb -0.19 -2.14 -0.07 0.00 0.00 0.00 0.00 34.95 32.55 3dxj s ARG 1282CO 0.19 -0.68 0.59 0.42 0.00 0.00 0.00 175.30 175.83 3dxj s ILE 1283N 1.79 4.73 0.01 4.11 1.01 -1.26 -2.71 121.20 128.88 3dxj s ILE 1283Ca -0.00 1.14 0.01 0.00 0.00 0.00 0.00 60.65 61.80 3dxj s ILE 1283Cb -0.17 -3.86 -0.01 0.00 0.01 0.00 0.00 42.46 38.43 3dxj s ILE 1283CO -0.10 0.43 -0.05 -1.61 0.00 0.00 0.00 174.94 173.61 3dxj s GLU 1284N -1.45 0.37 0.22 2.79 0.41 -1.22 -5.03 118.70 114.78 3dxj s GLU 1284Ca 0.33 -0.35 0.00 0.00 -0.41 0.00 0.00 54.97 54.55 3dxj s GLU 1284Cb -0.18 -0.26 0.00 0.00 -1.78 0.00 0.00 34.13 31.91 3dxj s GLU 1284CO 0.20 0.06 0.00 -0.85 -0.49 0.00 0.00 175.26 174.18 3dxj n GLU 1285N 2.45 1.47 -3.63 1.61 -0.00 -1.26 -3.31 120.64 117.97 3dxj n GLU 1285Ca -0.16 -1.59 -0.05 0.00 -0.00 0.00 0.00 57.16 55.36 3dxj n GLU 1285Cb 0.57 0.42 -0.05 0.00 -0.00 0.00 0.00 31.44 32.38 3dxj n GLU 1285CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 3dxj s THR 1286N -1.78 0.00 -2.00 3.84 2.01 -0.83 -4.88 115.64 112.01 3dxj s THR 1286Ca 0.00 0.00 0.25 0.00 0.31 0.00 0.00 61.69 62.26 3dxj s THR 1286Cb -0.00 -1.00 0.72 0.00 0.01 0.00 0.00 72.50 72.23 3dxj s THR 1286CO 0.00 0.00 1.92 -0.62 -0.69 0.00 0.00 174.62 175.23 3dxj n GLU 1287N 0.89 0.89 0.04 4.92 -0.58 -1.26 -3.84 120.64 121.70 3dxj n GLU 1287Ca -0.06 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 56.68 3dxj n GLU 1287Cb 0.58 -1.45 -0.00 0.00 -0.57 0.00 0.00 31.44 30.00 3dxj n GLU 1287CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3dxj n GLU 1288N -0.95 0.05 -4.00 3.49 4.71 -1.26 -5.09 120.64 117.60 3dxj n GLU 1288Ca 0.19 0.02 -0.27 0.00 -0.01 0.00 0.00 57.16 57.10 3dxj n GLU 1288Cb 0.09 -0.59 -0.04 0.00 -1.01 0.00 0.00 31.44 29.89 3dxj n GLU 1288CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 3dxj s LYS 1289N -2.08 3.21 -0.06 3.49 -0.14 -1.25 -4.92 119.74 117.99 3dxj s LYS 1289Ca -0.03 -0.70 0.01 0.00 -1.36 0.00 0.00 55.97 53.89 3dxj s LYS 1289Cb 0.00 -2.84 0.02 0.00 -1.68 0.00 0.00 37.83 33.34 3dxj s LYS 1289CO 0.04 0.51 -0.05 -1.17 -0.76 0.00 0.00 175.35 173.92 3dxj s LEU 1290N -3.12 1.20 0.19 3.17 2.96 -1.26 -1.96 118.68 119.86 3dxj s LEU 1290Ca 0.33 -0.17 -0.06 0.00 -0.22 0.00 0.00 54.13 54.01 3dxj s LEU 1290Cb -0.11 -0.57 -0.02 0.00 0.50 0.00 0.00 46.19 45.99 3dxj s LEU 1290CO 0.26 -0.08 0.23 -0.94 -1.32 0.00 0.00 176.35 174.50 3dxj s SER 1291N 1.22 0.10 0.02 3.68 1.04 -1.21 -1.12 113.70 117.44 3dxj s SER 1291Ca -0.06 -1.12 0.03 0.00 0.48 0.00 0.00 55.95 55.28 3dxj s SER 1291Cb -0.14 0.42 -0.02 0.00 0.10 0.00 0.00 66.02 66.39 3dxj s SER 1291CO -0.02 -0.89 -0.08 -0.69 0.98 0.00 0.00 173.24 172.54 3dxj s VAL 1292N -4.06 0.62 -0.04 5.02 1.01 0.13 -3.46 120.40 119.62 3dxj s VAL 1292Ca 0.27 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.54 3dxj s VAL 1292Cb 0.05 -0.60 0.01 0.00 0.00 0.00 0.00 36.38 35.84 3dxj s VAL 1292CO 0.06 -0.10 -0.09 0.12 0.00 0.00 0.00 175.10 175.09 3dxj s PHE 1293N -0.77 1.04 0.09 5.22 5.36 -1.10 0.24 117.98 128.06 3dxj s PHE 1293Ca -0.03 -0.31 0.03 0.00 -0.96 0.00 0.00 56.93 55.66 3dxj s PHE 1293Cb -0.06 -0.79 -0.04 0.00 -0.34 0.00 0.00 43.02 41.79 3dxj s PHE 1293CO 0.00 -0.17 0.11 0.08 -1.46 0.00 0.00 175.22 173.78 3dxj s VAL 1294N 0.50 4.66 -0.16 3.12 1.01 0.58 -2.16 120.40 127.95 3dxj s VAL 1294Ca -0.09 -0.74 -0.05 0.00 0.00 0.00 0.00 61.98 61.10 3dxj s VAL 1294Cb -0.12 -3.27 0.08 0.00 0.00 0.00 0.00 36.38 33.07 3dxj s VAL 1294CO 0.01 0.10 0.32 -1.61 0.00 0.00 0.00 175.10 173.92 3dxj s GLU 1295N -2.49 0.22 -0.12 2.72 2.02 -0.91 -1.26 118.70 118.88 3dxj s GLU 1295Ca 0.30 0.81 -0.03 0.00 0.02 0.00 0.00 54.97 56.07 3dxj s GLU 1295Cb -0.12 0.01 -0.03 0.00 0.10 0.00 0.00 34.13 34.09 3dxj s GLU 1295CO 0.23 -0.31 0.00 0.45 0.02 0.00 0.00 175.26 175.65 3dxj s SER 1296N 2.49 5.17 0.62 -0.19 0.15 0.21 -2.16 113.70 119.99 3dxj s SER 1296Ca 0.01 0.05 0.24 0.00 0.70 0.00 0.00 55.95 56.96 3dxj s SER 1296Cb -0.12 -1.65 1.15 0.00 -1.71 0.00 0.00 66.02 63.69 3dxj s SER 1296CO -0.10 0.28 1.62 1.05 1.20 0.00 0.00 173.24 177.28 3dxj h GLU 1297N 5.90 0.00 0.14 5.44 4.11 -1.99 0.66 114.58 128.84 3dxj h GLU 1297Ca -0.42 0.00 -0.29 0.00 0.07 0.00 0.00 59.36 58.72 3dxj h GLU 1297Cb 1.19 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.45 3dxj h GLU 1297CO 0.60 0.00 -1.26 0.78 0.07 0.00 0.00 179.01 179.20 3dxj h GLY 1298N 0.00 0.46 -1.40 1.06 0.00 -2.02 -3.48 103.07 97.68 3dxj h GLY 1298Ca 0.21 -1.08 -0.02 0.00 0.00 0.00 0.00 47.33 46.45 3dxj h GLY 1298CO -0.00 0.95 0.22 -0.11 0.00 0.00 0.00 176.54 177.59 3dxj s PHE 1299N -2.76 0.12 0.08 5.60 -0.12 0.23 -5.19 117.98 115.94 3dxj s PHE 1299Ca -0.06 -0.71 -0.04 0.00 -0.05 0.00 0.00 56.93 56.07 3dxj s PHE 1299Cb 0.06 0.72 -0.02 0.00 -0.63 0.00 0.00 43.02 43.15 3dxj s PHE 1299CO 0.90 -1.45 0.08 -1.12 -0.05 0.00 0.00 175.22 173.58 3dxj s SER 1300N -3.05 0.31 -0.14 1.98 0.01 -1.26 0.63 113.70 112.19 3dxj s SER 1300Ca 0.16 -0.89 -0.06 0.00 1.31 0.00 0.00 55.95 56.46 3dxj s SER 1300Cb -0.05 0.27 0.06 0.00 0.21 0.00 0.00 66.02 66.52 3dxj s SER 1300CO 0.11 -0.68 0.32 -0.75 0.41 0.00 0.00 173.24 172.65 3dxj s LYS 1301N -3.92 0.25 0.19 12.44 2.47 -0.39 -4.97 119.74 125.81 3dxj s LYS 1301Ca 0.09 0.74 -0.08 0.00 -1.56 0.00 0.00 55.97 55.16 3dxj s LYS 1301Cb 0.07 0.00 -0.06 0.00 -1.46 0.00 0.00 37.83 36.37 3dxj s LYS 1301CO -0.08 -0.21 0.47 -2.00 0.16 0.00 0.00 175.35 173.69 3dxj s GLU 1302N 1.87 3.73 -0.31 4.03 2.12 -1.26 -0.30 118.70 128.57 3dxj s GLU 1302Ca -0.05 0.13 -0.03 0.00 0.36 0.00 0.00 54.97 55.38 3dxj s GLU 1302Cb -0.11 -2.74 0.11 0.00 0.26 0.00 0.00 34.13 31.65 3dxj s GLU 1302CO -0.10 0.39 0.16 0.71 -0.54 0.00 0.00 175.26 175.87 3dxj s TYR 1303N -1.73 0.50 0.61 5.30 4.12 0.68 -4.96 117.35 121.87 3dxj s TYR 1303Ca 0.44 -1.15 -0.15 0.00 0.02 0.00 0.00 57.07 56.23 3dxj s TYR 1303Cb -0.12 -0.94 -0.03 0.00 -1.52 0.00 0.00 41.96 39.36 3dxj s TYR 1303CO 0.22 -0.83 1.05 0.21 0.02 0.00 0.00 175.55 176.22 3dxj s LYS 1304N 1.74 3.28 -0.24 -0.62 2.20 -1.26 0.23 119.74 125.08 3dxj s LYS 1304Ca 0.12 1.13 -0.29 0.00 -0.36 0.00 0.00 55.97 56.57 3dxj s LYS 1304Cb -0.18 -2.03 0.16 0.00 -1.51 0.00 0.00 37.83 34.27 3dxj s LYS 1304CO -0.24 -0.83 1.21 -0.48 -0.36 0.00 0.00 175.35 174.64 3dxj s LEU 1305N -4.70 -0.19 0.39 5.43 2.34 -0.27 -4.88 118.68 116.80 3dxj s LEU 1305Ca 0.62 0.22 -0.28 0.00 0.06 0.00 0.00 54.13 54.75 3dxj s LEU 1305Cb -0.15 1.43 -0.11 0.00 -0.56 0.00 0.00 46.19 46.80 3dxj s LEU 1305CO 0.40 -0.16 1.46 -2.65 -1.06 0.00 0.00 176.35 174.34 3dxj n PRO 1306N 0.71 2.55 0.01 1.48 -0.02 -1.26 -4.07 135.00 134.39 3dxj n PRO 1306Ca -0.05 0.90 0.05 0.00 -2.02 0.00 0.00 63.50 62.38 3dxj n PRO 1306Cb 0.58 -2.63 0.22 0.00 -0.02 0.00 0.00 33.50 31.66 3dxj n PRO 1306CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3dxj n LYS 1307N 0.35 0.01 -0.05 -0.52 4.01 -1.26 -2.30 118.16 118.40 3dxj n LYS 1307Ca 0.02 0.34 -0.13 0.00 -0.51 0.00 0.00 58.31 58.04 3dxj n LYS 1307Cb 0.39 -1.52 -0.07 0.00 -0.51 0.00 0.00 35.03 33.32 3dxj n LYS 1307CO 0.00 0.00 0.00 0.93 -1.11 0.00 0.00 177.40 177.22 3dxj h GLU 1308N 0.00 0.29 -5.36 1.97 5.08 -2.02 -3.45 114.58 111.09 3dxj h GLU 1308Ca 0.00 -0.13 -0.59 0.00 -1.00 0.00 0.00 59.36 57.64 3dxj h GLU 1308Cb 0.17 -0.01 0.11 0.00 0.50 0.00 0.00 28.75 29.52 3dxj h GLU 1308CO 0.00 0.63 -0.57 0.00 -1.00 0.00 0.00 179.01 178.07 3dxj n ALA 1309N -2.38 -2.71 -2.71 3.43 0.00 -0.97 -4.91 120.51 110.26 3dxj n ALA 1309Ca -0.06 0.32 -0.39 0.00 0.00 0.00 0.00 53.44 53.31 3dxj n ALA 1309Cb 0.30 -1.41 -0.11 0.00 0.00 0.00 0.00 19.45 18.23 3dxj n ALA 1309CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3dxj s ARG 1310N -0.89 3.50 1.03 0.00 3.52 -1.26 -5.06 118.95 119.79 3dxj s ARG 1310Ca 0.56 -0.62 -0.12 0.00 -0.13 0.00 0.00 55.73 55.42 3dxj s ARG 1310Cb -0.77 -3.66 0.21 0.00 -1.56 0.00 0.00 34.95 29.18 3dxj s ARG 1310CO 0.51 -0.38 1.08 -1.17 -0.81 0.00 0.00 175.30 174.53 3dxj s LEU 1311N 1.68 1.74 0.00 -0.88 2.96 -1.26 -0.99 118.68 121.93 3dxj s LEU 1311Ca 0.06 1.72 0.00 0.00 -0.22 0.00 0.00 54.13 55.69 3dxj s LEU 1311Cb -0.17 -3.88 0.00 0.00 0.50 0.00 0.00 46.19 42.64 3dxj s LEU 1311CO 0.08 -3.56 0.59 -0.11 -1.32 0.00 0.00 176.35 172.03 3dxj n LEU 1312N -4.51 0.00 -3.58 -0.68 7.94 -0.15 -4.29 117.00 111.73 3dxj n LEU 1312Ca 0.07 -0.71 -0.16 0.00 -1.11 0.00 0.00 56.01 54.09 3dxj n LEU 1312Cb 0.54 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.42 3dxj n LEU 1312CO 0.54 0.45 0.31 0.54 -1.11 0.00 0.00 177.39 178.13 3dxj s VAL 1313N 0.00 0.02 0.43 1.96 0.11 -1.24 -4.87 120.40 116.81 3dxj s VAL 1313Ca 0.00 -0.16 0.08 0.00 -2.93 0.00 0.00 61.98 58.97 3dxj s VAL 1313Cb 0.00 -0.91 -0.00 0.00 -1.53 0.00 0.00 36.38 33.94 3dxj s VAL 1313CO 0.00 -0.09 0.47 -0.54 -3.33 0.00 0.00 175.10 171.62 3dxj s LYS 1314N -1.58 2.61 0.61 1.54 1.02 -1.26 -5.11 119.74 117.57 3dxj s LYS 1314Ca -0.10 -1.46 -0.10 0.00 0.02 0.00 0.00 55.97 54.33 3dxj s LYS 1314Cb -0.01 -2.52 0.16 0.00 -0.52 0.00 0.00 37.83 34.94 3dxj s LYS 1314CO 0.05 -0.28 0.35 -0.25 -0.92 0.00 0.00 175.35 174.31 3dxj n ASP 1315N -1.71 -2.85 -1.88 2.83 8.00 -1.26 -3.41 116.55 116.27 3dxj n ASP 1315Ca 0.06 -0.36 -0.07 0.00 0.71 0.00 0.00 54.79 55.13 3dxj n ASP 1315Cb 0.61 -0.41 -0.01 0.00 -0.02 0.00 0.00 41.12 41.28 3dxj n ASP 1315CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dxj n GLY 1316N -2.31 -0.18 3.41 0.44 0.00 0.12 -4.65 105.19 102.02 3dxj n GLY 1316Ca 0.06 0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 3dxj n GLY 1316CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dxj s ASP 1317N -1.25 4.17 0.35 1.61 1.01 -1.22 -4.78 116.67 116.55 3dxj s ASP 1317Ca 0.14 -0.26 -0.24 0.00 0.71 0.00 0.00 52.55 52.90 3dxj s ASP 1317Cb -0.08 -1.52 -0.10 0.00 1.01 0.00 0.00 42.92 42.23 3dxj s ASP 1317CO 0.17 0.20 0.92 -0.47 0.21 0.00 0.00 175.17 176.20 3dxj s TYR 1318N 0.15 3.55 0.02 4.23 5.04 -1.26 0.41 117.35 129.49 3dxj s TYR 1318Ca -0.06 1.68 -0.01 0.00 -2.44 0.00 0.00 57.07 56.24 3dxj s TYR 1318Cb -0.15 -2.86 -0.02 0.00 0.35 0.00 0.00 41.96 39.28 3dxj s TYR 1318CO 0.04 0.11 -0.01 0.14 -1.34 0.00 0.00 175.55 174.49 3dxj s VAL 1319N -1.82 0.10 0.06 3.14 -7.23 0.31 -4.94 120.40 110.02 3dxj s VAL 1319Ca 0.54 -0.82 0.02 0.00 -1.81 0.00 0.00 61.98 59.90 3dxj s VAL 1319Cb -0.15 -0.25 -0.04 0.00 0.56 0.00 0.00 36.38 36.50 3dxj s VAL 1319CO 0.20 -0.45 0.12 -1.61 -0.31 0.00 0.00 175.10 173.04 3dxj s GLU 1320N -1.34 3.07 0.49 4.82 2.02 -1.26 -2.03 118.70 124.47 3dxj s GLU 1320Ca -0.15 -0.58 -0.22 0.00 0.02 0.00 0.00 54.97 54.04 3dxj s GLU 1320Cb -0.09 -2.84 -0.08 0.00 0.10 0.00 0.00 34.13 31.22 3dxj s GLU 1320CO -0.01 0.59 1.07 0.00 0.02 0.00 0.00 175.26 176.94 3dxj n ALA 1321N 0.55 0.52 -0.92 5.21 0.00 0.63 -1.49 120.51 125.01 3dxj n ALA 1321Ca -0.08 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3dxj n ALA 1321Cb 0.52 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.82 3dxj n ALA 1321CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dxj n GLY 1322N 1.11 0.54 3.85 0.00 0.00 0.48 -4.46 105.19 106.69 3dxj n GLY 1322Ca 0.10 -0.06 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 3dxj n GLY 1322CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3dxj s GLN 1323N -0.20 3.60 0.87 1.61 0.74 -0.55 -4.90 119.66 120.84 3dxj s GLN 1323Ca 0.00 -0.11 -0.10 0.00 0.05 0.00 0.00 55.36 55.20 3dxj s GLN 1323Cb 0.00 -3.23 0.12 0.00 1.10 0.00 0.00 33.01 31.00 3dxj s GLN 1323CO 0.00 0.69 1.12 -1.25 -0.55 0.00 0.00 175.29 175.29 3dxj s PRO 1324N -0.78 1.39 0.00 1.67 0.04 -1.26 -2.01 135.00 134.05 3dxj s PRO 1324Ca 0.14 1.32 0.00 0.00 0.04 0.00 0.00 61.00 62.50 3dxj s PRO 1324Cb -0.12 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.63 3dxj s PRO 1324CO 0.04 -2.30 0.00 1.28 0.04 0.00 0.00 177.00 176.06 3dxj n LEU 1325N -3.98 0.00 -4.21 -3.56 4.77 -1.05 -4.82 117.00 104.15 3dxj n LEU 1325Ca 0.10 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.93 3dxj n LEU 1325Cb 0.53 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.51 3dxj n LEU 1325CO 0.52 0.00 -0.43 0.42 -1.33 0.00 0.00 177.39 176.57 3dxj s THR 1326N -1.15 1.11 0.99 -5.08 -4.23 -1.25 -0.98 115.64 105.04 3dxj s THR 1326Ca 0.00 -1.74 -0.11 0.00 -1.18 0.00 0.00 61.69 58.66 3dxj s THR 1326Cb 0.00 -1.50 0.19 0.00 1.34 0.00 0.00 72.50 72.53 3dxj s THR 1326CO 0.00 -0.55 1.09 -0.13 -0.54 0.00 0.00 174.62 174.49 3dxj s ARG 1327N -2.92 0.46 0.00 3.99 0.52 -0.16 -4.63 118.95 116.22 3dxj s ARG 1327Ca 0.09 1.08 0.00 0.00 -0.52 0.00 0.00 55.73 56.37 3dxj s ARG 1327Cb -0.03 -1.70 0.00 0.00 0.52 0.00 0.00 34.95 33.75 3dxj s ARG 1327CO 0.01 -2.86 0.00 0.41 0.02 0.00 0.00 175.30 172.88 3dxj n GLY 1328N -0.04 0.87 3.85 -3.53 0.00 -1.26 -4.39 105.19 100.69 3dxj n GLY 1328Ca 0.07 -2.32 -0.32 0.00 0.00 0.00 0.00 46.02 43.45 3dxj n GLY 1328CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dxj s ALA 1329N -1.01 3.36 0.11 4.61 0.00 -0.77 -4.63 121.76 123.44 3dxj s ALA 1329Ca 0.00 -0.01 -0.22 0.00 0.00 0.00 0.00 51.96 51.73 3dxj s ALA 1329Cb 0.00 -2.71 -0.07 0.00 0.00 0.00 0.00 23.12 20.33 3dxj s ALA 1329CO 0.00 0.36 0.66 0.42 0.00 0.00 0.00 175.76 177.21 3dxj s ILE 1330N -1.94 4.58 0.07 0.00 1.01 -1.26 -0.20 121.20 123.45 3dxj s ILE 1330Ca 0.53 1.44 -0.30 0.00 0.00 0.00 0.00 60.65 62.31 3dxj s ILE 1330Cb -0.11 -4.01 -0.05 0.00 0.01 0.00 0.00 42.46 38.31 3dxj s ILE 1330CO 0.18 0.53 1.07 -0.62 0.00 0.00 0.00 174.94 176.11 3dxj s ASP 1331N -1.07 7.27 0.00 3.58 -1.08 -1.26 -4.77 116.67 119.33 3dxj s ASP 1331Ca 0.32 1.87 0.00 0.00 -0.52 0.00 0.00 52.55 54.22 3dxj s ASP 1331Cb -0.21 -2.58 0.00 0.00 -1.46 0.00 0.00 42.92 38.67 3dxj s ASP 1331CO 0.22 -0.30 0.67 -2.65 0.52 0.00 0.00 175.17 173.63 3dxj n PRO 1332N 3.51 0.00 -0.05 4.34 -0.02 -1.26 -2.45 135.00 139.08 3dxj n PRO 1332Ca 0.06 0.28 -0.01 0.00 -2.02 0.00 0.00 63.50 61.81 3dxj n PRO 1332Cb 0.48 -1.17 -0.01 0.00 -0.02 0.00 0.00 33.50 32.79 3dxj n PRO 1332CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3dxj n HIS 1333N -1.16 -0.05 -0.28 6.00 8.25 -1.26 -0.95 115.22 125.77 3dxj n HIS 1333Ca 0.00 0.13 -0.07 0.00 -0.26 0.00 0.00 57.72 57.52 3dxj n HIS 1333Cb 0.00 -0.39 -0.07 0.00 1.12 0.00 0.00 29.99 30.65 3dxj n HIS 1333CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3dxj n GLN 1334N -3.05 -0.30 -0.35 -0.41 6.02 -1.24 0.85 117.38 118.91 3dxj n GLN 1334Ca 0.00 1.20 0.11 0.00 -0.01 0.00 0.00 57.00 58.30 3dxj n GLN 1334Cb 0.03 -1.77 0.22 0.00 1.02 0.00 0.00 30.24 29.74 3dxj n GLN 1334CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 3dxj h LEU 1335N 0.00 -0.68 -0.28 1.08 5.85 -0.70 0.46 115.31 121.04 3dxj h LEU 1335Ca 0.11 0.29 0.03 0.00 0.84 0.00 0.00 57.88 59.15 3dxj h LEU 1335Cb 0.28 0.54 -0.05 0.00 0.37 0.00 0.00 40.66 41.80 3dxj h LEU 1335CO -0.63 -0.34 -0.36 0.25 -0.34 0.00 0.00 178.44 177.01 3dxj h LEU 1336N 0.00 -1.22 0.00 2.25 5.85 0.90 -1.62 115.31 121.47 3dxj h LEU 1336Ca 0.54 0.16 0.00 0.00 0.84 0.00 0.00 57.88 59.43 3dxj h LEU 1336Cb 1.01 0.50 0.00 0.00 0.37 0.00 0.00 40.66 42.54 3dxj h LEU 1336CO -0.97 -0.26 0.00 -0.62 -0.34 0.00 0.00 178.44 176.25 3dxj n GLU 1337N -4.44 0.00 0.00 1.25 4.71 0.16 0.26 120.64 122.57 3dxj n GLU 1337Ca -0.02 0.80 0.00 0.00 -0.01 0.00 0.00 57.16 57.93 3dxj n GLU 1337Cb 0.22 -1.22 0.00 0.00 -1.01 0.00 0.00 31.44 29.43 3dxj n GLU 1337CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3dxj n ALA 1338N -2.69 0.00 -0.13 0.62 0.00 -1.04 -3.08 120.51 114.19 3dxj n ALA 1338Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 3dxj n ALA 1338Cb 0.00 0.07 0.02 0.00 0.00 0.00 0.00 19.45 19.54 3dxj n ALA 1338CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3dxj n LYS 1339N -0.50 1.23 0.00 0.00 5.02 -0.64 -4.91 118.16 118.36 3dxj n LYS 1339Ca 0.00 -0.48 0.00 0.00 -2.02 0.00 0.00 58.31 55.81 3dxj n LYS 1339Cb 0.00 -1.19 0.00 0.00 -0.02 0.00 0.00 35.03 33.82 3dxj n LYS 1339CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dxj n GLY 1340N 0.80 0.55 0.00 0.72 0.00 0.71 -3.21 105.19 104.76 3dxj n GLY 1340Ca 0.09 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.23 3dxj n GLY 1340CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3dxj n PRO 1341N -0.00 0.00 0.00 1.61 -0.02 -1.26 -3.65 135.00 131.68 3dxj n PRO 1341Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3dxj n PRO 1341Cb 0.00 -0.68 0.00 0.00 -0.02 0.00 0.00 33.50 32.80 3dxj n PRO 1341CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3dxj n GLU 1342N -0.18 0.00 0.35 -0.52 0.00 -1.26 0.24 120.64 119.27 3dxj n GLU 1342Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 57.16 57.01 3dxj n GLU 1342Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 31.44 31.37 3dxj n GLU 1342CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3dxj h ALA 1343N 0.00 -1.22 -0.17 -1.84 0.00 -1.64 -2.23 119.26 112.16 3dxj h ALA 1343Ca 0.00 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.76 3dxj h ALA 1343Cb 0.00 0.42 -0.07 0.00 0.00 0.00 0.00 17.79 18.14 3dxj h ALA 1343CO 0.00 -1.17 -0.39 -0.24 0.00 0.00 0.00 179.25 177.46 3dxj h VAL 1344N -0.93 0.19 -0.09 0.00 3.04 0.31 -0.70 116.25 118.07 3dxj h VAL 1344Ca -0.09 0.00 0.02 0.00 -1.01 0.00 0.00 66.70 65.62 3dxj h VAL 1344Cb 0.72 0.19 -0.03 0.00 -2.01 0.00 0.00 31.29 30.16 3dxj h VAL 1344CO 0.12 0.00 -0.27 -0.33 -1.01 0.00 0.00 177.57 176.08 3dxj h GLU 1345N -0.44 -0.26 -0.84 4.17 5.08 -1.57 0.20 114.58 120.92 3dxj h GLU 1345Ca 0.09 0.02 0.11 0.00 -1.00 0.00 0.00 59.36 58.58 3dxj h GLU 1345Cb 0.60 0.06 -0.12 0.00 0.50 0.00 0.00 28.75 29.78 3dxj h GLU 1345CO -0.41 -0.18 -0.40 -2.13 -1.00 0.00 0.00 179.01 174.90 3dxj n ARG 1346N -3.98 -0.27 0.00 2.33 0.63 -0.84 -0.63 116.66 113.90 3dxj n ARG 1346Ca -0.03 1.29 0.00 0.00 -0.92 0.00 0.00 57.85 58.19 3dxj n ARG 1346Cb 0.18 -1.90 0.00 0.00 0.45 0.00 0.00 32.46 31.19 3dxj n ARG 1346CO 0.00 0.00 0.00 0.98 -2.51 0.00 0.00 177.63 176.10 3dxj n TYR 1347N -5.17 0.00 -0.19 -0.14 9.36 0.14 -1.62 117.16 119.55 3dxj n TYR 1347Ca 0.06 0.00 -0.04 0.00 3.32 0.00 0.00 57.90 61.24 3dxj n TYR 1347Cb 0.29 -0.03 -0.03 0.00 -0.63 0.00 0.00 39.34 38.93 3dxj n TYR 1347CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 3dxj n LEU 1348N -0.94 -0.46 -0.03 2.98 4.77 0.48 0.87 117.00 124.67 3dxj n LEU 1348Ca 0.00 0.82 -0.02 0.00 -0.03 0.00 0.00 56.01 56.78 3dxj n LEU 1348Cb 0.00 -0.12 -0.01 0.00 -2.33 0.00 0.00 43.42 40.95 3dxj n LEU 1348CO 0.00 -0.68 0.50 0.58 -1.33 0.00 0.00 177.39 176.46 3dxj h VAL 1349N 0.00 0.00 0.69 4.08 2.07 -0.54 0.31 116.25 122.86 3dxj h VAL 1349Ca 0.09 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.58 3dxj h VAL 1349Cb 0.21 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.97 3dxj h VAL 1349CO -0.44 0.00 -0.50 -0.33 0.02 0.00 0.00 177.57 176.32 3dxj h GLU 1350N -0.05 -1.10 -0.84 1.57 4.39 0.48 -1.97 114.58 117.06 3dxj h GLU 1350Ca 0.01 0.07 0.33 0.00 0.34 0.00 0.00 59.36 60.12 3dxj h GLU 1350Cb 0.08 0.25 -0.15 0.00 -0.10 0.00 0.00 28.75 28.83 3dxj h GLU 1350CO -0.09 -0.73 0.38 -1.91 -1.16 0.00 0.00 179.01 175.50 3dxj n GLU 1351N -5.61 -0.05 0.26 2.33 4.07 0.25 0.05 120.64 121.94 3dxj n GLU 1351Ca -0.14 1.18 -0.12 0.00 -0.06 0.00 0.00 57.16 58.02 3dxj n GLU 1351Cb 0.49 -2.07 -0.06 0.00 -0.06 0.00 0.00 31.44 29.74 3dxj n GLU 1351CO 0.00 0.00 0.00 0.82 -0.06 0.00 0.00 177.13 177.89 3dxj h ILE 1352N 0.00 0.07 -0.95 6.31 2.04 0.10 -3.26 117.51 121.83 3dxj h ILE 1352Ca 0.68 -0.48 0.21 0.00 1.00 0.00 0.00 64.86 66.26 3dxj h ILE 1352Cb 1.75 0.10 -0.18 0.00 -0.74 0.00 0.00 36.82 37.75 3dxj h ILE 1352CO -0.67 0.01 -0.18 0.00 0.00 0.00 0.00 178.15 177.31 3dxj n GLN 1353N -5.25 -0.08 0.02 2.37 1.13 0.11 0.17 117.38 115.85 3dxj n GLN 1353Ca -0.09 1.46 0.13 0.00 -1.94 0.00 0.00 57.00 56.56 3dxj n GLN 1353Cb 0.29 -2.22 0.20 0.00 0.11 0.00 0.00 30.24 28.63 3dxj n GLN 1353CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 3dxj n LYS 1354N -5.51 0.02 -0.05 -1.09 5.02 -0.43 -0.57 118.16 115.55 3dxj n LYS 1354Ca 0.17 0.83 -0.03 0.00 -2.02 0.00 0.00 58.31 57.26 3dxj n LYS 1354Cb 0.53 -2.15 -0.01 0.00 -0.02 0.00 0.00 35.03 33.38 3dxj n LYS 1354CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3dxj h VAL 1355N 0.00 0.00 0.06 -0.18 2.07 -0.46 -3.15 116.25 114.59 3dxj h VAL 1355Ca 0.23 -0.76 0.03 0.00 0.82 0.00 0.00 66.70 67.02 3dxj h VAL 1355Cb 2.13 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 31.85 3dxj h VAL 1355CO -0.00 0.00 -0.38 1.88 0.02 0.00 0.00 177.57 179.09 3dxj h TYR 1356N -0.76 -1.06 -0.62 1.57 -1.99 -0.93 0.82 116.97 114.00 3dxj h TYR 1356Ca 0.00 0.03 0.11 0.00 2.00 0.00 0.00 58.73 60.87 3dxj h TYR 1356Cb 0.32 0.46 -0.08 0.00 2.00 0.00 0.00 36.73 39.43 3dxj h TYR 1356CO -0.14 -0.47 0.19 0.07 -0.00 0.00 0.00 178.16 177.81 3dxj h ARG 1357N -0.57 0.33 0.00 4.88 0.11 -1.23 0.90 114.38 118.80 3dxj h ARG 1357Ca 0.04 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.10 3dxj h ARG 1357Cb 0.63 -0.08 0.00 0.00 1.11 0.00 0.00 29.97 31.63 3dxj h ARG 1357CO -0.26 0.22 0.02 0.00 0.10 0.00 0.00 179.97 180.05 3dxj h ALA 1358N 1.46 1.01 -0.42 0.08 0.00 -1.12 0.94 119.26 121.22 3dxj h ALA 1358Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3dxj h ALA 1358Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3dxj h ALA 1358CO -0.36 -0.01 0.00 0.94 0.00 0.00 0.00 179.25 179.82 3dxj n GLN 1359N -2.54 3.12 -2.82 0.00 -0.06 0.29 -4.94 117.38 110.42 3dxj n GLN 1359Ca -0.02 -2.52 -0.17 0.00 -2.00 0.00 0.00 57.00 52.30 3dxj n GLN 1359Cb 0.06 -1.60 0.03 0.00 -4.06 0.00 0.00 30.24 24.67 3dxj n GLN 1359CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3dxj n GLY 1360N 0.45 -0.20 3.44 1.69 0.00 0.33 -4.98 105.19 105.91 3dxj n GLY 1360Ca 0.19 -0.11 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 3dxj n GLY 1360CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dxj s VAL 1361N -3.01 4.46 -0.42 1.61 1.01 0.22 -4.97 120.40 119.29 3dxj s VAL 1361Ca 0.23 -0.33 -0.24 0.00 0.00 0.00 0.00 61.98 61.64 3dxj s VAL 1361Cb -0.10 -3.20 0.02 0.00 0.00 0.00 0.00 36.38 33.10 3dxj s VAL 1361CO 0.28 0.18 0.83 -0.54 0.00 0.00 0.00 175.10 175.84 3dxj s LYS 1362N 1.61 3.56 -0.04 2.72 -0.14 -1.26 -3.51 119.74 122.68 3dxj s LYS 1362Ca 0.05 0.11 -0.01 0.00 -1.36 0.00 0.00 55.97 54.76 3dxj s LYS 1362Cb -0.16 -3.89 0.03 0.00 -1.68 0.00 0.00 37.83 32.12 3dxj s LYS 1362CO 0.05 -1.06 0.03 -1.17 -0.76 0.00 0.00 175.35 172.45 3dxj s LEU 1363N 3.36 0.66 0.36 3.17 0.20 -1.26 -4.19 118.68 120.96 3dxj s LEU 1363Ca 0.32 0.03 -0.28 0.00 0.69 0.00 0.00 54.13 54.90 3dxj s LEU 1363Cb -0.12 -0.17 -0.10 0.00 -0.43 0.00 0.00 46.19 45.38 3dxj s LEU 1363CO 0.22 -0.18 1.30 -2.28 -0.29 0.00 0.00 176.35 175.12 3dxj s HIS 1364N 1.61 2.97 0.15 5.38 5.65 -1.01 -4.88 115.29 125.15 3dxj s HIS 1364Ca -0.02 1.41 -0.24 0.00 0.25 0.00 0.00 55.06 56.46 3dxj s HIS 1364Cb -0.13 -3.67 0.01 0.00 -1.18 0.00 0.00 32.58 27.61 3dxj s HIS 1364CO -0.03 -1.92 1.62 -0.44 -0.65 0.00 0.00 174.74 173.31 3dxj h ASP 1365N 3.14 -0.92 0.00 9.88 3.45 -1.73 -3.30 116.42 126.94 3dxj h ASP 1365Ca -0.49 0.15 0.00 0.00 0.43 0.00 0.00 57.03 57.12 3dxj h ASP 1365Cb 1.23 0.41 0.00 0.00 -0.56 0.00 0.00 39.33 40.41 3dxj h ASP 1365CO 0.64 -0.32 0.00 0.29 -1.57 0.00 0.00 179.24 178.28 3dxj n LYS 1366N -5.40 0.00 0.00 3.56 5.02 -1.26 0.02 118.16 120.10 3dxj n LYS 1366Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 3dxj n LYS 1366Cb 0.31 -0.02 0.00 0.00 -0.02 0.00 0.00 35.03 35.30 3dxj n LYS 1366CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3dxj n HIS 1367N -0.12 0.00 0.34 2.13 8.25 -1.24 0.28 115.22 124.86 3dxj n HIS 1367Ca 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.30 3dxj n HIS 1367Cb 0.00 -0.43 -0.08 0.00 1.12 0.00 0.00 29.99 30.59 3dxj n HIS 1367CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3dxj h ILE 1368N 0.00 0.26 -0.98 1.59 2.04 -0.60 -2.80 117.51 117.01 3dxj h ILE 1368Ca 0.00 -0.24 0.35 0.00 1.00 0.00 0.00 64.86 65.97 3dxj h ILE 1368Cb 0.00 0.32 -0.17 0.00 -0.74 0.00 0.00 36.82 36.23 3dxj h ILE 1368CO 0.00 0.02 0.38 -0.33 0.00 0.00 0.00 178.15 178.22 3dxj h GLU 1369N -1.05 0.07 0.25 2.37 5.08 0.45 0.33 114.58 122.08 3dxj h GLU 1369Ca -0.09 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3dxj h GLU 1369Cb 0.71 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 3dxj h GLU 1369CO 0.15 0.05 -0.33 0.82 -1.00 0.00 0.00 179.01 178.69 3dxj h ILE 1370N 0.08 0.00 -1.08 3.13 2.04 -0.97 -0.90 117.51 119.81 3dxj h ILE 1370Ca 0.73 0.00 0.29 0.00 1.00 0.00 0.00 64.86 66.89 3dxj h ILE 1370Cb 1.77 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 37.77 3dxj h ILE 1370CO -0.77 0.00 0.72 0.58 0.00 0.00 0.00 178.15 178.67 3dxj h VAL 1371N -0.60 0.48 0.01 1.67 2.07 -0.19 -1.98 116.25 117.71 3dxj h VAL 1371Ca -0.03 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 3dxj h VAL 1371Cb 0.54 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 3dxj h VAL 1371CO -0.08 0.05 -0.00 0.58 0.02 0.00 0.00 177.57 178.13 3dxj h VAL 1372N 0.28 1.22 -0.99 2.57 2.07 0.26 -3.11 116.25 118.55 3dxj h VAL 1372Ca 0.59 -0.66 0.30 0.00 0.82 0.00 0.00 66.70 67.75 3dxj h VAL 1372Cb 1.74 1.67 -0.15 0.00 -1.52 0.00 0.00 31.29 33.03 3dxj h VAL 1372CO -0.23 0.17 0.53 -0.09 0.02 0.00 0.00 177.57 177.97 3dxj h ARG 1373N -0.29 0.33 0.00 1.57 2.43 -0.45 0.15 114.38 118.13 3dxj h ARG 1373Ca -0.00 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 3dxj h ARG 1373Cb 0.29 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.76 3dxj h ARG 1373CO 0.00 0.22 -0.07 1.96 -1.51 0.00 0.00 179.97 180.57 3dxj h GLN 1374N 0.34 0.00 0.00 0.20 1.08 -1.56 0.41 115.11 115.59 3dxj h GLN 1374Ca 0.70 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.79 3dxj h GLN 1374Cb 1.55 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.97 3dxj h GLN 1374CO -0.60 0.07 -0.55 0.52 -0.95 0.00 0.00 178.83 177.33 3dxj h MET 1375N 0.00 0.00 0.00 1.46 2.86 -0.78 -2.01 114.93 116.46 3dxj h MET 1375Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3dxj h MET 1375Cb 0.13 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.79 3dxj h MET 1375CO 0.01 0.55 -0.59 -1.33 1.06 0.00 0.00 176.91 176.61 3dxj n MET 1376N -3.53 0.07 -0.28 1.72 2.81 -0.30 -2.54 117.12 115.07 3dxj n MET 1376Ca -0.00 0.01 0.08 0.00 -1.81 0.00 0.00 57.70 55.98 3dxj n MET 1376Cb 0.63 -1.54 0.21 0.00 -0.71 0.00 0.00 33.22 31.82 3dxj n MET 1376CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 3dxj h LYS 1377N 0.00 0.13 -6.25 0.03 3.64 0.53 -3.42 116.57 111.24 3dxj h LYS 1377Ca 0.00 -0.01 -0.49 0.00 -1.27 0.00 0.00 60.65 58.88 3dxj h LYS 1377Cb 0.56 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 3dxj h LYS 1377CO 0.00 0.09 -0.36 0.71 -2.27 0.00 0.00 179.45 177.62 3dxj s TYR 1378N -6.05 3.47 0.10 1.91 1.51 -1.26 0.15 117.35 117.18 3dxj s TYR 1378Ca -0.13 0.16 -0.10 0.00 -1.01 0.00 0.00 57.07 55.99 3dxj s TYR 1378Cb 0.24 -1.72 0.01 0.00 -0.11 0.00 0.00 41.96 40.38 3dxj s TYR 1378CO 0.76 0.37 0.23 0.14 -1.11 0.00 0.00 175.55 175.94 3dxj s VAL 1379N -2.00 0.13 0.29 0.71 -7.23 0.17 -3.70 120.40 108.78 3dxj s VAL 1379Ca 0.36 -1.06 0.07 0.00 -1.81 0.00 0.00 61.98 59.54 3dxj s VAL 1379Cb -0.10 -1.31 -0.03 0.00 0.56 0.00 0.00 36.38 35.50 3dxj s VAL 1379CO 0.30 -0.58 0.28 -0.70 -0.31 0.00 0.00 175.10 174.10 3dxj s GLU 1380N -3.85 2.94 0.16 4.82 2.12 0.99 0.24 118.70 126.12 3dxj s GLU 1380Ca 0.05 -1.10 0.05 0.00 0.36 0.00 0.00 54.97 54.33 3dxj s GLU 1380Cb 0.04 -2.60 -0.04 0.00 0.26 0.00 0.00 34.13 31.79 3dxj s GLU 1380CO -0.11 0.26 0.11 0.54 -0.54 0.00 0.00 175.26 175.52 3dxj s VAL 1381N -2.18 4.40 0.00 3.70 0.11 -0.71 0.41 120.40 126.12 3dxj s VAL 1381Ca 0.37 -1.10 0.00 0.00 -2.93 0.00 0.00 61.98 58.33 3dxj s VAL 1381Cb -0.07 -3.23 0.00 0.00 -1.53 0.00 0.00 36.38 31.55 3dxj s VAL 1381CO 0.27 -0.09 0.00 0.35 -3.33 0.00 0.00 175.10 172.30 3dxj n THR 1382N -0.25 0.00 -3.83 5.04 -2.24 -0.54 -4.74 114.28 107.72 3dxj n THR 1382Ca -0.08 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.33 3dxj n THR 1382Cb 0.54 -0.13 -0.13 0.00 -2.10 0.00 0.00 70.33 68.52 3dxj n THR 1382CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3dxj s ASP 1383N -2.95 5.11 0.00 3.42 -1.08 0.96 -4.92 116.67 117.21 3dxj s ASP 1383Ca 0.00 -1.32 0.00 0.00 -0.52 0.00 0.00 52.55 50.71 3dxj s ASP 1383Cb 0.00 -1.79 0.00 0.00 -1.46 0.00 0.00 42.92 39.67 3dxj s ASP 1383CO 0.00 -0.32 0.40 -0.81 0.52 0.00 0.00 175.17 174.96 3dxj n PRO 1384N 4.70 0.00 0.00 4.34 -0.04 -1.26 -3.18 135.00 139.56 3dxj n PRO 1384Ca -0.12 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3dxj n PRO 1384Cb 0.44 -0.90 0.00 0.00 -0.04 0.00 0.00 33.50 32.99 3dxj n PRO 1384CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3dxj n GLY 1385N -0.52 2.48 0.00 0.55 0.00 -1.26 -3.77 105.19 102.67 3dxj n GLY 1385Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.49 3dxj n GLY 1385CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3dxj n ASP 1386N 2.64 0.00 -4.42 1.61 5.75 -1.26 -5.11 116.55 115.76 3dxj n ASP 1386Ca 0.00 -0.98 -0.23 0.00 -0.01 0.00 0.00 54.79 53.57 3dxj n ASP 1386Cb 0.00 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 39.99 3dxj n ASP 1386CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 3dxj s SER 1387N 0.00 2.59 0.51 -1.12 0.01 -1.25 -5.17 113.70 109.27 3dxj s SER 1387Ca 0.00 -1.44 0.00 0.00 1.31 0.00 0.00 55.95 55.82 3dxj s SER 1387Cb 0.00 0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.26 3dxj s SER 1387CO 0.00 -0.67 0.00 -2.11 0.41 0.00 0.00 173.24 170.87 3dxj n ARG 1388N -0.76 0.66 -0.09 12.44 1.85 -1.26 -4.25 116.66 125.25 3dxj n ARG 1388Ca -0.04 0.00 -0.23 0.00 -1.00 0.00 0.00 57.85 56.58 3dxj n ARG 1388Cb 0.66 0.00 -0.12 0.00 -1.05 0.00 0.00 32.46 31.95 3dxj n ARG 1388CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 3dxj n LEU 1389N 0.00 2.27 -0.23 2.89 4.77 -1.26 -4.34 117.00 121.10 3dxj n LEU 1389Ca 0.00 0.26 0.23 0.00 -0.03 0.00 0.00 56.01 56.46 3dxj n LEU 1389Cb 0.00 -0.97 0.58 0.00 -2.33 0.00 0.00 43.42 40.71 3dxj n LEU 1389CO 0.00 0.61 1.24 0.25 -1.33 0.00 0.00 177.39 178.15 3dxj h LEU 1390N -0.55 0.28 -8.05 2.23 5.85 -1.98 -3.30 115.31 109.78 3dxj h LEU 1390Ca -0.49 0.03 -0.77 0.00 0.84 0.00 0.00 57.88 57.50 3dxj h LEU 1390Cb 1.67 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 42.64 3dxj h LEU 1390CO -0.16 0.10 1.31 -0.62 -0.34 0.00 0.00 178.44 178.73 3dxj n GLU 1391N -4.44 0.07 -3.95 1.25 1.02 -1.26 -4.74 120.64 108.58 3dxj n GLU 1391Ca 0.20 0.02 -0.34 0.00 -0.02 0.00 0.00 57.16 57.01 3dxj n GLU 1391Cb 0.81 -1.56 -0.14 0.00 -0.02 0.00 0.00 31.44 30.53 3dxj n GLU 1391CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3dxj s GLY 1392N 6.02 1.69 0.28 0.62 0.00 -1.25 -1.75 107.32 112.93 3dxj s GLY 1392Ca 1.19 -1.63 0.08 0.00 0.00 0.00 0.00 44.72 44.36 3dxj s GLY 1392CO 0.65 0.61 -0.11 1.20 0.00 0.00 0.00 173.10 175.45 3dxj s GLN 1393N 1.27 1.58 -0.20 2.90 1.11 0.66 -4.69 119.66 122.28 3dxj s GLN 1393Ca -0.03 -1.77 -0.34 0.00 0.01 0.00 0.00 55.36 53.23 3dxj s GLN 1393Cb -0.18 -1.38 -0.11 0.00 -1.01 0.00 0.00 33.01 30.33 3dxj s GLN 1393CO -0.03 0.15 2.01 0.28 0.01 0.00 0.00 175.29 177.71 3dxj n VAL 1394N -0.59 0.41 -0.26 1.09 0.31 -1.26 0.46 118.33 118.50 3dxj n VAL 1394Ca -0.06 -0.19 -0.07 0.00 -0.01 0.00 0.00 64.34 64.01 3dxj n VAL 1394Cb 0.62 -1.84 -0.06 0.00 -0.91 0.00 0.00 33.84 31.64 3dxj n VAL 1394CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 3dxj n LEU 1395N 8.17 -0.66 -4.60 7.52 7.94 0.40 -4.22 117.00 131.56 3dxj n LEU 1395Ca 0.29 1.11 -0.43 0.00 -1.11 0.00 0.00 56.01 55.87 3dxj n LEU 1395Cb 0.28 -0.14 -0.02 0.00 0.53 0.00 0.00 43.42 44.07 3dxj n LEU 1395CO 0.74 -0.90 1.12 -0.70 -1.11 0.00 0.00 177.39 176.54 3dxj s GLU 1396N -5.30 3.64 0.00 1.96 -6.30 -1.26 -3.89 118.70 107.54 3dxj s GLU 1396Ca -0.07 0.69 0.00 0.00 -2.50 0.00 0.00 54.97 53.09 3dxj s GLU 1396Cb 0.07 -3.97 0.00 0.00 0.00 0.00 0.00 34.13 30.23 3dxj s GLU 1396CO 0.39 -1.49 0.00 1.63 0.02 0.00 0.00 175.26 175.80 3dxj n LYS 1397N 8.00 0.00 0.17 4.30 4.76 -1.26 -4.97 118.16 129.16 3dxj n LYS 1397Ca 0.14 0.00 0.14 0.00 -2.87 0.00 0.00 58.31 55.71 3dxj n LYS 1397Cb 0.49 0.00 0.50 0.00 -1.84 0.00 0.00 35.03 34.17 3dxj n LYS 1397CO 0.00 0.00 0.00 -1.49 -1.37 0.00 0.00 177.40 174.54 3dxj h TRP 1398N 0.00 0.00 0.00 2.13 -0.00 -1.91 -1.64 115.95 114.53 3dxj h TRP 1398Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.89 3dxj h TRP 1398Cb 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.29 3dxj h TRP 1398CO 0.00 0.00 -0.13 -0.25 -0.00 0.00 0.00 178.44 178.06 3dxj n ASP 1399N -2.55 0.21 -0.02 -3.49 8.00 -1.26 -0.06 116.55 117.39 3dxj n ASP 1399Ca 0.03 0.33 -0.06 0.00 0.71 0.00 0.00 54.79 55.80 3dxj n ASP 1399Cb 0.32 -0.34 -0.02 0.00 -0.02 0.00 0.00 41.12 41.05 3dxj n ASP 1399CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3dxj n VAL 1400N -1.60 1.16 0.30 2.53 0.31 -1.23 -4.06 118.33 115.75 3dxj n VAL 1400Ca 0.06 0.19 -0.12 0.00 -0.01 0.00 0.00 64.34 64.46 3dxj n VAL 1400Cb 0.35 -1.84 -0.06 0.00 -0.91 0.00 0.00 33.84 31.39 3dxj n VAL 1400CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3dxj h GLU 1401N -0.40 -0.74 0.00 5.55 3.07 -1.43 0.10 114.58 120.73 3dxj h GLU 1401Ca -0.07 0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 3dxj h GLU 1401Cb 0.62 0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.69 3dxj h GLU 1401CO -0.04 -0.49 0.00 0.00 -1.40 0.00 0.00 179.01 177.07 3dxj n ALA 1402N -2.44 2.57 0.72 3.43 0.00 0.59 -2.54 120.51 122.85 3dxj n ALA 1402Ca -0.10 -0.17 0.08 0.00 0.00 0.00 0.00 53.44 53.25 3dxj n ALA 1402Cb 0.30 -1.45 -0.04 0.00 0.00 0.00 0.00 19.45 18.26 3dxj n ALA 1402CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3dxj n LEU 1403N -0.98 1.17 0.00 0.00 7.94 0.91 -3.89 117.00 122.16 3dxj n LEU 1403Ca 0.21 -0.63 0.06 0.00 -1.11 0.00 0.00 56.01 54.53 3dxj n LEU 1403Cb 0.10 0.00 0.33 0.00 0.53 0.00 0.00 43.42 44.38 3dxj n LEU 1403CO 0.16 0.25 0.57 0.59 -1.11 0.00 0.00 177.39 177.84 3dxj n ASN 1404N -0.74 0.00 0.00 1.96 3.02 0.01 -1.55 115.26 117.96 3dxj n ASN 1404Ca 0.05 -0.83 0.00 0.00 -0.03 0.00 0.00 54.58 53.76 3dxj n ASN 1404Cb 0.29 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.46 3dxj n ASN 1404CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 3dxj n GLU 1405N -0.79 0.00 -0.00 3.52 -0.00 -1.25 -2.87 120.64 119.24 3dxj n GLU 1405Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.25 3dxj n GLU 1405Cb 0.04 -0.33 0.01 0.00 -0.00 0.00 0.00 31.44 31.16 3dxj n GLU 1405CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 3dxj n ARG 1406N 0.00 2.72 0.00 3.44 1.74 -1.26 0.79 116.66 124.09 3dxj n ARG 1406Ca 0.00 -1.47 0.00 0.00 -0.77 0.00 0.00 57.85 55.61 3dxj n ARG 1406Cb 0.00 -0.98 0.00 0.00 -1.02 0.00 0.00 32.46 30.46 3dxj n ARG 1406CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3dxj n LEU 1407N -0.50 0.00 0.00 0.55 4.77 -1.25 -4.64 117.00 115.93 3dxj n LEU 1407Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 3dxj n LEU 1407Cb 0.28 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 3dxj n LEU 1407CO 0.00 -0.39 0.35 -0.38 -1.33 0.00 0.00 177.39 175.64 3dxj n ILE 1408N -2.17 0.00 0.43 -0.08 5.41 -0.60 -2.41 119.36 119.94 3dxj n ILE 1408Ca 0.00 1.20 0.12 0.00 1.00 0.00 0.00 62.75 65.07 3dxj n ILE 1408Cb 0.00 -1.87 0.26 0.00 -0.71 0.00 0.00 39.64 37.33 3dxj n ILE 1408CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3dxj h ALA 1409N -1.74 0.92 0.00 -1.39 0.00 -1.79 -3.47 119.26 111.80 3dxj h ALA 1409Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3dxj h ALA 1409Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3dxj h ALA 1409CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.64 3dxj n GLU 1410N -2.60 0.00 0.12 0.00 1.02 -1.01 -4.79 120.64 113.38 3dxj n GLU 1410Ca 0.04 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.26 3dxj n GLU 1410Cb 0.48 -3.93 0.39 0.00 -0.02 0.00 0.00 31.44 28.36 3dxj n GLU 1410CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dxj n GLY 1411N -2.00 -0.70 3.06 0.62 0.00 -1.22 -4.71 105.19 100.25 3dxj n GLY 1411Ca 0.00 0.13 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 3dxj n GLY 1411CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dxj n LYS 1412N -2.01 -3.70 -3.47 1.61 5.02 0.24 -4.94 118.16 110.91 3dxj n LYS 1412Ca -0.01 0.67 -0.43 0.00 -2.02 0.00 0.00 58.31 56.53 3dxj n LYS 1412Cb 0.12 -5.42 -0.07 0.00 -0.02 0.00 0.00 35.03 29.64 3dxj n LYS 1412CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3dxj s THR 1413N -2.98 4.61 1.03 -0.18 2.01 -1.22 -4.94 115.64 113.98 3dxj s THR 1413Ca 0.29 -1.88 -0.13 0.00 0.31 0.00 0.00 61.69 60.28 3dxj s THR 1413Cb -0.14 -3.99 0.16 0.00 0.01 0.00 0.00 72.50 68.54 3dxj s THR 1413CO 0.36 -0.84 0.78 -2.65 -0.69 0.00 0.00 174.62 171.58 3dxj n PRO 1414N 4.78 -1.19 -3.50 4.92 -0.02 -1.26 -4.74 135.00 133.98 3dxj n PRO 1414Ca -0.06 -0.31 -0.29 0.00 -2.02 0.00 0.00 63.50 60.83 3dxj n PRO 1414Cb 0.41 -2.10 -0.12 0.00 -0.02 0.00 0.00 33.50 31.66 3dxj n PRO 1414CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3dxj s VAL 1415N -2.46 0.29 0.20 -1.45 -7.23 -1.26 -4.42 120.40 104.07 3dxj s VAL 1415Ca 0.64 -1.72 -0.26 0.00 -1.81 0.00 0.00 61.98 58.82 3dxj s VAL 1415Cb -0.22 -1.22 -0.08 0.00 0.56 0.00 0.00 36.38 35.42 3dxj s VAL 1415CO 0.63 -0.95 0.83 0.00 -0.31 0.00 0.00 175.10 175.30 3dxj s ALA 1416N 1.08 3.41 0.16 1.32 0.00 -1.19 -4.88 121.76 121.66 3dxj s ALA 1416Ca 0.17 0.43 0.02 0.00 0.00 0.00 0.00 51.96 52.58 3dxj s ALA 1416Cb -0.23 -3.03 -0.01 0.00 0.00 0.00 0.00 23.12 19.86 3dxj s ALA 1416CO -0.03 0.27 0.17 -2.67 0.00 0.00 0.00 175.76 173.50 3dxj n TRP 1417N 1.47 -0.56 -4.27 0.00 4.27 -1.26 -0.03 117.44 117.06 3dxj n TRP 1417Ca -0.04 -1.24 -0.18 0.00 -3.89 0.00 0.00 57.50 52.15 3dxj n TRP 1417Cb 0.48 0.18 -0.15 0.00 -1.36 0.00 0.00 31.31 30.47 3dxj n TRP 1417CO 0.00 0.00 0.00 0.21 -2.29 0.00 0.00 177.69 175.61 3dxj s LYS 1418N -2.55 0.62 0.22 -2.67 2.20 1.35 -4.72 119.74 114.20 3dxj s LYS 1418Ca 0.17 -0.25 -0.30 0.00 -0.36 0.00 0.00 55.97 55.23 3dxj s LYS 1418Cb 0.00 -0.61 -0.10 0.00 -1.51 0.00 0.00 37.83 35.62 3dxj s LYS 1418CO 0.12 0.14 1.41 -2.14 -0.36 0.00 0.00 175.35 174.52 3dxj s PRO 1419N -0.06 4.30 -0.05 4.03 0.02 -1.26 -0.00 135.00 141.97 3dxj s PRO 1419Ca 0.01 2.22 0.06 0.00 0.02 0.00 0.00 61.00 63.31 3dxj s PRO 1419Cb -0.04 -3.15 -0.01 0.00 0.02 0.00 0.00 34.50 31.32 3dxj s PRO 1419CO -0.00 -0.39 -0.24 -0.51 -0.33 0.00 0.00 177.00 175.53 3dxj s LEU 1420N -0.08 2.15 -0.24 -5.54 1.43 -1.24 -4.77 118.68 110.40 3dxj s LEU 1420Ca 0.60 -0.47 0.02 0.00 -1.03 0.00 0.00 54.13 53.25 3dxj s LEU 1420Cb -0.40 -1.39 0.06 0.00 0.03 0.00 0.00 46.19 44.48 3dxj s LEU 1420CO 0.40 0.27 -0.09 -0.22 0.23 0.00 0.00 176.35 176.94 3dxj s LEU 1421N -0.28 2.86 0.10 1.79 2.96 -1.26 -4.05 118.68 120.80 3dxj s LEU 1421Ca 0.00 -1.20 0.06 0.00 -0.22 0.00 0.00 54.13 52.77 3dxj s LEU 1421Cb -0.13 -1.34 -0.03 0.00 0.50 0.00 0.00 46.19 45.18 3dxj s LEU 1421CO 0.03 -0.20 -0.14 0.00 -1.32 0.00 0.00 176.35 174.72 3dxj s MET 1422N 1.28 0.95 0.38 1.98 0.23 -1.05 -4.97 119.30 118.09 3dxj s MET 1422Ca -0.06 -1.14 -0.26 0.00 -1.03 0.00 0.00 55.69 53.19 3dxj s MET 1422Cb -0.19 -0.87 -0.09 0.00 -1.53 0.00 0.00 34.83 32.15 3dxj s MET 1422CO -0.06 0.18 1.19 0.20 -2.03 0.00 0.00 175.02 174.49 3dxj s GLY 1423N -2.22 2.91 0.21 3.16 0.00 -1.26 -4.49 107.32 105.63 3dxj s GLY 1423Ca 0.05 1.02 -0.06 0.00 0.00 0.00 0.00 44.72 45.73 3dxj s GLY 1423CO 0.03 1.56 1.19 3.33 0.00 0.00 0.00 173.10 179.21 3dxj n VAL 1424N 0.27 -0.32 0.00 1.40 0.24 -1.14 0.70 118.33 119.49 3dxj n VAL 1424Ca 0.03 1.75 0.00 0.00 -2.04 0.00 0.00 64.34 64.08 3dxj n VAL 1424Cb 0.45 -2.43 0.00 0.00 -1.47 0.00 0.00 33.84 30.40 3dxj n VAL 1424CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 3dxj n THR 1425N -5.24 0.00 0.00 3.34 -1.04 -1.26 -2.80 114.28 107.27 3dxj n THR 1425Ca 0.12 1.39 0.00 0.00 -2.04 0.00 0.00 64.05 63.52 3dxj n THR 1425Cb 0.39 -1.95 0.00 0.00 -1.82 0.00 0.00 70.33 66.95 3dxj n THR 1425CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 3dxj n LYS 1426N -2.43 0.00 0.00 -2.82 3.00 0.22 -2.03 118.16 114.09 3dxj n LYS 1426Ca 0.00 0.17 0.00 0.00 -0.00 0.00 0.00 58.31 58.48 3dxj n LYS 1426Cb 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 35.03 34.34 3dxj n LYS 1426CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 3dxj n SER 1427N -0.36 0.00 -0.05 3.14 3.41 -0.75 0.78 113.62 119.79 3dxj n SER 1427Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.52 3dxj n SER 1427Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 3dxj n SER 1427CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dxj h ALA 1428N 0.00 -0.28 -0.57 7.33 0.00 -1.59 -0.42 119.26 123.73 3dxj h ALA 1428Ca 0.00 0.06 0.16 0.00 0.00 0.00 0.00 54.91 55.13 3dxj h ALA 1428Cb 0.00 0.64 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3dxj h ALA 1428CO 0.00 -0.76 0.96 1.25 0.00 0.00 0.00 179.25 180.70 3dxj h LEU 1429N -0.33 0.00 -3.27 0.00 5.85 0.97 1.66 115.31 120.20 3dxj h LEU 1429Ca 0.13 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.85 3dxj h LEU 1429Cb 0.53 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.56 3dxj h LEU 1429CO -0.43 0.00 0.00 -1.20 -0.34 0.00 0.00 178.44 176.47 3dxj n SER 1430N -3.09 5.03 -4.33 1.25 7.64 -0.17 -4.70 113.62 115.26 3dxj n SER 1430Ca 0.12 -2.61 -0.36 0.00 1.01 0.00 0.00 58.87 57.04 3dxj n SER 1430Cb 1.14 -0.61 0.07 0.00 -1.01 0.00 0.00 64.21 63.80 3dxj n SER 1430CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3dxj n THR 1431N 0.93 0.75 -0.15 0.44 -2.24 0.57 -4.90 114.28 109.67 3dxj n THR 1431Ca 0.26 -0.38 -0.11 0.00 -2.27 0.00 0.00 64.05 61.55 3dxj n THR 1431Cb 0.98 -0.46 -0.01 0.00 -2.10 0.00 0.00 70.33 68.74 3dxj n THR 1431CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3dxj h LYS 1432N -0.76 0.90 -6.53 -0.78 3.64 -1.94 -3.40 116.57 107.69 3dxj h LYS 1432Ca -0.44 -0.37 -0.57 0.00 -1.27 0.00 0.00 60.65 58.01 3dxj h LYS 1432Cb 1.33 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 33.06 3dxj h LYS 1432CO 0.36 1.02 1.00 0.45 -2.27 0.00 0.00 179.45 180.01 3dxj s SER 1433N -6.56 6.52 0.30 4.20 0.15 -1.26 -4.92 113.70 112.12 3dxj s SER 1433Ca -0.12 0.82 -0.02 0.00 0.70 0.00 0.00 55.95 57.33 3dxj s SER 1433Cb 0.11 -2.54 0.45 0.00 -1.71 0.00 0.00 66.02 62.33 3dxj s SER 1433CO 0.85 -1.28 1.96 4.11 1.20 0.00 0.00 173.24 180.08 3dxj h TRP 1434N 9.86 1.02 -0.01 3.44 0.09 -1.86 -3.17 115.95 125.33 3dxj h TRP 1434Ca -0.26 0.02 0.01 0.00 0.09 0.00 0.00 58.89 58.75 3dxj h TRP 1434Cb 1.09 -0.34 -0.03 0.00 0.08 0.00 0.00 29.16 29.96 3dxj h TRP 1434CO 0.95 0.65 -0.26 -0.07 0.09 0.00 0.00 178.44 179.80 3dxj h LEU 1435N 1.09 -0.79 -0.41 0.11 3.38 -1.96 0.90 115.31 117.64 3dxj h LEU 1435Ca 0.29 0.09 0.05 0.00 0.09 0.00 0.00 57.88 58.40 3dxj h LEU 1435Cb -0.10 0.30 -0.08 0.00 0.09 0.00 0.00 40.66 40.87 3dxj h LEU 1435CO -0.06 -0.25 -0.55 0.28 0.09 0.00 0.00 178.44 177.95 3dxj h SER 1436N -0.31 -1.85 -1.37 -0.43 0.02 -1.96 0.94 113.55 108.58 3dxj h SER 1436Ca 0.01 0.24 0.44 0.00 -0.84 0.00 0.00 61.79 61.64 3dxj h SER 1436Cb 0.34 0.76 -0.12 0.00 0.14 0.00 0.00 62.40 63.52 3dxj h SER 1436CO -0.18 -0.40 0.90 0.00 -1.14 0.00 0.00 176.83 176.02 3dxj h ALA 1437N -0.06 2.85 0.00 3.77 0.00 -1.42 1.48 119.26 125.88 3dxj h ALA 1437Ca 0.07 0.09 -0.18 0.00 0.00 0.00 0.00 54.91 54.89 3dxj h ALA 1437Cb 0.59 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 3dxj h ALA 1437CO -0.59 -1.45 -1.29 0.00 0.00 0.00 0.00 179.25 175.92 3dxj h ALA 1438N 1.53 0.66 0.00 0.00 0.00 0.25 -3.27 119.26 118.43 3dxj h ALA 1438Ca 0.81 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3dxj h ALA 1438Cb 2.64 0.23 0.00 0.00 0.00 0.00 0.00 17.79 20.66 3dxj h ALA 1438CO -0.36 0.98 0.01 0.45 0.00 0.00 0.00 179.25 180.34 3dxj n SER 1439N -2.99 0.22 -4.77 0.00 2.88 0.50 -4.38 113.62 105.08 3dxj n SER 1439Ca -0.08 0.59 -0.26 0.00 -1.33 0.00 0.00 58.87 57.79 3dxj n SER 1439Cb 0.86 -0.62 -0.06 0.00 -0.75 0.00 0.00 64.21 63.64 3dxj n SER 1439CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 3dxj s PHE 1440N -3.20 2.30 0.48 0.66 2.99 -1.06 -5.03 117.98 115.13 3dxj s PHE 1440Ca -0.01 -0.69 -0.17 0.00 0.00 0.00 0.00 56.93 56.06 3dxj s PHE 1440Cb 0.02 -1.90 -0.14 0.00 0.00 0.00 0.00 43.02 41.00 3dxj s PHE 1440CO 0.08 0.06 -0.12 0.94 -0.00 0.00 0.00 175.22 176.18 3dxj n GLN 1441N -1.34 0.00 -3.27 0.44 7.27 -1.26 -3.17 117.38 116.05 3dxj n GLN 1441Ca -0.04 0.00 -0.16 0.00 0.07 0.00 0.00 57.00 56.87 3dxj n GLN 1441Cb 0.65 -0.95 0.07 0.00 2.41 0.00 0.00 30.24 32.42 3dxj n GLN 1441CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 3dxj n ASN 1442N 2.39 -3.29 -0.17 1.69 4.05 -1.26 -4.92 115.26 113.75 3dxj n ASN 1442Ca 0.08 -0.49 -0.01 0.00 0.45 0.00 0.00 54.58 54.60 3dxj n ASN 1442Cb 0.45 -4.33 0.07 0.00 1.23 0.00 0.00 39.78 37.20 3dxj n ASN 1442CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 177.26 174.95 3dxj h THR 1443N -1.82 0.59 0.00 -0.44 2.02 -1.75 -3.10 112.91 108.42 3dxj h THR 1443Ca -0.49 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 66.65 3dxj h THR 1443Cb 1.29 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 68.16 3dxj h THR 1443CO 0.43 0.02 0.00 0.41 0.37 0.00 0.00 175.52 176.76 3dxj n THR 1444N -5.23 0.00 0.00 3.16 -1.04 -1.26 -2.38 114.28 107.53 3dxj n THR 1444Ca 0.06 1.39 0.00 0.00 -2.04 0.00 0.00 64.05 63.46 3dxj n THR 1444Cb 0.29 -1.97 0.00 0.00 -1.82 0.00 0.00 70.33 66.83 3dxj n THR 1444CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 3dxj n HIS 1445N -2.44 0.00 0.00 -1.42 -0.00 -1.17 -0.90 115.22 109.29 3dxj n HIS 1445Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 3dxj n HIS 1445Cb 0.00 -0.23 0.00 0.00 -0.00 0.00 0.00 29.99 29.76 3dxj n HIS 1445CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 3dxj n VAL 1446N -2.03 0.00 0.00 3.57 0.31 -1.12 -0.94 118.33 118.13 3dxj n VAL 1446Ca 0.00 0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.53 3dxj n VAL 1446Cb 0.00 -0.29 0.00 0.00 -0.91 0.00 0.00 33.84 32.64 3dxj n VAL 1446CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3dxj n LEU 1447N -1.04 0.00 -0.08 7.52 4.77 -0.47 -0.98 117.00 126.73 3dxj n LEU 1447Ca 0.00 0.57 0.00 0.00 -0.03 0.00 0.00 56.01 56.56 3dxj n LEU 1447Cb 0.00 -0.09 0.02 0.00 -2.33 0.00 0.00 43.42 41.02 3dxj n LEU 1447CO 0.00 -0.09 0.12 0.41 -1.33 0.00 0.00 177.39 176.51 3dxj n THR 1448N -1.35 -0.10 0.30 -5.08 -1.04 -0.08 0.15 114.28 107.08 3dxj n THR 1448Ca 0.00 0.47 -0.12 0.00 -2.04 0.00 0.00 64.05 62.36 3dxj n THR 1448Cb 0.00 -0.63 -0.06 0.00 -1.82 0.00 0.00 70.33 67.82 3dxj n THR 1448CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 3dxj h GLU 1449N 0.00 -0.73 -1.20 -2.82 4.39 0.48 -2.15 114.58 112.55 3dxj h GLU 1449Ca 0.08 0.05 0.34 0.00 0.34 0.00 0.00 59.36 60.18 3dxj h GLU 1449Cb 0.13 0.17 -0.06 0.00 -0.10 0.00 0.00 28.75 28.88 3dxj h GLU 1449CO -0.20 -0.49 0.84 0.00 -1.16 0.00 0.00 179.01 178.00 3dxj h ALA 1450N -1.61 2.94 0.68 3.43 0.00 0.27 0.66 119.26 125.63 3dxj h ALA 1450Ca -0.08 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3dxj h ALA 1450Cb 0.58 0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.46 3dxj h ALA 1450CO 0.13 -1.32 -0.33 0.00 0.00 0.00 0.00 179.25 177.73 3dxj h ALA 1451N 1.45 -0.91 -0.74 0.00 0.00 -0.19 1.59 119.26 120.45 3dxj h ALA 1451Ca 0.60 -0.21 0.14 0.00 0.00 0.00 0.00 54.91 55.45 3dxj h ALA 1451Cb 2.19 0.35 -0.10 0.00 0.00 0.00 0.00 17.79 20.24 3dxj h ALA 1451CO -0.10 -0.86 0.26 0.82 0.00 0.00 0.00 179.25 179.38 3dxj h ILE 1452N -1.23 0.62 0.00 0.00 1.08 -0.43 2.26 117.51 119.82 3dxj h ILE 1452Ca -0.09 -0.13 0.00 0.00 -0.39 0.00 0.00 64.86 64.24 3dxj h ILE 1452Cb 0.71 0.20 0.00 0.00 -3.07 0.00 0.00 36.82 34.66 3dxj h ILE 1452CO 0.15 0.07 0.00 0.00 -0.69 0.00 0.00 178.15 177.69 3dxj n ALA 1453N -2.55 2.47 -4.10 1.87 0.00 0.06 -4.04 120.51 114.21 3dxj n ALA 1453Ca 0.14 -0.14 -0.30 0.00 0.00 0.00 0.00 53.44 53.13 3dxj n ALA 1453Cb 0.42 -1.48 -0.03 0.00 0.00 0.00 0.00 19.45 18.36 3dxj n ALA 1453CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dxj n GLY 1454N 1.16 -0.29 3.64 0.00 0.00 0.76 -4.57 105.19 105.89 3dxj n GLY 1454Ca 0.15 0.15 -0.39 0.00 0.00 0.00 0.00 46.02 45.93 3dxj n GLY 1454CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dxj n LYS 1455N -4.42 1.17 -4.46 1.61 5.02 0.48 -4.62 118.16 112.94 3dxj n LYS 1455Ca -0.17 0.44 -0.34 0.00 -2.02 0.00 0.00 58.31 56.22 3dxj n LYS 1455Cb 0.61 -2.24 -0.10 0.00 -0.02 0.00 0.00 35.03 33.29 3dxj n LYS 1455CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3dxj s LYS 1456N -2.64 2.89 -0.21 1.97 1.02 -1.26 -2.65 119.74 118.86 3dxj s LYS 1456Ca 0.72 -0.46 -0.04 0.00 0.02 0.00 0.00 55.97 56.21 3dxj s LYS 1456Cb -0.44 -2.72 -0.02 0.00 -0.52 0.00 0.00 37.83 34.13 3dxj s LYS 1456CO 0.49 0.69 -0.02 0.34 -0.92 0.00 0.00 175.35 175.93 3dxj s ASP 1457N -0.88 4.54 0.80 2.83 -1.08 0.21 -4.77 116.67 118.33 3dxj s ASP 1457Ca 0.13 -0.31 -0.09 0.00 -0.52 0.00 0.00 52.55 51.76 3dxj s ASP 1457Cb -0.11 -1.78 0.12 0.00 -1.46 0.00 0.00 42.92 39.69 3dxj s ASP 1457CO 0.02 0.01 1.12 -1.61 0.52 0.00 0.00 175.17 175.24 3dxj s GLU 1458N 1.30 1.55 -0.70 4.34 8.01 -1.26 -1.38 118.70 130.55 3dxj s GLU 1458Ca 0.04 -0.47 0.04 0.00 0.01 0.00 0.00 54.97 54.59 3dxj s GLU 1458Cb -0.14 -2.08 0.28 0.00 -4.31 0.00 0.00 34.13 27.87 3dxj s GLU 1458CO -0.00 -1.70 0.94 1.28 0.01 0.00 0.00 175.26 175.79 3dxj n LEU 1459N -3.21 4.47 0.01 1.80 4.77 -1.26 -4.70 117.00 118.88 3dxj n LEU 1459Ca 0.12 -5.47 -0.17 0.00 -0.03 0.00 0.00 56.01 50.46 3dxj n LEU 1459Cb 0.60 -0.75 -0.14 0.00 -2.33 0.00 0.00 43.42 40.80 3dxj n LEU 1459CO 0.48 2.08 -0.64 0.16 -1.33 0.00 0.00 177.39 178.15 3dxj h ILE 1460N 3.11 0.79 -2.70 -0.08 3.07 -1.95 -3.47 117.51 116.28 3dxj h ILE 1460Ca 0.20 -2.53 -0.44 0.00 1.55 0.00 0.00 64.86 63.64 3dxj h ILE 1460Cb 0.60 2.53 0.05 0.00 -0.27 0.00 0.00 36.82 39.73 3dxj h ILE 1460CO 0.92 0.76 0.00 -0.83 -1.05 0.00 0.00 178.15 177.95 3dxj s GLY 1461N -5.32 1.80 -0.02 0.16 0.00 -1.26 -4.90 107.32 97.78 3dxj s GLY 1461Ca -0.14 -1.26 -0.00 0.00 0.00 0.00 0.00 44.72 43.32 3dxj s GLY 1461CO 0.80 -0.96 -0.00 1.41 0.00 0.00 0.00 173.10 174.35 3dxj h LEU 1462N -0.01 0.00 -0.52 0.66 3.38 -1.87 -3.25 115.31 113.71 3dxj h LEU 1462Ca -0.43 0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.62 3dxj h LEU 1462Cb 1.30 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.97 3dxj h LEU 1462CO 0.53 0.09 -0.23 1.17 0.09 0.00 0.00 178.44 180.10 3dxj n LYS 1463N -2.49 -0.15 0.08 1.13 4.81 -1.26 0.39 118.16 120.67 3dxj n LYS 1463Ca -0.00 0.79 -0.04 0.00 -0.87 0.00 0.00 58.31 58.19 3dxj n LYS 1463Cb 0.00 -1.17 -0.02 0.00 0.02 0.00 0.00 35.03 33.86 3dxj n LYS 1463CO 0.00 0.00 0.00 1.05 1.17 0.00 0.00 177.40 179.62 3dxj h GLU 1464N 0.00 -0.22 -1.23 1.64 4.11 -1.97 0.15 114.58 117.05 3dxj h GLU 1464Ca 0.16 0.02 0.40 0.00 0.07 0.00 0.00 59.36 60.00 3dxj h GLU 1464Cb 0.28 0.05 -0.13 0.00 0.50 0.00 0.00 28.75 29.46 3dxj h GLU 1464CO -0.51 -0.15 0.78 -0.97 0.07 0.00 0.00 179.01 178.24 3dxj h ASN 1465N -0.23 0.30 0.00 3.06 -1.24 -0.68 -1.47 115.58 115.32 3dxj h ASN 1465Ca -0.02 0.14 0.00 0.00 0.71 0.00 0.00 56.30 57.13 3dxj h ASN 1465Cb 0.19 0.12 0.00 0.00 0.73 0.00 0.00 38.32 39.36 3dxj h ASN 1465CO 0.00 -0.15 0.00 0.52 -1.29 0.00 0.00 177.43 176.51 3dxj n VAL 1466N -4.74 0.00 -0.01 2.57 0.31 0.16 -1.77 118.33 114.85 3dxj n VAL 1466Ca 0.35 0.76 0.16 0.00 -0.01 0.00 0.00 64.34 65.59 3dxj n VAL 1466Cb 1.30 -1.50 0.24 0.00 -0.91 0.00 0.00 33.84 32.98 3dxj n VAL 1466CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3dxj n ILE 1467N -1.14 0.00 0.11 2.52 3.06 0.46 0.74 119.36 125.13 3dxj n ILE 1467Ca 0.00 1.05 -0.05 0.00 -2.50 0.00 0.00 62.75 61.24 3dxj n ILE 1467Cb 0.00 -1.95 -0.03 0.00 0.54 0.00 0.00 39.64 38.21 3dxj n ILE 1467CO 0.00 0.00 0.00 0.25 -2.50 0.00 0.00 176.55 174.30 3dxj h LEU 1468N 0.00 -0.30 0.00 9.51 5.85 -1.30 -3.48 115.31 125.59 3dxj h LEU 1468Ca 0.28 0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.01 3dxj h LEU 1468Cb 2.33 0.08 0.00 0.00 0.37 0.00 0.00 40.66 43.44 3dxj h LEU 1468CO -0.00 0.03 0.00 0.61 -0.34 0.00 0.00 178.44 178.74 3dxj n GLY 1469N 0.68 0.09 3.94 3.75 0.00 0.23 -5.12 105.19 108.76 3dxj n GLY 1469Ca -0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.73 3dxj n GLY 1469CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3dxj s ARG 1470N 0.00 3.41 0.25 1.61 3.52 -0.73 -5.05 118.95 121.96 3dxj s ARG 1470Ca 0.00 -0.65 -0.31 0.00 -0.13 0.00 0.00 55.73 54.64 3dxj s ARG 1470Cb 0.00 -2.93 -0.12 0.00 -1.56 0.00 0.00 34.95 30.34 3dxj s ARG 1470CO 0.00 0.50 1.67 -0.11 -0.81 0.00 0.00 175.30 176.55 3dxj n LEU 1471N -0.72 4.23 -4.47 -0.88 7.94 -1.26 -4.38 117.00 117.47 3dxj n LEU 1471Ca -0.07 1.10 -0.43 0.00 -1.11 0.00 0.00 56.01 55.50 3dxj n LEU 1471Cb 0.55 -1.59 -0.00 0.00 0.53 0.00 0.00 43.42 42.90 3dxj n LEU 1471CO 0.48 0.19 0.14 -0.38 -1.11 0.00 0.00 177.39 176.71 3dxj n ILE 1472N 3.09 1.80 0.22 1.96 2.08 -1.26 -4.91 119.36 122.34 3dxj n ILE 1472Ca 0.12 -0.50 0.08 0.00 0.56 0.00 0.00 62.75 63.01 3dxj n ILE 1472Cb 0.36 -0.52 0.50 0.00 -0.75 0.00 0.00 39.64 39.23 3dxj n ILE 1472CO 0.00 0.00 0.00 -0.65 0.56 0.00 0.00 176.55 176.46 3dxj h PRO 1473N 1.06 0.00 0.00 0.38 0.11 -1.88 -3.29 132.00 128.38 3dxj h PRO 1473Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 3dxj h PRO 1473Cb 1.40 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.51 3dxj h PRO 1473CO 0.54 0.26 0.00 0.00 -0.21 0.00 0.00 178.00 178.59 3dxj n ALA 1474N -2.31 0.00 -0.81 -0.75 0.00 -1.23 -2.56 120.51 112.85 3dxj n ALA 1474Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3dxj n ALA 1474Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.83 3dxj n ALA 1474CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dxj n GLY 1475N 5.00 3.84 0.21 0.00 0.00 0.31 0.33 105.19 114.88 3dxj n GLY 1475Ca 0.00 0.12 0.08 0.00 0.00 0.00 0.00 46.02 46.22 3dxj n GLY 1475CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3dxj h THR 1476N 0.00 0.78 0.00 2.61 1.35 -1.91 -2.13 112.91 113.62 3dxj h THR 1476Ca 0.00 -1.16 0.00 0.00 -0.55 0.00 0.00 66.41 64.70 3dxj h THR 1476Cb 0.00 1.72 0.00 0.00 -1.73 0.00 0.00 68.15 68.14 3dxj h THR 1476CO 0.00 0.27 0.00 0.61 -0.25 0.00 0.00 175.52 176.15 3dxj n GLY 1477N -0.10 -0.85 3.58 5.82 0.00 0.99 -4.38 105.19 110.25 3dxj n GLY 1477Ca -0.01 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 3dxj n GLY 1477CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3dxj s SER 1478N -1.59 6.54 0.26 1.61 0.15 -0.80 -3.49 113.70 116.38 3dxj s SER 1478Ca 0.21 0.29 -0.07 0.00 0.70 0.00 0.00 55.95 57.09 3dxj s SER 1478Cb 0.10 -2.41 0.44 0.00 -1.71 0.00 0.00 66.02 62.44 3dxj s SER 1478CO 0.16 -0.82 1.43 0.47 1.20 0.00 0.00 173.24 175.68 3dxj n ASP 1479N 6.62 -0.31 -0.10 5.45 9.92 -1.26 -1.56 116.55 135.32 3dxj n ASP 1479Ca 0.04 1.58 0.04 0.00 -0.53 0.00 0.00 54.79 55.92 3dxj n ASP 1479Cb 0.48 -0.48 0.09 0.00 -0.64 0.00 0.00 41.12 40.57 3dxj n ASP 1479CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 3dxj n PHE 1480N -5.49 0.19 -0.04 1.24 7.35 -1.26 -1.49 117.46 117.96 3dxj n PHE 1480Ca 0.15 0.34 -0.06 0.00 -0.76 0.00 0.00 57.45 57.13 3dxj n PHE 1480Cb 0.48 -0.72 -0.04 0.00 0.35 0.00 0.00 39.48 39.55 3dxj n PHE 1480CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 3dxj n VAL 1481N -4.16 0.50 0.00 -2.13 0.31 -0.60 -4.80 118.33 107.45 3dxj n VAL 1481Ca 0.07 -0.21 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 3dxj n VAL 1481Cb 0.23 -0.81 0.00 0.00 -0.91 0.00 0.00 33.84 32.34 3dxj n VAL 1481CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3dxj n ARG 1482N -2.65 0.00 0.21 5.55 1.74 -0.55 0.11 116.66 121.07 3dxj n ARG 1482Ca -0.15 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.03 3dxj n ARG 1482Cb 0.68 0.00 0.35 0.00 -1.02 0.00 0.00 32.46 32.47 3dxj n ARG 1482CO 0.00 0.00 0.00 0.74 -1.52 0.00 0.00 177.63 176.85 3dxj h PHE 1483N 0.00 0.00 -0.20 -1.55 -1.00 -1.87 -3.48 116.94 108.84 3dxj h PHE 1483Ca 0.00 0.00 -0.16 0.00 2.81 0.00 0.00 57.97 60.62 3dxj h PHE 1483Cb 0.00 0.00 0.01 0.00 3.61 0.00 0.00 35.95 39.57 3dxj h PHE 1483CO 0.00 0.20 0.02 2.41 -1.61 0.00 0.00 178.31 179.33 3dxj n THR 1484N -3.25 0.00 -4.04 -1.55 -1.04 0.30 -4.91 114.28 99.79 3dxj n THR 1484Ca 0.01 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.74 3dxj n THR 1484Cb 0.49 -0.01 -0.05 0.00 -1.82 0.00 0.00 70.33 68.94 3dxj n THR 1484CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 3dxj s GLN 1485N 0.03 2.99 -0.21 -2.82 -0.21 -1.26 -5.12 119.66 113.05 3dxj s GLN 1485Ca 0.18 -0.74 -0.11 0.00 0.02 0.00 0.00 55.36 54.71 3dxj s GLN 1485Cb -0.26 -2.74 0.07 0.00 1.00 0.00 0.00 33.01 31.09 3dxj s GLN 1485CO 0.12 0.53 0.50 0.08 -2.12 0.00 0.00 175.29 174.39 3dxj s VAL 1486N -1.59 -0.09 0.05 1.09 1.01 -1.26 -5.16 120.40 114.45 3dxj s VAL 1486Ca 0.31 0.07 -0.12 0.00 0.00 0.00 0.00 61.98 62.24 3dxj s VAL 1486Cb -0.11 -0.74 0.01 0.00 0.00 0.00 0.00 36.38 35.55 3dxj s VAL 1486CO 0.24 0.03 0.26 0.68 0.00 0.00 0.00 175.10 176.30 3dxj s VAL 1487N 1.60 0.10 0.76 2.92 -7.23 -1.26 -5.17 120.40 112.13 3dxj s VAL 1487Ca -0.09 -0.82 -0.11 0.00 -1.81 0.00 0.00 61.98 59.15 3dxj s VAL 1487Cb -0.08 -1.00 0.05 0.00 0.56 0.00 0.00 36.38 35.91 3dxj s VAL 1487CO -0.15 -0.45 1.08 1.51 -0.31 0.00 0.00 175.10 176.78 3dxj s ASP 1488N -2.23 4.76 0.47 4.85 1.47 -1.26 -4.90 116.67 119.83 3dxj s ASP 1488Ca -0.03 1.48 0.19 0.00 1.18 0.00 0.00 52.55 55.37 3dxj s ASP 1488Cb 0.00 -2.26 1.15 0.00 -0.34 0.00 0.00 42.92 41.48 3dxj s ASP 1488CO -0.05 -1.82 2.01 1.56 0.68 0.00 0.00 175.17 177.55 3dxj h GLN 1489N -0.98 0.00 0.00 2.11 4.20 -2.02 0.14 115.11 118.56 3dxj h GLN 1489Ca -0.46 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.24 3dxj h GLN 1489Cb 1.24 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.02 3dxj h GLN 1489CO 0.57 0.17 -0.06 0.87 -0.67 0.00 0.00 178.83 179.71 3dxj h LYS 1490N 0.00 0.00 0.00 1.46 1.57 -2.01 0.46 116.57 118.05 3dxj h LYS 1490Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3dxj h LYS 1490Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 3dxj h LYS 1490CO 0.02 0.06 -1.23 2.41 -0.57 0.00 0.00 179.45 180.14 3dxj n THR 1491N -3.44 0.09 0.84 -0.16 -1.04 0.41 -3.69 114.28 107.28 3dxj n THR 1491Ca -0.02 -0.24 0.09 0.00 -2.04 0.00 0.00 64.05 61.85 3dxj n THR 1491Cb 0.20 0.37 0.46 0.00 -1.82 0.00 0.00 70.33 69.53 3dxj n THR 1491CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3dxj n LEU 1492N -1.91 0.00 -0.01 -4.42 4.77 0.14 0.29 117.00 115.86 3dxj n LEU 1492Ca 0.01 0.31 0.10 0.00 -0.03 0.00 0.00 56.01 56.41 3dxj n LEU 1492Cb 0.44 -0.31 -0.15 0.00 -2.33 0.00 0.00 43.42 41.07 3dxj n LEU 1492CO 0.42 -0.12 -0.49 0.29 -1.33 0.00 0.00 177.39 176.16 3dxj n LYS 1493N -1.31 0.50 0.04 3.23 4.76 -1.17 -4.23 118.16 119.98 3dxj n LYS 1493Ca 0.08 -0.12 -0.09 0.00 -2.87 0.00 0.00 58.31 55.31 3dxj n LYS 1493Cb 0.16 -1.49 0.05 0.00 -1.84 0.00 0.00 35.03 31.91 3dxj n LYS 1493CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3dxj h ALA 1494N 2.27 0.66 -0.66 7.82 0.00 -0.29 -3.18 119.26 125.88 3dxj h ALA 1494Ca 0.00 -0.57 0.11 0.00 0.00 0.00 0.00 54.91 54.46 3dxj h ALA 1494Cb 0.79 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.43 3dxj h ALA 1494CO 0.00 0.73 0.25 0.97 0.00 0.00 0.00 179.25 181.20 3dxj h ILE 1495N 0.32 0.72 -1.13 0.00 2.10 -1.67 -1.32 117.51 116.53 3dxj h ILE 1495Ca -0.02 -0.14 0.37 0.00 1.08 0.00 0.00 64.86 66.16 3dxj h ILE 1495Cb 1.21 0.27 -0.14 0.00 -1.09 0.00 0.00 36.82 37.07 3dxj h ILE 1495CO 0.11 0.08 0.69 -0.08 -1.08 0.00 0.00 178.15 177.87 3dxj h GLU 1496N 0.42 0.19 0.00 2.19 4.57 -1.79 0.44 114.58 120.59 3dxj h GLU 1496Ca 0.35 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.51 3dxj h GLU 1496Cb 0.47 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.01 3dxj h GLU 1496CO -0.35 0.12 0.00 0.39 -1.18 0.00 0.00 179.01 178.00 3dxj n GLU 1497N -4.89 0.00 0.00 1.92 -0.58 -0.50 0.41 120.64 117.01 3dxj n GLU 1497Ca 0.34 0.38 0.04 0.00 -0.42 0.00 0.00 57.16 57.50 3dxj n GLU 1497Cb 1.19 -1.18 0.20 0.00 -0.57 0.00 0.00 31.44 31.08 3dxj n GLU 1497CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3dxj n ALA 1498N -1.32 1.54 0.03 0.62 0.00 -0.85 0.98 120.51 121.51 3dxj n ALA 1498Ca 0.00 -0.04 -0.06 0.00 0.00 0.00 0.00 53.44 53.35 3dxj n ALA 1498Cb 0.00 -1.13 -0.11 0.00 0.00 0.00 0.00 19.45 18.22 3dxj n ALA 1498CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3dxj h ARG 1499N 0.00 0.00 0.00 0.00 1.12 0.11 -3.34 114.38 112.26 3dxj h ARG 1499Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 3dxj h ARG 1499Cb 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.03 3dxj h ARG 1499CO 0.00 0.63 -0.17 1.63 -3.11 0.00 0.00 179.97 178.94 3dxj n LYS 1500N -3.14 0.86 -0.12 0.20 5.02 0.17 -4.70 118.16 116.45 3dxj n LYS 1500Ca -0.08 -1.96 0.00 0.00 -2.02 0.00 0.00 58.31 54.25 3dxj n LYS 1500Cb 0.95 -1.12 0.00 0.00 -0.02 0.00 0.00 35.03 34.84 3dxj n LYS 1500CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 3dxj n GLU 1501N -0.89 0.85 0.00 1.97 2.13 0.28 -1.11 120.64 123.87 3dxj n GLU 1501Ca 0.10 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.92 3dxj n GLU 1501Cb 0.65 -1.08 0.00 0.00 0.27 0.00 0.00 31.44 31.28 3dxj n GLU 1501CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3dxj n ALA 1502N 0.85 0.70 -2.23 4.31 0.00 -1.26 -4.94 120.51 117.94 3dxj n ALA 1502Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 3dxj n ALA 1502Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 3dxj n ALA 1502CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3dxj n VAL 1503N -0.52 3.95 -2.13 0.00 0.31 -0.27 -4.87 118.33 114.80 3dxj n VAL 1503Ca 0.00 -3.89 -0.42 0.00 -0.01 0.00 0.00 64.34 60.01 3dxj n VAL 1503Cb 0.00 -2.46 0.00 0.00 -0.91 0.00 0.00 33.84 30.47 3dxj n VAL 1503CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3dxj n GLU 1504N 5.61 3.21 -0.94 5.55 -0.58 -1.26 -5.12 120.64 127.11 3dxj n GLU 1504Ca 0.45 -3.11 0.00 0.00 -0.42 0.00 0.00 57.16 54.09 3dxj n GLU 1504Cb 0.40 -3.16 0.00 0.00 -0.57 0.00 0.00 31.44 28.11 3dxj n GLU 1504CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65