#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dxj s LYS 3 N 0.00 1.91 0.26 1.64 -2.85 -1.26 -5.17 119.74 114.27 3dxj s LYS 3 Ca 0.00 -2.16 0.07 0.00 -1.00 0.00 0.00 55.97 52.87 3dxj s LYS 3 Cb 0.00 -0.49 -0.03 0.00 -2.06 0.00 0.00 37.83 35.25 3dxj s LYS 3 CO 0.00 -0.51 0.25 -1.83 0.10 0.00 0.00 175.35 173.36 3dxj s GLU 4 N -3.68 3.04 0.25 1.78 -1.05 -1.26 -5.13 118.70 112.66 3dxj s GLU 4 Ca 0.26 -1.00 0.06 0.00 -0.15 0.00 0.00 54.97 54.14 3dxj s GLU 4 Cb 0.02 -2.64 -0.03 0.00 -0.44 0.00 0.00 34.13 31.04 3dxj s GLU 4 CO 0.16 0.38 0.30 0.08 0.95 0.00 0.00 175.26 177.14 3dxj s VAL 5 N -2.11 4.90 0.00 1.83 1.01 -1.26 -5.01 120.40 119.76 3dxj s VAL 5 Ca 0.34 -1.14 0.00 0.00 0.00 0.00 0.00 61.98 61.17 3dxj s VAL 5 Cb -0.08 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.63 3dxj s VAL 5 CO 0.26 -0.33 0.04 0.54 0.00 0.00 0.00 175.10 175.62 3dxj n ARG 6 N -1.33 0.00 -3.63 2.72 1.74 -1.26 -5.08 116.66 109.81 3dxj n ARG 6 Ca -0.08 -0.04 -0.15 0.00 -0.77 0.00 0.00 57.85 56.80 3dxj n ARG 6 Cb 0.57 -0.26 -0.07 0.00 -1.02 0.00 0.00 32.46 31.68 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 0.84 -0.03 5.56 1.02 -1.26 -3.93 119.74 121.95 3dxj s LYS 7 Ca 0.00 0.21 0.03 0.00 0.02 0.00 0.00 55.97 56.23 3dxj s LYS 7 Cb 0.00 0.39 -0.00 0.00 -0.52 0.00 0.00 37.83 37.70 3dxj s LYS 7 CO 0.00 -0.23 -0.12 0.54 -0.92 0.00 0.00 175.35 174.62 3dxj s VAL 8 N -0.94 0.99 0.17 3.17 0.11 -1.25 -5.03 120.40 117.62 3dxj s VAL 8 Ca -0.10 -0.48 0.06 0.00 -2.93 0.00 0.00 61.98 58.53 3dxj s VAL 8 Cb -0.03 -0.86 -0.04 0.00 -1.53 0.00 0.00 36.38 33.93 3dxj s VAL 8 CO 0.06 0.30 0.09 -0.60 -3.33 0.00 0.00 175.10 171.62 3dxj s ARG 9 N 0.07 2.74 -0.32 1.54 3.52 -1.26 -2.86 118.95 122.39 3dxj s ARG 9 Ca -0.02 -0.95 -0.02 0.00 -0.13 0.00 0.00 55.73 54.61 3dxj s ARG 9 Cb -0.09 -2.55 0.11 0.00 -1.56 0.00 0.00 34.95 30.86 3dxj s ARG 9 CO 0.01 0.48 0.15 -1.50 -0.81 0.00 0.00 175.30 173.63 3dxj s ILE 10 N -1.75 0.18 0.35 4.11 2.07 -1.08 -5.04 121.20 120.06 3dxj s ILE 10 Ca 0.30 -1.20 0.05 0.00 -1.41 0.00 0.00 60.65 58.39 3dxj s ILE 10 Cb -0.10 -1.16 -0.07 0.00 0.13 0.00 0.00 42.46 41.27 3dxj s ILE 10 CO 0.22 -0.81 0.04 0.00 -1.91 0.00 0.00 174.94 172.48 3dxj s ALA 11 N 1.66 2.65 1.02 1.50 0.00 -1.26 -3.10 121.76 124.22 3dxj s ALA 11 Ca 0.12 -2.15 -0.13 0.00 0.00 0.00 0.00 51.96 49.81 3dxj s ALA 11 Cb -0.19 0.49 0.20 0.00 0.00 0.00 0.00 23.12 23.62 3dxj s ALA 11 CO -0.23 -0.24 1.09 -0.51 0.00 0.00 0.00 175.76 175.87 3dxj s LEU 12 N -3.57 1.48 -0.26 0.00 1.43 -1.25 -4.95 118.68 111.57 3dxj s LEU 12 Ca 0.36 1.15 -0.03 0.00 -1.03 0.00 0.00 54.13 54.58 3dxj s LEU 12 Cb 0.09 -3.29 0.02 0.00 0.03 0.00 0.00 46.19 43.04 3dxj s LEU 12 CO 0.16 -3.25 -0.03 0.00 0.23 0.00 0.00 176.35 173.47 3dxj s ALA 13 N -2.96 2.79 0.33 4.21 0.00 -1.26 -5.08 121.76 119.80 3dxj s ALA 13 Ca 0.66 -1.44 -0.28 0.00 0.00 0.00 0.00 51.96 50.90 3dxj s ALA 13 Cb -0.19 -1.79 -0.10 0.00 0.00 0.00 0.00 23.12 21.04 3dxj s ALA 13 CO 0.58 -0.81 1.23 -1.12 0.00 0.00 0.00 175.76 175.64 3dxj s SER 14 N 1.38 6.83 0.24 0.00 0.01 -1.26 -4.78 113.70 116.12 3dxj s SER 14 Ca 0.01 2.52 -0.05 0.00 1.31 0.00 0.00 55.95 59.74 3dxj s SER 14 Cb -0.17 -2.64 0.46 0.00 0.21 0.00 0.00 66.02 63.89 3dxj s SER 14 CO -0.03 -0.48 1.67 -0.65 0.41 0.00 0.00 173.24 174.17 3dxj h PRO 15 N 3.32 0.21 -0.28 12.44 0.11 -1.93 0.87 132.00 146.74 3dxj h PRO 15 Ca -0.48 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 65.67 3dxj h PRO 15 Cb 1.23 -0.05 -0.08 0.00 0.11 0.00 0.00 31.00 32.21 3dxj h PRO 15 CO 0.65 0.14 -0.38 0.93 -0.21 0.00 0.00 178.00 179.13 3dxj h GLU 16 N 0.22 -0.35 -0.83 1.05 3.07 -1.98 0.81 114.58 116.56 3dxj h GLU 16 Ca 0.42 0.02 0.17 0.00 -0.50 0.00 0.00 59.36 59.48 3dxj h GLU 16 Cb 0.73 0.08 -0.06 0.00 -0.84 0.00 0.00 28.75 28.66 3dxj h GLU 16 CO -0.55 -0.23 0.55 -0.22 -1.40 0.00 0.00 179.01 177.16 3dxj h LYS 17 N -0.36 0.41 0.00 2.33 3.64 0.12 0.58 116.57 123.28 3dxj h LYS 17 Ca 0.12 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3dxj h LYS 17 Cb 0.58 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 3dxj h LYS 17 CO -0.48 0.27 -0.00 0.82 -2.27 0.00 0.00 179.45 177.79 3dxj h ILE 18 N 0.42 1.51 -0.26 2.00 2.04 0.49 -3.10 117.51 120.61 3dxj h ILE 18 Ca 0.42 -1.51 0.03 0.00 1.00 0.00 0.00 64.86 64.80 3dxj h ILE 18 Cb 1.00 2.53 -0.01 0.00 -0.74 0.00 0.00 36.82 39.60 3dxj h ILE 18 CO -0.15 0.39 0.18 0.03 0.00 0.00 0.00 178.15 178.60 3dxj h ARG 19 N -0.65 0.24 -0.33 2.37 3.08 0.16 0.39 114.38 119.65 3dxj h ARG 19 Ca -0.00 -0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.13 3dxj h ARG 19 Cb 0.64 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.63 3dxj h ARG 19 CO 0.00 0.16 0.26 0.66 -1.07 0.00 0.00 179.97 179.98 3dxj h SER 20 N 0.25 0.00 0.00 7.04 4.64 0.17 -3.18 113.55 122.47 3dxj h SER 20 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 3dxj h SER 20 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 3dxj h SER 20 CO -0.02 0.00 -0.17 -0.50 -0.87 0.00 0.00 176.83 175.27 3dxj h TRP 21 N 0.00 0.00 -0.61 4.77 6.55 -0.22 -3.47 115.95 122.97 3dxj h TRP 21 Ca 0.16 0.00 -0.77 0.00 0.95 0.00 0.00 58.89 59.23 3dxj h TRP 21 Cb 0.67 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.97 3dxj h TRP 21 CO 0.00 0.00 0.82 -1.13 -1.05 0.00 0.00 178.44 177.08 3dxj n SER 22 N -3.89 0.96 -1.19 -3.49 3.41 -1.00 -4.69 113.62 103.74 3dxj n SER 22 Ca -0.02 0.93 -0.03 0.00 -0.26 0.00 0.00 58.87 59.48 3dxj n SER 22 Cb 0.09 -0.81 0.02 0.00 -0.26 0.00 0.00 64.21 63.26 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 4.68 0.42 0.00 7.33 4.02 0.28 -4.85 117.16 129.05 3dxj n TYR 23 Ca 0.35 -0.71 0.00 0.00 -0.01 0.00 0.00 57.90 57.53 3dxj n TYR 23 Cb -0.05 -0.36 0.00 0.00 -0.02 0.00 0.00 39.34 38.91 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 0.32 2.73 3.00 2.72 0.00 -1.26 -4.53 105.19 108.17 3dxj n GLY 24 Ca 0.08 -1.59 -0.31 0.00 0.00 0.00 0.00 46.02 44.20 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 -1.94 1.91 0.02 1.61 -6.30 -1.26 -0.90 118.70 111.84 3dxj s GLU 25 Ca 0.00 -1.14 -0.30 0.00 -2.50 0.00 0.00 54.97 51.02 3dxj s GLU 25 Cb 0.00 -2.72 -0.06 0.00 0.00 0.00 0.00 34.13 31.36 3dxj s GLU 25 CO 0.00 -0.58 1.42 0.08 0.02 0.00 0.00 175.26 176.20 3dxj s VAL 26 N 1.27 3.62 -0.20 3.70 1.01 -0.77 -4.83 120.40 124.20 3dxj s VAL 26 Ca -0.07 1.04 0.03 0.00 0.00 0.00 0.00 61.98 62.97 3dxj s VAL 26 Cb -0.19 -3.67 -0.01 0.00 0.00 0.00 0.00 36.38 32.51 3dxj s VAL 26 CO -0.06 0.01 0.26 -0.62 0.00 0.00 0.00 175.10 174.69 3dxj n GLU 27 N 5.22 4.07 -4.38 2.72 1.02 -1.00 -4.69 120.64 123.59 3dxj n GLU 27 Ca 0.13 -0.21 -0.33 0.00 -0.02 0.00 0.00 57.16 56.73 3dxj n GLU 27 Cb 0.43 -0.76 -0.16 0.00 -0.02 0.00 0.00 31.44 30.94 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 -0.95 3.14 0.00 3.49 -0.14 -1.09 -4.98 119.74 119.22 3dxj s LYS 28 Ca 0.02 -0.78 0.04 0.00 -1.36 0.00 0.00 55.97 53.89 3dxj s LYS 28 Cb 0.02 -2.62 0.23 0.00 -1.68 0.00 0.00 37.83 33.78 3dxj s LYS 28 CO 0.09 -0.07 0.62 -2.30 -0.76 0.00 0.00 175.35 172.93 3dxj n PRO 29 N 4.28 0.37 -2.80 -1.68 -0.02 -1.26 -3.69 135.00 130.20 3dxj n PRO 29 Ca -0.20 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 60.88 3dxj n PRO 29 Cb 0.51 -1.16 -0.05 0.00 -0.02 0.00 0.00 33.50 32.79 3dxj n PRO 29 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3dxj s GLU 30 N -2.00 4.63 -0.04 -0.52 8.01 -1.26 -4.84 118.70 122.68 3dxj s GLU 30 Ca 0.06 1.33 -0.03 0.00 0.01 0.00 0.00 54.97 56.35 3dxj s GLU 30 Cb 0.03 -3.38 -0.01 0.00 -4.31 0.00 0.00 34.13 26.46 3dxj s GLU 30 CO 0.04 0.22 -0.05 1.79 0.01 0.00 0.00 175.26 177.27 3dxj h THR 31 N 4.11 0.00 -2.18 3.63 1.35 -1.93 -2.05 112.91 115.84 3dxj h THR 31 Ca -0.43 -0.33 -0.07 0.00 -0.55 0.00 0.00 66.41 65.03 3dxj h THR 31 Cb 1.21 0.00 -0.19 0.00 -1.73 0.00 0.00 68.15 67.44 3dxj h THR 31 CO 0.72 0.00 0.11 -0.63 -0.25 0.00 0.00 175.52 175.46 3dxj s ILE 32 N -1.37 0.01 0.55 6.82 1.01 -1.26 -2.95 121.20 124.00 3dxj s ILE 32 Ca -0.04 -0.08 -0.16 0.00 0.00 0.00 0.00 60.65 60.37 3dxj s ILE 32 Cb 0.01 -0.93 -0.06 0.00 0.01 0.00 0.00 42.46 41.48 3dxj s ILE 32 CO 0.06 -0.04 1.02 0.21 0.00 0.00 0.00 174.94 176.19 3dxj s ASN 33 N -1.14 6.24 -0.01 3.58 3.84 -0.41 -4.80 114.94 122.24 3dxj s ASN 33 Ca -0.11 1.69 0.02 0.00 0.21 0.00 0.00 52.86 54.67 3dxj s ASN 33 Cb -0.01 -2.52 -0.26 0.00 -0.55 0.00 0.00 41.25 37.91 3dxj s ASN 33 CO 0.09 -0.85 0.81 0.10 -2.79 0.00 0.00 177.10 174.45 3dxj h TYR 34 N 0.72 0.29 -0.86 0.43 -0.00 -1.96 -1.76 116.97 113.82 3dxj h TYR 34 Ca -0.47 -0.21 -0.02 0.00 0.00 0.00 0.00 58.73 58.03 3dxj h TYR 34 Cb 1.20 -0.01 -0.04 0.00 0.00 0.00 0.00 36.73 37.88 3dxj h TYR 34 CO 0.61 1.29 0.45 -0.09 -0.00 0.00 0.00 178.16 180.41 3dxj h ARG 35 N 0.04 1.22 0.00 0.10 2.43 -1.99 -3.29 114.38 112.89 3dxj h ARG 35 Ca -0.25 -0.16 -0.02 0.00 -0.81 0.00 0.00 59.98 58.75 3dxj h ARG 35 Cb 1.99 -0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 31.30 3dxj h ARG 35 CO 0.13 0.91 -1.43 2.41 -1.51 0.00 0.00 179.97 180.48 3dxj n THR 36 N -4.32 0.06 -2.79 0.20 -1.04 -1.26 -4.99 114.28 100.14 3dxj n THR 36 Ca 0.09 -0.22 -0.06 0.00 -2.04 0.00 0.00 64.05 61.81 3dxj n THR 36 Cb 0.12 0.18 0.02 0.00 -1.82 0.00 0.00 70.33 68.83 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 -1.87 -2.39 -4.72 -4.42 4.77 -0.67 -5.01 117.00 102.70 3dxj n LEU 37 Ca -0.03 -0.15 -0.37 0.00 -0.03 0.00 0.00 56.01 55.44 3dxj n LEU 37 Cb 0.29 -1.19 -0.07 0.00 -2.33 0.00 0.00 43.42 40.13 3dxj n LEU 37 CO 0.19 0.18 0.02 -0.54 -1.33 0.00 0.00 177.39 175.90 3dxj s LYS 38 N -5.33 4.27 -0.55 3.23 -0.14 -1.20 -4.80 119.74 115.22 3dxj s LYS 38 Ca 0.15 0.15 -0.29 0.00 -1.36 0.00 0.00 55.97 54.62 3dxj s LYS 38 Cb -0.07 -3.44 -0.11 0.00 -1.68 0.00 0.00 37.83 32.54 3dxj s LYS 38 CO 0.20 0.20 2.42 -2.30 -0.76 0.00 0.00 175.35 175.11 3dxj n PRO 39 N 3.67 0.90 -1.44 -1.68 -0.02 -1.26 -1.29 135.00 133.87 3dxj n PRO 39 Ca -0.11 0.10 -0.38 0.00 -2.02 0.00 0.00 63.50 61.09 3dxj n PRO 39 Cb 0.52 -2.82 0.04 0.00 -0.02 0.00 0.00 33.50 31.22 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 8.72 0.49 -1.82 -0.52 4.07 -1.15 -4.30 120.64 126.13 3dxj n GLU 40 Ca 0.44 0.20 -0.41 0.00 -0.06 0.00 0.00 57.16 57.32 3dxj n GLU 40 Cb 0.36 -1.73 -0.01 0.00 -0.06 0.00 0.00 31.44 30.00 3dxj n GLU 40 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 3dxj s ARG 41 N -2.20 4.14 0.00 5.31 1.81 -1.26 -2.08 118.95 124.68 3dxj s ARG 41 Ca 0.68 2.53 0.00 0.00 -1.72 0.00 0.00 55.73 57.23 3dxj s ARG 41 Cb -0.43 -3.03 0.00 0.00 -0.45 0.00 0.00 34.95 31.04 3dxj s ARG 41 CO 0.55 -0.58 0.00 -0.25 -0.68 0.00 0.00 175.30 174.34 3dxj n ASP 42 N 1.91 -4.31 -1.80 0.23 8.00 -1.26 -4.82 116.55 114.50 3dxj n ASP 42 Ca 0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.57 3dxj n ASP 42 Cb 0.38 -2.99 0.00 0.00 -0.02 0.00 0.00 41.12 38.49 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 -0.01 0.47 0.04 0.44 0.00 -0.88 -2.38 105.19 102.86 3dxj n GLY 43 Ca 0.00 -1.87 0.06 0.00 0.00 0.00 0.00 46.02 44.21 3dxj n GLY 43 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3dxj n LEU 44 N 0.00 0.17 0.00 0.99 4.77 -0.77 -2.54 117.00 119.62 3dxj n LEU 44 Ca 0.00 0.56 0.00 0.00 -0.03 0.00 0.00 56.01 56.54 3dxj n LEU 44 Cb 0.00 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.54 3dxj n LEU 44 CO 0.00 -0.45 0.17 0.49 -1.33 0.00 0.00 177.39 176.26 3dxj n PHE 45 N -1.70 0.00 -1.50 -1.77 3.01 -1.26 -4.73 117.46 109.51 3dxj n PHE 45 Ca 0.02 -0.05 -0.15 0.00 1.01 0.00 0.00 57.45 58.28 3dxj n PHE 45 Cb 0.11 -0.01 -0.12 0.00 -0.01 0.00 0.00 39.48 39.46 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 -0.05 0.43 0.14 4.37 2.03 -1.05 -4.65 116.55 117.76 3dxj n ASP 46 Ca 0.00 -1.31 0.05 0.00 0.52 0.00 0.00 54.79 54.04 3dxj n ASP 46 Cb 0.30 -1.24 0.25 0.00 -0.72 0.00 0.00 41.12 39.71 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 7.36 0.06 0.13 -0.67 0.28 -1.26 0.82 120.64 127.37 3dxj n GLU 47 Ca 0.49 0.50 0.17 0.00 -0.16 0.00 0.00 57.16 58.16 3dxj n GLU 47 Cb 0.35 -2.06 0.73 0.00 1.43 0.00 0.00 31.44 31.89 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 0.00 0.00 3.44 3.08 -1.83 -0.81 114.38 118.26 3dxj h ARG 48 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3dxj h ARG 48 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.76 3dxj h ARG 48 CO 0.00 0.00 -0.04 -0.89 -1.07 0.00 0.00 179.97 177.97 3dxj n ILE 49 N -4.17 0.10 0.17 2.04 5.41 0.24 -4.71 119.36 118.44 3dxj n ILE 49 Ca 0.04 0.48 0.03 0.00 1.00 0.00 0.00 62.75 64.30 3dxj n ILE 49 Cb 0.40 -1.56 0.26 0.00 -0.71 0.00 0.00 39.64 38.04 3dxj n ILE 49 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 176.55 176.29 3dxj h PHE 50 N -0.07 0.00 0.00 1.39 -1.00 -1.60 -3.45 116.94 112.22 3dxj h PHE 50 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 3dxj h PHE 50 Cb 0.04 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.60 3dxj h PHE 50 CO -0.02 0.48 0.00 0.41 -1.61 0.00 0.00 178.31 177.57 3dxj n GLY 51 N 0.22 3.31 3.27 -1.45 0.00 -0.31 -3.78 105.19 106.46 3dxj n GLY 51 Ca -0.01 -1.75 -0.28 0.00 0.00 0.00 0.00 46.02 43.98 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 -1.87 -3.21 0.00 1.61 -0.02 -1.26 -4.44 135.00 125.81 3dxj n PRO 52 Ca 0.00 -0.94 0.00 0.00 -2.02 0.00 0.00 63.50 60.54 3dxj n PRO 52 Cb 0.00 -1.88 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 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 -5.13 0.00 -4.11 4.25 5.41 -1.26 -4.56 119.36 113.95 3dxj n ILE 53 Ca 0.06 -0.29 -0.30 0.00 1.00 0.00 0.00 62.75 63.22 3dxj n ILE 53 Cb 0.55 0.82 -0.16 0.00 -0.71 0.00 0.00 39.64 40.14 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 -1.07 2.38 -0.16 0.38 1.02 -1.26 -4.81 119.74 116.21 3dxj s LYS 54 Ca 0.00 -0.59 -0.35 0.00 0.02 0.00 0.00 55.97 55.05 3dxj s LYS 54 Cb 0.00 -2.13 -0.12 0.00 -0.52 0.00 0.00 37.83 35.06 3dxj s LYS 54 CO 0.00 -0.20 1.95 -0.25 -0.92 0.00 0.00 175.35 175.92 3dxj n ASP 55 N 4.66 3.11 -2.72 2.83 8.00 -1.26 -2.84 116.55 128.33 3dxj n ASP 55 Ca -0.18 0.83 -0.07 0.00 0.71 0.00 0.00 54.79 56.08 3dxj n ASP 55 Cb 0.50 -1.34 0.03 0.00 -0.02 0.00 0.00 41.12 40.29 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 7.45 -1.90 -3.41 1.24 4.02 0.26 -4.87 117.16 119.95 3dxj n TYR 56 Ca 0.27 0.69 0.01 0.00 -0.01 0.00 0.00 57.90 58.86 3dxj n TYR 56 Cb 0.28 -3.59 -0.04 0.00 -0.02 0.00 0.00 39.34 35.97 3dxj n TYR 56 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 3dxj s GLU 57 N -3.69 0.28 1.08 -0.72 2.12 -1.13 -4.21 118.70 112.43 3dxj s GLU 57 Ca 0.23 0.68 -0.14 0.00 0.36 0.00 0.00 54.97 56.09 3dxj s GLU 57 Cb -0.03 0.38 0.23 0.00 0.26 0.00 0.00 34.13 34.97 3dxj s GLU 57 CO 0.54 -0.09 1.09 0.00 -0.54 0.00 0.00 175.26 176.26 3dxj n ALA 59 N -4.43 -0.38 0.29 0.00 0.00 -1.26 -1.78 120.51 112.95 3dxj n ALA 59 Ca 0.07 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.54 3dxj n ALA 59 Cb 0.58 0.00 0.14 0.00 0.00 0.00 0.00 19.45 20.17 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 -0.73 2.15 0.30 0.00 0.00 -0.73 -4.85 105.19 101.32 3dxj n GLY 61 Ca 0.03 0.00 0.26 0.00 0.00 0.00 0.00 46.02 46.32 3dxj n GLY 61 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dxj n LYS 62 N -2.00 -0.03 -4.43 1.61 4.76 -1.26 -3.59 118.16 113.22 3dxj n LYS 62 Ca 0.00 0.87 -0.33 0.00 -2.87 0.00 0.00 58.31 55.98 3dxj n LYS 62 Cb 0.00 -1.68 -0.15 0.00 -1.84 0.00 0.00 35.03 31.36 3dxj n LYS 62 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 3dxj s TYR 63 N -4.79 2.80 0.00 2.13 1.51 -1.26 -4.99 117.35 112.74 3dxj s TYR 63 Ca -0.05 -1.09 0.00 0.00 -1.01 0.00 0.00 57.07 54.92 3dxj s TYR 63 Cb 0.22 -1.91 0.00 0.00 -0.11 0.00 0.00 41.96 40.15 3dxj s TYR 63 CO 0.55 -0.51 0.00 1.63 -1.11 0.00 0.00 175.55 176.11 3dxj n LYS 64 N 4.18 2.58 -2.65 -0.62 5.02 -1.24 -0.02 118.16 125.41 3dxj n LYS 64 Ca -0.19 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 55.87 3dxj n LYS 64 Cb 0.51 -0.77 0.03 0.00 -0.02 0.00 0.00 35.03 34.78 3dxj n LYS 64 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 3dxj s ARG 65 N -1.22 2.74 0.00 1.97 6.06 -1.26 -4.44 118.95 122.79 3dxj s ARG 65 Ca 0.00 -0.47 0.29 0.00 -2.50 0.00 0.00 55.73 53.05 3dxj s ARG 65 Cb 0.00 -2.43 1.29 0.00 0.06 0.00 0.00 34.95 33.87 3dxj s ARG 65 CO 0.00 -0.64 1.94 0.94 -2.50 0.00 0.00 175.30 175.04 3dxj n GLN 66 N -2.38 0.10 -0.32 5.12 7.27 -1.26 -3.83 117.38 122.07 3dxj n GLN 66 Ca 0.05 0.01 -0.01 0.00 0.07 0.00 0.00 57.00 57.12 3dxj n GLN 66 Cb 0.59 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 31.74 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 -1.45 1.04 -3.05 3.69 5.12 -1.26 -3.34 116.66 117.40 3dxj n ARG 67 Ca 0.09 -0.07 -0.19 0.00 -1.93 0.00 0.00 57.85 55.74 3dxj n ARG 67 Cb 0.31 -1.03 -0.03 0.00 -1.16 0.00 0.00 32.46 30.55 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 1.05 -1.34 -0.03 -1.55 3.01 -1.25 -5.04 117.46 112.31 3dxj n PHE 68 Ca 0.01 -2.97 0.01 0.00 1.01 0.00 0.00 57.45 55.51 3dxj n PHE 68 Cb 0.51 0.28 0.02 0.00 -0.01 0.00 0.00 39.48 40.28 3dxj n PHE 68 CO 0.00 0.00 0.00 -0.85 1.01 0.00 0.00 176.76 176.92 3dxj n GLU 69 N 1.52 -0.01 0.00 -1.08 0.28 -1.21 -3.76 120.64 116.39 3dxj n GLU 69 Ca 0.17 0.11 0.00 0.00 -0.16 0.00 0.00 57.16 57.29 3dxj n GLU 69 Cb 0.56 -0.18 0.00 0.00 1.43 0.00 0.00 31.44 33.25 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 -1.04 -1.86 3.42 -1.84 0.00 -1.25 -4.73 105.19 97.89 3dxj n GLY 70 Ca 0.02 0.82 -0.33 0.00 0.00 0.00 0.00 46.02 46.53 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 0.00 3.32 0.18 1.61 -0.14 -1.25 -4.75 119.74 118.71 3dxj s LYS 71 Ca 0.00 -0.65 -0.30 0.00 -1.36 0.00 0.00 55.97 53.66 3dxj s LYS 71 Cb 0.00 -2.66 -0.09 0.00 -1.68 0.00 0.00 37.83 33.41 3dxj s LYS 71 CO 0.00 0.28 1.35 0.08 -0.76 0.00 0.00 175.35 176.30 3dxj s VAL 72 N 0.18 3.16 -0.16 3.17 1.01 -1.26 -3.79 120.40 122.71 3dxj s VAL 72 Ca -0.06 0.92 -0.29 0.00 0.00 0.00 0.00 61.98 62.55 3dxj s VAL 72 Cb -0.15 -3.59 -0.06 0.00 0.00 0.00 0.00 36.38 32.58 3dxj s VAL 72 CO 0.04 0.12 2.13 0.00 0.00 0.00 0.00 175.10 177.40 3dxj n GLU 74 N 8.44 0.00 0.02 0.00 4.71 -1.26 0.83 120.64 133.38 3dxj n GLU 74 Ca 0.27 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.42 3dxj n GLU 74 Cb 0.44 -1.44 0.00 0.00 -1.01 0.00 0.00 31.44 29.43 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 -0.93 0.00 0.00 3.49 0.63 -1.26 -4.79 116.66 113.80 3dxj n ARG 75 Ca 0.00 0.00 0.14 0.00 -0.92 0.00 0.00 57.85 57.07 3dxj n ARG 75 Cb 0.00 -0.18 0.64 0.00 0.45 0.00 0.00 32.46 33.36 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 1.34 1.01 3.75 0.00 0.00 0.24 -4.87 105.19 106.67 3dxj n GLY 77 Ca 0.09 -0.11 -0.24 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.78 4.15 0.67 1.61 1.01 -1.26 -4.68 120.40 119.12 3dxj s VAL 78 Ca 0.00 -1.39 -0.07 0.00 0.00 0.00 0.00 61.98 60.53 3dxj s VAL 78 Cb 0.00 -3.17 0.14 0.00 0.00 0.00 0.00 36.38 33.36 3dxj s VAL 78 CO 0.00 -0.23 0.91 1.21 0.00 0.00 0.00 175.10 176.99 3dxj n GLU 79 N -0.65 -0.49 -3.96 2.72 2.13 -1.26 0.68 120.64 119.81 3dxj n GLU 79 Ca -0.08 -1.85 -0.31 0.00 0.66 0.00 0.00 57.16 55.58 3dxj n GLU 79 Cb 0.56 -0.79 -0.15 0.00 0.27 0.00 0.00 31.44 31.33 3dxj n GLU 79 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3dxj s VAL 80 N -2.81 1.82 0.00 6.31 1.01 -1.25 -4.48 120.40 121.01 3dxj s VAL 80 Ca 0.55 -1.73 -0.01 0.00 0.00 0.00 0.00 61.98 60.78 3dxj s VAL 80 Cb -0.02 -2.19 0.01 0.00 0.00 0.00 0.00 36.38 34.17 3dxj s VAL 80 CO 0.38 -0.35 0.07 0.41 0.00 0.00 0.00 175.10 175.60 3dxj n THR 81 N 4.50 0.00 -2.03 3.92 -1.04 -1.26 -3.78 114.28 114.59 3dxj n THR 81 Ca -0.05 -0.02 -0.42 0.00 -2.04 0.00 0.00 64.05 61.52 3dxj n THR 81 Cb 0.43 0.04 -0.03 0.00 -1.82 0.00 0.00 70.33 68.94 3dxj n THR 81 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3dxj s LYS 82 N -2.00 4.26 0.09 -2.82 3.01 -1.26 0.93 119.74 121.94 3dxj s LYS 82 Ca 0.02 2.24 0.07 0.00 -1.01 0.00 0.00 55.97 57.28 3dxj s LYS 82 Cb -0.00 -3.23 0.35 0.00 -1.01 0.00 0.00 37.83 33.94 3dxj s LYS 82 CO 0.00 -0.55 1.21 -1.13 0.51 0.00 0.00 175.35 175.39 3dxj n SER 83 N 4.11 0.16 -0.10 2.83 3.41 -1.26 -2.50 113.62 120.26 3dxj n SER 83 Ca 0.13 0.57 -0.06 0.00 -0.26 0.00 0.00 58.87 59.25 3dxj n SER 83 Cb 0.40 -0.59 0.02 0.00 -0.26 0.00 0.00 64.21 63.78 3dxj n SER 83 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 3dxj h ILE 84 N 0.00 0.80 0.00 -1.33 2.10 -1.88 -0.70 117.51 116.50 3dxj h ILE 84 Ca 0.00 -0.06 0.00 0.00 1.08 0.00 0.00 64.86 65.88 3dxj h ILE 84 Cb 0.02 0.62 0.00 0.00 -1.09 0.00 0.00 36.82 36.37 3dxj h ILE 84 CO 0.00 0.03 0.64 1.62 -1.08 0.00 0.00 178.15 179.36 3dxj h VAL 85 N 0.17 0.00 0.00 2.19 3.04 -1.83 0.47 116.25 120.29 3dxj h VAL 85 Ca 0.17 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.86 3dxj h VAL 85 Cb 0.20 0.20 0.00 0.00 -2.01 0.00 0.00 31.29 29.68 3dxj h VAL 85 CO -0.24 0.00 0.00 -1.14 -1.01 0.00 0.00 177.57 175.18 3dxj n ARG 86 N -2.28 0.30 0.00 4.17 0.63 -0.27 0.08 116.66 119.29 3dxj n ARG 86 Ca -0.01 0.05 0.05 0.00 -0.92 0.00 0.00 57.85 57.02 3dxj n ARG 86 Cb 0.66 -1.50 -0.00 0.00 0.45 0.00 0.00 32.46 32.06 3dxj n ARG 86 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 3dxj n ARG 87 N -1.07 2.26 -0.00 -0.14 1.85 0.16 -1.84 116.66 117.87 3dxj n ARG 87 Ca 0.08 -0.54 0.01 0.00 -1.00 0.00 0.00 57.85 56.40 3dxj n ARG 87 Cb 0.05 -1.05 -0.02 0.00 -1.05 0.00 0.00 32.46 30.39 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 -0.33 0.00 -2.65 2.89 0.53 0.11 -4.60 117.16 113.11 3dxj n TYR 88 Ca 0.04 0.00 -0.38 0.00 -1.02 0.00 0.00 57.90 56.54 3dxj n TYR 88 Cb 0.19 -0.06 -0.05 0.00 -1.03 0.00 0.00 39.34 38.39 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 -2.17 4.55 -0.06 -0.72 0.52 0.11 -4.89 118.95 116.28 3dxj s ARG 89 Ca -0.01 1.50 0.03 0.00 -0.52 0.00 0.00 55.73 56.73 3dxj s ARG 89 Cb 0.02 -2.91 0.01 0.00 0.52 0.00 0.00 34.95 32.59 3dxj s ARG 89 CO 0.10 0.21 -0.13 -1.64 0.02 0.00 0.00 175.30 173.86 3dxj s MET 90 N -1.87 1.68 0.00 3.54 -1.94 -1.26 -3.56 119.30 115.89 3dxj s MET 90 Ca 0.49 -0.44 0.00 0.00 -1.71 0.00 0.00 55.69 54.03 3dxj s MET 90 Cb -0.24 -1.40 0.00 0.00 2.01 0.00 0.00 34.83 35.20 3dxj s MET 90 CO 0.30 0.06 0.00 0.41 -0.01 0.00 0.00 175.02 175.78 3dxj n GLY 91 N 3.69 2.77 0.00 -0.03 0.00 -1.04 0.10 105.19 110.68 3dxj n GLY 91 Ca -0.22 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 43.70 3dxj n GLY 91 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3dxj n HIS 92 N -0.47 -0.12 -3.64 1.61 1.44 -0.07 -0.21 115.22 113.76 3dxj n HIS 92 Ca 0.00 0.00 -0.06 0.00 -2.01 0.00 0.00 57.72 55.65 3dxj n HIS 92 Cb 0.00 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.04 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 -2.04 -0.78 0.03 0.61 1.01 0.57 -1.84 121.20 118.75 3dxj s ILE 93 Ca 0.00 0.10 -0.28 0.00 0.00 0.00 0.00 60.65 60.47 3dxj s ILE 93 Cb 0.00 -0.80 -0.04 0.00 0.01 0.00 0.00 42.46 41.63 3dxj s ILE 93 CO 0.00 0.04 0.89 -0.70 0.00 0.00 0.00 174.94 175.17 3dxj s GLU 94 N 2.72 4.57 -0.15 2.79 2.56 -1.26 0.39 118.70 130.30 3dxj s GLU 94 Ca -0.03 1.28 -0.18 0.00 0.00 0.00 0.00 54.97 56.05 3dxj s GLU 94 Cb -0.12 -3.42 -0.04 0.00 2.00 0.00 0.00 34.13 32.55 3dxj s GLU 94 CO -0.15 0.10 0.46 -0.51 -0.56 0.00 0.00 175.26 174.60 3dxj s LEU 95 N 0.52 4.22 0.32 2.70 1.43 0.66 -4.92 118.68 123.60 3dxj s LEU 95 Ca 0.46 0.71 0.04 0.00 -1.03 0.00 0.00 54.13 54.31 3dxj s LEU 95 Cb -0.21 -2.64 0.65 0.00 0.03 0.00 0.00 46.19 44.01 3dxj s LEU 95 CO 0.26 -0.05 1.88 0.00 0.23 0.00 0.00 176.35 178.67 3dxj h ALA 96 N 6.99 1.63 -3.96 4.21 0.00 -1.88 -3.40 119.26 122.85 3dxj h ALA 96 Ca -0.38 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 53.99 3dxj h ALA 96 Cb 1.17 -0.20 -0.25 0.00 0.00 0.00 0.00 17.79 18.51 3dxj h ALA 96 CO 0.75 0.16 -0.83 0.99 0.00 0.00 0.00 179.25 180.32 3dxj s THR 97 N -5.83 1.52 0.86 0.00 2.01 -1.26 -5.05 115.64 107.88 3dxj s THR 97 Ca -0.11 -1.16 -0.12 0.00 0.31 0.00 0.00 61.69 60.61 3dxj s THR 97 Cb 0.21 -1.34 0.10 0.00 0.01 0.00 0.00 72.50 71.49 3dxj s THR 97 CO 0.80 0.14 1.09 -2.65 -0.69 0.00 0.00 174.62 173.31 3dxj n PRO 98 N 1.83 -0.10 -4.48 4.92 -0.02 -1.25 -4.78 135.00 131.12 3dxj n PRO 98 Ca -0.17 0.04 -0.21 0.00 -2.02 0.00 0.00 63.50 61.14 3dxj n PRO 98 Cb 0.54 -2.35 -0.14 0.00 -0.02 0.00 0.00 33.50 31.53 3dxj n PRO 98 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dxj s ALA 99 N -2.33 1.14 -0.02 3.55 0.00 0.86 -4.54 121.76 120.41 3dxj s ALA 99 Ca 0.69 -0.70 -0.28 0.00 0.00 0.00 0.00 51.96 51.68 3dxj s ALA 99 Cb -0.26 -0.23 -0.03 0.00 0.00 0.00 0.00 23.12 22.59 3dxj s ALA 99 CO 0.55 0.25 0.89 0.00 0.00 0.00 0.00 175.76 177.45 3dxj s ALA 100 N -0.58 3.22 -0.53 0.00 0.00 -1.26 0.42 121.76 123.04 3dxj s ALA 100 Ca 0.03 0.40 -0.28 0.00 0.00 0.00 0.00 51.96 52.12 3dxj s ALA 100 Cb -0.06 -3.22 0.03 0.00 0.00 0.00 0.00 23.12 19.87 3dxj s ALA 100 CO 0.00 -0.20 1.13 -1.58 0.00 0.00 0.00 175.76 175.11 3dxj s HIS 101 N 0.97 2.72 0.35 0.00 2.46 -1.07 -4.75 115.29 115.97 3dxj s HIS 101 Ca 0.47 0.48 0.13 0.00 0.47 0.00 0.00 55.06 56.61 3dxj s HIS 101 Cb -0.20 -4.41 0.96 0.00 -0.13 0.00 0.00 32.58 28.80 3dxj s HIS 101 CO 0.25 -1.41 1.75 0.97 -2.47 0.00 0.00 174.74 173.82 3dxj h ILE 102 N 6.17 0.54 -0.10 0.89 2.10 -1.92 -0.91 117.51 124.28 3dxj h ILE 102 Ca -0.24 -0.18 0.03 0.00 1.08 0.00 0.00 64.86 65.54 3dxj h ILE 102 Cb 1.06 -0.03 -0.00 0.00 -1.09 0.00 0.00 36.82 36.76 3dxj h ILE 102 CO 1.14 0.10 0.63 -0.50 -1.08 0.00 0.00 178.15 178.44 3dxj h TRP 103 N 0.53 0.00 -0.73 2.19 4.06 -1.98 1.37 115.95 121.38 3dxj h TRP 103 Ca 0.62 0.00 -0.38 0.00 2.06 0.00 0.00 58.89 61.19 3dxj h TRP 103 Cb 1.31 0.00 -0.23 0.00 -1.00 0.00 0.00 29.16 29.24 3dxj h TRP 103 CO -0.00 0.00 0.35 1.19 -3.56 0.00 0.00 178.44 176.41 3dxj n PHE 104 N -2.84 2.26 0.02 0.49 3.01 -0.35 -3.93 117.46 116.12 3dxj n PHE 104 Ca 0.01 -1.77 0.00 0.00 1.01 0.00 0.00 57.45 56.70 3dxj n PHE 104 Cb 0.69 -0.77 0.00 0.00 -0.01 0.00 0.00 39.48 39.39 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 -1.14 0.02 -0.00 -4.37 0.31 0.47 -4.06 118.33 109.56 3dxj n VAL 105 Ca 0.49 0.01 -0.08 0.00 -0.01 0.00 0.00 64.34 64.75 3dxj n VAL 105 Cb 1.40 -0.61 -0.13 0.00 -0.91 0.00 0.00 33.84 33.58 3dxj n VAL 105 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 3dxj h LYS 106 N 0.00 0.00 -6.26 5.55 1.79 -1.70 -3.42 116.57 112.52 3dxj h LYS 106 Ca 0.00 0.00 -0.58 0.00 -2.18 0.00 0.00 60.65 57.89 3dxj h LYS 106 Cb 0.09 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.72 3dxj h LYS 106 CO 0.00 0.59 1.27 0.34 -1.08 0.00 0.00 179.45 180.57 3dxj s ASP 107 N -6.21 5.92 0.15 0.86 -1.08 -1.25 -4.90 116.67 110.15 3dxj s ASP 107 Ca -0.03 1.38 -0.02 0.00 -0.52 0.00 0.00 52.55 53.35 3dxj s ASP 107 Cb 0.08 -2.53 -0.05 0.00 -1.46 0.00 0.00 42.92 38.97 3dxj s ASP 107 CO 0.82 -1.67 0.35 0.68 0.52 0.00 0.00 175.17 175.87 3dxj s VAL 108 N 6.77 5.22 0.41 1.11 -7.23 -1.26 -3.49 120.40 121.93 3dxj s VAL 108 Ca 0.80 -0.21 -0.26 0.00 -1.81 0.00 0.00 61.98 60.51 3dxj s VAL 108 Cb -0.23 -3.67 -0.08 0.00 0.56 0.00 0.00 36.38 32.95 3dxj s VAL 108 CO 0.34 -0.03 1.29 -2.16 -0.31 0.00 0.00 175.10 174.23 3dxj s PRO 109 N -2.90 3.95 -0.44 4.82 0.04 -1.26 -5.04 135.00 134.17 3dxj s PRO 109 Ca 0.39 2.12 -0.27 0.00 0.04 0.00 0.00 61.00 63.27 3dxj s PRO 109 Cb -0.12 -2.72 -0.03 0.00 0.04 0.00 0.00 34.50 31.66 3dxj s PRO 109 CO 0.27 -0.50 2.00 0.45 0.04 0.00 0.00 177.00 179.26 3dxj s SER 110 N -0.80 5.34 0.00 6.66 0.15 -1.23 -4.91 113.70 118.92 3dxj s SER 110 Ca 0.57 1.03 0.00 0.00 0.70 0.00 0.00 55.95 58.25 3dxj s SER 110 Cb -0.37 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.42 3dxj s SER 110 CO 0.47 -2.19 0.27 0.29 1.20 0.00 0.00 173.24 173.28 3dxj n LYS 111 N 8.83 0.00 -0.38 5.44 4.76 -1.26 0.13 118.16 135.68 3dxj n LYS 111 Ca 0.26 0.27 -0.11 0.00 -2.87 0.00 0.00 58.31 55.86 3dxj n LYS 111 Cb 0.50 -0.60 -0.09 0.00 -1.84 0.00 0.00 35.03 33.00 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 0.00 -0.70 -0.18 3.07 -1.91 0.10 117.51 117.89 3dxj h ILE 112 Ca 0.00 0.00 0.05 0.00 1.55 0.00 0.00 64.86 66.46 3dxj h ILE 112 Cb 0.00 0.00 -0.05 0.00 -0.27 0.00 0.00 36.82 36.50 3dxj h ILE 112 CO 0.00 0.00 0.42 1.23 -1.05 0.00 0.00 178.15 178.75 3dxj h GLY 113 N -0.05 1.02 -3.00 0.16 0.00 -1.75 0.17 103.07 99.62 3dxj h GLY 113 Ca 0.16 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.19 3dxj h GLY 113 CO -0.90 0.22 0.00 2.41 0.00 0.00 0.00 176.54 178.28 3dxj n THR 114 N -4.72 1.24 -1.98 4.70 -1.04 0.36 -0.31 114.28 112.54 3dxj n THR 114 Ca 0.08 -0.27 0.00 0.00 -2.04 0.00 0.00 64.05 61.82 3dxj n THR 114 Cb 0.13 -1.24 0.00 0.00 -1.82 0.00 0.00 70.33 67.41 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 1.42 0.00 -0.09 -4.42 7.94 0.53 -4.76 117.00 117.61 3dxj n LEU 115 Ca 0.00 -0.13 0.01 0.00 -1.11 0.00 0.00 56.01 54.78 3dxj n LEU 115 Cb 0.35 0.00 0.01 0.00 0.53 0.00 0.00 43.42 44.31 3dxj n LEU 115 CO 0.00 0.31 0.33 0.18 -1.11 0.00 0.00 177.39 177.10 3dxj n LEU 116 N 0.00 0.61 -2.17 -1.96 4.77 0.58 -4.99 117.00 113.84 3dxj n LEU 116 Ca 0.00 -0.84 -0.14 0.00 -0.03 0.00 0.00 56.01 55.00 3dxj n LEU 116 Cb 0.31 -0.03 0.04 0.00 -2.33 0.00 0.00 43.42 41.41 3dxj n LEU 116 CO 0.00 0.21 0.09 -0.67 -1.33 0.00 0.00 177.39 175.68 3dxj n ASP 117 N -0.21 -4.50 -4.55 -1.43 -0.08 -1.14 -5.02 116.55 99.62 3dxj n ASP 117 Ca 0.01 -0.26 -0.24 0.00 -1.51 0.00 0.00 54.79 52.79 3dxj n ASP 117 Cb 0.49 -3.20 -0.09 0.00 2.34 0.00 0.00 41.12 40.66 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 -4.54 2.82 0.37 -2.67 1.43 -1.07 -5.09 118.68 109.93 3dxj s LEU 118 Ca 0.28 -0.93 -0.26 0.00 -1.03 0.00 0.00 54.13 52.19 3dxj s LEU 118 Cb -0.12 -1.30 -0.09 0.00 0.03 0.00 0.00 46.19 44.71 3dxj s LEU 118 CO 0.35 -0.03 1.10 -0.55 0.23 0.00 0.00 176.35 177.45 3dxj s SER 119 N -3.59 6.80 0.48 2.29 0.15 -1.26 -4.52 113.70 114.05 3dxj s SER 119 Ca 0.31 2.20 0.18 0.00 0.70 0.00 0.00 55.95 59.35 3dxj s SER 119 Cb -0.04 -2.61 1.21 0.00 -1.71 0.00 0.00 66.02 62.87 3dxj s SER 119 CO 0.17 -0.47 2.02 0.00 1.20 0.00 0.00 173.24 176.16 3dxj h ALA 120 N 2.87 2.19 -3.00 5.45 0.00 -1.93 -2.77 119.26 122.08 3dxj h ALA 120 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3dxj h ALA 120 Cb 1.22 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3dxj h ALA 120 CO 0.63 -0.31 0.00 -2.37 0.00 0.00 0.00 179.25 177.21 3dxj n THR 121 N -4.45 0.00 0.00 0.00 5.66 -1.26 -4.40 114.28 109.83 3dxj n THR 121 Ca 0.07 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.07 3dxj n THR 121 Cb 0.41 -0.05 0.00 0.00 -1.55 0.00 0.00 70.33 69.14 3dxj n THR 121 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 3dxj n GLU 122 N -0.10 0.00 0.00 1.09 4.07 -1.26 0.12 120.64 124.56 3dxj n GLU 122 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 3dxj n GLU 122 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 3dxj n GLU 122 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 3dxj n LEU 123 N -0.75 0.00 0.00 4.31 4.77 -1.26 -0.39 117.00 123.68 3dxj n LEU 123 Ca 0.00 0.79 0.00 0.00 -0.03 0.00 0.00 56.01 56.77 3dxj n LEU 123 Cb 0.00 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 3dxj n LEU 123 CO 0.00 -0.29 0.19 1.21 -1.33 0.00 0.00 177.39 177.16 3dxj n GLU 124 N -1.88 0.00 0.00 3.23 2.13 0.59 -2.54 120.64 122.17 3dxj n GLU 124 Ca 0.00 0.18 0.00 0.00 0.66 0.00 0.00 57.16 58.00 3dxj n GLU 124 Cb 0.00 -0.87 0.00 0.00 0.27 0.00 0.00 31.44 30.84 3dxj n GLU 124 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66 3dxj n GLN 125 N -0.56 0.00 -0.00 5.31 -0.06 0.33 -0.33 117.38 122.08 3dxj n GLN 125 Ca 0.00 0.31 -0.00 0.00 -2.00 0.00 0.00 57.00 55.31 3dxj n GLN 125 Cb 0.00 -0.49 -0.00 0.00 -4.06 0.00 0.00 30.24 25.69 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 -1.91 -0.00 0.00 1.69 0.31 0.47 -2.02 118.33 116.86 3dxj n VAL 126 Ca 0.00 0.43 0.00 0.00 -0.01 0.00 0.00 64.34 64.76 3dxj n VAL 126 Cb 0.00 -0.58 0.00 0.00 -0.91 0.00 0.00 33.84 32.35 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 -2.32 0.00 -0.13 7.52 0.00 0.55 -3.74 117.00 118.89 3dxj n LEU 127 Ca 0.00 0.56 -0.03 0.00 0.00 0.00 0.00 56.01 56.54 3dxj n LEU 127 Cb 0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 43.42 43.33 3dxj n LEU 127 CO -0.00 -0.06 0.17 -1.22 0.00 0.00 0.00 177.39 176.28 3dxj n TYR 128 N -0.81 -0.13 0.91 1.96 0.53 -0.90 -0.11 117.16 118.61 3dxj n TYR 128 Ca 0.00 0.37 0.00 0.00 -1.02 0.00 0.00 57.90 57.25 3dxj n TYR 128 Cb 0.00 -0.47 0.00 0.00 -1.03 0.00 0.00 39.34 37.84 3dxj n TYR 128 CO 0.00 0.00 0.00 1.19 -1.02 0.00 0.00 176.86 177.03 3dxj n PHE 129 N -4.11 0.00 0.00 -0.72 3.01 -0.86 -3.30 117.46 111.49 3dxj n PHE 129 Ca 0.01 -0.15 0.00 0.00 1.01 0.00 0.00 57.45 58.32 3dxj n PHE 129 Cb 0.08 -0.14 0.00 0.00 -0.01 0.00 0.00 39.48 39.41 3dxj n PHE 129 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3dxj n SER 130 N 0.21 0.00 -4.56 4.37 2.88 0.84 -4.94 113.62 112.42 3dxj n SER 130 Ca 0.00 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.21 3dxj n SER 130 Cb 0.30 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.72 3dxj n SER 130 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 3dxj s LYS 131 N -2.00 2.99 -0.39 -1.46 -2.85 -1.26 -4.39 119.74 110.37 3dxj s LYS 131 Ca 0.00 -0.68 0.08 0.00 -1.00 0.00 0.00 55.97 54.38 3dxj s LYS 131 Cb 0.00 -5.20 0.26 0.00 -2.06 0.00 0.00 37.83 30.84 3dxj s LYS 131 CO 0.00 -2.91 0.57 0.66 0.10 0.00 0.00 175.35 173.77 3dxj n TYR 132 N 11.87 -0.50 -1.48 1.78 4.02 -1.26 -4.43 117.16 127.15 3dxj n TYR 132 Ca 0.38 -3.47 -0.52 0.00 -0.01 0.00 0.00 57.90 54.27 3dxj n TYR 132 Cb 0.48 -0.23 -0.05 0.00 -0.02 0.00 0.00 39.34 39.52 3dxj n TYR 132 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 176.86 176.29 3dxj n ILE 133 N 1.29 1.01 -4.25 -0.72 -0.00 -1.23 -4.52 119.36 110.94 3dxj n ILE 133 Ca 0.21 -0.25 -0.34 0.00 -0.00 0.00 0.00 62.75 62.36 3dxj n ILE 133 Cb 0.55 -0.18 -0.12 0.00 -0.00 0.00 0.00 39.64 39.89 3dxj n ILE 133 CO 0.00 0.00 0.00 -0.69 -0.00 0.00 0.00 176.55 175.86 3dxj s VAL 134 N -0.46 3.86 -0.19 7.28 1.01 -0.15 -0.63 120.40 131.12 3dxj s VAL 134 Ca 0.76 -0.36 -0.28 0.00 0.00 0.00 0.00 61.98 62.10 3dxj s VAL 134 Cb -1.04 -2.71 -0.06 0.00 0.00 0.00 0.00 36.38 32.57 3dxj s VAL 134 CO 0.56 0.46 2.20 0.18 0.00 0.00 0.00 175.10 178.50 3dxj n LEU 135 N 3.90 3.35 -0.08 3.92 4.77 -0.74 -3.02 117.00 129.12 3dxj n LEU 135 Ca -0.17 0.27 -0.10 0.00 -0.03 0.00 0.00 56.01 55.98 3dxj n LEU 135 Cb 0.52 -1.55 -0.06 0.00 -2.33 0.00 0.00 43.42 40.00 3dxj n LEU 135 CO 0.32 -0.60 -0.23 0.44 -1.33 0.00 0.00 177.39 176.00 3dxj h ASP 136 N 14.62 0.00 0.00 -1.43 3.32 -1.01 -3.02 116.42 128.90 3dxj h ASP 136 Ca -0.42 -0.29 0.00 0.00 0.02 0.00 0.00 57.03 56.34 3dxj h ASP 136 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 3dxj h ASP 136 CO 0.96 0.96 0.00 -0.81 -1.72 0.00 0.00 179.24 178.62 3dxj n PRO 137 N -4.59 0.00 -3.66 3.56 -0.04 -1.25 -4.62 135.00 124.39 3dxj n PRO 137 Ca -0.13 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 62.95 3dxj n PRO 137 Cb 0.37 -0.01 -0.06 0.00 -0.04 0.00 0.00 33.50 33.76 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 -0.11 3.73 -0.05 0.54 1.02 -1.26 -4.76 119.74 118.85 3dxj s LYS 138 Ca 0.00 0.17 0.03 0.00 0.02 0.00 0.00 55.97 56.19 3dxj s LYS 138 Cb 0.00 -3.22 0.08 0.00 -0.52 0.00 0.00 37.83 34.17 3dxj s LYS 138 CO 0.00 0.71 1.08 0.41 -0.92 0.00 0.00 175.35 176.63 3dxj n GLY 139 N 1.94 0.73 0.33 -3.33 0.00 -1.26 -3.49 105.19 100.12 3dxj n GLY 139 Ca -0.16 -0.07 -0.09 0.00 0.00 0.00 0.00 46.02 45.70 3dxj n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dxj h ALA 140 N 0.19 -0.51 -1.23 4.61 0.00 -1.92 -1.91 119.26 118.48 3dxj h ALA 140 Ca -0.54 0.05 -0.65 0.00 0.00 0.00 0.00 54.91 53.77 3dxj h ALA 140 Cb 1.42 1.19 0.11 0.00 0.00 0.00 0.00 17.79 20.51 3dxj h ALA 140 CO -0.26 -0.79 -0.45 1.51 0.00 0.00 0.00 179.25 179.27 3dxj n ILE 141 N -4.71 1.90 -3.46 0.00 3.06 -1.26 -4.10 119.36 110.80 3dxj n ILE 141 Ca -0.00 -0.50 0.00 0.00 -2.50 0.00 0.00 62.75 59.75 3dxj n ILE 141 Cb 0.22 -0.18 0.00 0.00 0.54 0.00 0.00 39.64 40.22 3dxj n ILE 141 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3dxj n LEU 142 N 1.87 0.00 0.00 9.51 -0.00 -1.26 -4.40 117.00 122.73 3dxj n LEU 142 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.17 3dxj n LEU 142 Cb 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.70 3dxj n LEU 142 CO 0.57 0.00 0.00 -0.46 -0.00 0.00 0.00 177.39 177.50 3dxj n ASN 143 N -1.19 0.00 0.00 1.45 6.94 -1.26 -4.92 115.26 116.28 3dxj n ASN 143 Ca 0.00 -0.62 0.00 0.00 -0.02 0.00 0.00 54.58 53.94 3dxj n ASN 143 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 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 0.00 2.45 3.40 4.83 0.00 -1.26 -5.08 105.19 109.53 3dxj n GLY 144 Ca 0.00 -0.26 -0.34 0.00 0.00 0.00 0.00 46.02 45.42 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 3.51 0.00 1.61 1.01 -1.26 -5.08 120.40 120.20 3dxj s VAL 145 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.51 3dxj s VAL 145 Cb 0.00 -2.55 0.00 0.00 0.00 0.00 0.00 36.38 33.83 3dxj s VAL 145 CO 0.00 0.47 0.06 -0.81 0.00 0.00 0.00 175.10 174.82 3dxj n PRO 146 N 4.04 0.00 -2.06 2.72 -0.04 -1.26 -4.47 135.00 133.93 3dxj n PRO 146 Ca -0.18 0.03 -0.01 0.00 -0.04 0.00 0.00 63.50 63.30 3dxj n PRO 146 Cb 0.52 -0.56 -0.00 0.00 -0.04 0.00 0.00 33.50 33.42 3dxj n PRO 146 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 3dxj n VAL 147 N -0.09 0.00 -3.30 0.52 3.14 -0.72 -4.03 118.33 113.85 3dxj n VAL 147 Ca 0.00 -0.05 -0.21 0.00 -2.96 0.00 0.00 64.34 61.12 3dxj n VAL 147 Cb 0.00 0.01 -0.08 0.00 -1.06 0.00 0.00 33.84 32.71 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 -2.04 0.79 0.00 1.45 2.02 -1.26 -5.03 118.70 114.63 3dxj s GLU 148 Ca 0.00 -1.46 0.00 0.00 0.02 0.00 0.00 54.97 53.53 3dxj s GLU 148 Cb 0.00 -0.98 0.00 0.00 0.10 0.00 0.00 34.13 33.25 3dxj s GLU 148 CO 0.00 -1.29 0.00 0.36 0.02 0.00 0.00 175.26 174.35 3dxj n LYS 149 N 3.47 0.00 0.00 1.61 0.00 -1.26 -1.09 118.16 120.88 3dxj n LYS 149 Ca 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.51 3dxj n LYS 149 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.50 3dxj n LYS 149 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 3dxj n ARG 150 N -1.25 0.29 -0.96 -1.58 1.85 -1.14 -4.22 116.66 109.65 3dxj n ARG 150 Ca 0.00 0.00 -0.35 0.00 -1.00 0.00 0.00 57.85 56.50 3dxj n ARG 150 Cb 0.00 -0.02 0.07 0.00 -1.05 0.00 0.00 32.46 31.46 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 -0.09 -1.33 2.89 6.02 -0.25 -3.69 117.38 120.93 3dxj n GLN 151 Ca 0.00 -0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.67 3dxj n GLN 151 Cb 0.00 -1.43 0.09 0.00 1.02 0.00 0.00 30.24 29.91 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 3.29 3.10 0.03 1.08 2.96 -1.26 -1.79 118.68 126.09 3dxj s LEU 152 Ca 0.50 1.88 -0.05 0.00 -0.22 0.00 0.00 54.13 56.25 3dxj s LEU 152 Cb -0.23 -4.53 -0.01 0.00 0.50 0.00 0.00 46.19 41.92 3dxj s LEU 152 CO 0.73 -2.01 0.08 -0.22 -1.32 0.00 0.00 176.35 173.61 3dxj s LEU 153 N -5.74 1.84 0.17 -0.68 2.96 0.20 -4.81 118.68 112.62 3dxj s LEU 153 Ca 0.63 -0.51 0.05 0.00 -0.22 0.00 0.00 54.13 54.07 3dxj s LEU 153 Cb -0.18 0.55 -0.04 0.00 0.50 0.00 0.00 46.19 47.02 3dxj s LEU 153 CO 0.53 -0.48 0.16 0.28 -1.32 0.00 0.00 176.35 175.52 3dxj s THR 154 N -2.43 4.61 0.02 3.68 -1.32 -1.26 -3.48 115.64 115.46 3dxj s THR 154 Ca -0.07 -1.04 -0.05 0.00 -1.21 0.00 0.00 61.69 59.32 3dxj s THR 154 Cb -0.02 -3.36 -0.01 0.00 -1.51 0.00 0.00 72.50 67.59 3dxj s THR 154 CO -0.04 -0.12 1.08 -0.78 -2.21 0.00 0.00 174.62 172.56 3dxj h ASP 155 N 2.32 -0.32 -1.01 8.08 1.82 -1.94 0.74 116.42 126.11 3dxj h ASP 155 Ca -0.48 0.05 0.23 0.00 -0.39 0.00 0.00 57.03 56.44 3dxj h ASP 155 Cb 1.20 0.14 -0.11 0.00 0.68 0.00 0.00 39.33 41.24 3dxj h ASP 155 CO 0.64 -0.04 0.61 1.05 -1.61 0.00 0.00 179.24 179.89 3dxj h GLU 156 N -0.02 0.57 -0.08 0.28 9.09 -1.96 0.71 114.58 123.18 3dxj h GLU 156 Ca 0.02 -0.03 0.02 0.00 0.05 0.00 0.00 59.36 59.41 3dxj h GLU 156 Cb 0.07 -0.13 -0.02 0.00 -1.65 0.00 0.00 28.75 27.03 3dxj h GLU 156 CO -0.13 0.38 -0.03 0.93 0.05 0.00 0.00 179.01 180.21 3dxj h GLU 157 N 0.59 -0.02 0.55 1.06 5.08 -0.97 0.26 114.58 121.14 3dxj h GLU 157 Ca 0.62 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.96 3dxj h GLU 157 Cb 1.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 3dxj h GLU 157 CO -0.41 -0.01 -0.43 -0.92 -1.00 0.00 0.00 179.01 176.24 3dxj h TYR 158 N -0.02 -1.16 -0.34 4.33 3.20 0.63 -3.05 116.97 120.57 3dxj h TYR 158 Ca 0.04 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.87 3dxj h TYR 158 Cb 0.08 0.43 -0.02 0.00 1.54 0.00 0.00 36.73 38.77 3dxj h TYR 158 CO -0.14 -0.61 0.02 0.00 -1.64 0.00 0.00 178.16 175.79 3dxj h ARG 159 N -0.96 0.51 0.00 1.82 3.08 -0.64 -1.19 114.38 117.01 3dxj h ARG 159 Ca -0.06 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 59.89 3dxj h ARG 159 Cb 0.81 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.78 3dxj h ARG 159 CO 0.00 0.52 -0.01 1.49 -1.07 0.00 0.00 179.97 180.91 3dxj h GLU 160 N 0.50 0.00 0.00 0.04 4.81 -0.37 -0.96 114.58 118.60 3dxj h GLU 160 Ca 0.11 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 3dxj h GLU 160 Cb 0.29 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.66 3dxj h GLU 160 CO 0.01 0.01 -0.08 -0.07 -0.73 0.00 0.00 179.01 178.15 3dxj h LEU 161 N 0.00 0.00 0.00 1.64 3.38 -1.14 -2.29 115.31 116.90 3dxj h LEU 161 Ca -0.00 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.40 3dxj h LEU 161 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3dxj h LEU 161 CO 0.00 0.83 0.00 0.54 0.09 0.00 0.00 178.44 179.90 3dxj n ARG 162 N -4.66 0.00 0.00 1.13 5.12 -0.62 -2.13 116.66 115.50 3dxj n ARG 162 Ca -0.07 0.20 0.00 0.00 -1.93 0.00 0.00 57.85 56.05 3dxj n ARG 162 Cb 0.30 -0.89 0.00 0.00 -1.16 0.00 0.00 32.46 30.72 3dxj n ARG 162 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 3dxj n TYR 163 N -0.59 0.00 0.00 -1.55 4.02 -0.46 -4.54 117.16 114.04 3dxj n TYR 163 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 3dxj n TYR 163 Cb 0.00 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.31 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 0.09 0.50 3.26 2.72 0.00 -0.86 -4.20 105.19 106.70 3dxj n GLY 164 Ca 0.00 0.61 -0.07 0.00 0.00 0.00 0.00 46.02 46.56 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 0.36 0.36 1.61 1.02 -1.26 -4.23 119.74 117.60 3dxj s LYS 165 Ca 0.00 1.03 0.05 0.00 0.02 0.00 0.00 55.97 57.07 3dxj s LYS 165 Cb 0.00 0.31 -0.07 0.00 -0.52 0.00 0.00 37.83 37.55 3dxj s LYS 165 CO 0.00 -0.30 0.04 -0.65 -0.92 0.00 0.00 175.35 173.52 3dxj s GLN 166 N 2.64 1.79 -0.29 1.68 -0.21 -1.24 -0.67 119.66 123.36 3dxj s GLN 166 Ca 0.00 -2.00 -0.24 0.00 0.02 0.00 0.00 55.36 53.13 3dxj s GLN 166 Cb -0.12 -1.20 0.17 0.00 1.00 0.00 0.00 33.01 32.85 3dxj s GLN 166 CO -0.14 -0.13 1.28 -1.21 -2.12 0.00 0.00 175.29 172.97 3dxj s GLU 167 N -3.81 0.22 0.20 2.91 0.41 0.22 -4.88 118.70 113.98 3dxj s GLU 167 Ca 0.36 0.27 0.09 0.00 -0.41 0.00 0.00 54.97 55.28 3dxj s GLU 167 Cb 0.09 0.10 -0.04 0.00 -1.78 0.00 0.00 34.13 32.51 3dxj s GLU 167 CO 0.17 -0.03 -0.05 -0.08 -0.49 0.00 0.00 175.26 174.78 3dxj s THR 168 N 0.19 3.38 -0.22 3.63 -1.32 -1.26 -0.42 115.64 119.62 3dxj s THR 168 Ca 0.05 -1.68 -0.04 0.00 -1.21 0.00 0.00 61.69 58.81 3dxj s THR 168 Cb -0.05 -2.72 0.12 0.00 -1.51 0.00 0.00 72.50 68.34 3dxj s THR 168 CO -0.12 -0.18 0.38 -0.31 -2.21 0.00 0.00 174.62 172.18 3dxj s TYR 169 N -1.89 -0.79 0.30 9.09 1.51 -0.80 -4.93 117.35 119.84 3dxj s TYR 169 Ca 0.27 1.06 -0.29 0.00 -1.01 0.00 0.00 57.07 57.10 3dxj s TYR 169 Cb -0.08 0.11 -0.10 0.00 -0.11 0.00 0.00 41.96 41.77 3dxj s TYR 169 CO 0.17 -0.62 1.28 -2.14 -1.11 0.00 0.00 175.55 173.13 3dxj s PRO 170 N 2.56 4.41 -0.19 -1.71 0.02 -1.26 -2.40 135.00 136.43 3dxj s PRO 170 Ca 0.08 2.13 0.01 0.00 0.02 0.00 0.00 61.00 63.23 3dxj s PRO 170 Cb -0.14 -3.11 0.04 0.00 0.02 0.00 0.00 34.50 31.30 3dxj s PRO 170 CO -0.14 -0.14 -0.11 -0.51 -0.33 0.00 0.00 177.00 175.76 3dxj s LEU 171 N -1.41 2.19 -0.40 -5.54 1.43 0.73 -4.91 118.68 110.77 3dxj s LEU 171 Ca 0.50 -0.81 -0.43 0.00 -1.03 0.00 0.00 54.13 52.35 3dxj s LEU 171 Cb -0.38 -1.24 -0.18 0.00 0.03 0.00 0.00 46.19 44.42 3dxj s LEU 171 CO 0.48 -0.12 1.74 -2.65 0.23 0.00 0.00 176.35 176.03 3dxj n PRO 172 N 4.69 0.53 -0.49 1.29 -0.02 -1.26 -4.54 135.00 135.20 3dxj n PRO 172 Ca -0.15 0.19 -0.19 0.00 -2.02 0.00 0.00 63.50 61.33 3dxj n PRO 172 Cb 0.47 -1.80 -0.05 0.00 -0.02 0.00 0.00 33.50 32.10 3dxj n PRO 172 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3dxj n PRO 173 N 5.14 0.00 0.00 0.52 -0.02 -1.26 0.13 135.00 139.51 3dxj n PRO 173 Ca 0.32 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 3dxj n PRO 173 Cb 0.03 -0.54 0.00 0.00 -0.02 0.00 0.00 33.50 32.97 3dxj n PRO 173 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dxj n GLY 174 N 2.55 1.12 3.09 -1.23 0.00 -1.26 -5.08 105.19 104.37 3dxj n GLY 174 Ca 0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.00 2.01 0.07 1.61 1.01 0.12 -5.00 120.40 118.21 3dxj s VAL 175 Ca 0.00 -1.06 -0.19 0.00 0.00 0.00 0.00 61.98 60.73 3dxj s VAL 175 Cb 0.00 -1.90 0.04 0.00 0.00 0.00 0.00 36.38 34.52 3dxj s VAL 175 CO 0.00 0.39 0.43 1.51 0.00 0.00 0.00 175.10 177.44 3dxj s ASP 176 N 1.28 -0.31 0.00 3.32 -4.77 -1.26 -4.51 116.67 110.41 3dxj s ASP 176 Ca 0.02 -0.04 0.00 0.00 -3.30 0.00 0.00 52.55 49.23 3dxj s ASP 176 Cb -0.15 0.45 0.00 0.00 -1.09 0.00 0.00 42.92 42.14 3dxj s ASP 176 CO -0.11 -0.72 0.00 0.00 0.70 0.00 0.00 175.17 175.04 3dxj n ALA 177 N 0.30 0.45 -1.62 2.11 0.00 -1.26 -5.00 120.51 115.49 3dxj n ALA 177 Ca -0.18 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.32 3dxj n ALA 177 Cb 0.61 0.00 0.17 0.00 0.00 0.00 0.00 19.45 20.23 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 -0.91 2.37 -0.06 0.00 7.94 -1.26 -4.86 117.00 120.22 3dxj n LEU 178 Ca 0.00 -3.46 -0.11 0.00 -1.11 0.00 0.00 56.01 51.33 3dxj n LEU 178 Cb 0.00 -0.44 -0.05 0.00 0.53 0.00 0.00 43.42 43.46 3dxj n LEU 178 CO 0.00 1.15 0.78 1.62 -1.11 0.00 0.00 177.39 179.82 3dxj h VAL 179 N 1.67 1.24 0.00 1.96 3.04 -1.95 -2.37 116.25 119.83 3dxj h VAL 179 Ca -0.03 -0.79 0.00 0.00 -1.01 0.00 0.00 66.70 64.87 3dxj h VAL 179 Cb 1.11 1.37 0.00 0.00 -2.01 0.00 0.00 31.29 31.76 3dxj h VAL 179 CO 0.01 0.24 0.00 2.29 -1.01 0.00 0.00 177.57 179.10 3dxj n LYS 180 N -4.72 0.48 -0.29 4.17 2.85 -1.26 -1.57 118.16 117.82 3dxj n LYS 180 Ca -0.04 0.00 0.07 0.00 -1.05 0.00 0.00 58.31 57.29 3dxj n LYS 180 Cb 0.20 -1.24 0.11 0.00 -0.65 0.00 0.00 35.03 33.46 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 0.24 1.70 -1.85 -5.58 8.00 -0.89 -4.81 116.55 113.37 3dxj n ASP 181 Ca 0.00 -2.90 -0.01 0.00 0.71 0.00 0.00 54.79 52.59 3dxj n ASP 181 Cb 0.12 -0.39 -0.01 0.00 -0.02 0.00 0.00 41.12 40.82 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 -1.01 1.37 0.11 0.44 0.00 -0.61 -2.98 105.19 102.51 3dxj n GLY 182 Ca 0.12 -0.05 -0.14 0.00 0.00 0.00 0.00 46.02 45.95 3dxj n GLY 182 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3dxj n GLU 183 N 1.90 0.58 -3.70 1.61 2.13 -1.26 -4.68 120.64 117.22 3dxj n GLU 183 Ca 0.02 0.12 -0.04 0.00 0.66 0.00 0.00 57.16 57.91 3dxj n GLU 183 Cb 0.22 -1.43 -0.01 0.00 0.27 0.00 0.00 31.44 30.49 3dxj n GLU 183 CO 0.00 0.00 0.00 -1.83 -0.41 0.00 0.00 177.13 174.89 3dxj s GLU 184 N -2.43 1.10 -0.17 5.31 -1.05 -1.16 -4.82 118.70 115.49 3dxj s GLU 184 Ca -0.28 -0.58 -0.19 0.00 -0.15 0.00 0.00 54.97 53.78 3dxj s GLU 184 Cb 0.07 0.39 0.05 0.00 -0.44 0.00 0.00 34.13 34.21 3dxj s GLU 184 CO 0.51 -0.50 0.51 0.08 0.95 0.00 0.00 175.26 176.81 3dxj s VAL 185 N -3.23 0.00 0.30 1.83 1.01 -1.14 -4.19 120.40 114.99 3dxj s VAL 185 Ca 0.11 -0.04 0.11 0.00 0.00 0.00 0.00 61.98 62.16 3dxj s VAL 185 Cb -0.01 -0.73 -0.05 0.00 0.00 0.00 0.00 36.38 35.59 3dxj s VAL 185 CO -0.00 -0.02 -0.14 -0.69 0.00 0.00 0.00 175.10 174.24 3dxj s VAL 186 N 0.04 2.47 0.42 2.92 1.01 -1.26 -3.14 120.40 122.86 3dxj s VAL 186 Ca -0.02 -2.29 -0.23 0.00 0.00 0.00 0.00 61.98 59.44 3dxj s VAL 186 Cb -0.03 -2.47 -0.12 0.00 0.00 0.00 0.00 36.38 33.76 3dxj s VAL 186 CO 0.02 -0.32 0.73 1.17 0.00 0.00 0.00 175.10 176.69 3dxj n LYS 187 N -0.71 0.84 -0.89 2.72 4.81 -1.26 -0.92 118.16 122.76 3dxj n LYS 187 Ca -0.05 0.31 -0.04 0.00 -0.87 0.00 0.00 58.31 57.66 3dxj n LYS 187 Cb 0.61 -1.71 -0.02 0.00 0.02 0.00 0.00 35.03 33.93 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 1.56 0.36 3.67 3.14 0.00 0.85 -4.73 105.19 110.04 3dxj n GLY 188 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 3dxj n GLY 188 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3dxj n GLN 189 N -0.87 1.95 -1.68 1.61 7.27 -0.09 -4.11 117.38 121.46 3dxj n GLN 189 Ca -0.04 0.69 -0.43 0.00 0.07 0.00 0.00 57.00 57.29 3dxj n GLN 189 Cb 0.16 -2.22 -0.03 0.00 2.41 0.00 0.00 30.24 30.56 3dxj n GLN 189 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 3dxj n GLU 190 N 0.59 2.77 0.00 3.69 1.02 -1.26 -3.59 120.64 123.86 3dxj n GLU 190 Ca 0.06 1.01 0.00 0.00 -0.02 0.00 0.00 57.16 58.21 3dxj n GLU 190 Cb 0.35 -2.93 0.00 0.00 -0.02 0.00 0.00 31.44 28.84 3dxj n GLU 190 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 3dxj n LEU 191 N 6.50 0.00 -4.48 -4.62 7.94 -0.77 -4.85 117.00 116.71 3dxj n LEU 191 Ca 0.19 0.00 -0.24 0.00 -1.11 0.00 0.00 56.01 54.85 3dxj n LEU 191 Cb 0.38 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 44.23 3dxj n LEU 191 CO 0.67 0.00 -0.43 0.00 -1.11 0.00 0.00 177.39 176.52 3dxj s ALA 192 N -3.69 2.74 0.52 1.96 0.00 -1.10 -4.19 121.76 117.99 3dxj s ALA 192 Ca 0.00 -1.94 0.43 0.00 0.00 0.00 0.00 51.96 50.45 3dxj s ALA 192 Cb 0.00 -0.14 1.49 0.00 0.00 0.00 0.00 23.12 24.47 3dxj s ALA 192 CO 0.00 0.17 1.40 -2.30 0.00 0.00 0.00 175.76 175.02 3dxj n PRO 193 N -0.66 0.00 -1.62 0.00 -0.02 -1.26 0.10 135.00 131.54 3dxj n PRO 193 Ca -0.05 0.98 0.01 0.00 -2.02 0.00 0.00 63.50 62.42 3dxj n PRO 193 Cb 0.62 -2.30 0.07 0.00 -0.02 0.00 0.00 33.50 31.86 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 -1.82 2.56 2.81 -1.23 0.00 -1.26 -5.04 105.19 101.21 3dxj n GLY 194 Ca 0.38 -1.16 -0.26 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.90 0.69 0.50 1.61 1.01 0.12 -5.11 120.40 117.31 3dxj s VAL 195 Ca 0.35 -0.29 0.07 0.00 0.00 0.00 0.00 61.98 62.12 3dxj s VAL 195 Cb 0.37 -0.92 0.07 0.00 0.00 0.00 0.00 36.38 35.91 3dxj s VAL 195 CO -0.10 0.13 0.62 1.33 0.00 0.00 0.00 175.10 177.08 3dxj n VAL 196 N 5.03 0.00 -2.72 2.92 0.24 -1.26 -1.84 118.33 120.69 3dxj n VAL 196 Ca -0.09 -1.72 -0.08 0.00 -2.04 0.00 0.00 64.34 60.40 3dxj n VAL 196 Cb 0.49 -0.47 0.09 0.00 -1.47 0.00 0.00 33.84 32.48 3dxj n VAL 196 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 3dxj n SER 197 N -2.30 -2.24 0.27 -1.34 2.88 -1.24 -4.85 113.62 104.81 3dxj n SER 197 Ca 0.11 -3.53 0.18 0.00 -1.33 0.00 0.00 58.87 54.30 3dxj n SER 197 Cb 0.52 1.86 0.92 0.00 -0.75 0.00 0.00 64.21 66.76 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 2.92 0.00 -6.33 -1.46 2.43 -1.86 2.52 114.38 112.61 3dxj h ARG 198 Ca -0.12 0.00 -0.54 0.00 -0.81 0.00 0.00 59.98 58.51 3dxj h ARG 198 Cb 1.11 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.61 3dxj h ARG 198 CO 0.12 0.00 1.15 -0.51 -1.51 0.00 0.00 179.97 179.21 3dxj s LEU 199 N -6.63 3.37 0.46 3.80 1.43 -1.26 -4.15 118.68 115.70 3dxj s LEU 199 Ca -0.04 0.30 -0.03 0.00 -1.03 0.00 0.00 54.13 53.33 3dxj s LEU 199 Cb 0.13 -2.97 -0.02 0.00 0.03 0.00 0.00 46.19 43.36 3dxj s LEU 199 CO 0.42 -1.82 0.72 -0.62 0.23 0.00 0.00 176.35 175.28 3dxj s ASP 200 N 5.04 6.11 0.00 2.29 -1.08 -1.25 -4.73 116.67 123.05 3dxj s ASP 200 Ca 0.55 0.67 0.00 0.00 -0.52 0.00 0.00 52.55 53.25 3dxj s ASP 200 Cb -0.12 -2.00 0.00 0.00 -1.46 0.00 0.00 42.92 39.35 3dxj s ASP 200 CO 0.24 -0.59 0.00 0.61 0.52 0.00 0.00 175.17 175.95 3dxj n GLY 201 N -2.15 -0.23 2.88 2.66 0.00 -1.19 -4.43 105.19 102.74 3dxj n GLY 201 Ca -0.00 0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 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 0.37 1.61 1.01 -0.59 -2.90 120.40 119.88 3dxj s VAL 202 Ca 0.00 0.07 -0.26 0.00 0.00 0.00 0.00 61.98 61.78 3dxj s VAL 202 Cb 0.00 -0.09 -0.09 0.00 0.00 0.00 0.00 36.38 36.20 3dxj s VAL 202 CO 0.00 0.03 1.17 0.00 0.00 0.00 0.00 175.10 176.29 3dxj s ALA 203 N 0.37 3.24 -0.13 5.51 0.00 -1.26 -2.48 121.76 127.01 3dxj s ALA 203 Ca -0.03 0.98 -0.04 0.00 0.00 0.00 0.00 51.96 52.86 3dxj s ALA 203 Cb -0.04 -3.38 0.07 0.00 0.00 0.00 0.00 23.12 19.77 3dxj s ALA 203 CO -0.01 -0.45 0.23 -1.17 0.00 0.00 0.00 175.76 174.36 3dxj s LEU 204 N -2.21 -0.21 0.54 0.00 2.96 -0.11 -4.56 118.68 115.09 3dxj s LEU 204 Ca 0.54 0.37 -0.20 0.00 -0.22 0.00 0.00 54.13 54.61 3dxj s LEU 204 Cb -0.32 0.54 -0.05 0.00 0.50 0.00 0.00 46.19 46.86 3dxj s LEU 204 CO 0.40 -0.26 1.22 -0.72 -1.32 0.00 0.00 176.35 175.67 3dxj s TYR 205 N 2.37 2.52 0.23 5.38 -0.85 -1.26 -1.71 117.35 124.03 3dxj s TYR 205 Ca 0.03 1.50 0.00 0.00 -0.52 0.00 0.00 57.07 58.08 3dxj s TYR 205 Cb -0.13 -3.50 0.00 0.00 0.38 0.00 0.00 41.96 38.71 3dxj s TYR 205 CO -0.09 -2.10 0.00 2.89 -1.52 0.00 0.00 175.55 174.73 3dxj n ARG 206 N -1.17 0.00 -3.56 -3.49 1.85 -1.26 -4.83 116.66 104.21 3dxj n ARG 206 Ca 0.11 0.00 -0.33 0.00 -1.00 0.00 0.00 57.85 56.63 3dxj n ARG 206 Cb 0.48 0.00 -0.07 0.00 -1.05 0.00 0.00 32.46 31.82 3dxj n ARG 206 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 3dxj n PHE 207 N -3.07 3.65 -1.84 2.89 0.99 -1.25 -4.95 117.46 113.88 3dxj n PHE 207 Ca 0.00 -3.99 -0.32 0.00 -0.00 0.00 0.00 57.45 53.13 3dxj n PHE 207 Cb 0.00 -0.90 0.03 0.00 -1.00 0.00 0.00 39.48 37.61 3dxj n PHE 207 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.76 175.51 3dxj s PRO 208 N -1.86 3.04 0.00 -1.08 0.04 -1.26 0.10 135.00 133.98 3dxj s PRO 208 Ca 0.31 1.23 0.00 0.00 0.04 0.00 0.00 61.00 62.57 3dxj s PRO 208 Cb 0.01 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.55 3dxj s PRO 208 CO -0.08 -1.04 0.00 0.54 0.04 0.00 0.00 177.00 176.46 3dxj n ARG 209 N -2.40 0.00 -3.82 4.56 1.74 0.25 -4.56 116.66 112.43 3dxj n ARG 209 Ca 0.09 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 57.05 3dxj n ARG 209 Cb 0.53 -0.31 -0.12 0.00 -1.02 0.00 0.00 32.46 31.54 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 0.00 0.29 -0.27 5.56 0.52 -1.26 -0.18 118.95 123.62 3dxj s ARG 210 Ca 0.00 0.09 -0.08 0.00 -0.52 0.00 0.00 55.73 55.22 3dxj s ARG 210 Cb 0.00 0.13 0.12 0.00 0.52 0.00 0.00 34.95 35.73 3dxj s ARG 210 CO 0.00 -0.05 0.56 0.08 0.02 0.00 0.00 175.30 175.91 3dxj s VAL 211 N -0.29 -0.87 0.17 3.52 1.01 -1.12 0.13 120.40 122.95 3dxj s VAL 211 Ca -0.04 0.05 -0.30 0.00 0.00 0.00 0.00 61.98 61.69 3dxj s VAL 211 Cb -0.03 -0.89 -0.07 0.00 0.00 0.00 0.00 36.38 35.39 3dxj s VAL 211 CO 0.01 0.02 1.01 -0.60 0.00 0.00 0.00 175.10 175.53 3dxj s ARG 212 N 2.79 4.70 -0.24 2.72 3.52 0.82 -2.74 118.95 130.52 3dxj s ARG 212 Ca -0.01 1.57 -0.02 0.00 -0.13 0.00 0.00 55.73 57.14 3dxj s ARG 212 Cb -0.12 -3.31 0.02 0.00 -1.56 0.00 0.00 34.95 29.98 3dxj s ARG 212 CO -0.17 0.24 -0.06 0.08 -0.81 0.00 0.00 175.30 174.57 3dxj s VAL 213 N -0.42 2.90 -0.35 7.11 1.01 0.36 -2.58 120.40 128.43 3dxj s VAL 213 Ca 0.46 -0.96 -0.13 0.00 0.00 0.00 0.00 61.98 61.35 3dxj s VAL 213 Cb -0.26 -2.45 -0.01 0.00 0.00 0.00 0.00 36.38 33.66 3dxj s VAL 213 CO 0.33 0.24 0.25 -1.61 0.00 0.00 0.00 175.10 174.30 3dxj s GLU 214 N 1.34 3.40 -0.40 2.72 2.02 -1.19 -0.85 118.70 125.74 3dxj s GLU 214 Ca 0.01 -0.71 -0.04 0.00 0.02 0.00 0.00 54.97 54.25 3dxj s GLU 214 Cb -0.16 -3.82 0.10 0.00 0.10 0.00 0.00 34.13 30.34 3dxj s GLU 214 CO -0.05 -0.49 0.20 0.71 0.02 0.00 0.00 175.26 175.65 3dxj s TYR 215 N 1.71 3.51 0.20 1.61 2.02 0.36 -3.14 117.35 123.61 3dxj s TYR 215 Ca 0.06 -2.21 -0.32 0.00 -0.37 0.00 0.00 57.07 54.23 3dxj s TYR 215 Cb -0.18 -3.08 -0.11 0.00 -0.40 0.00 0.00 41.96 38.18 3dxj s TYR 215 CO 0.10 -0.94 1.70 0.08 -1.57 0.00 0.00 175.55 174.92 3dxj s VAL 216 N 1.20 2.16 -0.44 0.71 1.01 -1.26 -2.60 120.40 121.19 3dxj s VAL 216 Ca 0.06 0.10 -0.06 0.00 0.00 0.00 0.00 61.98 62.08 3dxj s VAL 216 Cb -0.23 -3.07 0.11 0.00 0.00 0.00 0.00 36.38 33.20 3dxj s VAL 216 CO -0.03 0.01 0.27 -0.54 0.00 0.00 0.00 175.10 174.81 3dxj s LYS 217 N 1.23 2.21 -0.07 2.72 1.02 0.51 -4.92 119.74 122.43 3dxj s LYS 217 Ca 0.74 -1.80 -0.04 0.00 0.02 0.00 0.00 55.97 54.88 3dxj s LYS 217 Cb -0.48 -3.73 -0.04 0.00 -0.52 0.00 0.00 37.83 33.05 3dxj s LYS 217 CO 0.32 -1.13 0.13 0.15 -0.92 0.00 0.00 175.35 173.90 3dxj s LYS 218 N 1.23 3.34 0.00 1.68 1.02 -1.26 -3.42 119.74 122.33 3dxj s LYS 218 Ca 0.07 -0.26 0.00 0.00 0.02 0.00 0.00 55.97 55.81 3dxj s LYS 218 Cb -0.24 -3.08 0.00 0.00 -0.52 0.00 0.00 37.83 33.99 3dxj s LYS 218 CO -0.03 0.73 0.00 -1.91 -0.92 0.00 0.00 175.35 173.22 3dxj n GLU 219 N 1.64 0.00 -3.79 1.68 2.13 -0.60 -4.99 120.64 116.71 3dxj n GLU 219 Ca -0.17 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.53 3dxj n GLU 219 Cb 0.54 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 32.15 3dxj n GLU 219 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 3dxj s ARG 220 N -0.22 0.49 0.28 5.31 3.52 -1.26 -1.21 118.95 125.86 3dxj s ARG 220 Ca 0.00 0.02 0.03 0.00 -0.13 0.00 0.00 55.73 55.65 3dxj s ARG 220 Cb 0.00 0.22 -0.04 0.00 -1.56 0.00 0.00 34.95 33.57 3dxj s ARG 220 CO 0.00 -0.11 0.18 0.00 -0.81 0.00 0.00 175.30 174.56 3dxj s ALA 221 N -0.71 1.69 0.27 6.12 0.00 -1.25 -5.00 121.76 122.88 3dxj s ALA 221 Ca -0.08 -1.83 0.12 0.00 0.00 0.00 0.00 51.96 50.17 3dxj s ALA 221 Cb -0.04 1.31 -0.05 0.00 0.00 0.00 0.00 23.12 24.34 3dxj s ALA 221 CO 0.02 -0.57 -0.20 0.20 0.00 0.00 0.00 175.76 175.21 3dxj s GLY 222 N -3.31 1.86 0.00 0.00 0.00 -1.25 -3.58 107.32 101.04 3dxj s GLY 222 Ca 0.38 -1.84 0.00 0.00 0.00 0.00 0.00 44.72 43.26 3dxj s GLY 222 CO 0.19 -1.93 0.00 -0.10 0.00 0.00 0.00 173.10 171.26 3dxj n LEU 223 N -0.51 0.00 -3.17 0.66 7.94 0.92 -4.56 117.00 118.28 3dxj n LEU 223 Ca -0.06 0.00 0.05 0.00 -1.11 0.00 0.00 56.01 54.89 3dxj n LEU 223 Cb 0.59 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.52 3dxj n LEU 223 CO 0.37 0.00 0.70 -0.60 -1.11 0.00 0.00 177.39 176.75 3dxj s ARG 224 N 1.97 0.12 0.32 1.96 6.06 -1.09 -3.58 118.95 124.72 3dxj s ARG 224 Ca 0.00 0.23 0.05 0.00 -2.50 0.00 0.00 55.73 53.51 3dxj s ARG 224 Cb 0.00 0.13 -0.02 0.00 0.06 0.00 0.00 34.95 35.12 3dxj s ARG 224 CO 0.00 -0.11 0.19 1.28 -2.50 0.00 0.00 175.30 174.16 3dxj n LEU 225 N 5.32 0.00 -4.50 -0.88 4.77 0.41 -4.54 117.00 117.58 3dxj n LEU 225 Ca -0.08 -2.75 -0.41 0.00 -0.03 0.00 0.00 56.01 52.74 3dxj n LEU 225 Cb 0.54 1.18 -0.09 0.00 -2.33 0.00 0.00 43.42 42.72 3dxj n LEU 225 CO -0.11 -0.44 2.07 -2.65 -1.33 0.00 0.00 177.39 174.93 3dxj n PRO 226 N -0.68 0.56 0.00 3.23 -0.02 -1.26 0.35 135.00 137.18 3dxj n PRO 226 Ca 0.01 0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 3dxj n PRO 226 Cb 0.53 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 3dxj n PRO 226 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3dxj n LEU 227 N 12.35 0.00 0.18 2.45 7.94 -1.21 -3.86 117.00 134.85 3dxj n LEU 227 Ca 0.51 0.00 0.03 0.00 -1.11 0.00 0.00 56.01 55.44 3dxj n LEU 227 Cb 0.25 0.00 0.32 0.00 0.53 0.00 0.00 43.42 44.52 3dxj n LEU 227 CO 0.82 0.00 0.65 0.00 -1.11 0.00 0.00 177.39 177.76 3dxj h ALA 228 N -2.78 1.08 -2.30 1.96 0.00 -1.89 -3.44 119.26 111.90 3dxj h ALA 228 Ca 0.00 -0.39 -0.54 0.00 0.00 0.00 0.00 54.91 53.98 3dxj h ALA 228 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3dxj h ALA 228 CO 0.00 0.54 1.14 0.00 0.00 0.00 0.00 179.25 180.93 3dxj s ALA 229 N -3.75 3.61 -0.21 0.00 0.00 -1.25 -4.96 121.76 115.19 3dxj s ALA 229 Ca -0.01 1.07 -0.29 0.00 0.00 0.00 0.00 51.96 52.73 3dxj s ALA 229 Cb 0.12 -3.78 -0.00 0.00 0.00 0.00 0.00 23.12 19.46 3dxj s ALA 229 CO 0.71 -1.46 1.16 -0.46 0.00 0.00 0.00 175.76 175.71 3dxj s TRP 230 N 4.18 3.07 -0.16 0.00 -0.00 -1.26 -4.82 118.94 119.95 3dxj s TRP 230 Ca 0.78 1.22 0.19 0.00 -0.00 0.00 0.00 56.10 58.29 3dxj s TRP 230 Cb -0.36 -3.43 0.40 0.00 -0.00 0.00 0.00 33.47 30.08 3dxj s TRP 230 CO 0.34 -1.11 1.19 0.28 -0.00 0.00 0.00 176.95 177.64 3dxj n VAL 231 N 5.41 0.48 -3.15 5.86 0.31 -1.26 -5.05 118.33 120.93 3dxj n VAL 231 Ca 0.13 -1.59 0.05 0.00 -0.01 0.00 0.00 64.34 62.92 3dxj n VAL 231 Cb 0.46 1.05 -0.01 0.00 -0.91 0.00 0.00 33.84 34.42 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 -1.42 0.35 0.20 5.55 -1.05 -1.26 -4.67 118.70 116.41 3dxj s GLU 232 Ca 0.22 0.58 0.08 0.00 -0.15 0.00 0.00 54.97 55.70 3dxj s GLU 232 Cb 0.32 0.31 -0.04 0.00 -0.44 0.00 0.00 34.13 34.28 3dxj s GLU 232 CO -0.09 -0.42 0.03 0.15 0.95 0.00 0.00 175.26 175.88 3dxj s LYS 233 N 2.91 2.48 0.00 -4.83 1.02 -1.26 -5.00 119.74 115.06 3dxj s LYS 233 Ca 0.10 -1.15 0.08 0.00 0.02 0.00 0.00 55.97 55.01 3dxj s LYS 233 Cb -0.11 -2.36 0.35 0.00 -0.52 0.00 0.00 37.83 35.19 3dxj s LYS 233 CO -0.17 0.43 1.23 0.39 -0.92 0.00 0.00 175.35 176.31 3dxj n GLU 234 N -0.43 0.02 0.00 1.68 -0.58 -1.26 -2.68 120.64 117.39 3dxj n GLU 234 Ca -0.09 0.33 0.00 0.00 -0.42 0.00 0.00 57.16 56.99 3dxj n GLU 234 Cb 0.56 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.93 3dxj n GLU 234 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3dxj n ALA 235 N -1.46 2.19 -2.48 0.62 0.00 -1.26 -4.76 120.51 113.36 3dxj n ALA 235 Ca 0.02 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.21 3dxj n ALA 235 Cb 0.09 -1.00 -0.13 0.00 0.00 0.00 0.00 19.45 18.41 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 -0.56 1.97 0.00 0.00 4.12 -1.09 -5.14 117.35 116.64 3dxj s TYR 236 Ca 0.00 -0.41 0.00 0.00 0.02 0.00 0.00 57.07 56.68 3dxj s TYR 236 Cb 0.00 -1.06 0.00 0.00 -1.52 0.00 0.00 41.96 39.38 3dxj s TYR 236 CO 0.00 0.27 0.00 1.63 0.02 0.00 0.00 175.55 177.47 3dxj n LYS 237 N 0.93 0.00 -2.07 -0.62 4.76 -1.26 -4.95 118.16 114.95 3dxj n LYS 237 Ca -0.18 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 54.83 3dxj n LYS 237 Cb 0.54 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.70 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 1.36 4.20 0.00 1.97 0.04 -1.26 -3.37 135.00 137.94 3dxj s PRO 238 Ca 0.00 2.11 0.00 0.00 0.04 0.00 0.00 61.00 63.15 3dxj s PRO 238 Cb 0.00 -3.88 0.00 0.00 0.04 0.00 0.00 34.50 30.66 3dxj s PRO 238 CO 0.00 -0.79 0.00 0.41 0.04 0.00 0.00 177.00 176.66 3dxj n GLY 239 N 4.00 2.20 1.15 0.56 0.00 -0.97 -4.58 105.19 107.55 3dxj n GLY 239 Ca 0.16 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.10 -0.70 -3.79 1.61 -0.58 -1.22 -4.27 120.64 111.59 3dxj n GLU 240 Ca 0.00 -0.61 -0.31 0.00 -0.42 0.00 0.00 57.16 55.83 3dxj n GLU 240 Cb 0.00 -0.44 -0.04 0.00 -0.57 0.00 0.00 31.44 30.39 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 -1.82 5.27 -0.07 -3.67 1.01 -1.26 0.29 121.20 120.95 3dxj s ILE 241 Ca 0.23 -0.20 -0.08 0.00 0.00 0.00 0.00 60.65 60.59 3dxj s ILE 241 Cb -0.01 -3.64 -0.03 0.00 0.01 0.00 0.00 42.46 38.79 3dxj s ILE 241 CO 0.16 0.06 -0.16 -0.11 0.00 0.00 0.00 174.94 174.89 3dxj n LEU 242 N 0.10 1.08 0.00 2.97 7.94 0.38 -4.83 117.00 124.64 3dxj n LEU 242 Ca -0.04 0.18 -0.22 0.00 -1.11 0.00 0.00 56.01 54.82 3dxj n LEU 242 Cb 0.52 -0.54 -0.01 0.00 0.53 0.00 0.00 43.42 43.91 3dxj n LEU 242 CO 0.50 -0.43 -0.01 0.00 -1.11 0.00 0.00 177.39 176.34 3dxj n ALA 243 N -3.58 0.58 -3.00 1.96 0.00 -1.25 -4.67 120.51 110.55 3dxj n ALA 243 Ca -0.07 -1.75 0.00 0.00 0.00 0.00 0.00 53.44 51.63 3dxj n ALA 243 Cb 0.25 0.79 0.00 0.00 0.00 0.00 0.00 19.45 20.48 3dxj n ALA 243 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3dxj n GLU 244 N -1.37 3.67 -2.21 0.00 2.13 -1.22 -3.21 120.64 118.41 3dxj n GLU 244 Ca -0.06 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.34 3dxj n GLU 244 Cb 0.49 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.20 3dxj n GLU 244 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3dxj n LEU 245 N 0.00 5.88 -4.49 4.31 4.77 -1.26 -0.31 117.00 125.91 3dxj n LEU 245 Ca 0.00 -4.08 -0.44 0.00 -0.03 0.00 0.00 56.01 51.47 3dxj n LEU 245 Cb 0.00 -1.69 -0.01 0.00 -2.33 0.00 0.00 43.42 39.39 3dxj n LEU 245 CO 0.00 0.66 1.42 -2.16 -1.33 0.00 0.00 177.39 175.98 3dxj s PRO 246 N 3.46 3.93 -0.45 3.23 0.04 -1.26 -4.67 135.00 139.28 3dxj s PRO 246 Ca 0.50 -2.20 -0.27 0.00 0.04 0.00 0.00 61.00 59.06 3dxj s PRO 246 Cb 0.08 -5.14 -0.03 0.00 0.04 0.00 0.00 34.50 29.45 3dxj s PRO 246 CO -0.00 -1.89 2.00 -2.00 0.04 0.00 0.00 177.00 175.14 3dxj s GLU 247 N 2.54 2.80 -0.12 4.56 -6.30 -1.26 0.72 118.70 121.63 3dxj s GLU 247 Ca 0.43 1.21 -0.01 0.00 -2.50 0.00 0.00 54.97 54.10 3dxj s GLU 247 Cb -0.02 -4.37 0.03 0.00 0.00 0.00 0.00 34.13 29.78 3dxj s GLU 247 CO -0.01 -2.49 -0.03 -1.25 0.02 0.00 0.00 175.26 171.49 3dxj s PRO 248 N 6.77 1.10 -0.21 4.30 0.04 -1.26 -5.10 135.00 140.64 3dxj s PRO 248 Ca 0.81 -0.22 -0.35 0.00 0.04 0.00 0.00 61.00 61.29 3dxj s PRO 248 Cb -0.19 -1.55 -0.11 0.00 0.04 0.00 0.00 34.50 32.69 3dxj s PRO 248 CO 0.28 -0.36 2.01 0.98 0.04 0.00 0.00 177.00 179.94 3dxj n TYR 249 N 5.01 2.02 -2.69 0.56 9.36 0.22 -4.81 117.16 126.83 3dxj n TYR 249 Ca -0.10 0.13 -0.03 0.00 3.32 0.00 0.00 57.90 61.23 3dxj n TYR 249 Cb 0.49 -2.61 0.03 0.00 -0.63 0.00 0.00 39.34 36.63 3dxj n TYR 249 CO 0.00 0.00 0.00 -1.17 0.22 0.00 0.00 176.86 175.91 3dxj s LEU 250 N 5.59 -0.38 0.27 2.98 2.96 -1.26 -2.07 118.68 126.77 3dxj s LEU 250 Ca 1.00 -0.43 0.08 0.00 -0.22 0.00 0.00 54.13 54.55 3dxj s LEU 250 Cb -0.75 0.50 -0.04 0.00 0.50 0.00 0.00 46.19 46.41 3dxj s LEU 250 CO 0.51 -0.02 0.17 0.12 -1.32 0.00 0.00 176.35 175.81 3dxj s PHE 251 N 1.06 2.96 -0.74 5.38 5.36 -1.26 -5.07 117.98 125.68 3dxj s PHE 251 Ca 0.23 -0.18 -0.26 0.00 -0.96 0.00 0.00 56.93 55.76 3dxj s PHE 251 Cb 0.11 -1.44 0.04 0.00 -0.34 0.00 0.00 43.02 41.39 3dxj s PHE 251 CO -0.11 0.47 1.23 0.50 -1.46 0.00 0.00 175.22 175.86 3dxj s ARG 252 N -3.83 3.19 0.83 10.12 3.52 -1.26 -4.60 118.95 126.92 3dxj s ARG 252 Ca 0.34 -0.39 -0.14 0.00 -0.13 0.00 0.00 55.73 55.42 3dxj s ARG 252 Cb -0.07 -4.24 0.20 0.00 -1.56 0.00 0.00 34.95 29.28 3dxj s ARG 252 CO 0.24 -2.09 0.92 0.00 -0.81 0.00 0.00 175.30 173.56 3dxj n ALA 253 N 9.06 -1.83 -1.66 6.12 0.00 -1.25 -4.48 120.51 126.47 3dxj n ALA 253 Ca 0.03 -1.28 0.00 0.00 0.00 0.00 0.00 53.44 52.20 3dxj n ALA 253 Cb 0.48 -0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.86 3dxj n ALA 253 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3dxj n GLU 254 N -3.55 0.00 -2.24 0.00 -0.58 -1.26 -1.28 120.64 111.73 3dxj n GLU 254 Ca 0.12 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.44 3dxj n GLU 254 Cb 0.44 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.28 3dxj n GLU 254 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3dxj s GLU 255 N 0.00 4.32 0.00 3.49 2.02 -1.26 -4.38 118.70 122.89 3dxj s GLU 255 Ca 0.00 1.97 0.00 0.00 0.02 0.00 0.00 54.97 56.96 3dxj s GLU 255 Cb 0.00 -3.43 0.00 0.00 0.10 0.00 0.00 34.13 30.80 3dxj s GLU 255 CO 0.00 -0.48 0.00 -0.85 0.02 0.00 0.00 175.26 173.95 3dxj n GLU 256 N 4.67 2.98 0.00 1.61 0.28 -1.26 -4.80 120.64 124.11 3dxj n GLU 256 Ca 0.12 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.12 3dxj n GLU 256 Cb 0.44 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.31 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 5.00 -0.37 2.93 -1.84 0.00 -1.26 -4.22 105.19 105.43 3dxj n GLY 257 Ca 0.00 -0.33 -0.23 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.05 0.81 0.34 1.61 1.01 0.01 -4.61 120.40 118.53 3dxj s VAL 258 Ca 0.00 -0.26 -0.28 0.00 0.00 0.00 0.00 61.98 61.45 3dxj s VAL 258 Cb 0.00 -0.81 -0.12 0.00 0.00 0.00 0.00 36.38 35.45 3dxj s VAL 258 CO 0.00 0.30 1.28 0.55 0.00 0.00 0.00 175.10 177.23 3dxj n VAL 259 N 4.20 2.02 -3.07 2.92 3.14 -1.26 0.63 118.33 126.91 3dxj n VAL 259 Ca -0.21 -0.50 0.02 0.00 -2.96 0.00 0.00 64.34 60.69 3dxj n VAL 259 Cb 0.51 -1.56 -0.00 0.00 -1.06 0.00 0.00 33.84 31.73 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 -1.89 0.59 0.09 1.45 2.02 -0.74 -4.87 118.70 115.35 3dxj s GLU 260 Ca 0.56 -0.13 -0.21 0.00 0.02 0.00 0.00 54.97 55.21 3dxj s GLU 260 Cb -0.57 0.08 -0.07 0.00 0.10 0.00 0.00 34.13 33.68 3dxj s GLU 260 CO 0.62 -0.87 0.61 -0.51 0.02 0.00 0.00 175.26 175.13 3dxj s LEU 261 N 1.99 4.54 0.16 1.80 1.43 -1.24 0.64 118.68 128.00 3dxj s LEU 261 Ca 0.16 1.34 0.05 0.00 -1.03 0.00 0.00 54.13 54.65 3dxj s LEU 261 Cb -0.02 -2.98 -0.04 0.00 0.03 0.00 0.00 46.19 43.18 3dxj s LEU 261 CO -0.11 0.26 0.10 -0.75 0.23 0.00 0.00 176.35 176.08 3dxj s LYS 262 N -1.09 2.78 0.36 1.70 2.20 0.20 -4.86 119.74 121.03 3dxj s LYS 262 Ca 0.30 -0.91 -0.01 0.00 -0.36 0.00 0.00 55.97 54.99 3dxj s LYS 262 Cb -0.20 -2.58 -0.04 0.00 -1.51 0.00 0.00 37.83 33.50 3dxj s LYS 262 CO 0.20 0.48 0.59 -1.83 -0.36 0.00 0.00 175.35 174.44 3dxj s GLU 263 N -3.00 3.52 0.34 4.03 -1.05 -1.25 -1.30 118.70 119.98 3dxj s GLU 263 Ca 0.30 -0.18 -0.06 0.00 -0.15 0.00 0.00 54.97 54.87 3dxj s GLU 263 Cb -0.10 -2.61 0.03 0.00 -0.44 0.00 0.00 34.13 31.01 3dxj s GLU 263 CO 0.22 0.09 0.56 1.28 0.95 0.00 0.00 175.26 178.36 3dxj n LEU 264 N -1.74 0.00 0.17 1.83 4.77 0.87 -4.87 117.00 118.03 3dxj n LEU 264 Ca -0.03 -2.55 0.04 0.00 -0.03 0.00 0.00 56.01 53.43 3dxj n LEU 264 Cb 0.56 2.80 0.29 0.00 -2.33 0.00 0.00 43.42 44.73 3dxj n LEU 264 CO 0.49 -0.68 0.63 -0.08 -1.33 0.00 0.00 177.39 176.43 3dxj h GLU 265 N 0.00 0.00 -0.16 3.23 4.81 -2.00 -3.32 114.58 117.14 3dxj h GLU 265 Ca -0.27 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 58.76 3dxj h GLU 265 Cb 1.12 0.00 -0.29 0.00 0.63 0.00 0.00 28.75 30.21 3dxj h GLU 265 CO 0.36 0.44 -0.74 0.39 -0.73 0.00 0.00 179.01 178.73 3dxj n GLU 266 N -3.60 1.06 -3.74 1.92 4.71 -1.26 -5.08 120.64 114.65 3dxj n GLU 266 Ca -0.00 -2.20 -0.13 0.00 -0.01 0.00 0.00 57.16 54.81 3dxj n GLU 266 Cb 0.54 -0.42 -0.10 0.00 -1.01 0.00 0.00 31.44 30.45 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 -2.29 -0.27 -0.53 0.62 0.00 -1.25 -3.30 107.32 100.29 3dxj s GLY 267 Ca 0.19 0.95 0.07 0.00 0.00 0.00 0.00 44.72 45.93 3dxj s GLY 267 CO -0.08 0.79 0.69 0.00 0.00 0.00 0.00 173.10 174.49 3dxj n ALA 268 N 2.58 3.45 -1.62 3.20 0.00 -1.21 -0.09 120.51 126.82 3dxj n ALA 268 Ca -0.15 -4.23 -0.43 0.00 0.00 0.00 0.00 53.44 48.64 3dxj n ALA 268 Cb 0.57 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 19.16 3dxj n ALA 268 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3dxj n PHE 269 N 0.92 1.36 -3.65 0.00 7.35 -0.42 -4.45 117.46 118.57 3dxj n PHE 269 Ca 0.27 0.60 -0.39 0.00 -0.76 0.00 0.00 57.45 57.17 3dxj n PHE 269 Cb 0.46 -2.26 -0.11 0.00 0.35 0.00 0.00 39.48 37.92 3dxj n PHE 269 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 3dxj s LEU 270 N -0.26 4.80 -0.02 -2.13 2.96 0.20 0.60 118.68 124.83 3dxj s LEU 270 Ca 0.60 -1.28 -0.20 0.00 -0.22 0.00 0.00 54.13 53.03 3dxj s LEU 270 Cb -0.60 -1.96 -0.05 0.00 0.50 0.00 0.00 46.19 44.08 3dxj s LEU 270 CO 0.59 -0.44 0.58 -0.69 -1.32 0.00 0.00 176.35 175.07 3dxj s VAL 271 N 1.45 4.96 -0.62 1.68 1.01 0.21 -2.79 120.40 126.29 3dxj s VAL 271 Ca 0.01 1.20 -0.07 0.00 0.00 0.00 0.00 61.98 63.13 3dxj s VAL 271 Cb -0.21 -3.91 0.16 0.00 0.00 0.00 0.00 36.38 32.42 3dxj s VAL 271 CO 0.03 0.40 0.48 -0.76 0.00 0.00 0.00 175.10 175.26 3dxj s LEU 272 N -0.06 5.74 -1.26 3.92 1.43 -1.13 -1.80 118.68 125.51 3dxj s LEU 272 Ca 0.30 -2.51 -0.13 0.00 -1.03 0.00 0.00 54.13 50.77 3dxj s LEU 272 Cb -0.18 -1.98 0.15 0.00 0.03 0.00 0.00 46.19 44.21 3dxj s LEU 272 CO 0.16 -0.52 1.66 0.54 0.23 0.00 0.00 176.35 178.42 3dxj n ARG 273 N 4.06 3.38 0.18 1.70 1.74 0.20 -3.35 116.66 124.58 3dxj n ARG 273 Ca 0.04 -3.59 0.04 0.00 -0.77 0.00 0.00 57.85 53.57 3dxj n ARG 273 Cb 0.41 -3.09 0.35 0.00 -1.02 0.00 0.00 32.46 29.11 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 6.71 0.00 0.00 5.56 2.43 -1.73 0.06 114.38 127.41 3dxj h ARG 274 Ca 0.38 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.55 3dxj h ARG 274 Cb 0.78 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.33 3dxj h ARG 274 CO 1.43 0.40 0.00 0.39 -1.51 0.00 0.00 179.97 180.68 3dxj n GLU 275 N -3.83 0.00 0.00 0.20 1.02 -1.26 -4.78 120.64 111.99 3dxj n GLU 275 Ca -0.01 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.27 3dxj n GLU 275 Cb 0.46 0.00 0.64 0.00 -0.02 0.00 0.00 31.44 32.52 3dxj n GLU 275 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3dxj n ASP 276 N 0.00 0.12 -4.91 1.62 8.00 -1.26 -4.79 116.55 115.33 3dxj n ASP 276 Ca 0.00 0.01 -0.31 0.00 0.71 0.00 0.00 54.79 55.19 3dxj n ASP 276 Cb 0.00 -0.28 -0.04 0.00 -0.02 0.00 0.00 41.12 40.78 3dxj n ASP 276 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3dxj s GLU 277 N -2.75 3.47 -1.41 -1.24 2.12 -1.26 -5.00 118.70 112.63 3dxj s GLU 277 Ca 0.22 -0.35 -0.10 0.00 0.36 0.00 0.00 54.97 55.10 3dxj s GLU 277 Cb 0.20 -3.02 0.07 0.00 0.26 0.00 0.00 34.13 31.63 3dxj s GLU 277 CO 0.51 0.60 2.34 -0.35 -0.54 0.00 0.00 175.26 177.82 3dxj n PRO 278 N 0.37 3.72 -0.50 4.30 -0.04 -1.26 -4.12 135.00 137.46 3dxj n PRO 278 Ca -0.05 -2.99 0.44 0.00 -0.04 0.00 0.00 63.50 60.85 3dxj n PRO 278 Cb 0.51 -2.90 0.75 0.00 -0.04 0.00 0.00 33.50 31.82 3dxj n PRO 278 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3dxj h VAL 279 N 3.33 0.12 -1.74 0.52 2.07 -1.87 -3.42 116.25 115.27 3dxj h VAL 279 Ca 0.63 0.00 0.04 0.00 0.82 0.00 0.00 66.70 68.19 3dxj h VAL 279 Cb 0.47 0.13 -0.24 0.00 -1.52 0.00 0.00 31.29 30.12 3dxj h VAL 279 CO 1.69 0.00 0.30 0.00 0.02 0.00 0.00 177.57 179.58 3dxj s ALA 280 N -4.81 -1.98 -0.07 1.67 0.00 -1.26 -4.95 121.76 110.37 3dxj s ALA 280 Ca -0.05 2.06 0.02 0.00 0.00 0.00 0.00 51.96 54.00 3dxj s ALA 280 Cb 0.23 -1.44 -0.03 0.00 0.00 0.00 0.00 23.12 21.89 3dxj s ALA 280 CO 0.79 -0.30 -0.12 0.95 0.00 0.00 0.00 175.76 177.08 3dxj s THR 281 N 0.71 3.22 -0.19 0.00 -4.23 -1.26 -2.85 115.64 111.03 3dxj s THR 281 Ca -0.02 -0.66 -0.08 0.00 -1.18 0.00 0.00 61.69 59.75 3dxj s THR 281 Cb -0.05 -2.29 0.08 0.00 1.34 0.00 0.00 72.50 71.58 3dxj s THR 281 CO -0.09 0.58 0.43 -0.31 -0.54 0.00 0.00 174.62 174.70 3dxj s TYR 282 N -0.59 -0.73 0.02 3.99 1.51 -1.12 -3.86 117.35 116.58 3dxj s TYR 282 Ca 0.08 1.46 0.07 0.00 -1.01 0.00 0.00 57.07 57.68 3dxj s TYR 282 Cb -0.11 0.31 -0.03 0.00 -0.11 0.00 0.00 41.96 42.02 3dxj s TYR 282 CO 0.01 -0.43 -0.21 0.12 -1.11 0.00 0.00 175.55 173.93 3dxj s PHE 283 N 2.06 2.47 -0.27 2.71 5.36 -1.26 0.62 117.98 129.67 3dxj s PHE 283 Ca -0.05 -0.32 -0.00 0.00 -0.96 0.00 0.00 56.93 55.60 3dxj s PHE 283 Cb -0.10 -1.47 0.08 0.00 -0.34 0.00 0.00 43.02 41.20 3dxj s PHE 283 CO -0.13 0.17 0.05 -0.51 -1.46 0.00 0.00 175.22 173.34 3dxj s LEU 284 N -1.18 2.35 0.00 6.12 1.43 -1.26 -4.99 118.68 121.15 3dxj s LEU 284 Ca 0.13 -1.43 -0.12 0.00 -1.03 0.00 0.00 54.13 51.67 3dxj s LEU 284 Cb -0.10 -0.95 0.18 0.00 0.03 0.00 0.00 46.19 45.35 3dxj s LEU 284 CO 0.03 -0.35 0.55 -0.81 0.23 0.00 0.00 176.35 176.00 3dxj n PRO 285 N 4.79 -2.74 -1.74 1.29 -0.04 -1.26 -4.11 135.00 131.19 3dxj n PRO 285 Ca -0.05 -0.90 -0.18 0.00 -0.04 0.00 0.00 63.50 62.33 3dxj n PRO 285 Cb 0.43 -0.96 -0.09 0.00 -0.04 0.00 0.00 33.50 32.85 3dxj n PRO 285 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3dxj s VAL 286 N -1.90 3.17 0.00 0.52 1.01 0.21 -2.63 120.40 120.78 3dxj s VAL 286 Ca 0.38 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.11 3dxj s VAL 286 Cb -0.05 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.43 3dxj s VAL 286 CO 0.30 -0.33 0.00 0.61 0.00 0.00 0.00 175.10 175.69 3dxj n GLY 287 N 6.30 0.04 3.19 4.51 0.00 -1.26 -0.49 105.19 117.48 3dxj n GLY 287 Ca 0.43 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.16 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 2.47 -0.39 1.61 0.00 -1.08 -4.18 119.30 117.73 3dxj s MET 288 Ca 0.00 -0.76 -0.22 0.00 0.00 0.00 0.00 55.69 54.70 3dxj s MET 288 Cb 0.00 -1.98 0.01 0.00 0.00 0.00 0.00 34.83 32.86 3dxj s MET 288 CO 0.00 0.22 0.74 0.99 0.00 0.00 0.00 175.02 176.98 3dxj s THR 289 N 0.19 4.75 -1.00 10.11 2.01 -1.25 -4.72 115.64 125.74 3dxj s THR 289 Ca -0.11 0.65 -0.23 0.00 0.31 0.00 0.00 61.69 62.31 3dxj s THR 289 Cb -0.15 -4.21 0.01 0.00 0.01 0.00 0.00 72.50 68.16 3dxj s THR 289 CO 0.05 -0.49 1.67 -2.16 -0.69 0.00 0.00 174.62 173.01 3dxj s PRO 290 N 3.05 3.18 0.01 4.92 0.04 -1.26 -4.00 135.00 140.93 3dxj s PRO 290 Ca 0.29 -0.86 -0.30 0.00 0.04 0.00 0.00 61.00 60.17 3dxj s PRO 290 Cb -0.13 -5.25 -0.08 0.00 0.04 0.00 0.00 34.50 29.08 3dxj s PRO 290 CO 0.18 -2.73 1.87 -1.17 0.04 0.00 0.00 177.00 175.19 3dxj s LEU 291 N 7.11 4.40 0.00 -3.56 2.96 -1.26 -4.96 118.68 123.37 3dxj s LEU 291 Ca 0.56 2.54 0.00 0.00 -0.22 0.00 0.00 54.13 57.01 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 -0.04 -1.01 0.00 1.33 -1.32 0.00 0.00 176.35 175.30 3dxj n VAL 292 N 5.53 0.00 0.69 1.68 0.24 -1.26 -4.38 118.33 120.82 3dxj n VAL 292 Ca 0.19 0.21 0.12 0.00 -2.04 0.00 0.00 64.34 62.82 3dxj n VAL 292 Cb 0.42 -1.11 0.47 0.00 -1.47 0.00 0.00 33.84 32.15 3dxj n VAL 292 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 3dxj n VAL 293 N 0.00 0.51 -2.81 3.34 0.24 -1.26 -4.61 118.33 113.75 3dxj n VAL 293 Ca 0.00 -0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.87 3dxj n VAL 293 Cb 0.00 -0.74 -0.03 0.00 -1.47 0.00 0.00 33.84 31.60 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 -3.09 2.86 0.00 6.34 4.02 -1.26 -4.22 115.29 119.94 3dxj s HIS 294 Ca 0.10 -1.04 0.00 0.00 1.02 0.00 0.00 55.06 55.14 3dxj s HIS 294 Cb 0.13 -4.40 0.00 0.00 -1.02 0.00 0.00 32.58 27.30 3dxj s HIS 294 CO 0.48 -1.65 0.00 0.41 1.02 0.00 0.00 174.74 174.99 3dxj n GLY 295 N 5.79 0.05 3.02 -2.22 0.00 -1.26 -2.44 105.19 108.12 3dxj n GLY 295 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 3dxj n GLY 295 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dxj n GLU 296 N 0.00 3.92 -0.00 1.61 4.71 -1.26 -3.76 120.64 125.86 3dxj n GLU 296 Ca 0.00 -4.04 -0.00 0.00 -0.01 0.00 0.00 57.16 53.11 3dxj n GLU 296 Cb 0.00 -2.75 -0.00 0.00 -1.01 0.00 0.00 31.44 27.68 3dxj n GLU 296 CO 0.00 0.00 0.00 1.51 0.09 0.00 0.00 177.13 178.73 3dxj n ILE 297 N 2.63 0.15 -2.69 -3.67 3.06 -1.26 -4.89 119.36 112.69 3dxj n ILE 297 Ca 0.33 0.24 -0.00 0.00 -2.50 0.00 0.00 62.75 60.81 3dxj n ILE 297 Cb 0.36 -1.31 0.04 0.00 0.54 0.00 0.00 39.64 39.27 3dxj n ILE 297 CO 0.00 0.00 0.00 0.52 -2.50 0.00 0.00 176.55 174.57 3dxj n VAL 298 N -2.65 1.07 -4.17 9.51 0.31 -1.26 -4.98 118.33 116.15 3dxj n VAL 298 Ca -0.01 -2.56 -0.31 0.00 -0.01 0.00 0.00 64.34 61.45 3dxj n VAL 298 Cb 0.03 1.06 -0.05 0.00 -0.91 0.00 0.00 33.84 33.97 3dxj n VAL 298 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 3dxj n GLU 299 N -0.36 -2.51 -0.86 5.55 0.28 -1.26 -4.85 120.64 116.63 3dxj n GLU 299 Ca 0.09 0.30 -0.04 0.00 -0.16 0.00 0.00 57.16 57.35 3dxj n GLU 299 Cb 0.89 -4.51 0.26 0.00 1.43 0.00 0.00 31.44 29.51 3dxj n GLU 299 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3dxj n LYS 300 N -4.41 3.39 -3.17 3.44 5.02 -1.25 -4.07 118.16 117.11 3dxj n LYS 300 Ca -0.16 -2.58 -0.23 0.00 -2.02 0.00 0.00 58.31 53.32 3dxj n LYS 300 Cb 0.61 -2.08 0.04 0.00 -0.02 0.00 0.00 35.03 33.58 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 -0.02 -0.52 0.42 0.72 0.00 -0.41 -3.93 105.19 101.45 3dxj n GLY 301 Ca 0.34 0.15 0.23 0.00 0.00 0.00 0.00 46.02 46.73 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 -1.54 0.19 -5.74 1.61 4.15 -1.86 -3.39 115.11 108.53 3dxj h GLN 302 Ca -0.53 -0.01 -0.46 0.00 0.77 0.00 0.00 58.65 58.42 3dxj h GLN 302 Cb 1.36 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 29.00 3dxj h GLN 302 CO 0.57 0.13 1.48 -1.25 -1.93 0.00 0.00 178.83 177.82 3dxj s PRO 303 N -5.20 2.28 -0.43 -2.39 0.04 -1.02 -4.55 135.00 123.72 3dxj s PRO 303 Ca -0.07 1.06 -0.05 0.00 0.04 0.00 0.00 61.00 61.99 3dxj s PRO 303 Cb 0.22 -4.53 -0.14 0.00 0.04 0.00 0.00 34.50 30.10 3dxj s PRO 303 CO 0.77 -3.12 2.52 1.28 0.04 0.00 0.00 177.00 178.49 3dxj n LEU 304 N 14.82 4.51 -4.67 -3.56 4.77 -1.26 -4.85 117.00 126.75 3dxj n LEU 304 Ca 0.31 -2.70 -0.43 0.00 -0.03 0.00 0.00 56.01 53.16 3dxj n LEU 304 Cb 0.53 -1.07 -0.02 0.00 -2.33 0.00 0.00 43.42 40.53 3dxj n LEU 304 CO 0.70 1.01 1.13 0.00 -1.33 0.00 0.00 177.39 178.90 3dxj s ALA 305 N 2.20 3.61 -0.20 -1.18 0.00 -1.26 -4.92 121.76 120.01 3dxj s ALA 305 Ca 0.46 0.67 -0.09 0.00 0.00 0.00 0.00 51.96 53.00 3dxj s ALA 305 Cb 0.18 -3.62 -0.05 0.00 0.00 0.00 0.00 23.12 19.63 3dxj s ALA 305 CO -0.02 -1.09 0.11 -1.21 0.00 0.00 0.00 175.76 173.56 3dxj s GLU 306 N 3.15 4.09 -0.30 0.00 2.02 -1.26 -4.50 118.70 121.91 3dxj s GLU 306 Ca 0.61 -0.27 -0.04 0.00 0.02 0.00 0.00 54.97 55.28 3dxj s GLU 306 Cb -0.27 -3.38 0.03 0.00 0.10 0.00 0.00 34.13 30.61 3dxj s GLU 306 CO 0.21 0.23 0.04 0.00 0.02 0.00 0.00 175.26 175.76 3dxj s ALA 307 N 0.53 2.92 -0.00 5.21 0.00 -0.88 -3.86 121.76 125.67 3dxj s ALA 307 Ca 0.06 -1.58 -0.00 0.00 0.00 0.00 0.00 51.96 50.44 3dxj s ALA 307 Cb -0.12 -2.03 0.00 0.00 0.00 0.00 0.00 23.12 20.98 3dxj s ALA 307 CO 0.00 -1.06 0.01 0.15 0.00 0.00 0.00 175.76 174.86 3dxj s LYS 308 N 1.39 0.01 2.02 0.00 1.02 -1.26 -1.76 119.74 121.16 3dxj s LYS 308 Ca -0.01 0.02 0.00 0.00 0.02 0.00 0.00 55.97 56.00 3dxj s LYS 308 Cb -0.18 -0.01 0.00 0.00 -0.52 0.00 0.00 37.83 37.12 3dxj s LYS 308 CO 0.00 -0.01 0.00 0.41 -0.92 0.00 0.00 175.35 174.83 3dxj n GLY 309 N 3.13 0.90 3.45 -3.33 0.00 0.58 -4.62 105.19 105.31 3dxj n GLY 309 Ca -0.13 -0.66 -0.49 0.00 0.00 0.00 0.00 46.02 44.74 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 2.10 -3.39 0.99 4.77 -1.26 -3.46 117.00 116.75 3dxj n LEU 310 Ca 0.00 0.36 -0.28 0.00 -0.03 0.00 0.00 56.01 56.05 3dxj n LEU 310 Cb 0.00 -1.27 -0.07 0.00 -2.33 0.00 0.00 43.42 39.75 3dxj n LEU 310 CO 0.00 -0.77 0.17 0.18 -1.33 0.00 0.00 177.39 175.64 3dxj n LEU 311 N 10.20 4.09 -4.69 2.23 4.77 -1.20 -4.39 117.00 128.00 3dxj n LEU 311 Ca 0.42 -5.47 -0.30 0.00 -0.03 0.00 0.00 56.01 50.63 3dxj n LEU 311 Cb 0.24 -0.70 0.15 0.00 -2.33 0.00 0.00 43.42 40.78 3dxj n LEU 311 CO 0.76 2.08 0.66 -0.13 -1.33 0.00 0.00 177.39 179.43 3dxj s ARG 312 N -2.67 1.16 0.04 3.23 0.52 0.35 -0.47 118.95 121.12 3dxj s ARG 312 Ca 0.41 1.07 0.00 0.00 -0.52 0.00 0.00 55.73 56.69 3dxj s ARG 312 Cb 0.16 -1.78 -0.04 0.00 0.52 0.00 0.00 34.95 33.81 3dxj s ARG 312 CO -0.02 -2.38 0.16 -1.64 0.02 0.00 0.00 175.30 171.44 3dxj s MET 313 N -4.80 3.26 0.46 3.54 -1.94 0.83 0.66 119.30 121.31 3dxj s MET 313 Ca 0.64 -0.48 -0.25 0.00 -1.71 0.00 0.00 55.69 53.89 3dxj s MET 313 Cb -0.20 -2.95 -0.08 0.00 2.01 0.00 0.00 34.83 33.61 3dxj s MET 313 CO 0.58 0.62 1.37 -2.14 -0.01 0.00 0.00 175.02 175.43 3dxj s PRO 314 N -2.27 3.64 0.38 2.03 0.02 -1.26 -2.30 135.00 135.25 3dxj s PRO 314 Ca 0.31 2.28 0.20 0.00 0.02 0.00 0.00 61.00 63.80 3dxj s PRO 314 Cb -0.13 -2.58 0.66 0.00 0.02 0.00 0.00 34.50 32.47 3dxj s PRO 314 CO 0.23 -0.80 1.71 0.00 -0.33 0.00 0.00 177.00 177.81 3dxj h ARG 315 N 2.21 0.00 0.00 5.54 -0.00 -1.89 -2.73 114.38 117.52 3dxj h ARG 315 Ca -0.50 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 58.98 3dxj h ARG 315 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.24 3dxj h ARG 315 CO 0.61 0.33 0.00 0.00 0.00 0.00 0.00 179.97 180.91 3dxj n GLN 316 N -3.41 0.89 -3.68 0.04 10.64 -1.26 -4.71 117.38 115.89 3dxj n GLN 316 Ca 0.00 0.00 -0.13 0.00 -1.83 0.00 0.00 57.00 55.04 3dxj n GLN 316 Cb 0.52 -1.50 -0.13 0.00 -0.86 0.00 0.00 30.24 28.27 3dxj n GLN 316 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 3dxj s VAL 317 N -2.00 -0.30 0.66 -0.39 0.11 -1.22 -4.09 120.40 113.16 3dxj s VAL 317 Ca 0.42 0.25 -0.11 0.00 -2.93 0.00 0.00 61.98 59.61 3dxj s VAL 317 Cb 0.19 -0.41 -0.02 0.00 -1.53 0.00 0.00 36.38 34.61 3dxj s VAL 317 CO 0.33 0.11 1.05 -0.13 -3.33 0.00 0.00 175.10 173.12 3dxj s ARG 318 N 2.10 3.27 0.05 1.54 0.52 -0.69 -4.22 118.95 121.53 3dxj s ARG 318 Ca -0.01 0.81 -0.14 0.00 -0.52 0.00 0.00 55.73 55.87 3dxj s ARG 318 Cb -0.12 -2.04 0.02 0.00 0.52 0.00 0.00 34.95 33.34 3dxj s ARG 318 CO -0.08 -0.82 0.30 0.00 0.02 0.00 0.00 175.30 174.72 3dxj s ALA 319 N -3.13 -0.67 0.07 2.13 0.00 -1.25 -2.99 121.76 115.91 3dxj s ALA 319 Ca 0.56 -0.01 -0.22 0.00 0.00 0.00 0.00 51.96 52.30 3dxj s ALA 319 Cb -0.12 0.33 0.07 0.00 0.00 0.00 0.00 23.12 23.40 3dxj s ALA 319 CO 0.54 -0.42 1.00 0.00 0.00 0.00 0.00 175.76 176.89 3dxj n ALA 320 N 0.56 -2.72 -3.75 0.00 0.00 -1.23 -4.75 120.51 108.61 3dxj n ALA 320 Ca -0.18 -0.79 -0.34 0.00 0.00 0.00 0.00 53.44 52.13 3dxj n ALA 320 Cb 0.59 0.32 0.04 0.00 0.00 0.00 0.00 19.45 20.40 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 -0.71 -1.01 -1.61 0.00 6.02 -1.26 -1.28 117.38 117.53 3dxj n GLN 321 Ca 0.01 0.42 -0.34 0.00 -0.01 0.00 0.00 57.00 57.08 3dxj n GLN 321 Cb 0.50 -3.72 0.07 0.00 1.02 0.00 0.00 30.24 28.11 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 -3.43 2.70 -0.32 5.09 0.11 -1.25 -4.04 120.40 119.25 3dxj s VAL 322 Ca 0.44 0.34 0.01 0.00 -2.93 0.00 0.00 61.98 59.85 3dxj s VAL 322 Cb -0.18 -2.90 0.10 0.00 -1.53 0.00 0.00 36.38 31.87 3dxj s VAL 322 CO 0.88 -0.19 0.09 -1.61 -3.33 0.00 0.00 175.10 170.95 3dxj s GLU 323 N -3.94 0.97 -0.24 1.54 2.02 0.24 -4.80 118.70 114.50 3dxj s GLU 323 Ca 0.72 -1.36 -0.11 0.00 0.02 0.00 0.00 54.97 54.24 3dxj s GLU 323 Cb -0.26 -2.39 -0.05 0.00 0.10 0.00 0.00 34.13 31.54 3dxj s GLU 323 CO 0.43 -0.98 0.19 0.00 0.02 0.00 0.00 175.26 174.92 3dxj s ALA 324 N 1.35 3.60 -0.42 5.21 0.00 -1.26 -1.58 121.76 128.66 3dxj s ALA 324 Ca 0.10 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.20 3dxj s ALA 324 Cb -0.18 -2.37 0.11 0.00 0.00 0.00 0.00 23.12 20.68 3dxj s ALA 324 CO -0.19 -0.24 0.18 -1.83 0.00 0.00 0.00 175.76 173.68 3dxj s GLU 325 N 1.15 1.86 -0.41 0.00 -1.05 -1.16 -4.97 118.70 114.12 3dxj s GLU 325 Ca 0.09 -2.01 -0.28 0.00 -0.15 0.00 0.00 54.97 52.62 3dxj s GLU 325 Cb -0.14 -3.43 -0.03 0.00 -0.44 0.00 0.00 34.13 30.10 3dxj s GLU 325 CO 0.05 -1.04 1.91 -2.00 0.95 0.00 0.00 175.26 175.13 3dxj s GLU 326 N 0.75 3.00 -0.30 -4.83 2.56 -1.26 -3.85 118.70 114.78 3dxj s GLU 326 Ca 0.11 1.25 -0.09 0.00 0.00 0.00 0.00 54.97 56.24 3dxj s GLU 326 Cb -0.21 -4.30 0.18 0.00 2.00 0.00 0.00 34.13 31.80 3dxj s GLU 326 CO -0.05 -2.26 0.97 -1.83 -0.56 0.00 0.00 175.26 171.53 3dxj s GLU 327 N 6.35 0.23 0.00 4.30 -1.05 -1.26 -5.11 118.70 122.15 3dxj s GLU 327 Ca 0.80 0.30 0.00 0.00 -0.15 0.00 0.00 54.97 55.92 3dxj s GLU 327 Cb -0.20 0.15 0.00 0.00 -0.44 0.00 0.00 34.13 33.64 3dxj s GLU 327 CO 0.29 -0.35 0.00 0.41 0.95 0.00 0.00 175.26 176.56 3dxj n GLY 328 N 5.30 0.94 0.70 -3.83 0.00 -1.26 -4.56 105.19 102.48 3dxj n GLY 328 Ca 0.02 -0.93 -0.02 0.00 0.00 0.00 0.00 46.02 45.09 3dxj n GLY 328 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3dxj n GLU 329 N 0.00 0.04 -5.26 1.61 2.13 -1.26 -5.03 120.64 112.87 3dxj n GLU 329 Ca 0.00 0.02 -0.31 0.00 0.66 0.00 0.00 57.16 57.53 3dxj n GLU 329 Cb 0.00 -0.69 -0.16 0.00 0.27 0.00 0.00 31.44 30.86 3dxj n GLU 329 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 3dxj s THR 330 N -2.04 2.00 -0.44 6.31 -4.23 -1.26 -3.33 115.64 112.66 3dxj s THR 330 Ca -0.03 -1.06 -0.29 0.00 -1.18 0.00 0.00 61.69 59.13 3dxj s THR 330 Cb 0.01 -1.68 0.02 0.00 1.34 0.00 0.00 72.50 72.19 3dxj s THR 330 CO 0.04 0.56 1.20 -0.69 -0.54 0.00 0.00 174.62 175.19 3dxj s VAL 331 N -0.38 4.16 -0.49 2.29 1.01 1.09 -4.24 120.40 123.83 3dxj s VAL 331 Ca 0.03 1.21 -0.27 0.00 0.00 0.00 0.00 61.98 62.96 3dxj s VAL 331 Cb -0.12 -4.47 -0.03 0.00 0.00 0.00 0.00 36.38 31.76 3dxj s VAL 331 CO 0.01 -0.87 1.91 -0.47 0.00 0.00 0.00 175.10 175.67 3dxj s TYR 332 N 4.59 1.64 0.35 5.22 5.04 -1.25 0.16 117.35 133.10 3dxj s TYR 332 Ca 0.51 0.82 -0.04 0.00 -2.44 0.00 0.00 57.07 55.92 3dxj s TYR 332 Cb -0.10 -4.04 -0.04 0.00 0.35 0.00 0.00 41.96 38.13 3dxj s TYR 332 CO 0.30 -2.58 0.61 -0.51 -1.34 0.00 0.00 175.55 172.02 3dxj s LEU 333 N 8.65 3.95 -0.14 6.97 1.43 -1.18 -2.99 118.68 135.38 3dxj s LEU 333 Ca 0.76 0.71 -0.06 0.00 -1.03 0.00 0.00 54.13 54.51 3dxj s LEU 333 Cb -0.17 -3.57 0.06 0.00 0.03 0.00 0.00 46.19 42.55 3dxj s LEU 333 CO 0.26 -0.31 0.30 -0.89 0.23 0.00 0.00 176.35 175.95 3dxj s THR 334 N -2.28 -0.27 0.00 5.49 2.01 -0.61 -0.06 115.64 119.91 3dxj s THR 334 Ca 0.44 0.20 0.00 0.00 0.31 0.00 0.00 61.69 62.64 3dxj s THR 334 Cb -0.10 -0.48 0.00 0.00 0.01 0.00 0.00 72.50 71.93 3dxj s THR 334 CO 0.34 0.08 0.00 0.18 -0.69 0.00 0.00 174.62 174.53 3dxj n LEU 335 N 4.84 0.00 -4.60 4.42 4.32 -1.24 0.83 117.00 125.58 3dxj n LEU 335 Ca -0.15 0.00 -0.34 0.00 -0.02 0.00 0.00 56.01 55.50 3dxj n LEU 335 Cb 0.52 0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 42.21 3dxj n LEU 335 CO 0.07 0.00 -0.31 0.12 -1.22 0.00 0.00 177.39 176.04 3dxj s PHE 336 N -1.19 3.12 -0.14 -1.77 5.36 -0.40 -3.94 117.98 119.02 3dxj s PHE 336 Ca 0.00 -0.03 0.01 0.00 -0.96 0.00 0.00 56.93 55.95 3dxj s PHE 336 Cb 0.00 -1.92 -0.00 0.00 -0.34 0.00 0.00 43.02 40.76 3dxj s PHE 336 CO 0.00 0.20 -0.17 -0.51 -1.46 0.00 0.00 175.22 173.28 3dxj s LEU 337 N -0.11 2.43 -0.22 6.12 1.43 -0.35 -3.48 118.68 124.50 3dxj s LEU 337 Ca 0.04 -0.46 -0.08 0.00 -1.03 0.00 0.00 54.13 52.60 3dxj s LEU 337 Cb -0.13 -1.54 0.10 0.00 0.03 0.00 0.00 46.19 44.65 3dxj s LEU 337 CO 0.02 0.12 0.48 -1.61 0.23 0.00 0.00 176.35 175.59 3dxj s GLU 338 N 0.62 0.40 0.08 1.70 8.01 -1.16 -1.56 118.70 126.78 3dxj s GLU 338 Ca -0.09 1.12 -0.19 0.00 0.01 0.00 0.00 54.97 55.82 3dxj s GLU 338 Cb -0.16 0.42 0.04 0.00 -4.31 0.00 0.00 34.13 30.12 3dxj s GLU 338 CO 0.03 -0.23 0.45 1.67 0.01 0.00 0.00 175.26 177.19 3dxj s TRP 339 N 2.55 -0.30 -0.19 1.61 1.48 -1.22 -1.70 118.94 121.16 3dxj s TRP 339 Ca -0.04 0.18 -0.18 0.00 -1.06 0.00 0.00 56.10 55.01 3dxj s TRP 339 Cb -0.11 0.29 -0.04 0.00 -1.16 0.00 0.00 33.47 32.45 3dxj s TRP 339 CO -0.14 -0.65 0.48 0.95 -4.06 0.00 0.00 176.95 173.53 3dxj s THR 340 N -3.00 5.14 -0.25 0.66 -4.23 -1.26 -0.37 115.64 112.33 3dxj s THR 340 Ca -0.02 0.90 0.03 0.00 -1.18 0.00 0.00 61.69 61.41 3dxj s THR 340 Cb 0.00 -3.81 0.06 0.00 1.34 0.00 0.00 72.50 70.09 3dxj s THR 340 CO -0.06 0.22 -0.11 -0.70 -0.54 0.00 0.00 174.62 173.42 3dxj s GLU 341 N 1.41 2.23 0.49 3.99 2.12 -1.07 -4.95 118.70 122.92 3dxj s GLU 341 Ca 0.23 -1.30 -0.11 0.00 0.36 0.00 0.00 54.97 54.15 3dxj s GLU 341 Cb -0.15 -2.85 -0.06 0.00 0.26 0.00 0.00 34.13 31.33 3dxj s GLU 341 CO 0.09 -0.56 0.88 -1.25 -0.54 0.00 0.00 175.26 173.89 3dxj s PRO 342 N 1.13 3.73 0.22 4.30 0.04 -1.26 -0.49 135.00 142.67 3dxj s PRO 342 Ca -0.08 0.59 -0.15 0.00 0.04 0.00 0.00 61.00 61.39 3dxj s PRO 342 Cb -0.20 -2.26 0.01 0.00 0.04 0.00 0.00 34.50 32.09 3dxj s PRO 342 CO -0.05 -0.24 0.50 0.15 0.04 0.00 0.00 177.00 177.39 3dxj s LYS 343 N -4.38 1.45 -0.02 4.56 1.02 -0.03 -4.92 119.74 117.43 3dxj s LYS 343 Ca 0.53 -1.05 -0.12 0.00 0.02 0.00 0.00 55.97 55.35 3dxj s LYS 343 Cb -0.10 0.50 0.02 0.00 -0.52 0.00 0.00 37.83 37.72 3dxj s LYS 343 CO 0.39 -0.61 0.26 0.34 -0.92 0.00 0.00 175.35 174.81 3dxj s ASP 344 N -2.94 -0.14 -0.11 2.83 -1.08 -1.26 0.14 116.67 114.11 3dxj s ASP 344 Ca 0.15 0.04 -0.11 0.00 -0.52 0.00 0.00 52.55 52.10 3dxj s ASP 344 Cb -0.01 0.30 0.03 0.00 -1.46 0.00 0.00 42.92 41.78 3dxj s ASP 344 CO 0.03 -0.40 0.31 -0.31 0.52 0.00 0.00 175.17 175.32 3dxj s TYR 345 N -1.24 -0.33 0.39 -5.34 1.51 -1.11 -4.97 117.35 106.26 3dxj s TYR 345 Ca -0.13 0.79 -0.26 0.00 -1.01 0.00 0.00 57.07 56.46 3dxj s TYR 345 Cb -0.06 0.11 -0.09 0.00 -0.11 0.00 0.00 41.96 41.82 3dxj s TYR 345 CO 0.03 -0.18 1.24 1.03 -1.11 0.00 0.00 175.55 176.56 3dxj s ARG 346 N 0.04 4.05 -0.55 -0.62 0.52 -1.25 -2.80 118.95 118.34 3dxj s ARG 346 Ca -0.01 2.02 -0.02 0.00 -0.52 0.00 0.00 55.73 57.20 3dxj s ARG 346 Cb -0.02 -2.76 0.14 0.00 0.52 0.00 0.00 34.95 32.83 3dxj s ARG 346 CO 0.01 -0.38 0.35 0.08 0.02 0.00 0.00 175.30 175.38 3dxj s VAL 347 N -1.31 3.44 0.87 3.52 1.01 0.75 -4.88 120.40 123.80 3dxj s VAL 347 Ca 0.56 -2.76 -0.12 0.00 0.00 0.00 0.00 61.98 59.67 3dxj s VAL 347 Cb -0.35 -3.29 0.11 0.00 0.00 0.00 0.00 36.38 32.86 3dxj s VAL 347 CO 0.45 -0.81 1.09 -1.10 0.00 0.00 0.00 175.10 174.73 3dxj s GLN 348 N 0.24 1.45 0.50 2.72 -0.21 -1.26 -4.18 119.66 118.91 3dxj s GLN 348 Ca 0.15 0.78 0.34 0.00 0.02 0.00 0.00 55.36 56.64 3dxj s GLN 348 Cb -0.21 -1.83 1.46 0.00 1.00 0.00 0.00 33.01 33.42 3dxj s GLN 348 CO -0.03 -2.09 1.74 -1.35 -2.12 0.00 0.00 175.29 171.43 3dxj h PRO 349 N -1.44 0.10 -0.00 2.91 0.11 -1.99 0.18 132.00 131.87 3dxj h PRO 349 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3dxj h PRO 349 Cb 1.28 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3dxj h PRO 349 CO 0.56 0.07 -0.29 -2.39 -0.21 0.00 0.00 178.00 175.73 3dxj n HIS 350 N -4.33 0.00 -2.44 0.65 1.44 -1.26 -4.91 115.22 104.38 3dxj n HIS 350 Ca 0.30 0.00 -0.32 0.00 -2.01 0.00 0.00 57.72 55.69 3dxj n HIS 350 Cb 1.30 -0.29 -0.04 0.00 0.12 0.00 0.00 29.99 31.08 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 -2.87 3.96 -0.09 -1.40 -1.94 0.62 -3.64 119.30 113.94 3dxj s MET 351 Ca 0.16 0.99 -0.03 0.00 -1.71 0.00 0.00 55.69 55.10 3dxj s MET 351 Cb 0.18 -2.14 0.05 0.00 2.01 0.00 0.00 34.83 34.94 3dxj s MET 351 CO 0.60 -0.26 0.16 1.21 -0.01 0.00 0.00 175.02 176.72 3dxj s ASN 352 N -2.93 0.80 -0.16 3.03 2.47 1.28 -4.87 114.94 114.57 3dxj s ASN 352 Ca 0.60 0.30 -0.29 0.00 0.42 0.00 0.00 52.86 53.88 3dxj s ASN 352 Cb -0.10 0.25 -0.02 0.00 -1.45 0.00 0.00 41.25 39.93 3dxj s ASN 352 CO 0.29 -0.25 1.31 0.68 -3.72 0.00 0.00 177.10 175.41 3dxj s VAL 353 N 2.29 4.20 -0.08 -5.21 -7.23 -1.26 -0.39 120.40 112.71 3dxj s VAL 353 Ca 0.03 1.44 0.15 0.00 -1.81 0.00 0.00 61.98 61.79 3dxj s VAL 353 Cb -0.12 -3.94 -0.18 0.00 0.56 0.00 0.00 36.38 32.69 3dxj s VAL 353 CO -0.06 -0.14 0.73 0.52 -0.31 0.00 0.00 175.10 175.84 3dxj n VAL 354 N 5.42 1.40 -3.00 1.32 0.31 -0.11 -4.94 118.33 118.73 3dxj n VAL 354 Ca 0.14 -0.75 -0.31 0.00 -0.01 0.00 0.00 64.34 63.42 3dxj n VAL 354 Cb 0.45 -0.88 -0.04 0.00 -0.91 0.00 0.00 33.84 32.45 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 -2.76 4.78 0.00 2.52 1.01 -1.20 -4.85 120.40 119.91 3dxj s VAL 355 Ca -0.04 0.67 0.00 0.00 0.00 0.00 0.00 61.98 62.61 3dxj s VAL 355 Cb 0.08 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.77 3dxj s VAL 355 CO 0.82 -0.38 0.00 -0.81 0.00 0.00 0.00 175.10 174.72 3dxj n PRO 356 N -0.93 2.43 -1.72 2.72 -0.04 -1.26 -4.98 135.00 131.21 3dxj n PRO 356 Ca 0.02 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.06 3dxj n PRO 356 Cb 0.54 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.97 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 1.06 3.69 -0.15 0.54 8.01 -1.26 -3.96 118.70 126.63 3dxj s GLU 357 Ca 0.00 2.24 -0.05 0.00 0.01 0.00 0.00 54.97 57.17 3dxj s GLU 357 Cb 0.00 -4.22 0.01 0.00 -4.31 0.00 0.00 34.13 25.60 3dxj s GLU 357 CO 0.00 -1.46 0.16 0.41 0.01 0.00 0.00 175.26 174.38 3dxj n GLY 358 N 5.03 -0.13 3.95 -1.39 0.00 -1.18 -4.89 105.19 106.59 3dxj n GLY 358 Ca 0.24 0.22 -0.19 0.00 0.00 0.00 0.00 46.02 46.29 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 -1.24 4.33 0.06 4.61 0.00 -1.25 -4.39 121.76 123.87 3dxj s ALA 359 Ca 0.05 -1.77 -0.21 0.00 0.00 0.00 0.00 51.96 50.03 3dxj s ALA 359 Cb -0.01 -1.35 -0.06 0.00 0.00 0.00 0.00 23.12 21.70 3dxj s ALA 359 CO 0.22 -0.27 0.63 1.03 0.00 0.00 0.00 175.76 177.36 3dxj s ARG 360 N -4.26 4.32 0.07 0.00 0.52 -1.26 -2.93 118.95 115.40 3dxj s ARG 360 Ca 0.52 0.83 0.07 0.00 -0.52 0.00 0.00 55.73 56.63 3dxj s ARG 360 Cb -0.07 -3.28 -0.03 0.00 0.52 0.00 0.00 34.95 32.09 3dxj s ARG 360 CO 0.31 0.52 -0.18 0.08 0.02 0.00 0.00 175.30 176.04 3dxj s VAL 361 N -0.75 1.46 0.29 3.52 1.01 -0.73 -4.91 120.40 120.28 3dxj s VAL 361 Ca 0.31 -1.29 0.11 0.00 0.00 0.00 0.00 61.98 61.12 3dxj s VAL 361 Cb -0.20 -1.32 -0.05 0.00 0.00 0.00 0.00 36.38 34.81 3dxj s VAL 361 CO 0.20 -0.01 -0.15 -1.61 0.00 0.00 0.00 175.10 173.53 3dxj s GLU 362 N -1.52 1.78 0.01 2.72 0.41 -1.25 -1.86 118.70 118.98 3dxj s GLU 362 Ca 0.04 -1.76 -0.01 0.00 -0.41 0.00 0.00 54.97 52.82 3dxj s GLU 362 Cb -0.09 -1.80 -0.00 0.00 -1.78 0.00 0.00 34.13 30.45 3dxj s GLU 362 CO 0.03 0.29 0.42 0.00 -0.49 0.00 0.00 175.26 175.51 3dxj n ALA 363 N -0.69 -0.03 -0.42 5.21 0.00 -1.22 0.14 120.51 123.50 3dxj n ALA 363 Ca -0.05 0.04 -0.12 0.00 0.00 0.00 0.00 53.44 53.31 3dxj n ALA 363 Cb 0.61 0.17 0.05 0.00 0.00 0.00 0.00 19.45 20.27 3dxj n ALA 363 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dxj n GLY 364 N -1.01 3.45 2.99 0.00 0.00 -1.26 -3.11 105.19 106.25 3dxj n GLY 364 Ca 0.00 -0.69 -0.43 0.00 0.00 0.00 0.00 46.02 44.90 3dxj n GLY 364 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3dxj n ASP 365 N 0.28 6.41 -4.35 1.61 -0.08 0.37 -4.95 116.55 115.85 3dxj n ASP 365 Ca 0.24 -3.42 -0.43 0.00 -1.51 0.00 0.00 54.79 49.66 3dxj n ASP 365 Cb 0.72 -1.26 -0.01 0.00 2.34 0.00 0.00 41.12 42.91 3dxj n ASP 365 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 3dxj n LYS 366 N 1.29 0.09 -0.01 -0.67 4.81 -1.26 -4.07 118.16 118.34 3dxj n LYS 366 Ca 0.26 0.03 -0.02 0.00 -0.87 0.00 0.00 58.31 57.72 3dxj n LYS 366 Cb 0.33 -1.08 -0.01 0.00 0.02 0.00 0.00 35.03 34.29 3dxj n LYS 366 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 3dxj n ILE 367 N -0.76 0.16 -3.80 3.15 5.41 -1.17 -4.88 119.36 117.48 3dxj n ILE 367 Ca 0.13 -0.07 -0.12 0.00 1.00 0.00 0.00 62.75 63.68 3dxj n ILE 367 Cb 0.37 -0.67 -0.11 0.00 -0.71 0.00 0.00 39.64 38.52 3dxj n ILE 367 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 3dxj s VAL 368 N -2.06 0.03 0.39 1.39 1.01 -1.24 -0.94 120.40 118.98 3dxj s VAL 368 Ca -0.03 -0.24 0.06 0.00 0.00 0.00 0.00 61.98 61.76 3dxj s VAL 368 Cb 0.01 -0.42 -0.07 0.00 0.00 0.00 0.00 36.38 35.90 3dxj s VAL 368 CO 0.07 -0.13 0.03 0.00 0.00 0.00 0.00 175.10 175.07 3dxj s ALA 369 N -0.47 2.97 0.22 5.51 0.00 0.48 -1.81 121.76 128.66 3dxj s ALA 369 Ca -0.06 -2.12 -0.09 0.00 0.00 0.00 0.00 51.96 49.70 3dxj s ALA 369 Cb -0.04 0.32 0.03 0.00 0.00 0.00 0.00 23.12 23.44 3dxj s ALA 369 CO 0.01 -0.18 0.46 0.00 0.00 0.00 0.00 175.76 176.06 3dxj n ALA 370 N -0.90 -1.06 -0.08 0.00 0.00 -1.26 0.39 120.51 117.61 3dxj n ALA 370 Ca -0.05 -0.72 0.00 0.00 0.00 0.00 0.00 53.44 52.67 3dxj n ALA 370 Cb 0.67 0.56 0.00 0.00 0.00 0.00 0.00 19.45 20.68 3dxj n ALA 370 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 3dxj n ILE 371 N -0.31 0.00 -1.75 0.00 -5.35 -1.24 -4.48 119.36 106.23 3dxj n ILE 371 Ca -0.05 1.46 -0.43 0.00 -0.27 0.00 0.00 62.75 63.46 3dxj n ILE 371 Cb 0.34 -2.38 -0.03 0.00 -1.74 0.00 0.00 39.64 35.83 3dxj n ILE 371 CO 0.00 0.00 0.00 1.51 -1.76 0.00 0.00 176.55 176.30 3dxj s ASP 372 N -2.16 5.56 0.59 7.28 -4.77 -1.26 -4.77 116.67 117.15 3dxj s ASP 372 Ca 0.00 1.63 0.28 0.00 -3.30 0.00 0.00 52.55 51.16 3dxj s ASP 372 Cb 0.00 -2.52 1.51 0.00 -1.09 0.00 0.00 42.92 40.82 3dxj s ASP 372 CO 0.00 -1.92 1.83 1.55 0.70 0.00 0.00 175.17 177.34 3dxj h PRO 373 N 14.48 0.00 -6.65 2.11 0.13 -2.04 -3.38 132.00 136.66 3dxj h PRO 373 Ca -0.38 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.24 3dxj h PRO 373 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 3dxj h PRO 373 CO 1.00 0.00 0.43 -2.00 -0.23 0.00 0.00 178.00 177.20 3dxj s GLU 374 N -3.94 4.65 -0.79 0.86 2.12 -1.26 -4.31 118.70 116.02 3dxj s GLU 374 Ca -0.03 1.63 -0.02 0.00 0.36 0.00 0.00 54.97 56.91 3dxj s GLU 374 Cb 0.08 -3.30 -0.02 0.00 0.26 0.00 0.00 34.13 31.15 3dxj s GLU 374 CO 0.25 0.16 0.72 0.39 -0.54 0.00 0.00 175.26 176.24 3dxj n GLU 375 N 2.36 -1.55 -4.38 4.30 -0.58 -1.26 -5.02 120.64 114.51 3dxj n GLU 375 Ca 0.02 1.19 -0.21 0.00 -0.42 0.00 0.00 57.16 57.74 3dxj n GLU 375 Cb 0.47 -5.47 -0.09 0.00 -0.57 0.00 0.00 31.44 25.78 3dxj n GLU 375 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3dxj s GLU 376 N -3.49 1.74 -0.11 3.49 2.02 -1.26 -4.98 118.70 116.11 3dxj s GLU 376 Ca 0.16 -2.02 -0.29 0.00 0.02 0.00 0.00 54.97 52.84 3dxj s GLU 376 Cb -0.02 -0.19 -0.03 0.00 0.10 0.00 0.00 34.13 33.99 3dxj s GLU 376 CO 0.69 -0.50 1.47 0.08 0.02 0.00 0.00 175.26 177.03 3dxj s VAL 377 N -3.44 3.91 0.34 2.63 1.01 -0.75 -5.01 120.40 119.09 3dxj s VAL 377 Ca 0.33 1.10 0.09 0.00 0.00 0.00 0.00 61.98 63.50 3dxj s VAL 377 Cb 0.04 -3.72 -0.06 0.00 0.00 0.00 0.00 36.38 32.64 3dxj s VAL 377 CO 0.19 -0.11 -0.06 -0.51 0.00 0.00 0.00 175.10 174.60 3dxj s ILE 378 N 3.84 2.39 0.32 2.22 2.07 -1.26 -3.02 121.20 127.76 3dxj s ILE 378 Ca 0.65 -2.14 0.08 0.00 -1.41 0.00 0.00 60.65 57.83 3dxj s ILE 378 Cb -0.27 -2.68 -0.04 0.00 0.13 0.00 0.00 42.46 39.60 3dxj s ILE 378 CO 0.23 -0.21 0.17 0.00 -1.91 0.00 0.00 174.94 173.22 3dxj s ALA 379 N -2.57 3.56 0.06 1.50 0.00 -1.24 -4.65 121.76 118.43 3dxj s ALA 379 Ca 0.33 -1.70 -0.02 0.00 0.00 0.00 0.00 51.96 50.57 3dxj s ALA 379 Cb 0.01 -0.94 0.01 0.00 0.00 0.00 0.00 23.12 22.20 3dxj s ALA 379 CO 0.17 0.09 0.12 0.39 0.00 0.00 0.00 175.76 176.53 3dxj n GLU 380 N -1.18 0.17 -1.64 0.00 1.02 -1.18 -4.52 120.64 113.31 3dxj n GLU 380 Ca -0.04 -0.37 -0.57 0.00 -0.02 0.00 0.00 57.16 56.16 3dxj n GLU 380 Cb 0.60 0.44 -0.08 0.00 -0.02 0.00 0.00 31.44 32.39 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 -2.61 0.03 -3.82 0.62 0.00 -1.26 -3.39 120.51 110.08 3dxj n ALA 381 Ca -0.03 0.30 -0.32 0.00 0.00 0.00 0.00 53.44 53.39 3dxj n ALA 381 Cb 0.09 -2.26 0.02 0.00 0.00 0.00 0.00 19.45 17.30 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 5.99 -0.99 -2.87 0.00 1.02 -1.13 -4.53 120.64 118.13 3dxj n GLU 382 Ca 0.31 0.51 -0.31 0.00 -0.02 0.00 0.00 57.16 57.64 3dxj n GLU 382 Cb 0.13 -2.98 -0.04 0.00 -0.02 0.00 0.00 31.44 28.52 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 -3.28 2.09 0.02 0.62 0.00 -0.78 -4.14 107.32 101.86 3dxj s GLY 383 Ca 0.27 -0.05 0.03 0.00 0.00 0.00 0.00 44.72 44.97 3dxj s GLY 383 CO 0.91 0.16 -0.11 0.14 0.00 0.00 0.00 173.10 174.20 3dxj s VAL 384 N -2.29 0.82 -0.06 1.40 1.01 -1.19 -1.78 120.40 118.32 3dxj s VAL 384 Ca 0.54 -0.74 -0.11 0.00 0.00 0.00 0.00 61.98 61.66 3dxj s VAL 384 Cb -0.10 -0.75 -0.05 0.00 0.00 0.00 0.00 36.38 35.48 3dxj s VAL 384 CO 0.26 0.02 0.29 -0.69 0.00 0.00 0.00 175.10 174.98 3dxj s VAL 385 N -0.66 5.25 -0.30 2.92 1.01 -1.15 -3.19 120.40 124.27 3dxj s VAL 385 Ca 0.00 0.55 0.06 0.00 0.00 0.00 0.00 61.98 62.59 3dxj s VAL 385 Cb -0.06 -3.58 0.19 0.00 0.00 0.00 0.00 36.38 32.93 3dxj s VAL 385 CO 0.00 0.58 0.56 -1.00 0.00 0.00 0.00 175.10 175.24 3dxj s HIS 386 N -0.92 -1.69 0.31 5.22 3.76 -1.07 -3.07 115.29 117.83 3dxj s HIS 386 Ca 0.19 0.85 -0.23 0.00 -0.15 0.00 0.00 55.06 55.73 3dxj s HIS 386 Cb -0.14 0.23 -0.09 0.00 1.11 0.00 0.00 32.58 33.68 3dxj s HIS 386 CO 0.09 -1.08 0.86 -0.51 -0.85 0.00 0.00 174.74 173.25 3dxj s LEU 387 N 2.66 4.27 0.00 0.89 1.02 -1.26 0.29 118.68 126.54 3dxj s LEU 387 Ca 0.11 1.65 0.00 0.00 0.02 0.00 0.00 54.13 55.91 3dxj s LEU 387 Cb -0.10 -3.96 0.00 0.00 0.02 0.00 0.00 46.19 42.15 3dxj s LEU 387 CO -0.24 -0.09 0.00 1.41 0.02 0.00 0.00 176.35 177.45 3dxj n HIS 388 N 0.38 0.00 -3.57 0.29 8.25 0.34 -4.87 115.22 116.05 3dxj n HIS 388 Ca 0.01 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.20 3dxj n HIS 388 Cb 0.51 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.52 3dxj n HIS 388 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3dxj n GLU 389 N -0.66 1.02 -2.45 -0.41 1.02 -1.24 -4.46 120.64 113.45 3dxj n GLU 389 Ca 0.00 -3.78 -0.33 0.00 -0.02 0.00 0.00 57.16 53.03 3dxj n GLU 389 Cb 0.00 -1.91 -0.03 0.00 -0.02 0.00 0.00 31.44 29.48 3dxj n GLU 389 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 3dxj s PRO 390 N -0.81 3.81 0.14 3.49 0.02 -1.20 -0.58 135.00 139.86 3dxj s PRO 390 Ca 0.31 1.19 0.12 0.00 0.02 0.00 0.00 61.00 62.63 3dxj s PRO 390 Cb 0.03 -2.11 -0.11 0.00 0.02 0.00 0.00 34.50 32.33 3dxj s PRO 390 CO -0.17 -0.40 1.17 0.00 -0.33 0.00 0.00 177.00 177.27 3dxj h ALA 391 N 1.24 0.56 -1.65 -1.55 0.00 0.40 -3.39 119.26 114.87 3dxj h ALA 391 Ca -0.48 -0.83 0.04 0.00 0.00 0.00 0.00 54.91 53.63 3dxj h ALA 391 Cb 1.20 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 3dxj h ALA 391 CO 0.60 1.04 0.12 0.43 0.00 0.00 0.00 179.25 181.44 3dxj n SER 392 N -3.19 -0.30 -3.80 0.00 7.64 -1.25 -0.19 113.62 112.52 3dxj n SER 392 Ca -0.03 -1.14 -0.11 0.00 1.01 0.00 0.00 58.87 58.60 3dxj n SER 392 Cb 0.87 0.48 -0.08 0.00 -1.01 0.00 0.00 64.21 64.47 3dxj n SER 392 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3dxj s ILE 393 N -2.39 0.09 0.00 0.44 1.01 -1.01 -3.94 121.20 115.41 3dxj s ILE 393 Ca 0.05 -0.78 0.08 0.00 0.00 0.00 0.00 60.65 60.00 3dxj s ILE 393 Cb -0.00 -0.91 -0.02 0.00 0.01 0.00 0.00 42.46 41.53 3dxj s ILE 393 CO 0.01 -0.43 -0.25 -0.22 0.00 0.00 0.00 174.94 174.05 3dxj s LEU 394 N -2.05 2.15 -0.11 2.97 2.96 -0.70 -1.90 118.68 122.00 3dxj s LEU 394 Ca -0.05 -0.49 0.03 0.00 -0.22 0.00 0.00 54.13 53.40 3dxj s LEU 394 Cb -0.01 -1.34 0.01 0.00 0.50 0.00 0.00 46.19 45.34 3dxj s LEU 394 CO -0.03 0.30 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.39 3dxj s VAL 395 N -0.69 1.94 -0.09 1.68 1.01 0.44 -0.93 120.40 123.76 3dxj s VAL 395 Ca 0.11 -0.93 -0.10 0.00 0.00 0.00 0.00 61.98 61.06 3dxj s VAL 395 Cb -0.10 -1.70 0.02 0.00 0.00 0.00 0.00 36.38 34.60 3dxj s VAL 395 CO 0.00 0.53 0.27 0.54 0.00 0.00 0.00 175.10 176.45 3dxj s VAL 396 N 0.62 0.01 -0.57 2.92 0.11 -1.03 -0.61 120.40 121.85 3dxj s VAL 396 Ca -0.13 -0.10 -0.28 0.00 -2.93 0.00 0.00 61.98 58.55 3dxj s VAL 396 Cb -0.17 -0.42 0.02 0.00 -1.53 0.00 0.00 36.38 34.28 3dxj s VAL 396 CO 0.03 -0.05 1.38 -0.75 -3.33 0.00 0.00 175.10 172.38 3dxj s LYS 397 N -0.12 3.32 0.00 1.54 2.47 0.15 -1.55 119.74 125.56 3dxj s LYS 397 Ca -0.03 0.40 0.00 0.00 -1.56 0.00 0.00 55.97 54.79 3dxj s LYS 397 Cb -0.03 -4.11 0.00 0.00 -1.46 0.00 0.00 37.83 32.23 3dxj s LYS 397 CO 0.01 -1.91 0.00 0.00 0.16 0.00 0.00 175.35 173.61 3dxj n ALA 398 N 9.42 0.00 -3.56 3.13 0.00 -1.26 -3.55 120.51 124.69 3dxj n ALA 398 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.26 3dxj n ALA 398 Cb 0.49 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.79 3dxj n ALA 398 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3dxj s ARG 399 N -0.24 0.27 0.13 0.00 1.81 -1.25 -4.92 118.95 114.75 3dxj s ARG 399 Ca 0.00 -0.63 -0.31 0.00 -1.72 0.00 0.00 55.73 53.07 3dxj s ARG 399 Cb 0.00 -1.26 -0.10 0.00 -0.45 0.00 0.00 34.95 33.13 3dxj s ARG 399 CO 0.00 -1.02 1.81 0.54 -0.68 0.00 0.00 175.30 175.94 3dxj s VAL 400 N 2.00 2.52 -0.57 3.52 0.11 -1.26 -3.54 120.40 123.17 3dxj s VAL 400 Ca 0.09 0.07 0.04 0.00 -2.93 0.00 0.00 61.98 59.26 3dxj s VAL 400 Cb -0.16 -3.05 0.16 0.00 -1.53 0.00 0.00 36.38 31.80 3dxj s VAL 400 CO -0.34 0.00 0.40 -0.31 -3.33 0.00 0.00 175.10 171.52 3dxj s TYR 401 N 2.60 2.60 0.12 1.54 1.51 -0.73 -4.91 117.35 120.08 3dxj s TYR 401 Ca 0.80 -2.90 -0.31 0.00 -1.01 0.00 0.00 57.07 53.65 3dxj s TYR 401 Cb -0.46 -2.08 -0.08 0.00 -0.11 0.00 0.00 41.96 39.24 3dxj s TYR 401 CO 0.36 -0.67 1.39 -2.14 -1.11 0.00 0.00 175.55 173.37 3dxj s PRO 402 N -0.69 4.32 0.25 -1.71 0.02 -1.26 -2.77 135.00 133.16 3dxj s PRO 402 Ca 0.26 2.07 0.00 0.00 0.02 0.00 0.00 61.00 63.35 3dxj s PRO 402 Cb -0.06 -3.25 -0.00 0.00 0.02 0.00 0.00 34.50 31.21 3dxj s PRO 402 CO -0.14 -0.43 0.00 1.97 -0.33 0.00 0.00 177.00 178.07 3dxj n PHE 403 N 3.93 0.57 0.00 6.54 1.16 0.23 -4.94 117.46 124.94 3dxj n PHE 403 Ca 0.11 -1.27 0.00 0.00 -1.87 0.00 0.00 57.45 54.43 3dxj n PHE 403 Cb 0.42 -0.16 0.00 0.00 -1.61 0.00 0.00 39.48 38.13 3dxj n PHE 403 CO 0.00 0.00 0.00 0.39 -1.87 0.00 0.00 176.76 175.28 3dxj n GLU 404 N -0.63 0.00 0.00 3.97 1.02 -1.26 -4.57 120.64 119.17 3dxj n GLU 404 Ca -0.10 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.04 3dxj n GLU 404 Cb 0.32 -0.01 0.00 0.00 -0.02 0.00 0.00 31.44 31.73 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 -2.45 0.00 -4.94 1.62 8.00 -1.26 -4.99 116.55 112.53 3dxj n ASP 405 Ca 0.00 0.16 -0.27 0.00 0.71 0.00 0.00 54.79 55.39 3dxj n ASP 405 Cb 0.00 -0.11 -0.03 0.00 -0.02 0.00 0.00 41.12 40.96 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 -1.48 6.36 0.92 -2.24 1.01 -1.26 -4.97 116.67 115.01 3dxj s ASP 406 Ca 0.00 0.29 -0.07 0.00 0.71 0.00 0.00 52.55 53.48 3dxj s ASP 406 Cb 0.00 -1.96 0.10 0.00 1.01 0.00 0.00 42.92 42.07 3dxj s ASP 406 CO 0.00 -0.00 0.23 0.55 0.21 0.00 0.00 175.17 176.16 3dxj n VAL 407 N -0.64 0.00 -2.26 -1.27 3.14 -1.26 -1.29 118.33 114.75 3dxj n VAL 407 Ca -0.06 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.32 3dxj n VAL 407 Cb 0.54 -0.27 0.00 0.00 -1.06 0.00 0.00 33.84 33.05 3dxj n VAL 407 CO 0.00 0.00 0.00 -1.84 -6.46 0.00 0.00 176.83 168.53 3dxj n GLU 408 N -2.25 0.00 -2.69 1.45 0.28 -1.26 -1.45 120.64 114.72 3dxj n GLU 408 Ca 0.04 0.00 -0.29 0.00 -0.16 0.00 0.00 57.16 56.75 3dxj n GLU 408 Cb 0.16 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 33.02 3dxj n GLU 408 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 3dxj s VAL 409 N -2.75 4.86 -0.03 3.84 1.01 -1.24 -5.04 120.40 121.05 3dxj s VAL 409 Ca 0.00 0.38 -0.16 0.00 0.00 0.00 0.00 61.98 62.19 3dxj s VAL 409 Cb 0.00 -3.82 -0.05 0.00 0.00 0.00 0.00 36.38 32.51 3dxj s VAL 409 CO 0.00 -0.74 0.45 -0.94 0.00 0.00 0.00 175.10 173.87 3dxj s SER 410 N -3.76 6.79 0.01 3.32 1.04 -1.26 -4.98 113.70 114.86 3dxj s SER 410 Ca 0.49 0.94 -0.06 0.00 0.48 0.00 0.00 55.95 57.80 3dxj s SER 410 Cb -0.10 -2.27 -0.03 0.00 0.10 0.00 0.00 66.02 63.71 3dxj s SER 410 CO 0.40 0.21 0.16 1.07 0.98 0.00 0.00 173.24 176.06 3dxj n THR 411 N 2.46 0.08 0.00 2.02 5.66 -1.26 -3.02 114.28 120.22 3dxj n THR 411 Ca -0.11 -0.02 0.00 0.00 -3.05 0.00 0.00 64.05 60.87 3dxj n THR 411 Cb 0.52 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.30 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 0.28 0.68 3.80 1.09 0.00 0.83 -4.94 105.19 106.92 3dxj n GLY 412 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.90 6.92 -0.19 1.61 1.01 -1.17 -4.58 116.67 118.38 3dxj s ASP 413 Ca 0.00 1.85 -0.09 0.00 0.71 0.00 0.00 52.55 55.02 3dxj s ASP 413 Cb 0.00 -2.57 -0.05 0.00 1.01 0.00 0.00 42.92 41.32 3dxj s ASP 413 CO 0.00 -0.37 0.11 0.00 0.21 0.00 0.00 175.17 175.12 3dxj s ARG 414 N -2.70 4.06 -0.25 8.23 1.70 -1.26 0.23 118.95 128.95 3dxj s ARG 414 Ca 0.58 -0.26 -0.16 0.00 -0.47 0.00 0.00 55.73 55.43 3dxj s ARG 414 Cb -0.16 -3.33 0.07 0.00 -0.57 0.00 0.00 34.95 30.96 3dxj s ARG 414 CO 0.21 0.33 0.63 0.14 -1.08 0.00 0.00 175.30 175.53 3dxj s VAL 415 N 0.25 -0.00 -0.31 4.99 -7.23 -0.15 -4.99 120.40 112.96 3dxj s VAL 415 Ca 0.07 0.02 -0.12 0.00 -1.81 0.00 0.00 61.98 60.14 3dxj s VAL 415 Cb -0.11 -0.91 0.19 0.00 0.56 0.00 0.00 36.38 36.10 3dxj s VAL 415 CO -0.01 0.01 1.09 0.00 -0.31 0.00 0.00 175.10 175.88 3dxj s ALA 416 N 1.41 -4.47 -0.11 1.32 0.00 -1.24 -3.34 121.76 115.32 3dxj s ALA 416 Ca -0.08 1.38 0.12 0.00 0.00 0.00 0.00 51.96 53.37 3dxj s ALA 416 Cb -0.06 -2.98 -0.24 0.00 0.00 0.00 0.00 23.12 19.85 3dxj s ALA 416 CO -0.16 -2.37 0.42 -0.35 0.00 0.00 0.00 175.76 173.31 3dxj n PRO 417 N 4.20 0.66 0.00 0.00 -0.04 -1.20 -4.83 135.00 133.79 3dxj n PRO 417 Ca 0.07 0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.73 3dxj n PRO 417 Cb 0.62 -1.69 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 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 1.69 0.53 0.03 0.55 0.00 -1.26 -3.18 105.19 103.55 3dxj n GLY 418 Ca -0.24 -1.86 -0.01 0.00 0.00 0.00 0.00 46.02 43.91 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 0.00 -0.06 -4.65 1.61 3.32 -2.00 -3.46 116.42 111.18 3dxj h ASP 419 Ca 0.00 0.00 -0.45 0.00 0.02 0.00 0.00 57.03 56.60 3dxj h ASP 419 Cb 0.00 0.02 -0.14 0.00 0.22 0.00 0.00 39.33 39.43 3dxj h ASP 419 CO 0.00 -0.03 -0.54 0.68 -1.72 0.00 0.00 179.24 177.63 3dxj s VAL 420 N -2.72 0.32 0.16 -1.35 -7.23 -1.26 -4.98 120.40 103.34 3dxj s VAL 420 Ca -0.01 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.16 3dxj s VAL 420 Cb 0.00 -2.48 0.00 0.00 0.56 0.00 0.00 36.38 34.46 3dxj s VAL 420 CO 0.03 0.00 0.00 0.18 -0.31 0.00 0.00 175.10 175.00 3dxj n LEU 421 N -0.65 0.29 0.00 1.32 4.77 0.88 -4.90 117.00 118.71 3dxj n LEU 421 Ca 0.01 0.26 -0.01 0.00 -0.03 0.00 0.00 56.01 56.24 3dxj n LEU 421 Cb 0.64 0.07 -0.00 0.00 -2.33 0.00 0.00 43.42 41.80 3dxj n LEU 421 CO 0.34 -0.71 0.02 0.00 -1.33 0.00 0.00 177.39 175.71 3dxj n ALA 422 N -3.25 -0.05 -3.19 -1.18 0.00 -1.19 -3.68 120.51 107.97 3dxj n ALA 422 Ca 0.00 -0.14 -0.18 0.00 0.00 0.00 0.00 53.44 53.12 3dxj n ALA 422 Cb 0.00 0.11 -0.02 0.00 0.00 0.00 0.00 19.45 19.54 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 -1.95 -2.57 0.00 0.00 8.00 -0.41 0.19 116.55 119.81 3dxj n ASP 423 Ca -0.00 -0.19 0.00 0.00 0.71 0.00 0.00 54.79 55.30 3dxj n ASP 423 Cb 0.05 -2.21 0.00 0.00 -0.02 0.00 0.00 41.12 38.94 3dxj n ASP 423 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dxj n GLY 424 N -0.90 0.80 0.00 0.44 0.00 -1.26 -3.73 105.19 100.54 3dxj n GLY 424 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.06 1.99 0.12 -0.02 0.00 0.13 -4.97 105.19 100.38 3dxj n GLY 425 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 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 0.00 0.07 -5.25 1.61 5.02 -1.06 -4.47 118.16 114.07 3dxj n LYS 426 Ca 0.00 0.50 -0.31 0.00 -2.02 0.00 0.00 58.31 56.48 3dxj n LYS 426 Cb 0.00 -1.98 -0.16 0.00 -0.02 0.00 0.00 35.03 32.87 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 -3.14 2.00 0.11 -0.18 1.01 -1.13 -4.99 120.40 114.08 3dxj s VAL 427 Ca -0.01 -1.06 -0.13 0.00 0.00 0.00 0.00 61.98 60.78 3dxj s VAL 427 Cb 0.03 -1.68 0.02 0.00 0.00 0.00 0.00 36.38 34.75 3dxj s VAL 427 CO 0.09 0.56 0.32 -0.54 0.00 0.00 0.00 175.10 175.53 3dxj s LYS 428 N -0.35 0.99 -0.28 2.72 1.02 -1.26 -0.08 119.74 122.50 3dxj s LYS 428 Ca 0.02 -0.82 -0.00 0.00 0.02 0.00 0.00 55.97 55.19 3dxj s LYS 428 Cb -0.12 0.42 0.14 0.00 -0.52 0.00 0.00 37.83 37.75 3dxj s LYS 428 CO 0.02 -0.36 0.34 0.45 -0.92 0.00 0.00 175.35 174.87 3dxj s SER 429 N -2.83 1.02 0.27 2.83 0.15 -1.19 -5.00 113.70 108.95 3dxj s SER 429 Ca 0.04 -0.46 -0.07 0.00 0.70 0.00 0.00 55.95 56.17 3dxj s SER 429 Cb 0.03 0.79 0.48 0.00 -1.71 0.00 0.00 66.02 65.61 3dxj s SER 429 CO -0.11 -0.36 1.59 -2.24 1.20 0.00 0.00 173.24 173.31 3dxj h ASP 430 N 8.22 -0.68 -3.60 5.45 3.04 -1.94 -3.28 116.42 123.64 3dxj h ASP 430 Ca -0.13 0.26 -0.56 0.00 -3.24 0.00 0.00 57.03 53.36 3dxj h ASP 430 Cb 1.11 0.51 0.17 0.00 -1.04 0.00 0.00 39.33 40.08 3dxj h ASP 430 CO 0.30 -0.29 0.05 0.52 -2.04 0.00 0.00 179.24 177.78 3dxj n VAL 431 N -5.52 3.27 -2.62 4.15 0.31 -1.26 -3.21 118.33 113.45 3dxj n VAL 431 Ca 0.16 -0.45 -0.24 0.00 -0.01 0.00 0.00 64.34 63.80 3dxj n VAL 431 Cb 0.52 -1.08 0.12 0.00 -0.91 0.00 0.00 33.84 32.49 3dxj n VAL 431 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 3dxj s TYR 432 N -1.66 1.26 0.00 3.52 1.51 -1.25 -3.71 117.35 117.02 3dxj s TYR 432 Ca 0.74 -0.39 0.00 0.00 -1.01 0.00 0.00 57.07 56.42 3dxj s TYR 432 Cb -0.38 -2.98 0.00 0.00 -0.11 0.00 0.00 41.96 38.49 3dxj s TYR 432 CO 0.49 -1.86 0.00 0.41 -1.11 0.00 0.00 175.55 173.48 3dxj n GLY 433 N -2.89 1.72 3.92 0.71 0.00 -1.21 -3.19 105.19 104.25 3dxj n GLY 433 Ca 0.17 -2.15 -0.27 0.00 0.00 0.00 0.00 46.02 43.77 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 -1.70 1.99 -0.22 1.61 3.00 0.18 -0.97 118.95 122.84 3dxj s ARG 434 Ca 0.00 -0.14 -0.06 0.00 0.00 0.00 0.00 55.73 55.53 3dxj s ARG 434 Cb 0.00 -2.06 -0.03 0.00 0.00 0.00 0.00 34.95 32.86 3dxj s ARG 434 CO 0.00 -1.46 0.04 0.08 0.00 0.00 0.00 175.30 173.96 3dxj s VAL 435 N -3.42 4.24 -0.08 3.52 1.01 0.63 -2.82 120.40 123.48 3dxj s VAL 435 Ca 0.62 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.39 3dxj s VAL 435 Cb -0.10 -2.94 -0.03 0.00 0.00 0.00 0.00 36.38 33.31 3dxj s VAL 435 CO 0.47 0.40 -0.07 -1.61 0.00 0.00 0.00 175.10 174.29 3dxj s GLU 436 N 1.12 2.90 -0.23 2.72 0.41 -0.20 0.29 118.70 125.72 3dxj s GLU 436 Ca 0.03 -0.55 -0.04 0.00 -0.41 0.00 0.00 54.97 54.01 3dxj s GLU 436 Cb -0.14 -2.64 -0.00 0.00 -1.78 0.00 0.00 34.13 29.57 3dxj s GLU 436 CO 0.02 0.59 -0.05 0.08 -0.49 0.00 0.00 175.26 175.42 3dxj s VAL 437 N -0.60 3.29 0.00 2.63 1.01 -1.26 -3.36 120.40 122.10 3dxj s VAL 437 Ca 0.09 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.49 3dxj s VAL 437 Cb -0.12 -2.52 0.00 0.00 0.00 0.00 0.00 36.38 33.74 3dxj s VAL 437 CO 0.02 0.39 0.00 -0.67 0.00 0.00 0.00 175.10 174.84 3dxj n ASP 438 N 4.78 -0.34 0.00 3.32 2.03 -1.13 -5.00 116.55 120.21 3dxj n ASP 438 Ca -0.18 -0.49 0.00 0.00 0.52 0.00 0.00 54.79 54.64 3dxj n ASP 438 Cb 0.50 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.90 3dxj n ASP 438 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3dxj n LEU 439 N 0.00 0.00 0.00 -2.67 4.77 -1.26 -4.94 117.00 112.90 3dxj n LEU 439 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3dxj n LEU 439 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3dxj n LEU 439 CO 0.00 0.04 -0.44 1.33 -1.33 0.00 0.00 177.39 176.99 3dxj n VAL 440 N 0.00 0.03 0.17 4.08 0.24 -1.26 -4.77 118.33 116.82 3dxj n VAL 440 Ca 0.00 0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 3dxj n VAL 440 Cb 0.06 -1.42 0.15 0.00 -1.47 0.00 0.00 33.84 31.16 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 -2.97 2.42 -1.32 7.34 3.00 -1.26 -4.82 116.66 119.04 3dxj n ARG 441 Ca 0.00 -1.32 0.00 0.00 -0.00 0.00 0.00 57.85 56.53 3dxj n ARG 441 Cb 0.44 -1.76 0.00 0.00 0.00 0.00 0.00 32.46 31.15 3dxj n ARG 441 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 3dxj n ASN 442 N 0.17 -0.24 -4.94 6.15 3.02 -1.26 -4.60 115.26 113.56 3dxj n ASN 442 Ca 0.15 0.12 -0.25 0.00 -0.03 0.00 0.00 54.58 54.57 3dxj n ASN 442 Cb 0.73 -0.60 -0.02 0.00 -0.61 0.00 0.00 39.78 39.27 3dxj n ASN 442 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3dxj s VAL 443 N -1.20 5.20 -0.15 2.41 1.01 -1.26 0.74 120.40 127.16 3dxj s VAL 443 Ca 0.00 -0.56 -0.04 0.00 0.00 0.00 0.00 61.98 61.38 3dxj s VAL 443 Cb 0.00 -3.79 0.05 0.00 0.00 0.00 0.00 36.38 32.64 3dxj s VAL 443 CO 0.00 -0.29 0.07 0.68 0.00 0.00 0.00 175.10 175.56 3dxj s VAL 444 N -1.99 0.06 0.05 2.92 -7.23 -1.12 -2.82 120.40 110.28 3dxj s VAL 444 Ca 0.37 -0.13 -0.30 0.00 -1.81 0.00 0.00 61.98 60.11 3dxj s VAL 444 Cb -0.10 -0.60 -0.05 0.00 0.56 0.00 0.00 36.38 36.19 3dxj s VAL 444 CO 0.31 -0.16 1.16 -0.13 -0.31 0.00 0.00 175.10 175.97 3dxj s ARG 445 N 2.08 4.45 -0.61 4.82 3.00 -1.21 -1.76 118.95 129.71 3dxj s ARG 445 Ca 0.02 1.71 0.06 0.00 0.00 0.00 0.00 55.73 57.52 3dxj s ARG 445 Cb -0.15 -3.37 0.22 0.00 0.00 0.00 0.00 34.95 31.65 3dxj s ARG 445 CO -0.08 -0.22 0.62 0.28 0.00 0.00 0.00 175.30 175.90 3dxj n VAL 446 N 3.91 1.48 -1.59 3.52 0.31 -1.23 -1.03 118.33 123.71 3dxj n VAL 446 Ca 0.08 -4.83 -0.51 0.00 -0.01 0.00 0.00 64.34 59.07 3dxj n VAL 446 Cb 0.47 -2.07 -0.05 0.00 -0.91 0.00 0.00 33.84 31.28 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 1.37 0.27 -2.53 2.52 0.31 -1.13 -3.85 118.33 115.29 3dxj n VAL 447 Ca 0.26 -0.07 -0.42 0.00 -0.01 0.00 0.00 64.34 64.10 3dxj n VAL 447 Cb 0.42 -0.83 -0.03 0.00 -0.91 0.00 0.00 33.84 32.49 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 0.23 4.41 -0.45 5.55 8.01 -1.19 0.48 118.70 135.73 3dxj s GLU 448 Ca 0.81 1.60 0.03 0.00 0.01 0.00 0.00 54.97 57.42 3dxj s GLU 448 Cb -0.92 -3.51 0.23 0.00 -4.31 0.00 0.00 34.13 25.63 3dxj s GLU 448 CO 0.48 -0.34 0.95 0.45 0.01 0.00 0.00 175.26 176.81 3dxj n SER 449 N 4.78 -2.56 -4.55 -0.19 2.88 -1.23 -4.13 113.62 108.61 3dxj n SER 449 Ca 0.10 -2.69 -0.49 0.00 -1.33 0.00 0.00 58.87 54.46 3dxj n SER 449 Cb 0.47 1.48 -0.06 0.00 -0.75 0.00 0.00 64.21 65.36 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 1.99 1.88 -1.48 0.66 9.36 -1.26 -3.63 117.16 124.68 3dxj n TYR 450 Ca 0.10 0.14 -0.43 0.00 3.32 0.00 0.00 57.90 61.03 3dxj n TYR 450 Cb 0.63 -2.60 -0.12 0.00 -0.63 0.00 0.00 39.34 36.62 3dxj n TYR 450 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 3dxj n ASP 451 N 9.18 0.87 -4.90 2.98 9.92 -1.26 -4.89 116.55 128.46 3dxj n ASP 451 Ca 0.34 0.13 -0.21 0.00 -0.53 0.00 0.00 54.79 54.51 3dxj n ASP 451 Cb 0.28 -1.07 -0.03 0.00 -0.64 0.00 0.00 41.12 39.66 3dxj n ASP 451 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 3dxj s ILE 452 N 9.13 3.90 -0.28 0.53 -5.25 -1.26 -4.91 121.20 123.07 3dxj s ILE 452 Ca 1.25 -1.24 0.02 0.00 -0.99 0.00 0.00 60.65 59.69 3dxj s ILE 452 Cb -1.05 -3.32 0.07 0.00 2.95 0.00 0.00 42.46 41.12 3dxj s ILE 452 CO 0.47 -0.20 -0.03 -0.62 -1.79 0.00 0.00 174.94 172.77 3dxj s ASP 453 N -4.03 4.28 -0.10 4.36 2.15 -1.23 -5.03 116.67 117.06 3dxj s ASP 453 Ca 0.41 -1.54 0.01 0.00 0.43 0.00 0.00 52.55 51.86 3dxj s ASP 453 Cb -0.07 -1.37 0.02 0.00 -0.30 0.00 0.00 42.92 41.19 3dxj s ASP 453 CO 0.28 -0.28 -0.13 0.00 -0.17 0.00 0.00 175.17 174.87 3dxj s ALA 454 N 1.20 1.53 0.10 3.66 0.00 -1.26 -0.57 121.76 126.43 3dxj s ALA 454 Ca -0.01 -0.64 0.01 0.00 0.00 0.00 0.00 51.96 51.33 3dxj s ALA 454 Cb -0.19 -0.81 -0.04 0.00 0.00 0.00 0.00 23.12 22.08 3dxj s ALA 454 CO -0.08 -0.13 -0.04 1.03 0.00 0.00 0.00 175.76 176.54 3dxj s ARG 455 N 1.10 0.84 0.02 0.00 0.52 -1.17 -4.75 118.95 115.52 3dxj s ARG 455 Ca -0.05 -1.35 0.00 0.00 -0.52 0.00 0.00 55.73 53.81 3dxj s ARG 455 Cb -0.14 -0.10 -0.00 0.00 0.52 0.00 0.00 34.95 35.23 3dxj s ARG 455 CO -0.02 -0.07 0.01 0.00 0.02 0.00 0.00 175.30 175.23 3dxj n MET 456 N -0.05 1.11 -0.92 3.54 0.00 -1.26 -0.98 117.12 118.57 3dxj n MET 456 Ca -0.11 -0.18 0.12 0.00 0.00 0.00 0.00 57.70 57.53 3dxj n MET 456 Cb 0.61 0.09 -0.03 0.00 0.00 0.00 0.00 33.22 33.89 3dxj n MET 456 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3dxj n GLY 457 N 2.66 -1.35 0.27 3.17 0.00 -1.21 -3.11 105.19 105.63 3dxj n GLY 457 Ca -0.00 -0.89 -0.09 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.03 -0.63 -0.46 4.61 0.00 -1.83 -2.47 119.26 117.46 3dxj h ALA 458 Ca 0.02 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.97 3dxj h ALA 458 Cb 0.84 0.92 -0.07 0.00 0.00 0.00 0.00 17.79 19.48 3dxj h ALA 458 CO 0.01 -0.77 -0.22 -1.91 0.00 0.00 0.00 179.25 176.35 3dxj n GLU 459 N -4.29 -0.15 0.38 0.00 2.13 -1.26 0.11 120.64 117.55 3dxj n GLU 459 Ca -0.03 0.70 -0.16 0.00 0.66 0.00 0.00 57.16 58.34 3dxj n GLU 459 Cb 0.21 -1.04 -0.08 0.00 0.27 0.00 0.00 31.44 30.80 3dxj n GLU 459 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3dxj h ALA 460 N 0.46 -1.23 -0.11 4.31 0.00 -1.39 -3.00 119.26 118.30 3dxj h ALA 460 Ca 0.12 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.85 3dxj h ALA 460 Cb 0.24 0.50 -0.06 0.00 0.00 0.00 0.00 17.79 18.46 3dxj h ALA 460 CO -0.45 -1.18 -0.53 0.82 0.00 0.00 0.00 179.25 177.91 3dxj h ILE 461 N -1.02 0.02 -0.69 0.00 1.08 0.11 -1.69 117.51 115.32 3dxj h ILE 461 Ca -0.09 0.00 0.18 0.00 -0.39 0.00 0.00 64.86 64.56 3dxj h ILE 461 Cb 0.81 0.02 -0.13 0.00 -3.07 0.00 0.00 36.82 34.44 3dxj h ILE 461 CO 0.11 0.00 -0.03 1.67 -0.69 0.00 0.00 178.15 179.22 3dxj n GLN 462 N -5.44 -0.06 0.00 2.37 7.27 0.28 -0.50 117.38 121.30 3dxj n GLN 462 Ca -0.06 1.05 0.00 0.00 0.07 0.00 0.00 57.00 58.06 3dxj n GLN 462 Cb 0.38 -1.64 0.00 0.00 2.41 0.00 0.00 30.24 31.39 3dxj n GLN 462 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 3dxj n GLN 463 N -4.98 0.00 -0.34 3.69 1.13 -0.64 -2.41 117.38 113.83 3dxj n GLN 463 Ca 0.15 0.76 0.02 0.00 -1.94 0.00 0.00 57.00 55.99 3dxj n GLN 463 Cb 0.49 -1.50 0.07 0.00 0.11 0.00 0.00 30.24 29.42 3dxj n GLN 463 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3dxj n LEU 464 N -2.52 -0.49 -0.18 1.08 4.77 0.35 0.12 117.00 120.13 3dxj n LEU 464 Ca 0.00 1.57 -0.04 0.00 -0.03 0.00 0.00 56.01 57.52 3dxj n LEU 464 Cb 0.00 -0.41 0.03 0.00 -2.33 0.00 0.00 43.42 40.71 3dxj n LEU 464 CO 0.00 -1.45 0.69 -0.07 -1.33 0.00 0.00 177.39 175.22 3dxj h LEU 465 N 0.00 -0.86 0.85 2.23 3.38 -1.23 -0.34 115.31 119.35 3dxj h LEU 465 Ca 0.36 0.20 -0.04 0.00 0.09 0.00 0.00 57.88 58.49 3dxj h LEU 465 Cb 0.59 0.46 0.00 0.00 0.09 0.00 0.00 40.66 41.81 3dxj h LEU 465 CO -0.91 -0.26 -0.45 0.11 0.09 0.00 0.00 178.44 177.01 3dxj h LYS 466 N -0.11 -1.16 -5.45 1.13 1.57 0.13 -3.33 116.57 109.36 3dxj h LYS 466 Ca 0.25 0.08 -0.31 0.00 -1.87 0.00 0.00 60.65 58.79 3dxj h LYS 466 Cb 0.50 0.26 -0.04 0.00 0.08 0.00 0.00 32.23 33.04 3dxj h LYS 466 CO -0.62 -0.77 1.01 -1.21 -0.57 0.00 0.00 179.45 177.29 3dxj s GLU 467 N -5.73 2.42 -0.30 3.15 2.02 0.14 -4.77 118.70 115.64 3dxj s GLU 467 Ca -0.18 -1.13 -0.19 0.00 0.02 0.00 0.00 54.97 53.49 3dxj s GLU 467 Cb 0.02 -5.23 0.19 0.00 0.10 0.00 0.00 34.13 29.22 3dxj s GLU 467 CO 0.55 -4.08 1.27 -1.17 0.02 0.00 0.00 175.26 171.86 3dxj s LEU 468 N 11.38 -0.10 -0.32 1.80 2.96 -1.18 -4.61 118.68 128.62 3dxj s LEU 468 Ca 0.69 0.13 -0.14 0.00 -0.22 0.00 0.00 54.13 54.59 3dxj s LEU 468 Cb -0.01 1.11 -0.02 0.00 0.50 0.00 0.00 46.19 47.77 3dxj s LEU 468 CO 0.14 -0.02 0.34 -0.62 -1.32 0.00 0.00 176.35 174.86 3dxj s ASP 469 N 2.09 6.17 -0.05 3.68 -1.08 -1.26 -4.95 116.67 121.27 3dxj s ASP 469 Ca 0.00 -0.09 -0.25 0.00 -0.52 0.00 0.00 52.55 51.69 3dxj s ASP 469 Cb -0.01 -2.19 -0.20 0.00 -1.46 0.00 0.00 42.92 39.07 3dxj s ASP 469 CO -0.16 -0.26 1.07 -0.07 0.52 0.00 0.00 175.17 176.27 3dxj h LEU 470 N 8.66 -0.07 -0.71 -1.34 3.38 -1.98 -1.05 115.31 122.19 3dxj h LEU 470 Ca -0.31 -0.51 0.13 0.00 0.09 0.00 0.00 57.88 57.28 3dxj h LEU 470 Cb 1.15 0.02 -0.13 0.00 0.09 0.00 0.00 40.66 41.80 3dxj h LEU 470 CO 0.66 0.51 -0.23 -0.62 0.09 0.00 0.00 178.44 178.85 3dxj n GLU 471 N -4.85 -0.12 0.00 1.13 -0.58 -1.26 0.29 120.64 115.25 3dxj n GLU 471 Ca -0.08 1.11 0.00 0.00 -0.42 0.00 0.00 57.16 57.76 3dxj n GLU 471 Cb 0.29 -1.65 0.00 0.00 -0.57 0.00 0.00 31.44 29.51 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 -3.68 -0.21 -0.29 0.62 0.00 -1.18 -2.41 120.51 113.38 3dxj n ALA 472 Ca 0.09 0.00 0.27 0.00 0.00 0.00 0.00 53.44 53.81 3dxj n ALA 472 Cb 0.32 0.00 0.50 0.00 0.00 0.00 0.00 19.45 20.27 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 -1.25 0.28 0.00 0.00 7.94 -0.22 -0.34 117.00 123.41 3dxj n LEU 473 Ca 0.00 1.47 0.00 0.00 -1.11 0.00 0.00 56.01 56.37 3dxj n LEU 473 Cb 0.00 -0.70 0.00 0.00 0.53 0.00 0.00 43.42 43.25 3dxj n LEU 473 CO 0.00 -1.64 0.36 1.21 -1.11 0.00 0.00 177.39 176.21 3dxj n GLU 474 N -5.02 0.00 0.10 1.96 2.13 0.85 -0.54 120.64 120.11 3dxj n GLU 474 Ca 0.33 0.39 0.20 0.00 0.66 0.00 0.00 57.16 58.74 3dxj n GLU 474 Cb 1.11 -1.22 0.75 0.00 0.27 0.00 0.00 31.44 32.35 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 0.35 5.31 1.57 -0.79 0.11 116.57 123.11 3dxj h LYS 475 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3dxj h LYS 475 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3dxj h LYS 475 CO 0.00 0.00 -0.17 1.49 -0.57 0.00 0.00 179.45 180.20 3dxj h GLU 476 N 0.00 -0.45 -0.23 3.15 4.81 -0.21 -2.27 114.58 119.38 3dxj h GLU 476 Ca 0.19 0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.35 3dxj h GLU 476 Cb 1.00 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.47 3dxj h GLU 476 CO -0.00 -0.16 -0.30 -0.07 -0.73 0.00 0.00 179.01 177.75 3dxj h LEU 477 N -0.73 0.47 -1.90 1.64 3.38 0.14 0.67 115.31 118.98 3dxj h LEU 477 Ca -0.05 -0.17 0.33 0.00 0.09 0.00 0.00 57.88 58.08 3dxj h LEU 477 Cb 0.50 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.08 3dxj h LEU 477 CO 0.08 0.75 0.88 0.25 0.09 0.00 0.00 178.44 180.49 3dxj h LEU 478 N 0.40 0.00 0.00 1.67 5.85 -0.66 1.97 115.31 124.55 3dxj h LEU 478 Ca 0.05 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3dxj h LEU 478 Cb 0.73 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.76 3dxj h LEU 478 CO 0.06 0.00 0.00 -0.62 -0.34 0.00 0.00 178.44 177.54 3dxj n GLU 479 N -3.99 0.00 0.11 1.25 -0.58 0.19 -3.53 120.64 114.09 3dxj n GLU 479 Ca 0.24 0.21 0.02 0.00 -0.42 0.00 0.00 57.16 57.21 3dxj n GLU 479 Cb 1.25 -0.74 0.10 0.00 -0.57 0.00 0.00 31.44 31.48 3dxj n GLU 479 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 3dxj n GLU 480 N -1.12 0.03 0.00 3.49 2.13 -0.74 -2.74 120.64 121.70 3dxj n GLU 480 Ca 0.00 0.38 0.00 0.00 0.66 0.00 0.00 57.16 58.20 3dxj n GLU 480 Cb 0.00 -2.08 0.00 0.00 0.27 0.00 0.00 31.44 29.63 3dxj n GLU 480 CO 0.00 0.00 0.00 -0.12 -0.41 0.00 0.00 177.13 176.60 3dxj n MET 481 N -1.61 0.00 0.21 5.31 1.56 0.66 -3.94 117.12 119.31 3dxj n MET 481 Ca -0.00 0.00 -0.15 0.00 -0.27 0.00 0.00 57.70 57.28 3dxj n MET 481 Cb 0.49 -0.40 -0.08 0.00 2.15 0.00 0.00 33.22 35.38 3dxj n MET 481 CO 0.00 0.00 0.00 -0.22 -0.73 0.00 0.00 175.97 175.02 3dxj h LYS 482 N 0.00 -0.48 -0.41 2.12 3.64 -1.66 -3.38 116.57 116.41 3dxj h LYS 482 Ca 0.00 0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.45 3dxj h LYS 482 Cb 0.00 0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 31.88 3dxj h LYS 482 CO 0.00 -0.27 -0.26 0.45 -2.27 0.00 0.00 179.45 177.10 3dxj h HIS 483 N -0.58 -0.84 -0.52 1.91 -0.00 -1.76 -3.14 115.15 110.22 3dxj h HIS 483 Ca -0.05 0.06 -0.21 0.00 -0.00 0.00 0.00 60.37 60.16 3dxj h HIS 483 Cb 0.43 0.42 -0.03 0.00 -0.00 0.00 0.00 27.41 28.23 3dxj h HIS 483 CO -0.03 -0.17 0.60 -2.14 -0.00 0.00 0.00 177.93 176.18 3dxj s PRO 484 N -4.13 2.19 0.00 2.45 0.02 -1.25 -4.82 135.00 129.46 3dxj s PRO 484 Ca -0.06 -0.36 0.00 0.00 0.02 0.00 0.00 61.00 60.60 3dxj s PRO 484 Cb 0.05 -5.04 0.00 0.00 0.02 0.00 0.00 34.50 29.53 3dxj s PRO 484 CO 0.28 -3.98 0.00 0.43 -0.33 0.00 0.00 177.00 173.40 3dxj n SER 485 N 15.66 0.00 0.09 2.53 7.64 -1.19 -2.54 113.62 135.81 3dxj n SER 485 Ca 0.43 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.31 3dxj n SER 485 Cb 0.46 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 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 -3.67 0.00 0.00 1.43 5.12 -1.26 -4.81 116.66 113.47 3dxj n ARG 486 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 3dxj n ARG 486 Cb 0.00 -0.20 0.00 0.00 -1.16 0.00 0.00 32.46 31.10 3dxj n ARG 486 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3dxj n ALA 487 N -3.36 0.00 0.28 7.54 0.00 -1.26 -1.03 120.51 122.68 3dxj n ALA 487 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 3dxj n ALA 487 Cb 0.00 0.00 0.81 0.00 0.00 0.00 0.00 19.45 20.26 3dxj n ALA 487 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dxj h ARG 488 N 0.00 0.00 -0.43 0.00 3.08 -1.92 -2.84 114.38 112.28 3dxj h ARG 488 Ca 0.00 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.10 3dxj h ARG 488 Cb 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.01 3dxj h ARG 488 CO 0.00 0.05 0.17 -0.09 -1.07 0.00 0.00 179.97 179.03 3dxj h ARG 489 N 0.00 0.34 0.16 0.04 2.43 -1.21 -0.56 114.38 115.59 3dxj h ARG 489 Ca -0.00 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.16 3dxj h ARG 489 Cb 0.12 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 3dxj h ARG 489 CO 0.01 0.23 -0.22 0.00 -1.51 0.00 0.00 179.97 178.47 3dxj h ALA 490 N 1.27 -0.41 0.06 2.80 0.00 -0.82 -2.97 119.26 119.18 3dxj h ALA 490 Ca 0.20 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.06 3dxj h ALA 490 Cb 0.17 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3dxj h ALA 490 CO -0.18 -0.76 -0.27 -0.22 0.00 0.00 0.00 179.25 177.82 3dxj h LYS 491 N -0.44 -0.36 0.00 0.00 3.64 -1.60 -3.18 116.57 114.63 3dxj h LYS 491 Ca 0.01 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3dxj h LYS 491 Cb 0.43 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 3dxj h LYS 491 CO -0.09 -0.24 0.00 0.00 -2.27 0.00 0.00 179.45 176.85 3dxj n ALA 492 N -2.69 0.00 -0.10 5.00 0.00 -0.24 -0.75 120.51 121.73 3dxj n ALA 492 Ca -0.04 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.41 3dxj n ALA 492 Cb 0.21 0.02 0.03 0.00 0.00 0.00 0.00 19.45 19.70 3dxj n ALA 492 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3dxj n ARG 493 N -0.13 -0.04 0.00 0.00 1.85 -1.14 -0.65 116.66 116.56 3dxj n ARG 493 Ca 0.00 0.43 0.00 0.00 -1.00 0.00 0.00 57.85 57.28 3dxj n ARG 493 Cb 0.00 -0.65 0.00 0.00 -1.05 0.00 0.00 32.46 30.76 3dxj n ARG 493 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 3dxj n LYS 494 N -4.44 0.00 -0.31 2.89 4.76 0.07 -0.28 118.16 120.86 3dxj n LYS 494 Ca 0.04 0.47 0.03 0.00 -2.87 0.00 0.00 58.31 55.98 3dxj n LYS 494 Cb 0.13 -1.28 0.11 0.00 -1.84 0.00 0.00 35.03 32.15 3dxj n LYS 494 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 3dxj h ARG 495 N 0.00 -0.00 -0.94 1.97 2.43 -0.49 0.65 114.38 118.00 3dxj h ARG 495 Ca 0.00 0.00 0.23 0.00 -0.81 0.00 0.00 59.98 59.40 3dxj h ARG 495 Cb 0.00 0.00 -0.13 0.00 -0.42 0.00 0.00 29.97 29.43 3dxj h ARG 495 CO 0.00 -0.00 0.47 1.25 -1.51 0.00 0.00 179.97 180.17 3dxj h LEU 496 N -0.00 0.45 0.01 3.80 5.85 -0.43 -1.93 115.31 123.05 3dxj h LEU 496 Ca 0.41 0.15 0.00 0.00 0.84 0.00 0.00 57.88 59.28 3dxj h LEU 496 Cb 0.63 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 3dxj h LEU 496 CO -0.89 0.02 -0.07 -0.08 -0.34 0.00 0.00 178.44 177.08 3dxj h GLU 497 N 0.45 -0.10 -0.37 1.25 4.57 0.35 -2.01 114.58 118.72 3dxj h GLU 497 Ca 0.60 0.01 0.07 0.00 -1.18 0.00 0.00 59.36 58.85 3dxj h GLU 497 Cb 1.15 0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 29.69 3dxj h GLU 497 CO -0.52 -0.07 -0.11 0.28 -1.18 0.00 0.00 179.01 177.42 3dxj n VAL 498 N -2.89 -0.17 0.02 0.32 0.31 -0.73 0.72 118.33 115.90 3dxj n VAL 498 Ca -0.01 0.86 -0.13 0.00 -0.01 0.00 0.00 64.34 65.05 3dxj n VAL 498 Cb 0.06 -1.18 -0.07 0.00 -0.91 0.00 0.00 33.84 31.74 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 0.11 -0.06 2.52 2.07 -1.31 -2.88 116.25 116.70 3dxj h VAL 499 Ca 0.16 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.69 3dxj h VAL 499 Cb 0.26 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 3dxj h VAL 499 CO -0.38 0.00 -0.06 -0.09 0.02 0.00 0.00 177.57 177.06 3dxj h ARG 500 N -0.54 -0.03 -1.10 1.57 9.65 0.48 0.79 114.38 125.21 3dxj h ARG 500 Ca 0.06 0.00 0.32 0.00 -1.10 0.00 0.00 59.98 59.26 3dxj h ARG 500 Cb 0.65 0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 29.20 3dxj h ARG 500 CO -0.38 -0.02 0.79 0.00 2.80 0.00 0.00 179.97 183.16 3dxj h ALA 501 N -1.09 3.04 -1.70 2.80 0.00 -1.59 3.50 119.26 124.22 3dxj h ALA 501 Ca 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3dxj h ALA 501 Cb 0.06 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3dxj h ALA 501 CO -0.07 -1.35 0.00 1.19 0.00 0.00 0.00 179.25 179.02 3dxj n PHE 502 N -4.20 0.00 -0.31 0.00 0.99 -0.12 1.00 117.46 114.81 3dxj n PHE 502 Ca 0.23 0.00 -0.03 0.00 -0.00 0.00 0.00 57.45 57.65 3dxj n PHE 502 Cb 1.16 -0.22 -0.01 0.00 -1.00 0.00 0.00 39.48 39.42 3dxj n PHE 502 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 3dxj n LEU 503 N -1.15 -0.61 0.00 4.37 4.77 0.26 0.18 117.00 124.81 3dxj n LEU 503 Ca 0.00 1.37 0.00 0.00 -0.03 0.00 0.00 56.01 57.35 3dxj n LEU 503 Cb 0.00 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 3dxj n LEU 503 CO 0.00 -1.19 0.35 -0.67 -1.33 0.00 0.00 177.39 174.55 3dxj n ASP 504 N -5.09 0.00 0.00 -1.43 -0.08 1.15 -2.85 116.55 108.25 3dxj n ASP 504 Ca 0.06 0.71 0.00 0.00 -1.51 0.00 0.00 54.79 54.05 3dxj n ASP 504 Cb 0.28 -0.21 0.00 0.00 2.34 0.00 0.00 41.12 43.53 3dxj n ASP 504 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 3dxj n SER 505 N -1.15 0.00 -3.39 1.67 7.64 0.28 -4.85 113.62 113.81 3dxj n SER 505 Ca 0.00 0.31 -0.13 0.00 1.01 0.00 0.00 58.87 60.05 3dxj n SER 505 Cb 0.00 -0.31 0.01 0.00 -1.01 0.00 0.00 64.21 62.90 3dxj n SER 505 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3dxj n GLY 506 N -1.28 -1.22 0.00 0.23 0.00 0.46 -4.91 105.19 98.47 3dxj n GLY 506 Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.54 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 -2.26 0.00 -3.16 1.61 3.02 -1.22 -5.06 115.26 108.20 3dxj n ASN 507 Ca -0.11 0.00 0.03 0.00 -0.03 0.00 0.00 54.58 54.47 3dxj n ASN 507 Cb 0.58 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.75 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 3.33 0.55 0.29 3.52 0.52 -1.26 -4.96 118.95 120.94 3dxj s ARG 508 Ca 0.00 0.56 0.25 0.00 -0.52 0.00 0.00 55.73 56.01 3dxj s ARG 508 Cb 0.00 0.24 0.91 0.00 0.52 0.00 0.00 34.95 36.63 3dxj s ARG 508 CO 0.00 -1.02 0.86 -0.35 0.02 0.00 0.00 175.30 174.80 3dxj n PRO 509 N 5.42 -0.01 -0.27 3.54 -0.04 -1.26 0.19 135.00 142.57 3dxj n PRO 509 Ca 0.04 0.63 -0.06 0.00 -0.04 0.00 0.00 63.50 64.07 3dxj n PRO 509 Cb 0.54 -1.37 0.05 0.00 -0.04 0.00 0.00 33.50 32.68 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 1.11 -1.07 0.54 3.07 -1.89 -2.05 114.58 114.29 3dxj h GLU 510 Ca 0.51 -0.21 0.35 0.00 -0.50 0.00 0.00 59.36 59.51 3dxj h GLU 510 Cb 1.92 -0.18 -0.14 0.00 -0.84 0.00 0.00 28.75 29.51 3dxj h GLU 510 CO -0.08 0.91 0.64 -1.49 -1.40 0.00 0.00 179.01 177.59 3dxj h TRP 511 N 1.06 0.81 -0.96 4.33 -0.00 0.18 1.60 115.95 122.97 3dxj h TRP 511 Ca 0.24 0.03 0.24 0.00 -0.00 0.00 0.00 58.89 59.40 3dxj h TRP 511 Cb 0.23 -0.21 -0.07 0.00 -0.00 0.00 0.00 29.16 29.11 3dxj h TRP 511 CO 0.02 -0.19 0.64 0.52 -0.00 0.00 0.00 178.44 179.43 3dxj h MET 512 N 0.25 0.34 -6.96 0.49 2.86 -1.51 -3.39 114.93 107.00 3dxj h MET 512 Ca 0.75 -0.02 -0.49 0.00 -2.06 0.00 0.00 59.70 57.88 3dxj h MET 512 Cb 1.90 -0.08 0.02 0.00 0.06 0.00 0.00 31.60 33.51 3dxj h MET 512 CO -0.55 0.22 0.17 -1.50 1.06 0.00 0.00 176.91 176.32 3dxj s ILE 513 N -5.38 4.79 0.23 -1.22 1.10 0.55 -2.60 121.20 118.67 3dxj s ILE 513 Ca -0.08 0.58 0.11 0.00 -0.51 0.00 0.00 60.65 60.74 3dxj s ILE 513 Cb 0.23 -3.79 -0.05 0.00 0.15 0.00 0.00 42.46 39.01 3dxj s ILE 513 CO 0.79 -0.71 -0.16 -0.76 -2.11 0.00 0.00 174.94 171.99 3dxj s LEU 514 N -4.29 2.72 0.00 8.50 1.43 1.44 -4.88 118.68 123.61 3dxj s LEU 514 Ca 0.51 -0.81 0.00 0.00 -1.03 0.00 0.00 54.13 52.80 3dxj s LEU 514 Cb -0.10 -1.35 0.00 0.00 0.03 0.00 0.00 46.19 44.77 3dxj s LEU 514 CO 0.38 0.07 0.00 -1.84 0.23 0.00 0.00 176.35 175.19 3dxj n GLU 515 N -0.23 0.00 -3.75 1.70 0.28 -1.26 0.29 120.64 117.68 3dxj n GLU 515 Ca -0.09 0.00 -0.28 0.00 -0.16 0.00 0.00 57.16 56.63 3dxj n GLU 515 Cb 0.57 0.00 -0.12 0.00 1.43 0.00 0.00 31.44 33.33 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 3.02 -0.19 -1.84 0.00 -1.26 -0.25 121.76 121.24 3dxj s ALA 516 Ca 0.00 -3.36 -0.29 0.00 0.00 0.00 0.00 51.96 48.31 3dxj s ALA 516 Cb 0.00 -1.99 -0.04 0.00 0.00 0.00 0.00 23.12 21.10 3dxj s ALA 516 CO 0.00 -2.06 1.72 0.08 0.00 0.00 0.00 175.76 175.50 3dxj s VAL 517 N -0.89 3.55 0.91 0.00 1.01 0.16 -4.74 120.40 120.40 3dxj s VAL 517 Ca 0.27 0.62 -0.11 0.00 0.00 0.00 0.00 61.98 62.76 3dxj s VAL 517 Cb -0.04 -3.56 0.14 0.00 0.00 0.00 0.00 36.38 32.92 3dxj s VAL 517 CO -0.16 -0.23 1.09 -2.84 0.00 0.00 0.00 175.10 172.96 3dxj s PRO 518 N 4.83 1.09 -0.08 2.72 0.02 -1.26 0.21 135.00 142.53 3dxj s PRO 518 Ca 0.76 0.96 -0.03 0.00 0.02 0.00 0.00 61.00 62.71 3dxj s PRO 518 Cb -0.28 -1.78 0.04 0.00 0.02 0.00 0.00 34.50 32.51 3dxj s PRO 518 CO 0.31 -2.39 0.13 0.08 -0.33 0.00 0.00 177.00 174.79 3dxj s VAL 519 N -2.84 -0.20 0.50 3.83 1.01 0.71 -4.71 120.40 118.69 3dxj s VAL 519 Ca 0.64 0.33 -0.23 0.00 0.00 0.00 0.00 61.98 62.72 3dxj s VAL 519 Cb -0.19 -0.28 -0.07 0.00 0.00 0.00 0.00 36.38 35.83 3dxj s VAL 519 CO 0.58 0.12 1.25 -0.11 0.00 0.00 0.00 175.10 176.93 3dxj n LEU 520 N 5.31 4.51 -4.67 3.92 7.94 -1.26 -2.50 117.00 130.25 3dxj n LEU 520 Ca -0.04 1.01 -0.43 0.00 -1.11 0.00 0.00 56.01 55.43 3dxj n LEU 520 Cb 0.50 -1.51 -0.01 0.00 0.53 0.00 0.00 43.42 42.93 3dxj n LEU 520 CO 0.05 -0.83 0.86 -2.65 -1.11 0.00 0.00 177.39 173.71 3dxj n PRO 521 N -0.52 1.96 -0.31 1.96 -0.02 -1.23 -4.83 135.00 132.02 3dxj n PRO 521 Ca 0.09 0.69 0.03 0.00 -2.02 0.00 0.00 63.50 62.29 3dxj n PRO 521 Cb 0.43 -2.24 0.22 0.00 -0.02 0.00 0.00 33.50 31.89 3dxj n PRO 521 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3dxj h PRO 522 N 2.72 1.04 0.00 0.52 0.11 -1.79 0.33 132.00 134.92 3dxj h PRO 522 Ca -0.45 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3dxj h PRO 522 Cb 1.29 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3dxj h PRO 522 CO 0.64 0.69 0.00 -0.25 -0.21 0.00 0.00 178.00 178.87 3dxj n ASP 523 N -4.48 0.00 -0.00 -2.05 8.00 -0.77 -1.16 116.55 116.10 3dxj n ASP 523 Ca 0.13 -0.77 0.05 0.00 0.71 0.00 0.00 54.79 54.91 3dxj n ASP 523 Cb 0.17 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.21 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 -0.86 0.41 -2.81 0.64 4.77 0.09 -4.48 117.00 114.75 3dxj n LEU 524 Ca 0.11 -0.43 -0.12 0.00 -0.03 0.00 0.00 56.01 55.53 3dxj n LEU 524 Cb 0.05 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.15 3dxj n LEU 524 CO 0.08 0.10 -0.14 -2.11 -1.33 0.00 0.00 177.39 173.99 3dxj n ARG 525 N -1.32 1.16 -0.80 3.23 1.85 -0.62 -5.01 116.66 115.14 3dxj n ARG 525 Ca 0.01 -3.33 -0.30 0.00 -1.00 0.00 0.00 57.85 53.24 3dxj n ARG 525 Cb 0.17 -1.41 0.03 0.00 -1.05 0.00 0.00 32.46 30.20 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 0.03 0.00 -3.48 2.89 -0.02 -0.31 -4.52 135.00 129.59 3dxj n PRO 526 Ca 0.14 0.00 -0.26 0.00 -2.02 0.00 0.00 63.50 61.37 3dxj n PRO 526 Cb 0.77 -0.80 -0.13 0.00 -0.02 0.00 0.00 33.50 33.32 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 -1.59 0.35 0.02 -0.52 1.75 -1.26 -4.09 119.30 113.96 3dxj s MET 527 Ca 0.30 -0.71 0.06 0.00 -1.25 0.00 0.00 55.69 54.09 3dxj s MET 527 Cb -0.01 -1.07 -0.02 0.00 2.84 0.00 0.00 34.83 36.57 3dxj s MET 527 CO 0.58 -1.09 -0.19 0.08 -0.65 0.00 0.00 175.02 173.75 3dxj s VAL 528 N 1.80 1.53 -0.09 10.11 1.01 -1.17 -5.01 120.40 128.58 3dxj s VAL 528 Ca 0.12 -1.02 -0.10 0.00 0.00 0.00 0.00 61.98 60.98 3dxj s VAL 528 Cb -0.18 -1.31 -0.05 0.00 0.00 0.00 0.00 36.38 34.84 3dxj s VAL 528 CO -0.23 0.27 0.24 -1.58 0.00 0.00 0.00 175.10 173.80 3dxj s GLN 529 N -0.89 3.72 0.00 2.72 0.74 -1.26 -1.43 119.66 123.26 3dxj s GLN 529 Ca 0.07 0.07 0.00 0.00 0.05 0.00 0.00 55.36 55.55 3dxj s GLN 529 Cb -0.08 -3.23 0.00 0.00 1.10 0.00 0.00 33.01 30.80 3dxj s GLN 529 CO 0.01 0.67 0.00 1.33 -0.55 0.00 0.00 175.29 176.75 3dxj n VAL 530 N 2.16 0.00 -1.45 1.34 0.24 0.23 -4.94 118.33 115.90 3dxj n VAL 530 Ca -0.17 0.00 -0.50 0.00 -2.04 0.00 0.00 64.34 61.63 3dxj n VAL 530 Cb 0.54 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.87 3dxj n VAL 530 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 3dxj n ASP 531 N 0.00 -0.51 -4.51 -1.34 -0.08 -1.19 -4.30 116.55 104.62 3dxj n ASP 531 Ca 0.00 1.14 -0.22 0.00 -1.51 0.00 0.00 54.79 54.20 3dxj n ASP 531 Cb 0.00 -1.00 -0.19 0.00 2.34 0.00 0.00 41.12 42.27 3dxj n ASP 531 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3dxj n GLY 532 N 1.83 -0.41 0.00 0.27 0.00 -1.26 0.85 105.19 106.46 3dxj n GLY 532 Ca 0.17 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.35 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 5.85 0.69 3.18 -0.02 0.00 -1.26 -5.09 105.19 108.54 3dxj n GLY 533 Ca 0.63 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.43 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 -0.74 1.06 0.40 1.61 3.52 0.25 -5.01 118.95 120.04 3dxj s ARG 534 Ca 0.00 -0.85 0.07 0.00 -0.13 0.00 0.00 55.73 54.82 3dxj s ARG 534 Cb 0.00 -1.11 -0.08 0.00 -1.56 0.00 0.00 34.95 32.20 3dxj s ARG 534 CO 0.00 0.27 0.01 -0.06 -0.81 0.00 0.00 175.30 174.71 3dxj s PHE 535 N -0.89 2.47 0.05 5.12 0.40 -1.26 0.76 117.98 124.63 3dxj s PHE 535 Ca 0.03 -0.68 -0.02 0.00 -0.60 0.00 0.00 56.93 55.66 3dxj s PHE 535 Cb -0.08 -1.72 -0.03 0.00 0.51 0.00 0.00 43.02 41.70 3dxj s PHE 535 CO 0.02 0.42 0.01 0.00 0.70 0.00 0.00 175.22 176.36 3dxj s ALA 536 N -2.75 0.32 0.28 5.36 0.00 -0.51 -4.93 121.76 119.53 3dxj s ALA 536 Ca 0.35 -1.00 -0.20 0.00 0.00 0.00 0.00 51.96 51.11 3dxj s ALA 536 Cb 0.10 0.27 0.04 0.00 0.00 0.00 0.00 23.12 23.53 3dxj s ALA 536 CO 0.18 -0.35 0.80 0.95 0.00 0.00 0.00 175.76 177.34 3dxj s THR 537 N -3.44 0.00 -0.03 0.00 -4.23 -1.26 -3.05 115.64 103.63 3dxj s THR 537 Ca 0.02 -0.91 -0.30 0.00 -1.18 0.00 0.00 61.69 59.32 3dxj s THR 537 Cb 0.04 -2.32 -0.03 0.00 1.34 0.00 0.00 72.50 71.53 3dxj s THR 537 CO -0.08 0.00 1.10 -0.55 -0.54 0.00 0.00 174.62 174.55 3dxj s SER 538 N -3.00 7.18 0.44 3.99 0.15 -1.26 -4.91 113.70 116.28 3dxj s SER 538 Ca 0.13 1.76 0.25 0.00 0.70 0.00 0.00 55.95 58.79 3dxj s SER 538 Cb -0.05 -2.56 1.28 0.00 -1.71 0.00 0.00 66.02 62.98 3dxj s SER 538 CO 0.07 -0.45 1.73 0.44 1.20 0.00 0.00 173.24 176.23 3dxj h ASP 539 N 7.08 0.31 -0.43 5.45 3.32 -1.98 -2.02 116.42 128.15 3dxj h ASP 539 Ca -0.37 0.08 0.04 0.00 0.02 0.00 0.00 57.03 56.81 3dxj h ASP 539 Cb 1.18 0.04 -0.05 0.00 0.22 0.00 0.00 39.33 40.72 3dxj h ASP 539 CO 0.83 -0.01 -0.26 0.18 -1.72 0.00 0.00 179.24 178.27 3dxj n LEU 540 N -4.56 -0.46 -0.38 1.55 4.77 -1.26 0.11 117.00 116.76 3dxj n LEU 540 Ca 0.29 0.86 -0.06 0.00 -0.03 0.00 0.00 56.01 57.07 3dxj n LEU 540 Cb 1.12 -0.14 -0.03 0.00 -2.33 0.00 0.00 43.42 42.03 3dxj n LEU 540 CO 0.27 -0.67 0.50 0.59 -1.33 0.00 0.00 177.39 176.75 3dxj n ASN 541 N -4.30 -0.83 0.10 -1.43 3.02 -0.76 0.88 115.26 111.94 3dxj n ASN 541 Ca 0.01 1.67 0.05 0.00 -0.03 0.00 0.00 54.58 56.29 3dxj n ASN 541 Cb 0.11 -0.29 0.50 0.00 -0.61 0.00 0.00 39.78 39.49 3dxj n ASN 541 CO 0.00 0.00 0.00 -0.78 -2.62 0.00 0.00 177.26 173.86 3dxj h ASP 542 N 0.00 0.28 0.55 6.41 3.58 0.57 0.63 116.42 128.45 3dxj h ASP 542 Ca 0.23 -0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.65 3dxj h ASP 542 Cb 0.47 -0.07 0.01 0.00 1.72 0.00 0.00 39.33 41.45 3dxj h ASP 542 CO -0.92 0.22 -0.27 -0.07 -2.88 0.00 0.00 179.24 175.32 3dxj h LEU 543 N 0.33 -0.63 -0.03 2.28 3.38 0.12 -2.11 115.31 118.65 3dxj h LEU 543 Ca 0.09 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3dxj h LEU 543 Cb -0.02 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3dxj h LEU 543 CO -0.02 -0.34 -0.08 1.88 0.09 0.00 0.00 178.44 179.97 3dxj h TYR 544 N -0.90 -0.24 0.00 1.13 0.05 0.75 0.27 116.97 118.04 3dxj h TYR 544 Ca -0.08 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.71 3dxj h TYR 544 Cb 0.63 0.11 0.00 0.00 1.01 0.00 0.00 36.73 38.47 3dxj h TYR 544 CO -0.01 -0.08 0.00 0.54 -1.05 0.00 0.00 178.16 177.57 3dxj n ARG 545 N -3.00 0.00 -0.29 4.88 1.74 0.21 0.16 116.66 120.36 3dxj n ARG 545 Ca -0.01 0.26 0.16 0.00 -0.77 0.00 0.00 57.85 57.49 3dxj n ARG 545 Cb 0.05 -0.52 0.30 0.00 -1.02 0.00 0.00 32.46 31.28 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 -0.75 -0.06 0.00 5.56 1.85 -0.80 -0.30 116.66 122.17 3dxj n ARG 546 Ca 0.00 1.24 0.00 0.00 -1.00 0.00 0.00 57.85 58.09 3dxj n ARG 546 Cb 0.00 -2.03 0.00 0.00 -1.05 0.00 0.00 32.46 29.38 3dxj n ARG 546 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 3dxj n LEU 547 N -5.15 0.00 -0.16 2.89 7.94 0.43 -2.81 117.00 120.14 3dxj n LEU 547 Ca 0.23 0.97 -0.04 0.00 -1.11 0.00 0.00 56.01 56.05 3dxj n LEU 547 Cb 0.75 -0.47 -0.04 0.00 0.53 0.00 0.00 43.42 44.18 3dxj n LEU 547 CO -0.05 -0.47 0.41 -0.38 -1.11 0.00 0.00 177.39 175.79 3dxj n ILE 548 N -2.32 -0.27 0.00 1.96 5.41 0.59 -1.65 119.36 123.09 3dxj n ILE 548 Ca 0.00 1.60 0.00 0.00 1.00 0.00 0.00 62.75 65.35 3dxj n ILE 548 Cb 0.00 -2.04 0.00 0.00 -0.71 0.00 0.00 39.64 36.89 3dxj n ILE 548 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 3dxj n ASN 549 N -3.88 0.00 -0.15 4.38 5.03 -0.80 0.24 115.26 120.09 3dxj n ASN 549 Ca 0.01 0.24 -0.10 0.00 0.87 0.00 0.00 54.58 55.60 3dxj n ASN 549 Cb 0.10 -0.10 -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 -0.22 -0.69 3.52 3.08 -1.14 0.11 114.38 119.03 3dxj h ARG 550 Ca 0.00 0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.13 3dxj h ARG 550 Cb 0.00 0.05 -0.08 0.00 0.08 0.00 0.00 29.97 30.02 3dxj h ARG 550 CO 0.00 -0.15 -0.41 -1.71 -1.07 0.00 0.00 179.97 176.64 3dxj n ASN 551 N -4.67 -0.73 0.09 7.04 5.15 0.14 0.24 115.26 122.51 3dxj n ASN 551 Ca -0.02 1.48 -0.11 0.00 -0.60 0.00 0.00 54.58 55.33 3dxj n ASN 551 Cb 0.24 -0.29 -0.07 0.00 -0.53 0.00 0.00 39.78 39.14 3dxj n ASN 551 CO 0.00 0.00 0.00 0.78 1.40 0.00 0.00 177.26 179.44 3dxj h ASN 552 N 0.00 -1.03 -0.85 1.20 2.35 -0.63 0.44 115.58 117.06 3dxj h ASN 552 Ca 0.11 0.11 0.11 0.00 -0.55 0.00 0.00 56.30 56.07 3dxj h ASN 552 Cb 0.28 0.38 -0.13 0.00 0.05 0.00 0.00 38.32 38.90 3dxj h ASN 552 CO -0.65 -0.38 -0.49 -0.09 -1.65 0.00 0.00 177.43 174.18 3dxj h ARG 553 N -0.52 -0.08 0.00 0.81 2.43 0.45 0.18 114.38 117.65 3dxj h ARG 553 Ca -0.01 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3dxj h ARG 553 Cb 0.51 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 3dxj h ARG 553 CO -0.17 -0.05 0.00 -0.11 -1.51 0.00 0.00 179.97 178.12 3dxj n LEU 554 N -5.36 0.00 -0.16 3.80 7.94 0.66 -0.18 117.00 123.70 3dxj n LEU 554 Ca 0.04 0.85 -0.04 0.00 -1.11 0.00 0.00 56.01 55.75 3dxj n LEU 554 Cb 0.33 -0.35 -0.04 0.00 0.53 0.00 0.00 43.42 43.89 3dxj n LEU 554 CO -0.10 -0.35 0.20 0.29 -1.11 0.00 0.00 177.39 176.31 3dxj n LYS 555 N -2.38 -0.16 -0.33 1.96 5.02 0.15 -0.01 118.16 122.39 3dxj n LYS 555 Ca 0.00 0.60 -0.10 0.00 -2.02 0.00 0.00 58.31 56.79 3dxj n LYS 555 Cb 0.00 -0.88 -0.09 0.00 -0.02 0.00 0.00 35.03 34.04 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 -0.05 -0.66 1.97 1.57 0.13 0.23 116.57 119.76 3dxj h LYS 556 Ca 0.06 0.00 0.19 0.00 -1.87 0.00 0.00 60.65 59.03 3dxj h LYS 556 Cb 0.15 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 3dxj h LYS 556 CO -0.35 -0.03 0.47 -0.07 -0.57 0.00 0.00 179.45 178.90 3dxj h LEU 557 N -0.05 0.00 0.15 2.94 3.38 0.35 0.56 115.31 122.63 3dxj h LEU 557 Ca 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 3dxj h LEU 557 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3dxj h LEU 557 CO -0.78 0.00 -0.07 -0.07 0.09 0.00 0.00 178.44 177.61 3dxj h LEU 558 N 0.00 -0.17 -1.23 1.67 3.38 -0.29 0.14 115.31 118.81 3dxj h LEU 558 Ca 0.31 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3dxj h LEU 558 Cb 1.26 0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.05 3dxj h LEU 558 CO -0.00 0.41 0.30 0.00 0.09 0.00 0.00 178.44 179.24 3dxj h ALA 559 N -0.36 1.24 -0.00 1.53 0.00 0.19 2.17 119.26 124.03 3dxj h ALA 559 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3dxj h ALA 559 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3dxj h ALA 559 CO 0.03 -0.24 -0.85 0.94 0.00 0.00 0.00 179.25 179.13 3dxj n GLN 560 N -2.33 0.11 -3.69 0.00 -0.06 0.17 -4.97 117.38 106.62 3dxj n GLN 560 Ca -0.01 -0.09 -0.24 0.00 -2.00 0.00 0.00 57.00 54.66 3dxj n GLN 560 Cb 0.33 -1.50 0.05 0.00 -4.06 0.00 0.00 30.24 25.07 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 1.49 -0.44 3.80 1.69 0.00 0.73 -4.95 105.19 107.51 3dxj n GLY 561 Ca 0.05 0.18 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.41 2.16 -0.03 4.61 0.00 0.33 -4.95 121.76 120.47 3dxj s ALA 562 Ca 0.36 -0.23 -0.29 0.00 0.00 0.00 0.00 51.96 51.80 3dxj s ALA 562 Cb -0.17 -3.10 -0.08 0.00 0.00 0.00 0.00 23.12 19.77 3dxj s ALA 562 CO 0.78 -1.82 2.02 -2.14 0.00 0.00 0.00 175.76 174.60 3dxj s PRO 563 N -5.16 3.88 0.20 0.00 0.02 -1.26 -4.84 135.00 127.84 3dxj s PRO 563 Ca 0.61 2.44 0.04 0.00 0.02 0.00 0.00 61.00 64.11 3dxj s PRO 563 Cb -0.15 -4.21 0.56 0.00 0.02 0.00 0.00 34.50 30.72 3dxj s PRO 563 CO 0.54 -1.25 0.97 -1.91 -0.33 0.00 0.00 177.00 175.02 3dxj n GLU 564 N 7.84 -0.05 0.00 5.54 0.00 -1.26 -1.86 120.64 130.85 3dxj n GLU 564 Ca 0.22 0.91 0.00 0.00 0.00 0.00 0.00 57.16 58.29 3dxj n GLU 564 Cb 0.42 -1.49 0.00 0.00 0.00 0.00 0.00 31.44 30.37 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 -4.70 0.00 -0.04 6.31 3.06 -1.26 0.34 119.36 123.07 3dxj n ILE 565 Ca 0.17 1.26 0.17 0.00 -2.50 0.00 0.00 62.75 61.84 3dxj n ILE 565 Cb 0.55 -1.81 0.60 0.00 0.54 0.00 0.00 39.64 39.53 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 0.79 0.67 9.51 3.07 -1.77 1.61 117.51 131.40 3dxj h ILE 566 Ca 0.00 -0.06 -0.03 0.00 1.55 0.00 0.00 64.86 66.31 3dxj h ILE 566 Cb 0.00 0.60 0.01 0.00 -0.27 0.00 0.00 36.82 37.15 3dxj h ILE 566 CO 0.00 0.03 -0.32 0.40 -1.05 0.00 0.00 178.15 177.21 3dxj h ILE 567 N 0.18 0.00 -0.38 0.16 1.08 0.20 0.51 117.51 119.26 3dxj h ILE 567 Ca 0.27 -0.10 0.05 0.00 -0.39 0.00 0.00 64.86 64.70 3dxj h ILE 567 Cb 0.83 0.00 -0.08 0.00 -3.07 0.00 0.00 36.82 34.50 3dxj h ILE 567 CO -0.05 0.00 -0.53 -0.09 -0.69 0.00 0.00 178.15 176.79 3dxj h ARG 568 N -1.00 -0.39 -0.79 2.37 9.65 0.73 0.55 114.38 125.50 3dxj h ARG 568 Ca -0.09 0.03 0.23 0.00 -1.10 0.00 0.00 59.98 59.05 3dxj h ARG 568 Cb 0.69 0.09 -0.15 0.00 -1.39 0.00 0.00 29.97 29.21 3dxj h ARG 568 CO 0.15 -0.26 0.08 -1.71 2.80 0.00 0.00 179.97 181.03 3dxj n ASN 569 N -5.39 -0.04 0.26 -3.80 5.15 0.54 -0.21 115.26 111.77 3dxj n ASN 569 Ca -0.03 1.34 -0.13 0.00 -0.60 0.00 0.00 54.58 55.15 3dxj n ASN 569 Cb 0.35 -0.51 -0.07 0.00 -0.53 0.00 0.00 39.78 39.02 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 -0.66 -0.90 1.20 4.57 0.52 -2.88 114.58 116.43 3dxj h GLU 570 Ca 0.51 0.04 0.24 0.00 -1.18 0.00 0.00 59.36 58.97 3dxj h GLU 570 Cb 1.10 0.15 -0.14 0.00 -0.16 0.00 0.00 28.75 29.71 3dxj h GLU 570 CO -0.72 -0.36 0.34 0.87 -1.18 0.00 0.00 179.01 177.96 3dxj h LYS 571 N -1.03 0.29 -0.13 1.92 1.57 0.70 0.13 116.57 120.02 3dxj h LYS 571 Ca -0.07 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.71 3dxj h LYS 571 Cb 0.61 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.82 3dxj h LYS 571 CO 0.11 0.19 -0.21 -0.09 -0.57 0.00 0.00 179.45 178.88 3dxj h ARG 572 N 0.30 -0.16 -0.35 3.15 2.43 -0.56 0.56 114.38 119.74 3dxj h ARG 572 Ca 0.58 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.80 3dxj h ARG 572 Cb 1.17 0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 30.68 3dxj h ARG 572 CO -0.60 -0.11 -0.48 0.52 -1.51 0.00 0.00 179.97 177.79 3dxj h MET 573 N -0.17 -0.33 0.00 0.20 2.86 -0.63 -0.58 114.93 116.28 3dxj h MET 573 Ca 0.02 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 3dxj h MET 573 Cb 0.23 0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.97 3dxj h MET 573 CO -0.21 -0.22 0.00 -0.11 1.06 0.00 0.00 176.91 177.43 3dxj n LEU 574 N -5.00 0.00 -0.05 1.22 7.94 0.08 0.65 117.00 121.84 3dxj n LEU 574 Ca -0.03 0.66 -0.01 0.00 -1.11 0.00 0.00 56.01 55.52 3dxj n LEU 574 Cb 0.29 -0.31 -0.01 0.00 0.53 0.00 0.00 43.42 43.92 3dxj n LEU 574 CO 0.01 -0.31 0.44 1.67 -1.11 0.00 0.00 177.39 178.08 3dxj n GLN 575 N -2.51 -0.05 -0.33 1.96 -0.06 0.19 0.58 117.38 117.15 3dxj n GLN 575 Ca 0.00 0.94 0.09 0.00 -2.00 0.00 0.00 57.00 56.03 3dxj n GLN 575 Cb 0.00 -1.41 0.20 0.00 -4.06 0.00 0.00 30.24 24.97 3dxj n GLN 575 CO 0.00 0.00 0.00 1.49 -0.20 0.00 0.00 177.06 178.35 3dxj h GLU 576 N 0.00 0.01 0.44 3.69 4.81 0.58 0.25 114.58 124.37 3dxj h GLU 576 Ca 0.02 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 3dxj h GLU 576 Cb 0.05 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 3dxj h GLU 576 CO -0.12 0.01 -0.47 0.00 -0.73 0.00 0.00 179.01 177.70 3dxj h ALA 577 N 1.94 -1.12 -0.88 2.92 0.00 0.57 0.34 119.26 123.04 3dxj h ALA 577 Ca 0.51 -0.17 0.23 0.00 0.00 0.00 0.00 54.91 55.48 3dxj h ALA 577 Cb 0.92 0.71 -0.15 0.00 0.00 0.00 0.00 17.79 19.26 3dxj h ALA 577 CO -0.93 -1.15 0.08 0.28 0.00 0.00 0.00 179.25 177.53 3dxj h VAL 578 N -0.92 0.21 0.79 0.00 2.07 0.26 0.22 116.25 118.89 3dxj h VAL 578 Ca -0.06 -0.03 -0.04 0.00 0.82 0.00 0.00 66.70 67.39 3dxj h VAL 578 Cb 0.80 0.10 0.01 0.00 -1.52 0.00 0.00 31.29 30.69 3dxj h VAL 578 CO -0.07 0.02 -0.38 0.44 0.02 0.00 0.00 177.57 177.59 3dxj h ASP 579 N 0.10 -0.90 -1.45 0.57 3.32 -0.42 -1.39 116.42 116.25 3dxj h ASP 579 Ca 0.53 0.02 0.49 0.00 0.02 0.00 0.00 57.03 58.09 3dxj h ASP 579 Cb 1.04 0.23 -0.13 0.00 0.22 0.00 0.00 39.33 40.69 3dxj h ASP 579 CO -0.76 -0.56 0.95 0.00 -1.72 0.00 0.00 179.24 177.15 3dxj h ALA 580 N -1.16 2.95 0.15 3.45 0.00 0.24 0.38 119.26 125.26 3dxj h ALA 580 Ca -0.11 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3dxj h ALA 580 Cb 0.83 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3dxj h ALA 580 CO 0.18 -1.64 -0.07 1.25 0.00 0.00 0.00 179.25 178.97 3dxj h LEU 581 N 0.00 -0.17 -0.52 0.00 5.85 -0.14 -2.38 115.31 117.95 3dxj h LEU 581 Ca 0.89 0.01 0.05 0.00 0.84 0.00 0.00 57.88 59.67 3dxj h LEU 581 Cb 2.95 0.04 -0.06 0.00 0.37 0.00 0.00 40.66 43.97 3dxj h LEU 581 CO -0.43 0.03 -0.31 0.18 -0.34 0.00 0.00 178.44 177.57 3dxj n LEU 582 N -3.34 -0.55 -3.45 2.25 4.77 -0.04 -3.15 117.00 113.49 3dxj n LEU 582 Ca -0.02 1.31 -0.17 0.00 -0.03 0.00 0.00 56.01 57.09 3dxj n LEU 582 Cb 0.08 -0.31 -0.11 0.00 -2.33 0.00 0.00 43.42 40.74 3dxj n LEU 582 CO 0.06 -0.95 -0.18 -0.62 -1.33 0.00 0.00 177.39 174.37 3dxj s ASP 583 N -4.41 1.45 0.35 -1.43 2.15 -0.27 -1.97 116.67 112.54 3dxj s ASP 583 Ca -0.06 -0.40 -0.25 0.00 0.43 0.00 0.00 52.55 52.27 3dxj s ASP 583 Cb 0.06 0.47 -0.09 0.00 -0.30 0.00 0.00 42.92 43.05 3dxj s ASP 583 CO 0.32 -0.35 1.00 0.21 -0.17 0.00 0.00 175.17 176.19 3dxj s ASN 584 N 2.35 7.08 0.00 -0.34 2.47 -0.90 -3.84 114.94 121.77 3dxj s ASN 584 Ca 0.08 1.96 0.00 0.00 0.42 0.00 0.00 52.86 55.32 3dxj s ASN 584 Cb -0.15 -2.59 0.00 0.00 -1.45 0.00 0.00 41.25 37.06 3dxj s ASN 584 CO -0.20 -0.26 0.00 0.61 -3.72 0.00 0.00 177.10 173.53 3dxj n GLY 585 N 0.49 3.01 0.00 1.21 0.00 -1.25 -4.89 105.19 103.77 3dxj n GLY 585 Ca 0.03 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.93 0.58 -2.70 1.61 5.12 -1.25 -3.96 116.66 114.13 3dxj n ARG 586 Ca 0.00 0.00 -0.06 0.00 -1.93 0.00 0.00 57.85 55.86 3dxj n ARG 586 Cb 0.00 -1.30 0.07 0.00 -1.16 0.00 0.00 32.46 30.07 3dxj n ARG 586 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3dxj n ARG 587 N -0.80 0.45 0.00 5.56 1.74 -1.26 -5.01 116.66 117.34 3dxj n ARG 587 Ca 0.08 -1.19 0.00 0.00 -0.77 0.00 0.00 57.85 55.97 3dxj n ARG 587 Cb 0.04 -0.78 0.00 0.00 -1.02 0.00 0.00 32.46 30.70 3dxj n ARG 587 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3dxj n GLY 588 N 1.44 -1.80 3.57 -0.13 0.00 -1.25 -5.01 105.19 102.01 3dxj n GLY 588 Ca 0.04 -1.85 -0.02 0.00 0.00 0.00 0.00 46.02 44.20 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 -1.70 -2.35 -0.14 4.61 0.00 -1.26 -3.78 121.76 117.13 3dxj s ALA 589 Ca 0.00 2.19 -0.16 0.00 0.00 0.00 0.00 51.96 53.99 3dxj s ALA 589 Cb 0.00 -1.79 -0.04 0.00 0.00 0.00 0.00 23.12 21.29 3dxj s ALA 589 CO 0.00 -0.58 0.40 -1.25 0.00 0.00 0.00 175.76 174.33 3dxj s PRO 590 N 1.82 4.29 0.31 0.00 0.04 -1.26 -5.01 135.00 135.20 3dxj s PRO 590 Ca -0.07 0.28 0.06 0.00 0.04 0.00 0.00 61.00 61.31 3dxj s PRO 590 Cb -0.05 -3.44 -0.06 0.00 0.04 0.00 0.00 34.50 30.98 3dxj s PRO 590 CO -0.16 0.17 -0.02 0.14 0.04 0.00 0.00 177.00 177.17 3dxj s VAL 591 N 0.63 1.60 -0.40 -0.36 -7.23 -1.26 -2.92 120.40 110.47 3dxj s VAL 591 Ca 0.21 -2.07 -0.41 0.00 -1.81 0.00 0.00 61.98 57.90 3dxj s VAL 591 Cb -0.14 -2.64 -0.16 0.00 0.56 0.00 0.00 36.38 34.00 3dxj s VAL 591 CO 0.07 -0.17 2.00 0.35 -0.31 0.00 0.00 175.10 177.04 3dxj n THR 592 N -0.68 0.14 -0.35 5.32 -2.24 -1.21 -4.74 114.28 110.51 3dxj n THR 592 Ca -0.04 -0.10 0.07 0.00 -2.27 0.00 0.00 64.05 61.71 3dxj n THR 592 Cb 0.65 -1.05 0.16 0.00 -2.10 0.00 0.00 70.33 67.98 3dxj n THR 592 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 175.07 173.37 3dxj h ASN 593 N 9.19 -0.85 -2.02 3.42 -0.73 -1.95 -3.40 115.58 119.23 3dxj h ASN 593 Ca -0.29 0.29 -0.45 0.00 1.87 0.00 0.00 56.30 57.72 3dxj h ASN 593 Cb 1.36 0.59 -0.00 0.00 0.27 0.00 0.00 38.32 40.53 3dxj h ASN 593 CO 1.02 -0.33 -0.40 -2.16 -0.37 0.00 0.00 177.43 175.20 3dxj s PRO 594 N -6.22 3.29 3.40 6.67 0.04 -1.26 -5.00 135.00 135.92 3dxj s PRO 594 Ca -0.15 -0.88 0.00 0.00 0.04 0.00 0.00 61.00 60.02 3dxj s PRO 594 Cb 0.27 -2.85 0.00 0.00 0.04 0.00 0.00 34.50 31.96 3dxj s PRO 594 CO 0.78 0.27 0.00 0.41 0.04 0.00 0.00 177.00 178.50 3dxj n GLY 595 N -1.50 0.69 3.60 0.56 0.00 -1.26 -4.79 105.19 102.49 3dxj n GLY 595 Ca -0.05 -0.78 -0.65 0.00 0.00 0.00 0.00 46.02 44.54 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 -2.42 1.01 -1.66 1.61 3.41 -1.26 -4.77 113.62 109.54 3dxj n SER 596 Ca 0.00 1.15 -0.04 0.00 -0.26 0.00 0.00 58.87 59.72 3dxj n SER 596 Cb 0.00 -0.86 -0.05 0.00 -0.26 0.00 0.00 64.21 63.04 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 3.55 5.35 -4.76 4.04 5.75 -1.26 -4.22 116.55 125.00 3dxj n ASP 597 Ca 0.29 -2.45 -0.39 0.00 -0.01 0.00 0.00 54.79 52.22 3dxj n ASP 597 Cb -0.04 -1.21 -0.05 0.00 -1.03 0.00 0.00 41.12 38.78 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 0.25 4.43 0.91 0.11 1.70 -1.26 -4.89 118.95 120.20 3dxj s ARG 598 Ca 0.21 0.96 -0.10 0.00 -0.47 0.00 0.00 55.73 56.33 3dxj s ARG 598 Cb 0.10 -3.33 0.14 0.00 -0.57 0.00 0.00 34.95 31.29 3dxj s ARG 598 CO -0.00 0.37 1.13 -1.25 -1.08 0.00 0.00 175.30 174.47 3dxj s PRO 599 N -0.32 1.03 -0.26 3.89 0.04 -1.26 -3.36 135.00 134.76 3dxj s PRO 599 Ca 0.35 1.41 -0.12 0.00 0.04 0.00 0.00 61.00 62.69 3dxj s PRO 599 Cb -0.20 -1.74 -0.05 0.00 0.04 0.00 0.00 34.50 32.55 3dxj s PRO 599 CO 0.22 -2.58 0.24 -0.51 0.04 0.00 0.00 177.00 174.41 3dxj s LEU 600 N -6.55 4.07 -0.29 -3.56 1.43 -1.15 -4.83 118.68 107.80 3dxj s LEU 600 Ca 0.66 0.15 -0.37 0.00 -1.03 0.00 0.00 54.13 53.54 3dxj s LEU 600 Cb -0.22 -2.22 -0.13 0.00 0.03 0.00 0.00 46.19 43.65 3dxj s LEU 600 CO 0.58 -0.04 2.02 -1.14 0.23 0.00 0.00 176.35 178.00 3dxj n ARG 601 N 4.79 1.24 -1.93 1.70 3.00 -1.26 -4.84 116.66 119.36 3dxj n ARG 601 Ca -0.13 0.40 -0.14 0.00 -0.00 0.00 0.00 57.85 57.98 3dxj n ARG 601 Cb 0.52 -2.37 0.07 0.00 0.00 0.00 0.00 32.46 30.68 3dxj n ARG 601 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 3dxj n SER 602 N 8.09 0.95 0.00 6.15 3.41 -1.26 -4.45 113.62 126.51 3dxj n SER 602 Ca 0.35 -1.77 0.00 0.00 -0.26 0.00 0.00 58.87 57.19 3dxj n SER 602 Cb 0.20 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.77 3dxj n SER 602 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3dxj n LEU 603 N 0.00 0.00 -0.31 1.04 4.77 -1.19 0.08 117.00 121.39 3dxj n LEU 603 Ca 0.11 0.74 -0.02 0.00 -0.03 0.00 0.00 56.01 56.81 3dxj n LEU 603 Cb 0.38 -0.24 0.02 0.00 -2.33 0.00 0.00 43.42 41.25 3dxj n LEU 603 CO 0.25 -0.24 0.45 0.41 -1.33 0.00 0.00 177.39 176.94 3dxj n THR 604 N -1.51 -0.43 -0.17 -5.08 -1.04 -0.83 0.99 114.28 106.20 3dxj n THR 604 Ca 0.00 1.87 -0.09 0.00 -2.04 0.00 0.00 64.05 63.79 3dxj n THR 604 Cb 0.00 -2.44 -0.04 0.00 -1.82 0.00 0.00 70.33 66.03 3dxj n THR 604 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 3dxj h ASP 605 N 0.00 -1.45 0.00 8.00 5.19 -1.75 -3.22 116.42 123.20 3dxj h ASP 605 Ca 0.26 0.23 0.00 0.00 -0.62 0.00 0.00 57.03 56.90 3dxj h ASP 605 Cb 0.46 0.65 0.00 0.00 0.18 0.00 0.00 39.33 40.62 3dxj h ASP 605 CO -0.78 -0.35 0.00 -0.38 -3.12 0.00 0.00 179.24 174.61 3dxj n ILE 606 N -5.41 0.00 0.00 0.35 5.41 0.28 -0.73 119.36 119.26 3dxj n ILE 606 Ca 0.01 1.12 0.00 0.00 1.00 0.00 0.00 62.75 64.88 3dxj n ILE 606 Cb 0.35 -2.01 0.00 0.00 -0.71 0.00 0.00 39.64 37.27 3dxj n ILE 606 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 3dxj n LEU 607 N -0.99 0.00 0.19 1.39 7.94 -0.75 -0.58 117.00 124.19 3dxj n LEU 607 Ca 0.00 0.00 0.13 0.00 -1.11 0.00 0.00 56.01 55.03 3dxj n LEU 607 Cb 0.00 0.00 0.35 0.00 0.53 0.00 0.00 43.42 44.30 3dxj n LEU 607 CO 0.00 0.00 0.87 0.77 -1.11 0.00 0.00 177.39 177.92 3dxj h SER 608 N 0.00 0.00 -5.88 1.96 4.64 -1.74 -3.47 113.55 109.06 3dxj h SER 608 Ca 0.00 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 60.92 3dxj h SER 608 Cb 0.00 0.00 0.12 0.00 -0.31 0.00 0.00 62.40 62.21 3dxj h SER 608 CO 0.00 0.00 -0.72 0.61 -0.87 0.00 0.00 176.83 175.85 3dxj n GLY 609 N 0.88 -0.48 0.00 -0.77 0.00 0.25 -4.80 105.19 100.27 3dxj n GLY 609 Ca 0.04 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.26 3dxj n GLY 609 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3dxj n LYS 610 N -4.72 0.00 -0.54 1.61 3.00 -1.21 -3.56 118.16 112.74 3dxj n LYS 610 Ca -0.08 0.22 -0.02 0.00 -0.00 0.00 0.00 58.31 58.43 3dxj n LYS 610 Cb 0.59 -1.51 -0.03 0.00 0.00 0.00 0.00 35.03 34.07 3dxj n LYS 610 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3dxj n GLN 611 N -1.21 1.07 -0.12 1.64 10.64 -1.26 -2.12 117.38 126.03 3dxj n GLN 611 Ca 0.00 -0.20 0.00 0.00 -1.83 0.00 0.00 57.00 54.97 3dxj n GLN 611 Cb 0.01 -1.26 0.00 0.00 -0.86 0.00 0.00 30.24 28.14 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 1.79 0.77 2.62 2.61 0.00 -1.23 -5.01 105.19 106.73 3dxj n GLY 612 Ca 0.08 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.90 3dxj n GLY 612 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dxj n ARG 613 N 0.00 -2.92 -3.78 1.61 1.74 -0.90 -3.09 116.66 109.33 3dxj n ARG 613 Ca 0.00 0.90 -0.24 0.00 -0.77 0.00 0.00 57.85 57.75 3dxj n ARG 613 Cb 0.38 -5.56 -0.03 0.00 -1.02 0.00 0.00 32.46 26.23 3dxj n ARG 613 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3dxj n PHE 614 N -4.21 -0.83 0.00 -1.55 -0.00 -1.26 -4.61 117.46 105.00 3dxj n PHE 614 Ca -0.18 0.25 0.00 0.00 -0.00 0.00 0.00 57.45 57.53 3dxj n PHE 614 Cb 0.65 -1.77 0.00 0.00 -0.00 0.00 0.00 39.48 38.36 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 -3.41 0.00 -0.80 -4.13 1.85 -1.18 -4.26 116.66 104.73 3dxj n ARG 615 Ca -0.16 0.00 -0.04 0.00 -1.00 0.00 0.00 57.85 56.65 3dxj n ARG 615 Cb 0.41 -0.60 0.22 0.00 -1.05 0.00 0.00 32.46 31.44 3dxj n ARG 615 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 3dxj n GLN 616 N -2.60 2.39 -1.45 2.89 6.02 -1.26 -5.03 117.38 118.35 3dxj n GLN 616 Ca 0.00 -3.07 -0.42 0.00 -0.01 0.00 0.00 57.00 53.50 3dxj n GLN 616 Cb 0.38 -1.92 0.00 0.00 1.02 0.00 0.00 30.24 29.72 3dxj n GLN 616 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3dxj n ASN 617 N -0.86 -0.93 -2.27 1.08 2.85 -1.26 -4.72 115.26 109.14 3dxj n ASN 617 Ca 0.35 0.93 -0.10 0.00 -0.11 0.00 0.00 54.58 55.65 3dxj n ASN 617 Cb 1.13 -1.10 -0.10 0.00 1.24 0.00 0.00 39.78 40.95 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 1.40 3.71 -4.64 1.20 4.77 -1.26 -4.88 117.00 117.29 3dxj n LEU 618 Ca 0.12 -2.37 -0.43 0.00 -0.03 0.00 0.00 56.01 53.29 3dxj n LEU 618 Cb 0.38 -0.97 -0.02 0.00 -2.33 0.00 0.00 43.42 40.48 3dxj n LEU 618 CO 0.55 0.96 1.04 -0.76 -1.33 0.00 0.00 177.39 177.86 3dxj s LEU 619 N 0.01 4.00 0.00 2.23 1.43 -1.26 -4.90 118.68 120.19 3dxj s LEU 619 Ca 0.45 1.30 0.00 0.00 -1.03 0.00 0.00 54.13 54.85 3dxj s LEU 619 Cb 0.20 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.88 3dxj s LEU 619 CO -0.00 -0.89 0.00 0.61 0.23 0.00 0.00 176.35 176.29 3dxj n GLY 620 N 3.89 3.50 0.00 -3.19 0.00 -1.26 -5.18 105.19 102.95 3dxj n GLY 620 Ca 0.13 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 45.00 3dxj n GLY 620 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dxj n LYS 621 N -1.39 0.37 -4.56 1.61 5.02 -1.26 -5.17 118.16 112.79 3dxj n LYS 621 Ca 0.00 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.05 3dxj n LYS 621 Cb 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 35.03 34.84 3dxj n LYS 621 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3dxj s ARG 622 N -1.63 1.62 0.92 1.97 0.52 -1.26 -5.15 118.95 115.95 3dxj s ARG 622 Ca 0.00 -0.39 -0.14 0.00 -0.52 0.00 0.00 55.73 54.68 3dxj s ARG 622 Cb 0.00 -1.36 0.15 0.00 0.52 0.00 0.00 34.95 34.27 3dxj s ARG 622 CO 0.00 0.02 1.20 0.08 0.02 0.00 0.00 175.30 176.63 3dxj s VAL 623 N 0.66 1.96 -0.10 3.52 1.01 -1.26 -5.03 120.40 121.16 3dxj s VAL 623 Ca -0.14 0.00 0.04 0.00 0.00 0.00 0.00 61.98 61.88 3dxj s VAL 623 Cb -0.16 -2.87 -0.09 0.00 0.00 0.00 0.00 36.38 33.27 3dxj s VAL 623 CO 0.03 0.00 -0.04 0.47 0.00 0.00 0.00 175.10 175.56 3dxj n ASP 624 N -3.73 3.03 -3.67 3.32 8.00 -1.26 -4.70 116.55 117.55 3dxj n ASP 624 Ca 0.10 -0.03 -0.37 0.00 0.71 0.00 0.00 54.79 55.20 3dxj n ASP 624 Cb 0.60 0.20 -0.01 0.00 -0.02 0.00 0.00 41.12 41.88 3dxj n ASP 624 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3dxj n TYR 625 N -2.61 2.87 -4.24 1.24 4.02 -1.26 -4.96 117.16 112.22 3dxj n TYR 625 Ca -0.17 -3.10 -0.17 0.00 -0.01 0.00 0.00 57.90 54.45 3dxj n TYR 625 Cb 0.74 -0.99 -0.11 0.00 -0.02 0.00 0.00 39.34 38.96 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 -2.06 1.97 0.34 7.72 1.04 -1.25 -1.17 113.70 120.29 3dxj s SER 626 Ca 0.37 -0.85 -0.10 0.00 0.48 0.00 0.00 55.95 55.85 3dxj s SER 626 Cb 0.13 -0.06 0.04 0.00 0.10 0.00 0.00 66.02 66.23 3dxj s SER 626 CO 0.01 -0.18 0.62 0.61 0.98 0.00 0.00 173.24 175.28 3dxj n GLY 627 N 0.39 1.43 3.64 7.32 0.00 -0.68 -4.94 105.19 112.34 3dxj n GLY 627 Ca -0.14 -1.34 -0.08 0.00 0.00 0.00 0.00 46.02 44.46 3dxj n GLY 627 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3dxj s ARG 628 N -2.27 0.42 0.14 1.61 3.52 -1.26 -1.01 118.95 120.11 3dxj s ARG 628 Ca 0.18 0.48 -0.25 0.00 -0.13 0.00 0.00 55.73 56.01 3dxj s ARG 628 Cb -0.03 0.21 0.06 0.00 -1.56 0.00 0.00 34.95 33.63 3dxj s ARG 628 CO 0.13 -0.06 0.85 0.45 -0.81 0.00 0.00 175.30 175.86 3dxj s SER 629 N 0.12 -0.29 0.52 -2.12 0.15 -0.44 -4.96 113.70 106.67 3dxj s SER 629 Ca 0.04 -0.30 -0.20 0.00 0.70 0.00 0.00 55.95 56.19 3dxj s SER 629 Cb -0.05 0.53 -0.07 0.00 -1.71 0.00 0.00 66.02 64.72 3dxj s SER 629 CO -0.08 -0.94 1.12 -0.69 1.20 0.00 0.00 173.24 173.86 3dxj s VAL 630 N -3.44 3.27 0.08 4.45 1.01 -1.26 0.03 120.40 124.55 3dxj s VAL 630 Ca 0.09 0.82 0.01 0.00 0.00 0.00 0.00 61.98 62.90 3dxj s VAL 630 Cb -0.02 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 3dxj s VAL 630 CO -0.01 -0.14 0.20 0.27 0.00 0.00 0.00 175.10 175.41 3dxj s ILE 631 N -1.77 5.20 0.04 2.22 -4.36 -0.69 -0.67 121.20 121.17 3dxj s ILE 631 Ca 0.70 -0.53 0.01 0.00 -0.26 0.00 0.00 60.65 60.57 3dxj s ILE 631 Cb -0.23 -3.57 -0.02 0.00 1.25 0.00 0.00 42.46 39.89 3dxj s ILE 631 CO 0.27 0.08 -0.06 -0.69 0.24 0.00 0.00 174.94 174.79 3dxj s VAL 632 N -1.54 0.39 0.17 8.37 1.01 0.50 -4.81 120.40 124.48 3dxj s VAL 632 Ca 0.34 -1.11 -0.30 0.00 0.00 0.00 0.00 61.98 60.90 3dxj s VAL 632 Cb -0.12 -0.60 -0.08 0.00 0.00 0.00 0.00 36.38 35.58 3dxj s VAL 632 CO 0.27 -0.48 1.25 0.54 0.00 0.00 0.00 175.10 176.68 3dxj s VAL 633 N -1.68 3.49 -0.89 2.92 0.11 -1.26 0.51 120.40 123.61 3dxj s VAL 633 Ca -0.10 1.20 -0.04 0.00 -2.93 0.00 0.00 61.98 60.11 3dxj s VAL 633 Cb -0.08 -3.77 0.22 0.00 -1.53 0.00 0.00 36.38 31.22 3dxj s VAL 633 CO -0.01 0.17 0.79 -0.83 -3.33 0.00 0.00 175.10 171.88 3dxj s GLY 634 N 0.41 2.99 0.25 6.54 0.00 0.32 -4.45 107.32 113.38 3dxj s GLY 634 Ca 0.56 -3.72 -0.05 0.00 0.00 0.00 0.00 44.72 41.51 3dxj s GLY 634 CO 0.36 1.21 1.87 -2.55 0.00 0.00 0.00 173.10 173.98 3dxj h PRO 635 N 6.41 1.04 -0.51 2.90 0.11 -1.94 -2.19 132.00 137.81 3dxj h PRO 635 Ca 0.13 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 66.10 3dxj h PRO 635 Cb 0.86 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 31.72 3dxj h PRO 635 CO 0.85 0.69 0.01 1.96 -0.21 0.00 0.00 178.00 181.30 3dxj h GLN 636 N 1.07 0.86 -6.13 1.05 1.08 -1.98 -3.45 115.11 107.62 3dxj h GLN 636 Ca 0.39 -0.24 -0.74 0.00 -1.45 0.00 0.00 58.65 56.61 3dxj h GLN 636 Cb 0.12 -0.10 0.05 0.00 -0.05 0.00 0.00 27.48 27.51 3dxj h GLN 636 CO -0.16 0.86 0.23 1.28 -0.95 0.00 0.00 178.83 180.08 3dxj n LEU 637 N -4.21 0.73 -4.77 1.46 4.77 -0.82 -4.91 117.00 109.25 3dxj n LEU 637 Ca 0.03 1.14 -0.39 0.00 -0.03 0.00 0.00 56.01 56.75 3dxj n LEU 637 Cb 0.31 -1.05 -0.06 0.00 -2.33 0.00 0.00 43.42 40.29 3dxj n LEU 637 CO 0.42 -1.54 0.46 -0.54 -1.33 0.00 0.00 177.39 174.86 3dxj s LYS 638 N 0.18 4.52 0.08 3.23 1.02 -1.26 -4.88 119.74 122.62 3dxj s LYS 638 Ca 0.87 1.10 0.06 0.00 0.02 0.00 0.00 55.97 58.02 3dxj s LYS 638 Cb -1.12 -3.28 0.24 0.00 -0.52 0.00 0.00 37.83 33.15 3dxj s LYS 638 CO 0.52 0.51 0.23 -0.11 -0.92 0.00 0.00 175.35 175.58 3dxj n LEU 639 N 1.90 0.01 -0.45 3.17 7.94 -1.26 0.11 117.00 128.42 3dxj n LEU 639 Ca -0.05 0.17 0.13 0.00 -1.11 0.00 0.00 56.01 55.14 3dxj n LEU 639 Cb 0.49 -0.08 0.31 0.00 0.53 0.00 0.00 43.42 44.66 3dxj n LEU 639 CO 0.46 -0.18 0.64 0.00 -1.11 0.00 0.00 177.39 177.20 3dxj n HIS 640 N -2.53 0.00 -3.28 1.96 1.44 -1.26 -4.40 115.22 107.16 3dxj n HIS 640 Ca 0.06 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.77 3dxj n HIS 640 Cb 0.27 -0.05 0.00 0.00 0.12 0.00 0.00 29.99 30.33 3dxj n HIS 640 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 3dxj n GLN 641 N -0.05 1.35 -3.65 -1.40 6.02 0.31 -2.02 117.38 117.95 3dxj n GLN 641 Ca 0.14 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 57.12 3dxj n GLN 641 Cb 0.41 0.00 -0.07 0.00 1.02 0.00 0.00 30.24 31.60 3dxj n GLN 641 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3dxj s GLY 643 N 0.53 2.88 -0.06 0.00 0.00 0.44 -0.25 107.32 110.86 3dxj s GLY 643 Ca -0.00 1.06 -0.01 0.00 0.00 0.00 0.00 44.72 45.76 3dxj s GLY 643 CO -0.13 1.78 0.02 -2.27 0.00 0.00 0.00 173.10 172.51 3dxj s LEU 644 N -1.14 0.51 -0.45 0.66 2.96 0.30 -2.67 118.68 118.85 3dxj s LEU 644 Ca 0.49 -0.02 -0.31 0.00 -0.22 0.00 0.00 54.13 54.06 3dxj s LEU 644 Cb -0.35 -0.32 -0.11 0.00 0.50 0.00 0.00 46.19 45.91 3dxj s LEU 644 CO 0.44 -0.20 2.32 -2.65 -1.32 0.00 0.00 176.35 174.93 3dxj n PRO 645 N 5.08 1.06 -0.33 0.98 -0.02 -1.24 -0.26 135.00 140.26 3dxj n PRO 645 Ca -0.08 0.22 -0.02 0.00 -2.02 0.00 0.00 63.50 61.59 3dxj n PRO 645 Cb 0.50 -2.69 0.03 0.00 -0.02 0.00 0.00 33.50 31.32 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 14.48 -0.05 -0.97 -0.52 1.57 -1.84 1.25 116.57 130.49 3dxj h LYS 646 Ca -0.25 0.00 0.27 0.00 -1.87 0.00 0.00 60.65 58.80 3dxj h LYS 646 Cb 1.30 0.01 -0.18 0.00 0.08 0.00 0.00 32.23 33.44 3dxj h LYS 646 CO 1.09 -0.03 0.07 -0.09 -0.57 0.00 0.00 179.45 179.91 3dxj h ARG 647 N -0.05 0.03 0.07 3.15 9.65 -1.87 1.74 114.38 127.09 3dxj h ARG 647 Ca 0.31 -0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 59.19 3dxj h ARG 647 Cb 0.58 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.16 3dxj h ARG 647 CO -0.89 0.02 -0.03 1.98 2.80 0.00 0.00 179.97 183.84 3dxj h MET 648 N 0.03 -0.09 -0.90 0.20 4.05 0.83 -3.14 114.93 115.90 3dxj h MET 648 Ca 0.60 0.01 0.20 0.00 -0.28 0.00 0.00 59.70 60.23 3dxj h MET 648 Cb 1.25 0.02 -0.17 0.00 -0.80 0.00 0.00 31.60 31.90 3dxj h MET 648 CO -0.88 0.48 -0.14 0.00 0.23 0.00 0.00 176.91 176.59 3dxj n ALA 649 N -2.55 0.30 -1.00 0.39 0.00 0.23 -1.86 120.51 116.01 3dxj n ALA 649 Ca -0.08 0.98 0.00 0.00 0.00 0.00 0.00 53.44 54.35 3dxj n ALA 649 Cb 0.30 -0.63 0.00 0.00 0.00 0.00 0.00 19.45 19.12 3dxj n ALA 649 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3dxj n LEU 650 N -5.42 0.00 -0.16 0.00 7.94 0.55 -1.81 117.00 118.10 3dxj n LEU 650 Ca 0.17 0.00 -0.04 0.00 -1.11 0.00 0.00 56.01 55.03 3dxj n LEU 650 Cb 0.53 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.45 3dxj n LEU 650 CO -0.09 0.00 0.30 1.21 -1.11 0.00 0.00 177.39 177.69 3dxj n GLU 651 N 0.00 -0.17 -0.28 1.96 4.07 -0.78 0.22 120.64 125.66 3dxj n GLU 651 Ca 0.00 0.80 0.18 0.00 -0.06 0.00 0.00 57.16 58.08 3dxj n GLU 651 Cb 0.00 -1.18 0.35 0.00 -0.06 0.00 0.00 31.44 30.54 3dxj n GLU 651 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 3dxj n LEU 652 N -3.94 0.06 -0.31 4.31 4.77 -0.86 0.18 117.00 121.21 3dxj n LEU 652 Ca 0.01 1.42 0.11 0.00 -0.03 0.00 0.00 56.01 57.53 3dxj n LEU 652 Cb 0.10 -0.59 0.10 0.00 -2.33 0.00 0.00 43.42 40.70 3dxj n LEU 652 CO -0.06 -1.50 0.36 0.49 -1.33 0.00 0.00 177.39 175.34 3dxj n PHE 653 N -5.10 0.00 0.00 -1.77 3.01 0.13 -4.74 117.46 109.00 3dxj n PHE 653 Ca 0.25 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.71 3dxj n PHE 653 Cb 0.82 -0.05 0.00 0.00 -0.01 0.00 0.00 39.48 40.24 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 -0.55 0.00 0.00 -1.08 4.81 0.47 -0.81 118.16 120.99 3dxj n LYS 654 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.53 3dxj n LYS 654 Cb 0.40 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.45 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 -1.13 0.00 -0.32 1.64 -0.02 -1.26 -0.61 135.00 133.30 3dxj n PRO 655 Ca 0.00 0.52 -0.01 0.00 -2.02 0.00 0.00 63.50 61.99 3dxj n PRO 655 Cb 0.00 -1.07 0.03 0.00 -0.02 0.00 0.00 33.50 32.44 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 -1.22 0.02 -0.11 6.00 3.01 0.01 0.31 117.46 125.48 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 -0.81 -0.06 0.00 -0.01 0.00 0.00 39.48 38.61 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 -1.08 -0.32 4.37 5.85 -0.31 -1.72 115.31 122.10 3dxj h LEU 657 Ca 0.29 0.15 0.03 0.00 0.84 0.00 0.00 57.88 59.18 3dxj h LEU 657 Cb 0.49 0.45 -0.04 0.00 0.37 0.00 0.00 40.66 41.93 3dxj h LEU 657 CO -0.82 -0.21 -0.19 0.18 -0.34 0.00 0.00 178.44 177.06 3dxj n LEU 658 N -4.21 -0.34 -0.20 2.25 4.77 0.15 -0.45 117.00 118.97 3dxj n LEU 658 Ca -0.01 0.84 -0.13 0.00 -0.03 0.00 0.00 56.01 56.68 3dxj n LEU 658 Cb 0.18 -0.20 -0.10 0.00 -2.33 0.00 0.00 43.42 40.97 3dxj n LEU 658 CO -0.01 -0.60 0.49 0.50 -1.33 0.00 0.00 177.39 176.44 3dxj h LYS 659 N 0.00 -0.28 -1.09 3.23 1.63 -1.07 0.57 116.57 119.56 3dxj h LYS 659 Ca 0.05 0.02 0.30 0.00 -0.85 0.00 0.00 60.65 60.17 3dxj h LYS 659 Cb 0.13 0.06 -0.07 0.00 -0.60 0.00 0.00 32.23 31.75 3dxj h LYS 659 CO -0.30 -0.19 0.73 0.87 -3.45 0.00 0.00 179.45 177.11 3dxj h LYS 660 N -0.29 0.22 0.00 1.90 1.79 -0.51 0.39 116.57 120.06 3dxj h LYS 660 Ca 0.09 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.55 3dxj h LYS 660 Cb 0.52 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 3dxj h LYS 660 CO -0.65 0.14 0.00 -1.33 -1.08 0.00 0.00 179.45 176.54 3dxj n MET 661 N -4.45 0.00 -0.36 3.15 2.81 0.19 -1.28 117.12 117.18 3dxj n MET 661 Ca 0.25 0.44 -0.04 0.00 -1.81 0.00 0.00 57.70 56.55 3dxj n MET 661 Cb 1.02 -1.40 0.01 0.00 -0.71 0.00 0.00 33.22 32.14 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 -1.46 0.03 4.81 -0.52 1.91 114.58 119.33 3dxj h GLU 662 Ca 0.00 0.00 0.42 0.00 -0.13 0.00 0.00 59.36 59.65 3dxj h GLU 662 Cb 0.00 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.33 3dxj h GLU 662 CO 0.00 -0.02 1.25 0.93 -0.73 0.00 0.00 179.01 180.44 3dxj h GLU 663 N -0.03 0.00 -5.55 1.92 5.08 -0.09 -3.31 114.58 112.60 3dxj h GLU 663 Ca 0.29 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.98 3dxj h GLU 663 Cb 0.56 0.00 -0.29 0.00 0.50 0.00 0.00 28.75 29.52 3dxj h GLU 663 CO -0.94 0.00 -0.82 0.15 -1.00 0.00 0.00 179.01 176.41 3dxj s LYS 664 N -4.69 3.07 0.21 2.33 1.02 0.65 -4.99 119.74 117.34 3dxj s LYS 664 Ca -0.04 -0.77 0.13 0.00 0.02 0.00 0.00 55.97 55.31 3dxj s LYS 664 Cb 0.21 -2.44 0.75 0.00 -0.52 0.00 0.00 37.83 35.83 3dxj s LYS 664 CO 0.70 0.28 0.85 0.41 -0.92 0.00 0.00 175.35 176.67 3dxj n GLY 665 N 3.29 -0.42 0.41 -3.33 0.00 -1.25 -1.32 105.19 102.58 3dxj n GLY 665 Ca -0.18 0.43 0.26 0.00 0.00 0.00 0.00 46.02 46.53 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 -4.10 0.00 -3.74 -0.61 -5.35 -1.26 -3.44 119.36 100.86 3dxj n ILE 666 Ca 0.21 0.93 -0.28 0.00 -0.27 0.00 0.00 62.75 63.34 3dxj n ILE 666 Cb 0.74 -1.61 -0.16 0.00 -1.74 0.00 0.00 39.64 36.86 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 -3.91 1.07 0.06 -1.28 0.00 -0.44 -4.95 121.76 112.31 3dxj s ALA 667 Ca -0.02 -0.81 -0.25 0.00 0.00 0.00 0.00 51.96 50.87 3dxj s ALA 667 Cb 0.13 -1.23 -0.12 0.00 0.00 0.00 0.00 23.12 21.90 3dxj s ALA 667 CO 0.43 -1.23 1.38 -1.35 0.00 0.00 0.00 175.76 174.99 3dxj h PRO 668 N 8.23 -0.68 0.00 0.00 0.11 -1.85 -3.27 132.00 134.53 3dxj h PRO 668 Ca -0.16 0.05 -0.25 0.00 0.11 0.00 0.00 66.00 65.75 3dxj h PRO 668 Cb 1.11 0.16 -0.05 0.00 0.11 0.00 0.00 31.00 32.32 3dxj h PRO 668 CO 0.35 -0.46 -0.20 0.27 -0.21 0.00 0.00 178.00 177.76 3dxj n ASN 669 N -4.51 1.50 0.00 -2.05 6.94 -1.26 -4.81 115.26 111.07 3dxj n ASN 669 Ca -0.08 -1.92 0.00 0.00 -0.02 0.00 0.00 54.58 52.55 3dxj n ASN 669 Cb 0.32 0.35 0.00 0.00 -2.36 0.00 0.00 39.78 38.10 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 -0.43 0.00 -0.31 3.53 0.31 -1.26 -2.04 118.33 118.12 3dxj n VAL 670 Ca -0.04 0.77 0.30 0.00 -0.01 0.00 0.00 64.34 65.35 3dxj n VAL 670 Cb 0.26 -1.50 0.54 0.00 -0.91 0.00 0.00 33.84 32.23 3dxj n VAL 670 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 3dxj n LYS 671 N -0.75 -0.05 0.00 5.55 3.00 -1.26 0.18 118.16 124.83 3dxj n LYS 671 Ca 0.00 1.21 0.00 0.00 -0.00 0.00 0.00 58.31 59.52 3dxj n LYS 671 Cb 0.00 -2.21 0.00 0.00 0.00 0.00 0.00 35.03 32.82 3dxj n LYS 671 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3dxj n ALA 672 N -2.38 -0.22 -0.29 3.14 0.00 -1.22 0.57 120.51 120.11 3dxj n ALA 672 Ca 0.34 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.89 3dxj n ALA 672 Cb 1.20 0.19 0.27 0.00 0.00 0.00 0.00 19.45 21.11 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 -1.66 1.32 -0.31 0.00 0.00 0.17 0.51 119.26 119.29 3dxj h ALA 673 Ca 0.00 0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.10 3dxj h ALA 673 Cb 0.00 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 17.87 3dxj h ALA 673 CO 0.00 -0.31 -0.45 0.00 0.00 0.00 0.00 179.25 178.49 3dxj h ARG 674 N 0.40 -0.32 -0.69 0.00 2.47 0.32 0.10 114.38 116.66 3dxj h ARG 674 Ca 0.52 0.02 -0.07 0.00 -1.26 0.00 0.00 59.98 59.19 3dxj h ARG 674 Cb 0.94 0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 29.31 3dxj h ARG 674 CO -0.51 -0.21 0.16 0.00 0.56 0.00 0.00 179.97 179.97 3dxj h ARG 675 N -0.33 1.11 0.00 0.04 3.08 0.11 -2.45 114.38 115.94 3dxj h ARG 675 Ca 0.06 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 59.84 3dxj h ARG 675 Cb 0.49 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.39 3dxj h ARG 675 CO -0.47 0.98 0.78 1.98 -1.07 0.00 0.00 179.97 182.17 3dxj h MET 676 N 1.05 0.00 -0.00 0.04 1.85 0.25 0.16 114.93 118.28 3dxj h MET 676 Ca 0.22 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.31 3dxj h MET 676 Cb 0.38 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.41 3dxj h MET 676 CO 0.00 0.00 -0.20 1.28 -0.40 0.00 0.00 176.91 177.60 3dxj n LEU 677 N -2.61 0.20 -0.07 3.39 4.77 -0.64 -4.45 117.00 117.59 3dxj n LEU 677 Ca -0.01 -0.50 0.22 0.00 -0.03 0.00 0.00 56.01 55.70 3dxj n LEU 677 Cb 0.80 0.00 0.69 0.00 -2.33 0.00 0.00 43.42 42.57 3dxj n LEU 677 CO 0.04 0.05 1.21 1.05 -1.33 0.00 0.00 177.39 178.41 3dxj h GLU 678 N 0.00 0.03 -5.01 3.23 4.11 -0.61 -3.40 114.58 112.93 3dxj h GLU 678 Ca 0.00 -0.00 -0.62 0.00 0.07 0.00 0.00 59.36 58.81 3dxj h GLU 678 Cb 0.10 -0.01 -0.33 0.00 0.50 0.00 0.00 28.75 29.01 3dxj h GLU 678 CO 0.00 0.02 -0.85 1.03 0.07 0.00 0.00 179.01 179.28 3dxj s ARG 679 N -5.04 2.55 0.54 1.06 0.52 -1.26 -5.03 118.95 112.29 3dxj s ARG 679 Ca -0.05 -0.70 0.25 0.00 -0.52 0.00 0.00 55.73 54.71 3dxj s ARG 679 Cb 0.20 -2.01 1.42 0.00 0.52 0.00 0.00 34.95 35.09 3dxj s ARG 679 CO 0.75 0.08 2.02 1.96 0.02 0.00 0.00 175.30 180.13 3dxj h GLN 680 N 6.96 0.00 -0.44 3.54 4.20 -1.95 -2.84 115.11 124.59 3dxj h GLN 680 Ca -0.26 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.44 3dxj h GLN 680 Cb 1.21 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.97 3dxj h GLN 680 CO 0.48 0.00 0.22 0.07 -0.67 0.00 0.00 178.83 178.94 3dxj h ARG 681 N 0.00 0.62 -0.73 1.46 0.11 -1.95 -2.72 114.38 111.16 3dxj h ARG 681 Ca 0.20 -0.08 0.00 0.00 0.10 0.00 0.00 59.98 60.20 3dxj h ARG 681 Cb 0.84 -0.12 0.00 0.00 1.11 0.00 0.00 29.97 31.81 3dxj h ARG 681 CO -0.00 0.52 0.00 -0.25 0.10 0.00 0.00 179.97 180.34 3dxj n ASP 682 N -4.68 3.48 -4.58 0.08 9.92 -1.07 -4.78 116.55 114.92 3dxj n ASP 682 Ca 0.01 -2.46 -0.42 0.00 -0.53 0.00 0.00 54.79 51.39 3dxj n ASP 682 Cb 0.10 -0.57 -0.02 0.00 -0.64 0.00 0.00 41.12 39.99 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 -1.92 3.98 0.54 0.53 1.01 -1.03 -4.89 121.20 119.42 3dxj s ILE 683 Ca 0.30 0.86 -0.09 0.00 0.00 0.00 0.00 60.65 61.72 3dxj s ILE 683 Cb 0.22 -4.73 0.13 0.00 0.01 0.00 0.00 42.46 38.09 3dxj s ILE 683 CO 0.10 -1.38 0.49 0.29 0.00 0.00 0.00 174.94 174.44 3dxj n LYS 684 N 8.53 -1.87 0.00 2.79 5.02 -1.26 -5.05 118.16 126.32 3dxj n LYS 684 Ca 0.08 -0.78 0.00 0.00 -2.02 0.00 0.00 58.31 55.59 3dxj n LYS 684 Cb 0.49 -0.72 0.00 0.00 -0.02 0.00 0.00 35.03 34.78 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 -3.80 0.00 -0.05 4.39 8.00 -1.26 -4.21 116.55 119.62 3dxj n ASP 685 Ca 0.07 0.15 0.04 0.00 0.71 0.00 0.00 54.79 55.75 3dxj n ASP 685 Cb 0.26 -0.16 0.07 0.00 -0.02 0.00 0.00 41.12 41.27 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 -1.05 -0.01 -0.16 -1.24 4.71 -1.26 -0.49 120.64 121.15 3dxj n GLU 686 Ca 0.00 0.22 -0.04 0.00 -0.01 0.00 0.00 57.16 57.33 3dxj n GLU 686 Cb 0.00 -0.37 -0.04 0.00 -1.01 0.00 0.00 31.44 30.02 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 -3.60 -0.25 0.22 2.62 0.31 -1.26 -0.27 118.33 116.10 3dxj n VAL 687 Ca 0.05 1.06 -0.17 0.00 -0.01 0.00 0.00 64.34 65.26 3dxj n VAL 687 Cb 0.16 -1.32 -0.09 0.00 -0.91 0.00 0.00 33.84 31.68 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 -1.39 -1.40 3.52 4.06 -1.03 0.80 115.95 120.52 3dxj h TRP 688 Ca 0.06 0.02 0.41 0.00 2.06 0.00 0.00 58.89 61.43 3dxj h TRP 688 Cb 0.15 0.56 -0.06 0.00 -1.00 0.00 0.00 29.16 28.81 3dxj h TRP 688 CO -0.48 -0.63 1.00 -0.44 -3.56 0.00 0.00 178.44 174.33 3dxj h ASP 689 N -0.89 0.02 0.16 -3.49 3.32 -0.80 0.35 116.42 115.10 3dxj h ASP 689 Ca -0.03 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 3dxj h ASP 689 Cb 0.81 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.37 3dxj h ASP 689 CO -0.15 -0.00 -0.08 0.00 -1.72 0.00 0.00 179.24 177.30 3dxj h ALA 690 N 1.31 -0.21 -0.94 3.45 0.00 0.62 -2.88 119.26 120.61 3dxj h ALA 690 Ca 0.67 -0.15 0.17 0.00 0.00 0.00 0.00 54.91 55.60 3dxj h ALA 690 Cb 2.65 0.08 -0.17 0.00 0.00 0.00 0.00 17.79 20.36 3dxj h ALA 690 CO -0.03 -0.23 -0.30 1.25 0.00 0.00 0.00 179.25 179.95 3dxj h LEU 691 N -1.00 -1.09 0.00 0.00 5.85 0.18 0.23 115.31 119.47 3dxj h LEU 691 Ca -0.02 0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.99 3dxj h LEU 691 Cb 0.37 0.65 0.00 0.00 0.37 0.00 0.00 40.66 42.04 3dxj h LEU 691 CO 0.04 -0.30 0.00 1.21 -0.34 0.00 0.00 178.44 179.04 3dxj n GLU 692 N -5.55 0.00 -0.12 1.25 0.00 0.48 -1.14 120.64 115.57 3dxj n GLU 692 Ca 0.12 0.74 -0.03 0.00 0.00 0.00 0.00 57.16 57.99 3dxj n GLU 692 Cb 0.44 -1.48 -0.03 0.00 0.00 0.00 0.00 31.44 30.37 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 -2.46 -0.13 -0.09 5.31 2.13 0.61 0.17 120.64 126.19 3dxj n GLU 693 Ca 0.00 0.53 -0.04 0.00 0.66 0.00 0.00 57.16 58.31 3dxj n GLU 693 Cb 0.00 -0.78 -0.03 0.00 0.27 0.00 0.00 31.44 30.90 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 -0.91 6.31 2.07 -0.21 -0.96 116.25 122.55 3dxj h VAL 694 Ca 0.05 0.00 0.32 0.00 0.82 0.00 0.00 66.70 67.89 3dxj h VAL 694 Cb 0.12 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 29.72 3dxj h VAL 694 CO -0.27 0.00 0.27 -0.38 0.02 0.00 0.00 177.57 177.21 3dxj n ILE 695 N -3.62 -0.38 -0.86 4.57 5.41 0.45 -4.75 119.36 120.17 3dxj n ILE 695 Ca -0.00 1.93 -0.34 0.00 1.00 0.00 0.00 62.75 65.34 3dxj n ILE 695 Cb 0.10 -2.98 -0.05 0.00 -0.71 0.00 0.00 39.64 36.00 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 -5.20 0.68 0.00 1.39 -0.00 -0.37 0.24 115.22 111.97 3dxj n HIS 696 Ca 0.28 0.58 0.00 0.00 0.46 0.00 0.00 57.72 59.05 3dxj n HIS 696 Cb 0.95 -1.14 0.00 0.00 -0.12 0.00 0.00 29.99 29.69 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 1.56 2.84 3.82 1.57 0.00 -1.26 -5.00 105.19 108.72 3dxj n GLY 697 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 3dxj n GLY 697 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dxj s LYS 698 N -0.06 2.39 0.04 1.61 1.02 0.14 -5.03 119.74 119.86 3dxj s LYS 698 Ca 0.00 0.69 -0.03 0.00 0.02 0.00 0.00 55.97 56.65 3dxj s LYS 698 Cb 0.00 -1.95 -0.02 0.00 -0.52 0.00 0.00 37.83 35.34 3dxj s LYS 698 CO 0.00 -1.42 0.04 0.14 -0.92 0.00 0.00 175.35 173.19 3dxj s VAL 699 N -3.16 0.16 0.34 3.17 -7.23 -1.26 -4.32 120.40 108.11 3dxj s VAL 699 Ca 0.60 -1.32 0.06 0.00 -1.81 0.00 0.00 61.98 59.51 3dxj s VAL 699 Cb -0.14 -1.04 -0.07 0.00 0.56 0.00 0.00 36.38 35.69 3dxj s VAL 699 CO 0.54 -0.73 -0.00 0.68 -0.31 0.00 0.00 175.10 175.28 3dxj s VAL 700 N -2.97 1.65 -0.02 1.32 -7.23 0.40 -4.62 120.40 108.94 3dxj s VAL 700 Ca -0.02 -2.05 -0.01 0.00 -1.81 0.00 0.00 61.98 58.09 3dxj s VAL 700 Cb 0.01 -2.75 -0.04 0.00 0.56 0.00 0.00 36.38 34.16 3dxj s VAL 700 CO -0.06 -0.10 0.08 -0.76 -0.31 0.00 0.00 175.10 173.94 3dxj s LEU 701 N -3.55 3.90 -0.09 1.32 1.43 -0.81 -1.13 118.68 119.75 3dxj s LEU 701 Ca 0.34 0.17 -0.00 0.00 -1.03 0.00 0.00 54.13 53.61 3dxj s LEU 701 Cb 0.07 -2.22 0.02 0.00 0.03 0.00 0.00 46.19 44.10 3dxj s LEU 701 CO 0.15 0.29 -0.07 -0.76 0.23 0.00 0.00 176.35 176.20 3dxj s LEU 702 N -1.60 1.15 -0.05 1.79 1.43 -1.05 -0.17 118.68 120.17 3dxj s LEU 702 Ca 0.21 -0.25 0.06 0.00 -1.03 0.00 0.00 54.13 53.12 3dxj s LEU 702 Cb -0.12 -0.74 -0.02 0.00 0.03 0.00 0.00 46.19 45.34 3dxj s LEU 702 CO 0.12 -0.11 -0.22 0.21 0.23 0.00 0.00 176.35 176.59 3dxj s ASN 703 N 1.55 3.39 -0.31 2.29 3.04 -0.70 -3.12 114.94 121.09 3dxj s ASN 703 Ca 0.01 -0.40 0.03 0.00 0.04 0.00 0.00 52.86 52.54 3dxj s ASN 703 Cb -0.13 -0.74 0.08 0.00 -1.54 0.00 0.00 41.25 38.92 3dxj s ASN 703 CO -0.05 0.29 -0.01 -0.60 -3.04 0.00 0.00 177.10 173.69 3dxj s ARG 704 N -0.42 1.69 0.49 0.43 3.00 -1.16 -1.59 118.95 121.40 3dxj s ARG 704 Ca 0.04 -1.62 -0.19 0.00 -1.00 0.00 0.00 55.73 52.96 3dxj s ARG 704 Cb -0.12 -3.01 -0.08 0.00 0.00 0.00 0.00 34.95 31.74 3dxj s ARG 704 CO 0.01 -0.80 1.01 0.00 0.00 0.00 0.00 175.30 175.52 3dxj s ALA 705 N 1.03 2.94 0.16 6.12 0.00 -1.26 -3.77 121.76 126.97 3dxj s ALA 705 Ca 0.04 0.43 -0.30 0.00 0.00 0.00 0.00 51.96 52.13 3dxj s ALA 705 Cb -0.19 -3.19 -0.07 0.00 0.00 0.00 0.00 23.12 19.66 3dxj s ALA 705 CO -0.08 -0.25 1.02 -2.14 0.00 0.00 0.00 175.76 174.31 3dxj s PRO 706 N -3.51 4.67 -0.66 0.00 0.02 -1.26 -5.06 135.00 129.20 3dxj s PRO 706 Ca 0.64 1.58 -0.26 0.00 0.02 0.00 0.00 61.00 62.97 3dxj s PRO 706 Cb -0.13 -3.32 0.04 0.00 0.02 0.00 0.00 34.50 31.11 3dxj s PRO 706 CO 0.23 0.19 1.14 0.99 -0.33 0.00 0.00 177.00 179.22 3dxj s THR 707 N -0.25 4.02 -0.32 0.99 2.01 -1.25 -4.88 115.64 115.96 3dxj s THR 707 Ca 0.47 0.33 0.23 0.00 0.31 0.00 0.00 61.69 63.03 3dxj s THR 707 Cb -0.26 -4.77 -0.08 0.00 0.01 0.00 0.00 72.50 67.40 3dxj s THR 707 CO 0.32 -1.55 0.97 0.18 -0.69 0.00 0.00 174.62 173.86 3dxj n LEU 708 N 8.52 0.64 -3.63 4.42 4.77 -1.26 -4.95 117.00 125.53 3dxj n LEU 708 Ca 0.02 0.19 -0.13 0.00 -0.03 0.00 0.00 56.01 56.07 3dxj n LEU 708 Cb 0.48 -0.07 -0.06 0.00 -2.33 0.00 0.00 43.42 41.44 3dxj n LEU 708 CO 0.68 -0.09 0.20 -1.38 -1.33 0.00 0.00 177.39 175.47 3dxj s HIS 709 N -3.33 -0.32 0.49 -1.77 -3.43 -1.26 -3.91 115.29 101.76 3dxj s HIS 709 Ca -0.00 0.27 0.43 0.00 -0.80 0.00 0.00 55.06 54.95 3dxj s HIS 709 Cb 0.12 0.27 1.57 0.00 -1.43 0.00 0.00 32.58 33.11 3dxj s HIS 709 CO 0.81 -0.62 1.46 2.89 -2.00 0.00 0.00 174.74 177.28 3dxj n ARG 710 N 0.36 -0.01 0.00 -0.38 1.85 -1.26 0.85 116.66 118.07 3dxj n ARG 710 Ca -0.18 1.06 0.09 0.00 -1.00 0.00 0.00 57.85 57.82 3dxj n ARG 710 Cb 0.61 -2.34 0.49 0.00 -1.05 0.00 0.00 32.46 30.16 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 -4.01 0.00 -0.09 2.89 4.32 -1.26 -3.02 117.00 115.82 3dxj n LEU 711 Ca 0.41 0.25 0.00 0.00 -0.02 0.00 0.00 56.01 56.65 3dxj n LEU 711 Cb 1.79 -0.25 0.00 0.00 -1.62 0.00 0.00 43.42 43.34 3dxj n LEU 711 CO 0.35 -0.09 0.23 0.61 -1.22 0.00 0.00 177.39 177.27 3dxj n GLY 712 N 0.30 -0.27 3.53 -0.72 0.00 0.25 -4.37 105.19 103.90 3dxj n GLY 712 Ca 0.10 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.81 -0.00 0.31 -0.61 1.01 -1.17 -2.98 121.20 115.95 3dxj s ILE 713 Ca 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 60.65 60.64 3dxj s ILE 713 Cb 0.00 -0.87 -0.01 0.00 0.01 0.00 0.00 42.46 41.59 3dxj s ILE 713 CO 0.00 0.01 0.41 -1.10 0.00 0.00 0.00 174.94 174.26 3dxj s GLN 714 N 1.00 1.77 0.10 2.79 -0.21 -1.18 -5.00 119.66 118.94 3dxj s GLN 714 Ca -0.05 -1.72 0.10 0.00 0.02 0.00 0.00 55.36 53.71 3dxj s GLN 714 Cb -0.05 0.41 -0.04 0.00 1.00 0.00 0.00 33.01 34.33 3dxj s GLN 714 CO -0.09 -0.71 -0.24 0.00 -2.12 0.00 0.00 175.29 172.12 3dxj s ALA 715 N -3.34 2.44 0.07 6.09 0.00 -0.60 -2.54 121.76 123.88 3dxj s ALA 715 Ca 0.32 -1.38 -0.18 0.00 0.00 0.00 0.00 51.96 50.72 3dxj s ALA 715 Cb 0.01 -0.49 0.04 0.00 0.00 0.00 0.00 23.12 22.68 3dxj s ALA 715 CO 0.19 0.55 0.42 -0.06 0.00 0.00 0.00 175.76 176.86 3dxj s PHE 716 N -1.02 -0.27 -0.48 0.00 0.40 -0.28 -1.93 117.98 114.40 3dxj s PHE 716 Ca 0.14 0.15 -0.20 0.00 -0.60 0.00 0.00 56.93 56.43 3dxj s PHE 716 Cb -0.10 0.25 0.04 0.00 0.51 0.00 0.00 43.02 43.72 3dxj s PHE 716 CO 0.06 -0.62 0.63 -0.65 0.70 0.00 0.00 175.22 175.34 3dxj s GLN 717 N -2.87 3.17 0.59 0.44 -0.21 -0.86 0.15 119.66 120.07 3dxj s GLN 717 Ca -0.03 -0.70 -0.17 0.00 0.02 0.00 0.00 55.36 54.48 3dxj s GLN 717 Cb 0.00 -4.04 -0.04 0.00 1.00 0.00 0.00 33.01 29.93 3dxj s GLN 717 CO -0.05 -1.15 1.11 -1.25 -2.12 0.00 0.00 175.29 171.83 3dxj s PRO 718 N 2.72 3.18 -0.04 2.91 0.04 -1.26 -3.53 135.00 139.02 3dxj s PRO 718 Ca 0.18 1.47 0.06 0.00 0.04 0.00 0.00 61.00 62.75 3dxj s PRO 718 Cb -0.17 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.35 3dxj s PRO 718 CO 0.14 -0.97 -0.20 0.08 0.04 0.00 0.00 177.00 176.09 3dxj s VAL 719 N -2.06 2.52 -0.24 -0.36 1.01 0.65 -4.88 120.40 117.05 3dxj s VAL 719 Ca 0.69 -0.93 -0.29 0.00 0.00 0.00 0.00 61.98 61.46 3dxj s VAL 719 Cb -0.21 -1.94 -0.01 0.00 0.00 0.00 0.00 36.38 34.22 3dxj s VAL 719 CO 0.33 0.58 1.44 -0.76 0.00 0.00 0.00 175.10 176.69 3dxj s LEU 720 N -0.61 3.95 0.06 3.92 1.43 -1.26 0.11 118.68 126.27 3dxj s LEU 720 Ca 0.09 1.49 0.09 0.00 -1.03 0.00 0.00 54.13 54.77 3dxj s LEU 720 Cb -0.11 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.55 3dxj s LEU 720 CO 0.00 -1.10 -0.24 0.68 0.23 0.00 0.00 176.35 175.92 3dxj s VAL 721 N 4.57 1.97 0.86 -1.59 -7.23 0.64 -4.82 120.40 114.80 3dxj s VAL 721 Ca 0.63 -1.39 -0.12 0.00 -1.81 0.00 0.00 61.98 59.30 3dxj s VAL 721 Cb -0.21 -1.71 0.11 0.00 0.56 0.00 0.00 36.38 35.13 3dxj s VAL 721 CO 0.25 0.25 1.10 -1.61 -0.31 0.00 0.00 175.10 174.77 3dxj s GLU 722 N -1.38 1.55 0.00 4.82 0.41 -1.26 -2.84 118.70 120.00 3dxj s GLU 722 Ca 0.10 0.70 0.00 0.00 -0.41 0.00 0.00 54.97 55.36 3dxj s GLU 722 Cb -0.10 -1.85 0.00 0.00 -1.78 0.00 0.00 34.13 30.40 3dxj s GLU 722 CO 0.03 -2.01 0.00 0.41 -0.49 0.00 0.00 175.26 173.20 3dxj n GLY 723 N -1.59 -2.38 2.48 -1.39 0.00 -1.26 -4.61 105.19 96.43 3dxj n GLY 723 Ca 0.07 -1.11 -0.15 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.17 1.60 -3.89 1.61 10.64 -1.26 -4.43 117.38 121.49 3dxj n GLN 724 Ca 0.00 -1.06 -0.09 0.00 -1.83 0.00 0.00 57.00 54.02 3dxj n GLN 724 Cb 0.00 -2.16 -0.08 0.00 -0.86 0.00 0.00 30.24 27.13 3dxj n GLN 724 CO 0.00 0.00 0.00 -1.12 -1.83 0.00 0.00 177.06 174.11 3dxj s SER 725 N 3.10 0.15 -0.42 2.61 0.01 -1.26 -4.65 113.70 113.24 3dxj s SER 725 Ca 0.36 -0.59 -0.10 0.00 1.31 0.00 0.00 55.95 56.94 3dxj s SER 725 Cb 0.12 0.29 0.07 0.00 0.21 0.00 0.00 66.02 66.72 3dxj s SER 725 CO -0.02 -0.63 0.27 -0.63 0.41 0.00 0.00 173.24 172.64 3dxj s ILE 726 N -3.27 4.37 -0.04 1.44 1.01 0.15 -3.83 121.20 121.02 3dxj s ILE 726 Ca 0.01 -1.31 -0.30 0.00 0.00 0.00 0.00 60.65 59.05 3dxj s ILE 726 Cb 0.02 -3.64 -0.05 0.00 0.01 0.00 0.00 42.46 38.80 3dxj s ILE 726 CO -0.08 -0.49 1.48 -1.10 0.00 0.00 0.00 174.94 174.75 3dxj s GLN 727 N 1.46 4.23 -0.09 2.79 -0.21 -1.09 0.19 119.66 126.94 3dxj s GLN 727 Ca 0.03 2.01 0.04 0.00 0.02 0.00 0.00 55.36 57.46 3dxj s GLN 727 Cb -0.23 -3.74 -0.00 0.00 1.00 0.00 0.00 33.01 30.04 3dxj s GLN 727 CO 0.03 -0.70 -0.23 -1.17 -2.12 0.00 0.00 175.29 171.10 3dxj s LEU 728 N 3.14 2.04 0.46 2.90 2.96 1.91 -0.42 118.68 131.67 3dxj s LEU 728 Ca 0.66 -0.52 -0.25 0.00 -0.22 0.00 0.00 54.13 53.80 3dxj s LEU 728 Cb -0.31 -1.34 -0.08 0.00 0.50 0.00 0.00 46.19 44.96 3dxj s LEU 728 CO 0.26 0.16 1.41 1.57 -1.32 0.00 0.00 176.35 178.43 3dxj n HIS 729 N 3.47 2.61 0.11 5.38 -0.00 -1.26 0.12 115.22 125.65 3dxj n HIS 729 Ca -0.19 0.44 -0.12 0.00 -0.00 0.00 0.00 57.72 57.86 3dxj n HIS 729 Cb 0.53 -2.44 -0.07 0.00 -0.00 0.00 0.00 29.99 28.00 3dxj n HIS 729 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 3dxj h PRO 730 N 2.18 -0.32 0.00 1.57 0.13 -1.93 -3.32 132.00 130.31 3dxj h PRO 730 Ca -0.51 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3dxj h PRO 730 Cb 1.28 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.48 3dxj h PRO 730 CO 0.60 0.04 0.86 -0.07 -0.23 0.00 0.00 178.00 179.20 3dxj h LEU 731 N -0.86 0.00 -0.13 1.56 3.38 -1.93 0.54 115.31 117.87 3dxj h LEU 731 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3dxj h LEU 731 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3dxj h LEU 731 CO 0.06 0.00 -0.88 1.33 0.09 0.00 0.00 178.44 179.03 3dxj n VAL 732 N -2.45 0.00 0.23 1.22 0.24 -1.25 -3.90 118.33 112.42 3dxj n VAL 732 Ca -0.00 -0.03 0.14 0.00 -2.04 0.00 0.00 64.34 62.40 3dxj n VAL 732 Cb 0.86 0.96 0.75 0.00 -1.47 0.00 0.00 33.84 34.95 3dxj n VAL 732 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3dxj n GLU 734 N -2.52 0.00 -0.11 0.00 -0.58 -1.25 -2.10 120.64 114.07 3dxj n GLU 734 Ca -0.02 0.04 -0.11 0.00 -0.42 0.00 0.00 57.16 56.65 3dxj n GLU 734 Cb 0.13 -0.64 -0.06 0.00 -0.57 0.00 0.00 31.44 30.30 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 -2.21 -0.52 0.00 0.62 0.00 -1.71 -0.40 119.26 115.03 3dxj h ALA 735 Ca 0.00 0.04 -0.57 0.00 0.00 0.00 0.00 54.91 54.38 3dxj h ALA 735 Cb 0.00 0.92 0.03 0.00 0.00 0.00 0.00 17.79 18.74 3dxj h ALA 735 CO 0.00 -0.91 2.62 1.19 0.00 0.00 0.00 179.25 182.15 3dxj n PHE 736 N -5.41 1.96 -1.49 0.00 3.01 0.44 -4.69 117.46 111.27 3dxj n PHE 736 Ca -0.02 -2.10 -0.42 0.00 1.01 0.00 0.00 57.45 55.92 3dxj n PHE 736 Cb 0.35 -1.86 -0.12 0.00 -0.01 0.00 0.00 39.48 37.85 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 5.93 0.83 -3.64 4.37 5.15 -0.16 -4.42 115.26 123.32 3dxj n ASN 737 Ca 0.50 0.09 -0.05 0.00 -0.60 0.00 0.00 54.58 54.52 3dxj n ASN 737 Cb 0.30 -1.07 -0.07 0.00 -0.53 0.00 0.00 39.78 38.41 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 9.33 -2.14 0.30 5.20 0.00 -1.15 -5.02 121.76 128.29 3dxj s ALA 738 Ca 1.26 1.74 0.01 0.00 0.00 0.00 0.00 51.96 54.98 3dxj s ALA 738 Cb -1.04 -1.63 0.01 0.00 0.00 0.00 0.00 23.12 20.46 3dxj s ALA 738 CO 0.46 -0.15 0.12 -0.40 0.00 0.00 0.00 175.76 175.78 3dxj n ASP 739 N 1.66 2.39 -2.77 0.00 5.68 -1.26 -4.73 116.55 117.51 3dxj n ASP 739 Ca -0.10 -2.18 -0.33 0.00 -0.50 0.00 0.00 54.79 51.69 3dxj n ASP 739 Cb 0.57 0.09 0.01 0.00 -1.14 0.00 0.00 41.12 40.65 3dxj n ASP 739 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 3dxj n PHE 740 N -0.99 3.28 1.14 2.11 3.01 -1.26 -3.95 117.46 120.81 3dxj n PHE 740 Ca -0.07 -2.89 0.12 0.00 1.01 0.00 0.00 57.45 55.63 3dxj n PHE 740 Cb 0.36 -0.60 0.22 0.00 -0.01 0.00 0.00 39.48 39.45 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 -0.44 1.44 0.00 4.37 5.75 -1.26 -4.79 116.55 121.62 3dxj n ASP 741 Ca 0.44 -1.15 0.00 0.00 -0.01 0.00 0.00 54.79 54.07 3dxj n ASP 741 Cb 0.45 0.28 0.00 0.00 -1.03 0.00 0.00 41.12 40.82 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 1.37 -0.80 3.77 6.12 0.00 -1.26 -5.14 105.19 109.26 3dxj n GLY 742 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 3dxj n GLY 742 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dxj s ASP 743 N 0.00 6.73 0.10 1.61 1.01 -1.25 -4.92 116.67 119.95 3dxj s ASP 743 Ca 0.00 2.53 0.08 0.00 0.71 0.00 0.00 52.55 55.86 3dxj s ASP 743 Cb 0.00 -2.64 -0.04 0.00 1.01 0.00 0.00 42.92 41.26 3dxj s ASP 743 CO 0.00 -0.54 -0.15 -1.10 0.21 0.00 0.00 175.17 173.59 3dxj s GLN 744 N -1.92 1.96 0.02 8.23 -0.21 -1.26 -1.71 119.66 124.77 3dxj s GLN 744 Ca 0.51 -1.08 0.08 0.00 0.02 0.00 0.00 55.36 54.88 3dxj s GLN 744 Cb -0.36 -2.20 -0.02 0.00 1.00 0.00 0.00 33.01 31.43 3dxj s GLN 744 CO 0.47 0.50 -0.23 -1.64 -2.12 0.00 0.00 175.29 172.27 3dxj s MET 745 N -2.04 1.66 0.35 2.91 -1.94 0.10 -4.74 119.30 115.60 3dxj s MET 745 Ca 0.19 -0.91 -0.00 0.00 -1.71 0.00 0.00 55.69 53.25 3dxj s MET 745 Cb -0.11 -1.71 -0.03 0.00 2.01 0.00 0.00 34.83 34.99 3dxj s MET 745 CO 0.11 0.45 0.56 0.00 -0.01 0.00 0.00 175.02 176.12 3dxj s ALA 746 N -0.68 3.68 0.03 3.03 0.00 -0.62 -1.33 121.76 125.87 3dxj s ALA 746 Ca 0.09 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.20 3dxj s ALA 746 Cb -0.09 -2.14 -0.02 0.00 0.00 0.00 0.00 23.12 20.87 3dxj s ALA 746 CO 0.01 -0.02 -0.09 0.54 0.00 0.00 0.00 175.76 176.20 3dxj s VAL 747 N -2.32 0.64 0.29 0.00 0.11 -0.18 -1.72 120.40 117.23 3dxj s VAL 747 Ca 0.40 -0.78 0.08 0.00 -2.93 0.00 0.00 61.98 58.75 3dxj s VAL 747 Cb -0.10 -0.63 -0.06 0.00 -1.53 0.00 0.00 36.38 34.07 3dxj s VAL 747 CO 0.36 -0.12 -0.08 -1.00 -3.33 0.00 0.00 175.10 170.92 3dxj s HIS 748 N -0.84 2.09 -0.37 1.54 3.76 0.76 -1.69 115.29 120.54 3dxj s HIS 748 Ca -0.03 -0.61 0.01 0.00 -0.15 0.00 0.00 55.06 54.28 3dxj s HIS 748 Cb -0.07 -1.16 0.12 0.00 1.11 0.00 0.00 32.58 32.58 3dxj s HIS 748 CO 0.00 0.40 0.18 0.08 -0.85 0.00 0.00 174.74 174.55 3dxj s VAL 749 N -2.86 1.00 -0.29 -0.90 1.01 -0.31 -1.91 120.40 116.13 3dxj s VAL 749 Ca 0.30 -1.95 -0.28 0.00 0.00 0.00 0.00 61.98 60.05 3dxj s VAL 749 Cb 0.02 -1.73 -0.03 0.00 0.00 0.00 0.00 36.38 34.65 3dxj s VAL 749 CO 0.13 -0.82 1.95 -2.16 0.00 0.00 0.00 175.10 174.20 3dxj s PRO 750 N 0.98 3.25 0.00 2.72 0.04 -1.26 -4.86 135.00 135.87 3dxj s PRO 750 Ca 0.14 1.63 0.00 0.00 0.04 0.00 0.00 61.00 62.81 3dxj s PRO 750 Cb -0.21 -4.26 0.00 0.00 0.04 0.00 0.00 34.50 30.06 3dxj s PRO 750 CO -0.10 -1.96 0.27 1.28 0.04 0.00 0.00 177.00 176.53 3dxj n LEU 751 N 10.85 0.39 -4.58 -3.56 4.77 -1.26 -4.35 117.00 119.25 3dxj n LEU 751 Ca 0.25 0.56 -0.42 0.00 -0.03 0.00 0.00 56.01 56.37 3dxj n LEU 751 Cb 0.46 -0.41 0.01 0.00 -2.33 0.00 0.00 43.42 41.15 3dxj n LEU 751 CO 0.68 -0.41 0.49 -1.54 -1.33 0.00 0.00 177.39 175.28 3dxj n SER 752 N -1.72 0.89 0.33 -1.43 3.41 -1.26 -4.62 113.62 109.22 3dxj n SER 752 Ca 0.00 1.03 0.19 0.00 -0.26 0.00 0.00 58.87 59.84 3dxj n SER 752 Cb 0.00 -1.30 1.02 0.00 -0.26 0.00 0.00 64.21 63.67 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 1.47 0.00 0.00 4.04 0.02 -1.98 0.66 113.55 117.76 3dxj h SER 753 Ca -0.43 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.50 3dxj h SER 753 Cb 1.35 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.89 3dxj h SER 753 CO 0.56 0.00 -0.16 0.15 -1.14 0.00 0.00 176.83 176.24 3dxj h PHE 754 N 0.00 0.00 -0.31 3.45 -0.00 -1.98 -2.34 116.94 115.76 3dxj h PHE 754 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 57.97 58.01 3dxj h PHE 754 Cb 0.28 0.00 -0.03 0.00 -0.00 0.00 0.00 35.95 36.20 3dxj h PHE 754 CO 0.00 0.56 0.10 0.00 -0.00 0.00 0.00 178.31 178.97 3dxj h ALA 755 N -0.53 0.35 -0.45 2.41 0.00 -1.63 -1.28 119.26 118.12 3dxj h ALA 755 Ca -0.03 0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.01 3dxj h ALA 755 Cb 0.59 0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.31 3dxj h ALA 755 CO -0.02 -0.30 -0.25 0.37 0.00 0.00 0.00 179.25 179.05 3dxj h GLN 756 N 0.23 -0.15 0.00 0.00 5.75 0.17 -1.57 115.11 119.54 3dxj h GLN 756 Ca 0.14 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.65 3dxj h GLN 756 Cb 0.12 0.03 0.00 0.00 1.07 0.00 0.00 27.48 28.70 3dxj h GLN 756 CO -0.15 -0.10 0.00 0.00 -2.65 0.00 0.00 178.83 175.93 3dxj n ALA 757 N -2.98 -0.10 -0.25 3.38 0.00 -0.55 -0.56 120.51 119.45 3dxj n ALA 757 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.46 3dxj n ALA 757 Cb 0.32 0.20 0.02 0.00 0.00 0.00 0.00 19.45 20.00 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 -1.59 -0.15 -0.02 0.00 1.02 -0.78 0.11 120.64 119.23 3dxj n GLU 758 Ca 0.00 0.99 -0.11 0.00 -0.02 0.00 0.00 57.16 58.02 3dxj n GLU 758 Cb 0.00 -1.47 -0.05 0.00 -0.02 0.00 0.00 31.44 29.90 3dxj n GLU 758 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3dxj h ALA 759 N 0.88 -0.49 -0.08 0.62 0.00 -0.70 0.18 119.26 119.67 3dxj h ALA 759 Ca 0.22 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 3dxj h ALA 759 Cb 0.38 0.74 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 3dxj h ALA 759 CO -0.64 -0.87 0.03 0.00 0.00 0.00 0.00 179.25 177.77 3dxj h ARG 760 N -0.44 0.13 0.00 0.00 3.08 0.33 0.26 114.38 117.74 3dxj h ARG 760 Ca 0.09 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.11 3dxj h ARG 760 Cb 0.60 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.63 3dxj h ARG 760 CO -0.41 0.29 0.00 -0.89 -1.07 0.00 0.00 179.97 177.90 3dxj n ILE 761 N -4.91 0.00 1.16 2.04 5.41 0.23 -2.76 119.36 120.54 3dxj n ILE 761 Ca -0.06 0.82 0.14 0.00 1.00 0.00 0.00 62.75 64.65 3dxj n ILE 761 Cb 0.13 -1.70 0.61 0.00 -0.71 0.00 0.00 39.64 37.97 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 -0.43 0.20 -0.00 0.38 10.64 0.59 -3.97 117.38 124.79 3dxj n GLN 762 Ca 0.00 -0.03 0.05 0.00 -1.83 0.00 0.00 57.00 55.19 3dxj n GLN 762 Cb 0.00 -1.50 -0.07 0.00 -0.86 0.00 0.00 30.24 27.81 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 -1.37 1.92 -1.67 2.61 2.81 -0.71 -4.93 117.12 115.78 3dxj n MET 763 Ca 0.10 -0.05 -0.47 0.00 -1.81 0.00 0.00 57.70 55.47 3dxj n MET 763 Cb 0.31 -1.14 -0.04 0.00 -0.71 0.00 0.00 33.22 31.63 3dxj n MET 763 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 3dxj n LEU 764 N -1.56 3.05 -0.05 4.03 7.94 0.84 -1.56 117.00 129.69 3dxj n LEU 764 Ca 0.00 1.06 -0.01 0.00 -1.11 0.00 0.00 56.01 55.95 3dxj n LEU 764 Cb 0.23 -1.40 -0.01 0.00 0.53 0.00 0.00 43.42 42.77 3dxj n LEU 764 CO 0.23 -0.30 0.48 -1.54 -1.11 0.00 0.00 177.39 175.15 3dxj n SER 765 N 3.98 -0.13 -0.45 1.96 3.41 -0.82 -0.60 113.62 120.97 3dxj n SER 765 Ca 0.18 1.06 0.00 0.00 -0.26 0.00 0.00 58.87 59.85 3dxj n SER 765 Cb 0.28 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 3dxj n SER 765 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dxj n ALA 766 N -3.01 0.96 -0.13 7.33 0.00 -1.26 -0.18 120.51 124.22 3dxj n ALA 766 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3dxj n ALA 766 Cb 0.03 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 0.37 0.00 -3.21 0.00 8.25 0.23 -4.80 115.22 116.06 3dxj n HIS 767 Ca 0.00 -0.35 -0.20 0.00 -0.26 0.00 0.00 57.72 56.91 3dxj n HIS 767 Cb 0.00 -0.03 -0.07 0.00 1.12 0.00 0.00 29.99 31.01 3dxj n HIS 767 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3dxj n ASN 768 N -0.35 -1.37 -0.09 0.41 3.02 0.74 -4.93 115.26 112.70 3dxj n ASN 768 Ca 0.00 -2.53 -0.11 0.00 -0.03 0.00 0.00 54.58 51.91 3dxj n ASN 768 Cb 0.23 0.12 -0.15 0.00 -0.61 0.00 0.00 39.78 39.38 3dxj n ASN 768 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3dxj n LEU 769 N 2.87 0.57 -4.75 3.41 4.32 -1.26 -4.70 117.00 117.46 3dxj n LEU 769 Ca 0.26 0.03 -0.37 0.00 -0.02 0.00 0.00 56.01 55.91 3dxj n LEU 769 Cb 0.50 0.23 -0.06 0.00 -1.62 0.00 0.00 43.42 42.47 3dxj n LEU 769 CO 0.05 0.56 0.08 -0.76 -1.22 0.00 0.00 177.39 176.10 3dxj s LEU 770 N -5.73 4.31 -0.06 2.23 1.43 -1.23 0.44 118.68 120.06 3dxj s LEU 770 Ca -0.13 0.73 -0.30 0.00 -1.03 0.00 0.00 54.13 53.40 3dxj s LEU 770 Cb 0.07 -2.54 -0.06 0.00 0.03 0.00 0.00 46.19 43.69 3dxj s LEU 770 CO 0.80 0.11 1.74 -0.55 0.23 0.00 0.00 176.35 178.68 3dxj s SER 771 N 0.17 6.53 0.44 2.29 0.15 0.26 -4.21 113.70 119.33 3dxj s SER 771 Ca 0.22 2.24 0.28 0.00 0.70 0.00 0.00 55.95 59.39 3dxj s SER 771 Cb -0.15 -2.53 1.55 0.00 -1.71 0.00 0.00 66.02 63.18 3dxj s SER 771 CO 0.08 -1.04 1.86 -0.65 1.20 0.00 0.00 173.24 174.70 3dxj h PRO 772 N 10.17 0.00 0.02 5.44 0.11 -1.89 1.17 132.00 147.01 3dxj h PRO 772 Ca -0.41 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.70 3dxj h PRO 772 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3dxj h PRO 772 CO 0.96 0.00 -0.01 0.00 -0.21 0.00 0.00 178.00 178.74 3dxj h ALA 773 N 1.90 -0.02 0.00 -0.75 0.00 -1.89 -3.41 119.26 115.09 3dxj h ALA 773 Ca 0.00 -0.35 -0.33 0.00 0.00 0.00 0.00 54.91 54.23 3dxj h ALA 773 Cb 0.08 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 3dxj h ALA 773 CO 0.00 -0.04 -2.26 -1.13 0.00 0.00 0.00 179.25 175.83 3dxj n SER 774 N -4.69 1.42 0.00 0.00 3.41 -1.08 -2.12 113.62 110.55 3dxj n SER 774 Ca -0.07 -0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.48 3dxj n SER 774 Cb 0.34 0.30 0.00 0.00 -0.26 0.00 0.00 64.21 64.58 3dxj n SER 774 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dxj n GLY 775 N 2.16 1.17 3.84 5.00 0.00 0.40 -4.74 105.19 113.02 3dxj n GLY 775 Ca -0.35 -0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.08 3.13 -0.15 1.61 0.41 -1.24 -4.72 118.70 116.65 3dxj s GLU 776 Ca 0.00 -0.62 -0.34 0.00 -0.41 0.00 0.00 54.97 53.60 3dxj s GLU 776 Cb 0.00 -2.85 -0.11 0.00 -1.78 0.00 0.00 34.13 29.39 3dxj s GLU 776 CO 0.00 0.57 1.96 -2.30 -0.49 0.00 0.00 175.26 174.99 3dxj n PRO 777 N 0.20 1.94 -0.08 0.39 -0.02 -1.26 0.88 135.00 137.05 3dxj n PRO 777 Ca -0.07 0.68 -0.13 0.00 -2.02 0.00 0.00 63.50 61.96 3dxj n PRO 777 Cb 0.52 -2.65 -0.09 0.00 -0.02 0.00 0.00 33.50 31.27 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 10.15 0.00 -8.46 2.45 5.85 0.87 -3.42 115.31 122.75 3dxj h LEU 778 Ca -0.45 -0.53 -0.59 0.00 0.84 0.00 0.00 57.88 57.15 3dxj h LEU 778 Cb 1.28 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 42.20 3dxj h LEU 778 CO 0.96 1.06 0.74 0.00 -0.34 0.00 0.00 178.44 180.86 3dxj s ALA 779 N -2.39 3.05 0.14 1.25 0.00 -0.69 -4.70 121.76 118.41 3dxj s ALA 779 Ca -0.19 -1.24 -0.13 0.00 0.00 0.00 0.00 51.96 50.41 3dxj s ALA 779 Cb 0.01 -3.91 0.01 0.00 0.00 0.00 0.00 23.12 19.24 3dxj s ALA 779 CO 0.48 -2.65 0.35 -1.59 0.00 0.00 0.00 175.76 172.36 3dxj s LYS 780 N 4.49 1.11 -0.21 0.00 -2.85 -1.26 -4.98 119.74 116.05 3dxj s LYS 780 Ca 0.33 -0.91 -0.41 0.00 -1.00 0.00 0.00 55.97 53.98 3dxj s LYS 780 Cb -0.11 0.43 -0.17 0.00 -2.06 0.00 0.00 37.83 35.92 3dxj s LYS 780 CO 0.19 -0.42 1.56 -2.30 0.10 0.00 0.00 175.35 174.47 3dxj n PRO 781 N -0.21 0.81 -0.02 1.78 -0.02 -1.26 -4.86 135.00 131.22 3dxj n PRO 781 Ca -0.12 0.30 -0.03 0.00 -2.02 0.00 0.00 63.50 61.63 3dxj n PRO 781 Cb 0.63 -1.92 -0.01 0.00 -0.02 0.00 0.00 33.50 32.19 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 4.07 0.63 0.00 2.55 7.64 -1.26 -4.77 113.62 122.47 3dxj n SER 782 Ca 0.25 0.10 0.00 0.00 1.01 0.00 0.00 58.87 60.23 3dxj n SER 782 Cb 0.10 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.81 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 -3.13 0.00 -0.35 1.43 1.74 -1.26 -4.62 116.66 110.47 3dxj n ARG 783 Ca -0.04 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.15 3dxj n ARG 783 Cb 0.15 0.00 0.23 0.00 -1.02 0.00 0.00 32.46 31.81 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 -0.67 -0.17 0.55 5.19 -1.95 0.83 116.42 120.20 3dxj h ASP 784 Ca 0.00 0.29 0.02 0.00 -0.62 0.00 0.00 57.03 56.72 3dxj h ASP 784 Cb 0.00 0.54 -0.04 0.00 0.18 0.00 0.00 39.33 40.01 3dxj h ASP 784 CO 0.00 -0.35 -0.28 0.40 -3.12 0.00 0.00 179.24 175.89 3dxj h ILE 785 N 0.00 0.00 -0.74 0.35 2.04 -1.89 0.12 117.51 117.39 3dxj h ILE 785 Ca 0.55 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.55 3dxj h ILE 785 Cb 1.03 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.97 3dxj h ILE 785 CO -0.97 0.00 -0.23 0.40 0.00 0.00 0.00 178.15 177.35 3dxj h ILE 786 N -0.23 0.21 0.00 -0.67 2.04 0.26 -2.60 117.51 116.53 3dxj h ILE 786 Ca 0.03 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.89 3dxj h ILE 786 Cb 0.31 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 3dxj h ILE 786 CO -0.28 0.00 0.00 -0.11 0.00 0.00 0.00 178.15 177.76 3dxj n LEU 787 N -5.49 0.00 -0.14 1.44 7.94 0.57 -1.79 117.00 119.54 3dxj n LEU 787 Ca 0.09 0.42 -0.01 0.00 -1.11 0.00 0.00 56.01 55.40 3dxj n LEU 787 Cb 0.38 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.34 3dxj n LEU 787 CO -0.02 0.00 0.20 0.61 -1.11 0.00 0.00 177.39 177.07 3dxj n GLY 788 N -0.65 -0.76 0.00 -3.96 0.00 0.11 -1.86 105.19 98.08 3dxj n GLY 788 Ca 0.00 0.39 0.00 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 -4.49 0.00 -0.29 0.99 4.77 -1.00 -3.06 117.00 113.91 3dxj n LEU 789 Ca 0.03 0.77 0.02 0.00 -0.03 0.00 0.00 56.01 56.79 3dxj n LEU 789 Cb 0.13 -0.27 0.07 0.00 -2.33 0.00 0.00 43.42 41.02 3dxj n LEU 789 CO -0.05 -0.27 0.49 0.00 -1.33 0.00 0.00 177.39 176.23 3dxj n TYR 790 N -1.55 0.15 -0.29 -1.77 4.19 -0.74 0.33 117.16 117.48 3dxj n TYR 790 Ca 0.00 0.97 0.09 0.00 3.31 0.00 0.00 57.90 62.26 3dxj n TYR 790 Cb 0.00 -0.87 0.21 0.00 0.49 0.00 0.00 39.34 39.17 3dxj n TYR 790 CO 0.00 0.00 0.00 -0.92 0.91 0.00 0.00 176.86 176.85 3dxj h TYR 791 N 0.00 -0.04 0.05 2.98 3.20 -1.38 0.27 116.97 122.05 3dxj h TYR 791 Ca 0.32 0.06 -0.23 0.00 3.14 0.00 0.00 58.73 62.02 3dxj h TYR 791 Cb 0.52 0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.93 3dxj h TYR 791 CO -0.65 -0.31 -1.08 -0.84 -1.64 0.00 0.00 178.16 173.64 3dxj h ILE 792 N 0.08 1.62 -0.05 1.81 3.07 -0.04 -3.19 117.51 120.81 3dxj h ILE 792 Ca 0.49 -3.21 -0.02 0.00 1.55 0.00 0.00 64.86 63.67 3dxj h ILE 792 Cb 0.92 2.85 -0.01 0.00 -0.27 0.00 0.00 36.82 40.30 3dxj h ILE 792 CO -0.77 0.93 0.03 0.35 -1.05 0.00 0.00 178.15 177.63 3dxj n THR 793 N -3.45 0.83 -4.49 0.16 -2.24 0.86 -3.78 114.28 102.18 3dxj n THR 793 Ca -0.04 -0.10 -0.23 0.00 -2.27 0.00 0.00 64.05 61.41 3dxj n THR 793 Cb 0.96 -0.83 -0.11 0.00 -2.10 0.00 0.00 70.33 68.26 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 -0.46 1.70 0.23 -0.78 2.00 -0.69 -3.00 119.66 118.65 3dxj s GLN 794 Ca 0.03 -1.91 0.00 0.00 -2.00 0.00 0.00 55.36 51.48 3dxj s GLN 794 Cb 0.03 -1.22 -0.04 0.00 0.80 0.00 0.00 33.01 32.57 3dxj s GLN 794 CO 0.01 -0.04 0.13 0.14 -0.50 0.00 0.00 175.29 175.02 3dxj s VAL 795 N -3.00 0.15 0.46 1.34 -7.23 -1.26 -3.90 120.40 106.96 3dxj s VAL 795 Ca 0.33 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.57 3dxj s VAL 795 Cb 0.07 -2.53 -0.02 0.00 0.56 0.00 0.00 36.38 34.45 3dxj s VAL 795 CO 0.15 0.00 0.27 -0.13 -0.31 0.00 0.00 175.10 175.08 3dxj s ARG 796 N -4.08 2.29 -0.07 4.82 0.52 0.02 -5.00 118.95 117.45 3dxj s ARG 796 Ca 0.39 -1.86 -0.29 0.00 -0.52 0.00 0.00 55.73 53.45 3dxj s ARG 796 Cb 0.07 -2.07 0.07 0.00 0.52 0.00 0.00 34.95 33.54 3dxj s ARG 796 CO 0.13 -0.28 0.65 0.15 0.02 0.00 0.00 175.30 175.97 3dxj s LYS 797 N -4.05 0.99 0.00 3.54 1.02 -1.25 -4.85 119.74 115.13 3dxj s LYS 797 Ca 0.38 0.31 0.00 0.00 0.02 0.00 0.00 55.97 56.68 3dxj s LYS 797 Cb 0.01 0.47 0.00 0.00 -0.52 0.00 0.00 37.83 37.78 3dxj s LYS 797 CO 0.22 -0.29 0.00 -1.91 -0.92 0.00 0.00 175.35 172.45 3dxj n GLU 798 N 1.18 0.00 0.00 1.68 0.00 -1.01 -5.00 120.64 117.49 3dxj n GLU 798 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 57.16 56.97 3dxj n GLU 798 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.01 3dxj n GLU 798 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 3dxj n LYS 799 N -0.31 0.00 -0.21 5.31 4.81 -1.26 -5.01 118.16 121.48 3dxj n LYS 799 Ca 0.00 0.40 0.00 0.00 -0.87 0.00 0.00 58.31 57.84 3dxj n LYS 799 Cb 0.00 -1.17 0.00 0.00 0.02 0.00 0.00 35.03 33.88 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 -1.69 0.00 -0.34 1.64 -0.00 -1.26 -5.00 118.16 111.51 3dxj n LYS 800 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3dxj n LYS 800 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 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 0.00 0.51 0.10 2.58 0.00 -1.26 0.14 105.19 107.26 3dxj n GLY 801 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 2.50 -1.95 4.61 0.00 -1.26 -4.27 120.51 120.14 3dxj n ALA 802 Ca 0.00 -0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 3dxj n ALA 802 Cb 0.54 -1.00 0.18 0.00 0.00 0.00 0.00 19.45 19.17 3dxj n ALA 802 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3dxj s GLY 803 N -0.81 1.79 0.00 0.00 0.00 -1.26 -4.83 107.32 102.21 3dxj s GLY 803 Ca 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 44.72 43.37 3dxj s GLY 803 CO 0.00 -0.60 0.90 1.04 0.00 0.00 0.00 173.10 174.44 3dxj n LEU 804 N -3.62 2.61 0.00 0.66 4.77 -1.26 -4.73 117.00 115.43 3dxj n LEU 804 Ca 0.16 -1.28 0.00 0.00 -0.03 0.00 0.00 56.01 54.86 3dxj n LEU 804 Cb 0.60 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 3dxj n LEU 804 CO 0.44 0.45 0.00 -1.84 -1.33 0.00 0.00 177.39 175.11 3dxj n GLU 805 N 0.76 0.00 -4.12 3.23 0.28 -1.26 -4.36 120.64 115.16 3dxj n GLU 805 Ca 0.00 0.00 -0.36 0.00 -0.16 0.00 0.00 57.16 56.64 3dxj n GLU 805 Cb 0.39 -2.83 -0.04 0.00 1.43 0.00 0.00 31.44 30.39 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 -1.71 -1.20 0.02 -1.84 3.01 -1.26 -1.91 117.46 112.57 3dxj n PHE 806 Ca 0.00 0.32 -0.08 0.00 1.01 0.00 0.00 57.45 58.70 3dxj n PHE 806 Cb 0.00 -2.55 -0.13 0.00 -0.01 0.00 0.00 39.48 36.79 3dxj n PHE 806 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3dxj h ALA 807 N 1.31 0.55 0.00 4.37 0.00 -1.96 -3.37 119.26 120.17 3dxj h ALA 807 Ca -0.63 -1.20 0.00 0.00 0.00 0.00 0.00 54.91 53.08 3dxj h ALA 807 Cb 1.29 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.27 3dxj h ALA 807 CO 0.57 1.41 0.00 0.25 0.00 0.00 0.00 179.25 181.48 3dxj n THR 808 N -3.21 0.00 -0.87 0.00 -2.24 -1.26 -4.95 114.28 101.75 3dxj n THR 808 Ca -0.09 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.37 3dxj n THR 808 Cb 1.00 0.00 0.03 0.00 -2.10 0.00 0.00 70.33 69.27 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 -0.22 0.00 0.00 -0.78 -0.02 -1.26 -4.97 135.00 127.75 3dxj n PRO 809 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3dxj n PRO 809 Cb 0.00 -0.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.61 3dxj n PRO 809 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3dxj n GLU 810 N 2.15 3.30 -0.19 -0.52 4.71 -1.26 -4.81 120.64 124.02 3dxj n GLU 810 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.14 3dxj n GLU 810 Cb 0.48 -0.53 0.10 0.00 -1.01 0.00 0.00 31.44 30.49 3dxj n GLU 810 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 3dxj h GLU 811 N 0.00 0.22 -0.73 3.49 5.08 -1.99 0.80 114.58 121.46 3dxj h GLU 811 Ca 0.00 -0.01 0.21 0.00 -1.00 0.00 0.00 59.36 58.56 3dxj h GLU 811 Cb 0.00 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 3dxj h GLU 811 CO 0.00 0.15 0.86 0.00 -1.00 0.00 0.00 179.01 179.02 3dxj h ALA 812 N 1.48 2.55 -0.08 3.43 0.00 -1.88 0.84 119.26 125.59 3dxj h ALA 812 Ca 0.30 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.21 3dxj h ALA 812 Cb 0.45 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 3dxj h ALA 812 CO -0.41 -1.24 0.74 -0.07 0.00 0.00 0.00 179.25 178.28 3dxj h LEU 813 N 0.00 0.00 0.00 0.00 3.38 -1.17 -3.28 115.31 114.24 3dxj h LEU 813 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 3dxj h LEU 813 Cb 2.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.82 3dxj h LEU 813 CO -0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 3dxj n ALA 814 N -1.73 0.41 -0.06 1.53 0.00 0.10 -4.98 120.51 115.79 3dxj n ALA 814 Ca 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.44 3dxj n ALA 814 Cb 0.79 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.22 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 -2.85 -0.09 -0.16 0.00 0.00 0.25 -1.15 120.51 116.51 3dxj n ALA 815 Ca 0.00 0.12 -0.04 0.00 0.00 0.00 0.00 53.44 53.52 3dxj n ALA 815 Cb 0.00 0.31 0.06 0.00 0.00 0.00 0.00 19.45 19.82 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 0.38 -0.51 0.00 3.86 -1.71 0.32 115.15 117.49 3dxj h HIS 816 Ca 0.02 0.02 0.08 0.00 -1.16 0.00 0.00 60.37 59.33 3dxj h HIS 816 Cb 0.06 -0.10 -0.03 0.00 1.06 0.00 0.00 27.41 28.40 3dxj h HIS 816 CO -0.76 0.16 0.35 1.49 0.86 0.00 0.00 177.93 180.02 3dxj h GLU 817 N 0.42 0.36 0.51 2.45 4.81 -1.36 0.53 114.58 122.30 3dxj h GLU 817 Ca 0.23 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.42 3dxj h GLU 817 Cb 0.21 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.51 3dxj h GLU 817 CO -0.21 0.24 -0.27 0.00 -0.73 0.00 0.00 179.01 178.04 3dxj h ARG 818 N 0.37 -0.68 -0.91 1.92 3.08 0.59 0.46 114.38 119.21 3dxj h ARG 818 Ca 0.23 0.05 0.21 0.00 0.07 0.00 0.00 59.98 60.53 3dxj h ARG 818 Cb 0.43 0.16 -0.17 0.00 0.08 0.00 0.00 29.97 30.47 3dxj h ARG 818 CO -0.06 -0.46 -0.12 0.78 -1.07 0.00 0.00 179.97 179.05 3dxj h GLY 819 N -0.71 0.86 0.17 0.04 0.00 -0.40 4.77 103.07 107.80 3dxj h GLY 819 Ca -0.07 0.23 0.01 0.00 0.00 0.00 0.00 47.33 47.49 3dxj h GLY 819 CO 0.10 -0.38 -0.44 -2.09 0.00 0.00 0.00 176.54 173.73 3dxj h GLU 820 N 0.02 -0.65 0.00 4.80 4.22 -0.56 0.25 114.58 122.66 3dxj h GLU 820 Ca 0.48 0.04 -0.02 0.00 0.08 0.00 0.00 59.36 59.94 3dxj h GLU 820 Cb 0.84 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.23 3dxj h GLU 820 CO -0.89 -0.43 -0.09 0.28 -2.18 0.00 0.00 179.01 175.69 3dxj h VAL 821 N -0.68 0.75 0.00 0.32 2.07 0.19 0.30 116.25 119.21 3dxj h VAL 821 Ca -0.02 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.14 3dxj h VAL 821 Cb 0.65 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 3dxj h VAL 821 CO -0.20 0.09 0.00 0.00 0.02 0.00 0.00 177.57 177.49 3dxj n ALA 822 N -2.38 2.31 -3.17 1.67 0.00 1.53 -4.80 120.51 115.66 3dxj n ALA 822 Ca -0.02 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.34 3dxj n ALA 822 Cb 0.18 -1.00 0.03 0.00 0.00 0.00 0.00 19.45 18.66 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 0.12 -6.13 0.04 0.00 7.94 0.10 -4.88 117.00 114.19 3dxj n LEU 823 Ca 0.00 -0.37 0.00 0.00 -1.11 0.00 0.00 56.01 54.53 3dxj n LEU 823 Cb 0.24 -3.22 0.00 0.00 0.53 0.00 0.00 43.42 40.98 3dxj n LEU 823 CO 0.00 -0.57 -0.06 0.59 -1.11 0.00 0.00 177.39 176.24 3dxj n ASN 824 N -2.39 0.01 -4.33 1.96 3.02 0.31 -4.93 115.26 108.92 3dxj n ASN 824 Ca -0.04 0.14 -0.32 0.00 -0.03 0.00 0.00 54.58 54.33 3dxj n ASN 824 Cb 0.55 0.10 -0.15 0.00 -0.61 0.00 0.00 39.78 39.67 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 2.42 0.33 5.41 0.00 -1.26 -4.91 121.76 121.76 3dxj s ALA 825 Ca 0.00 -0.96 -0.29 0.00 0.00 0.00 0.00 51.96 50.72 3dxj s ALA 825 Cb 0.00 -0.96 -0.10 0.00 0.00 0.00 0.00 23.12 22.05 3dxj s ALA 825 CO 0.00 0.34 1.30 -2.14 0.00 0.00 0.00 175.76 175.27 3dxj s PRO 826 N 0.07 4.36 0.52 0.00 0.02 -1.26 -4.69 135.00 134.02 3dxj s PRO 826 Ca -0.08 2.21 0.40 0.00 0.02 0.00 0.00 61.00 63.55 3dxj s PRO 826 Cb -0.15 -3.07 1.57 0.00 0.02 0.00 0.00 34.50 32.87 3dxj s PRO 826 CO 0.05 -0.19 1.69 0.82 -0.33 0.00 0.00 177.00 179.04 3dxj h ILE 827 N 3.03 0.22 -2.23 2.83 2.04 -1.97 -1.49 117.51 119.94 3dxj h ILE 827 Ca -0.49 -0.01 -0.58 0.00 1.00 0.00 0.00 64.86 64.78 3dxj h ILE 827 Cb 1.23 0.17 -0.42 0.00 -0.74 0.00 0.00 36.82 37.06 3dxj h ILE 827 CO 0.65 0.01 -0.72 0.29 0.00 0.00 0.00 178.15 178.39 3dxj n LYS 828 N -4.20 2.75 -4.20 2.37 4.01 -1.26 -1.65 118.16 115.98 3dxj n LYS 828 Ca 0.35 -4.59 -0.26 0.00 -0.51 0.00 0.00 58.31 53.29 3dxj n LYS 828 Cb 1.54 -2.14 -0.06 0.00 -0.51 0.00 0.00 35.03 33.86 3dxj n LYS 828 CO 0.00 0.00 0.00 0.14 -1.11 0.00 0.00 177.40 176.43 3dxj s VAL 829 N -3.74 2.02 0.44 -0.18 -7.23 -0.56 -2.41 120.40 108.74 3dxj s VAL 829 Ca 0.46 -1.72 -0.24 0.00 -1.81 0.00 0.00 61.98 58.67 3dxj s VAL 829 Cb 0.26 -2.73 -0.08 0.00 0.56 0.00 0.00 36.38 34.39 3dxj s VAL 829 CO -0.11 0.00 1.20 0.00 -0.31 0.00 0.00 175.10 175.88 3dxj s ALA 830 N -2.67 3.04 0.00 1.32 0.00 0.37 -4.55 121.76 119.27 3dxj s ALA 830 Ca 0.35 1.01 0.00 0.00 0.00 0.00 0.00 51.96 53.32 3dxj s ALA 830 Cb 0.03 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.74 3dxj s ALA 830 CO 0.19 -0.70 0.00 0.41 0.00 0.00 0.00 175.76 175.66 3dxj n GLY 831 N 0.55 2.70 0.00 0.00 0.00 -1.25 -4.02 105.19 103.16 3dxj n GLY 831 Ca 0.06 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 3.00 -0.80 -4.87 116.66 115.60 3dxj n ARG 832 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.85 57.85 3dxj n ARG 832 Cb 0.00 -0.07 -0.11 0.00 0.00 0.00 0.00 32.46 32.29 3dxj n ARG 832 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 3dxj n GLU 833 N -0.80 0.64 -1.03 -0.14 4.71 -1.24 -5.04 120.64 117.74 3dxj n GLU 833 Ca 0.00 0.13 0.00 0.00 -0.01 0.00 0.00 57.16 57.28 3dxj n GLU 833 Cb 0.00 -1.72 0.00 0.00 -1.01 0.00 0.00 31.44 28.71 3dxj n GLU 833 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 3dxj n THR 834 N -2.78 0.00 -3.52 2.62 -2.24 -1.26 -5.01 114.28 102.09 3dxj n THR 834 Ca -0.13 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.53 3dxj n THR 834 Cb 0.85 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 69.04 3dxj n THR 834 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3dxj s SER 835 N -0.33 -0.48 0.00 3.42 0.15 -1.26 -3.96 113.70 111.23 3dxj s SER 835 Ca 0.00 0.32 0.00 0.00 0.70 0.00 0.00 55.95 56.97 3dxj s SER 835 Cb 0.00 0.44 0.00 0.00 -1.71 0.00 0.00 66.02 64.75 3dxj s SER 835 CO 0.00 -0.59 0.34 0.52 1.20 0.00 0.00 173.24 174.72 3dxj n VAL 836 N 0.35 0.00 -0.04 4.45 0.31 -1.04 0.24 118.33 122.60 3dxj n VAL 836 Ca -0.13 0.57 0.24 0.00 -0.01 0.00 0.00 64.34 65.00 3dxj n VAL 836 Cb 0.60 -0.79 0.72 0.00 -0.91 0.00 0.00 33.84 33.45 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 1.72 2.92 0.00 -1.54 0.26 103.07 106.43 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 0.00 0.54 0.00 0.00 0.00 176.54 177.08 3dxj n ARG 838 N -4.09 0.06 0.02 4.80 1.74 0.14 -1.91 116.66 117.42 3dxj n ARG 838 Ca 0.12 0.28 0.00 0.00 -0.77 0.00 0.00 57.85 57.48 3dxj n ARG 838 Cb 0.76 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.70 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 -1.36 0.30 -0.41 0.55 4.77 0.81 -4.51 117.00 117.15 3dxj n LEU 839 Ca 0.03 0.06 -0.10 0.00 -0.03 0.00 0.00 56.01 55.97 3dxj n LEU 839 Cb 0.06 -0.07 -0.09 0.00 -2.33 0.00 0.00 43.42 40.99 3dxj n LEU 839 CO 0.06 -0.58 0.49 0.50 -1.33 0.00 0.00 177.39 176.52 3dxj h LYS 840 N 0.00 -0.01 -5.83 3.23 3.64 -1.40 -3.34 116.57 112.85 3dxj h LYS 840 Ca 0.00 0.00 -0.60 0.00 -1.27 0.00 0.00 60.65 58.79 3dxj h LYS 840 Cb 0.00 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 31.73 3dxj h LYS 840 CO 0.00 -0.01 0.48 0.71 -2.27 0.00 0.00 179.45 178.36 3dxj s TYR 841 N -5.55 3.26 -0.02 1.91 1.51 -0.80 -5.03 117.35 112.63 3dxj s TYR 841 Ca -0.12 1.04 0.01 0.00 -1.01 0.00 0.00 57.07 56.98 3dxj s TYR 841 Cb 0.12 -3.16 0.02 0.00 -0.11 0.00 0.00 41.96 38.83 3dxj s TYR 841 CO 0.63 -0.49 -0.01 0.08 -1.11 0.00 0.00 175.55 174.65 3dxj s VAL 842 N 2.95 0.22 -0.03 0.71 1.01 -1.26 -3.45 120.40 120.54 3dxj s VAL 842 Ca 0.35 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.34 3dxj s VAL 842 Cb -0.15 -0.27 0.03 0.00 0.00 0.00 0.00 36.38 35.99 3dxj s VAL 842 CO 0.10 0.13 -0.00 -0.36 0.00 0.00 0.00 175.10 174.96 3dxj s PHE 843 N 0.68 0.38 0.03 5.22 0.08 -0.79 -5.02 117.98 118.57 3dxj s PHE 843 Ca -0.07 -0.03 -0.18 0.00 0.12 0.00 0.00 56.93 56.78 3dxj s PHE 843 Cb -0.10 -0.46 -0.24 0.00 -0.57 0.00 0.00 43.02 41.65 3dxj s PHE 843 CO -0.01 -0.15 1.12 0.00 -0.10 0.00 0.00 175.22 176.08 3dxj h ALA 844 N 7.31 0.08 -1.40 5.36 0.00 -1.88 -1.52 119.26 127.20 3dxj h ALA 844 Ca -0.40 -0.64 -0.46 0.00 0.00 0.00 0.00 54.91 53.41 3dxj h ALA 844 Cb 1.14 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 3dxj h ALA 844 CO 0.46 0.49 -0.31 -0.80 0.00 0.00 0.00 179.25 179.09 3dxj s ASN 845 N -7.00 5.30 -0.03 0.00 0.01 -1.26 -4.34 114.94 107.62 3dxj s ASN 845 Ca -0.12 -0.63 -0.02 0.00 -0.71 0.00 0.00 52.86 51.39 3dxj s ASN 845 Cb 0.05 -0.52 -0.01 0.00 0.41 0.00 0.00 41.25 41.18 3dxj s ASN 845 CO 0.87 -0.76 -0.03 -0.65 -1.51 0.00 0.00 177.10 175.01 3dxj h PRO 846 N 0.79 0.00 -1.00 -0.60 0.11 -1.89 -3.18 132.00 126.23 3dxj h PRO 846 Ca -0.40 0.00 0.20 0.00 0.11 0.00 0.00 66.00 65.91 3dxj h PRO 846 Cb 1.27 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 32.20 3dxj h PRO 846 CO 0.51 0.00 -0.26 0.38 -0.21 0.00 0.00 178.00 178.42 3dxj h ASP 847 N -0.22 -0.98 -0.23 -2.05 3.04 -1.98 1.28 116.42 115.27 3dxj h ASP 847 Ca 0.00 0.30 0.02 0.00 -3.24 0.00 0.00 57.03 54.11 3dxj h ASP 847 Cb 0.10 0.63 -0.03 0.00 -1.04 0.00 0.00 39.33 38.99 3dxj h ASP 847 CO 0.00 -0.33 -0.14 1.21 -2.04 0.00 0.00 179.24 177.95 3dxj n GLU 848 N -5.61 -0.10 -0.26 4.15 2.13 -1.26 0.17 120.64 119.85 3dxj n GLU 848 Ca 0.15 1.03 -0.01 0.00 0.66 0.00 0.00 57.16 58.99 3dxj n GLU 848 Cb 0.49 -1.53 0.05 0.00 0.27 0.00 0.00 31.44 30.71 3dxj n GLU 848 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3dxj h ALA 849 N -0.56 0.23 -0.35 4.31 0.00 0.16 -1.27 119.26 121.77 3dxj h ALA 849 Ca 0.04 0.24 0.06 0.00 0.00 0.00 0.00 54.91 55.25 3dxj h ALA 849 Cb 0.10 0.73 -0.06 0.00 0.00 0.00 0.00 17.79 18.56 3dxj h ALA 849 CO -0.22 -0.55 0.00 -0.07 0.00 0.00 0.00 179.25 178.41 3dxj h LEU 850 N -0.07 -0.14 -1.91 0.00 3.38 0.15 0.39 115.31 117.11 3dxj h LEU 850 Ca 0.31 0.08 0.30 0.00 0.09 0.00 0.00 57.88 58.66 3dxj h LEU 850 Cb 0.57 0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.41 3dxj h LEU 850 CO -0.78 -0.03 0.82 -0.07 0.09 0.00 0.00 178.44 178.47 3dxj h LEU 851 N 0.10 0.00 0.30 1.67 3.38 0.71 0.68 115.31 122.15 3dxj h LEU 851 Ca 0.17 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 3dxj h LEU 851 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3dxj h LEU 851 CO -0.28 0.00 -0.14 0.00 0.09 0.00 0.00 178.44 178.11 3dxj h ALA 852 N 1.34 -0.71 -0.71 1.53 0.00 -0.74 -2.31 119.26 117.66 3dxj h ALA 852 Ca 0.49 -0.09 0.21 0.00 0.00 0.00 0.00 54.91 55.52 3dxj h ALA 852 Cb 2.12 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 20.04 3dxj h ALA 852 CO -0.01 -0.68 0.53 0.28 0.00 0.00 0.00 179.25 179.37 3dxj h VAL 853 N -0.59 0.60 -0.20 0.00 2.07 -0.68 2.30 116.25 119.76 3dxj h VAL 853 Ca -0.04 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.53 3dxj h VAL 853 Cb 0.30 0.63 -0.05 0.00 -1.52 0.00 0.00 31.29 30.66 3dxj h VAL 853 CO 0.07 0.00 -0.11 0.00 0.02 0.00 0.00 177.57 177.55 3dxj h ALA 854 N 1.62 0.05 0.00 1.67 0.00 0.37 2.05 119.26 125.01 3dxj h ALA 854 Ca 0.34 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.32 3dxj h ALA 854 Cb 1.39 0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.43 3dxj h ALA 854 CO -0.00 -0.54 0.00 0.72 0.00 0.00 0.00 179.25 179.43 3dxj n HIS 855 N -5.27 0.00 -3.55 0.00 8.25 0.77 -4.78 115.22 110.63 3dxj n HIS 855 Ca -0.02 -0.08 -0.28 0.00 -0.26 0.00 0.00 57.72 57.08 3dxj n HIS 855 Cb 0.19 -0.11 -0.05 0.00 1.12 0.00 0.00 29.99 31.13 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 0.21 -0.25 0.36 -1.41 0.00 0.69 -4.68 105.19 100.12 3dxj n GLY 856 Ca 0.00 0.05 0.14 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.93 0.00 -3.83 -0.61 -5.35 -1.12 -4.91 119.36 100.62 3dxj n ILE 857 Ca 0.05 -0.19 -0.04 0.00 -0.27 0.00 0.00 62.75 62.30 3dxj n ILE 857 Cb 0.32 0.41 0.01 0.00 -1.74 0.00 0.00 39.64 38.64 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 -2.23 0.00 0.16 7.28 1.01 -1.26 -4.97 120.40 120.39 3dxj s VAL 858 Ca 0.32 -0.71 0.06 0.00 0.00 0.00 0.00 61.98 61.66 3dxj s VAL 858 Cb 0.20 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 3dxj s VAL 858 CO 0.42 0.00 -0.13 -1.81 0.00 0.00 0.00 175.10 173.57 3dxj s ASP 859 N -3.18 2.22 0.42 3.32 1.01 -1.26 -4.43 116.67 114.77 3dxj s ASP 859 Ca 0.17 -0.95 0.10 0.00 0.71 0.00 0.00 52.55 52.58 3dxj s ASP 859 Cb -0.03 -0.09 0.90 0.00 1.01 0.00 0.00 42.92 44.71 3dxj s ASP 859 CO 0.06 -0.20 2.00 -0.07 0.21 0.00 0.00 175.17 177.18 3dxj h LEU 860 N 2.92 0.27 -0.50 1.23 3.38 -1.92 0.25 115.31 120.94 3dxj h LEU 860 Ca -0.38 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.56 3dxj h LEU 860 Cb 1.20 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.89 3dxj h LEU 860 CO 0.58 0.30 0.00 0.00 0.09 0.00 0.00 178.44 179.42 3dxj n GLN 861 N -4.39 0.14 -2.42 1.13 3.00 -1.25 -2.97 117.38 110.61 3dxj n GLN 861 Ca 0.00 0.37 -0.29 0.00 -0.01 0.00 0.00 57.00 57.07 3dxj n GLN 861 Cb 0.17 -1.77 -0.01 0.00 0.00 0.00 0.00 30.24 28.63 3dxj n GLN 861 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 3dxj s ASP 862 N -3.90 6.33 -0.20 1.08 -0.00 0.87 -0.80 116.67 120.06 3dxj s ASP 862 Ca 0.05 1.17 -0.05 0.00 -0.00 0.00 0.00 52.55 53.72 3dxj s ASP 862 Cb 0.09 -2.35 -0.03 0.00 -0.00 0.00 0.00 42.92 40.64 3dxj s ASP 862 CO 0.36 -0.63 0.00 -0.69 -0.00 0.00 0.00 175.17 174.21 3dxj s VAL 863 N -2.80 4.03 0.34 -1.27 1.01 -1.26 -3.64 120.40 116.82 3dxj s VAL 863 Ca 0.51 -0.29 0.08 0.00 0.00 0.00 0.00 61.98 62.28 3dxj s VAL 863 Cb -0.10 -2.82 -0.03 0.00 0.00 0.00 0.00 36.38 33.43 3dxj s VAL 863 CO 0.44 0.43 0.28 0.52 0.00 0.00 0.00 175.10 176.77 3dxj n VAL 864 N 4.13 0.00 -4.12 2.92 0.31 0.39 -3.67 118.33 118.28 3dxj n VAL 864 Ca -0.17 -2.47 -0.34 0.00 -0.01 0.00 0.00 64.34 61.34 3dxj n VAL 864 Cb 0.52 1.21 -0.11 0.00 -0.91 0.00 0.00 33.84 34.55 3dxj n VAL 864 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3dxj s THR 865 N -3.36 4.47 -0.06 2.52 2.01 -1.22 -0.17 115.64 119.83 3dxj s THR 865 Ca 0.39 -0.15 -0.02 0.00 0.31 0.00 0.00 61.69 62.22 3dxj s THR 865 Cb 0.02 -3.00 0.04 0.00 0.01 0.00 0.00 72.50 69.57 3dxj s THR 865 CO 0.28 0.46 0.11 -0.69 -0.69 0.00 0.00 174.62 174.10 3dxj s VAL 866 N 0.43 -0.09 -0.61 3.82 1.01 0.81 -1.88 120.40 123.89 3dxj s VAL 866 Ca 0.01 0.24 -0.27 0.00 0.00 0.00 0.00 61.98 61.95 3dxj s VAL 866 Cb -0.13 -0.20 0.03 0.00 0.00 0.00 0.00 36.38 36.08 3dxj s VAL 866 CO 0.01 0.10 1.18 -0.60 0.00 0.00 0.00 175.10 175.79 3dxj s ARG 867 N 1.41 3.43 -0.16 2.72 3.52 -0.57 0.16 118.95 129.45 3dxj s ARG 867 Ca -0.06 0.09 0.01 0.00 -0.13 0.00 0.00 55.73 55.63 3dxj s ARG 867 Cb -0.12 -4.05 0.03 0.00 -1.56 0.00 0.00 34.95 29.24 3dxj s ARG 867 CO -0.05 -1.75 -0.14 -0.47 -0.81 0.00 0.00 175.30 172.08 3dxj s TYR 868 N 4.99 2.30 -1.02 5.12 5.04 0.25 -4.51 117.35 129.52 3dxj s TYR 868 Ca 0.40 -1.35 -0.06 0.00 -2.44 0.00 0.00 57.07 53.62 3dxj s TYR 868 Cb -0.08 -1.65 0.01 0.00 0.35 0.00 0.00 41.96 40.58 3dxj s TYR 868 CO 0.23 -0.70 0.88 -1.33 -1.34 0.00 0.00 175.55 173.29 3dxj n MET 869 N 4.73 -5.93 -3.12 4.97 2.81 -1.26 -2.57 117.12 116.75 3dxj n MET 869 Ca -0.17 0.64 -0.15 0.00 -1.81 0.00 0.00 57.70 56.21 3dxj n MET 869 Cb 0.49 -5.09 0.05 0.00 -0.71 0.00 0.00 33.22 27.96 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 -1.56 0.00 2.67 3.03 0.00 -1.26 -5.02 105.19 103.05 3dxj n GLY 870 Ca -0.03 -0.11 -0.20 0.00 0.00 0.00 0.00 46.02 45.68 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 -5.75 -0.08 -0.57 1.61 2.20 -1.06 -5.09 119.74 111.00 3dxj s LYS 871 Ca 0.34 0.38 -0.27 0.00 -0.36 0.00 0.00 55.97 56.06 3dxj s LYS 871 Cb -0.15 -0.52 0.00 0.00 -1.51 0.00 0.00 37.83 35.65 3dxj s LYS 871 CO 0.43 -0.33 1.59 0.50 -0.36 0.00 0.00 175.35 177.17 3dxj s ARG 872 N 2.17 3.08 0.00 4.03 3.52 -1.26 0.85 118.95 131.34 3dxj s ARG 872 Ca 0.05 0.55 -0.01 0.00 -0.13 0.00 0.00 55.73 56.19 3dxj s ARG 872 Cb -0.12 -4.22 -0.04 0.00 -1.56 0.00 0.00 34.95 29.01 3dxj s ARG 872 CO -0.03 -2.21 0.12 -0.51 -0.81 0.00 0.00 175.30 171.86 3dxj s LEU 873 N 7.11 4.07 -0.51 -0.88 1.43 0.42 -4.87 118.68 125.44 3dxj s LEU 873 Ca 0.59 0.21 0.02 0.00 -1.03 0.00 0.00 54.13 53.92 3dxj s LEU 873 Cb -0.12 -2.43 0.13 0.00 0.03 0.00 0.00 46.19 43.80 3dxj s LEU 873 CO 0.24 0.26 0.27 -1.61 0.23 0.00 0.00 176.35 175.73 3dxj s GLU 874 N -1.88 2.04 0.00 1.70 2.02 -1.26 0.28 118.70 121.61 3dxj s GLU 874 Ca 0.25 -2.44 0.00 0.00 0.02 0.00 0.00 54.97 52.81 3dxj s GLU 874 Cb -0.12 -3.42 0.00 0.00 0.10 0.00 0.00 34.13 30.69 3dxj s GLU 874 CO 0.17 -1.10 0.00 2.41 0.02 0.00 0.00 175.26 176.76 3dxj n THR 875 N 3.47 0.00 -4.31 3.63 -1.04 0.76 -4.90 114.28 111.89 3dxj n THR 875 Ca 0.05 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.78 3dxj n THR 875 Cb 0.36 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.76 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 1.01 3.99 0.14 8.00 1.04 -1.26 0.15 113.70 126.77 3dxj s SER 876 Ca 0.00 -0.59 -0.20 0.00 0.48 0.00 0.00 55.95 55.64 3dxj s SER 876 Cb 0.00 -0.59 0.01 0.00 0.10 0.00 0.00 66.02 65.54 3dxj s SER 876 CO 0.00 0.15 1.68 -0.65 0.98 0.00 0.00 173.24 175.39 3dxj h PRO 877 N 3.37 -0.08 -0.59 4.02 0.11 -1.60 -2.09 132.00 135.16 3dxj h PRO 877 Ca -0.48 0.01 0.08 0.00 0.11 0.00 0.00 66.00 65.71 3dxj h PRO 877 Cb 1.19 0.02 -0.10 0.00 0.11 0.00 0.00 31.00 32.21 3dxj h PRO 877 CO 0.49 -0.05 -0.48 0.78 -0.21 0.00 0.00 178.00 178.54 3dxj h GLY 878 N -0.08 -0.61 -0.46 -0.55 0.00 -1.66 0.35 103.07 100.07 3dxj h GLY 878 Ca 0.12 0.62 0.04 0.00 0.00 0.00 0.00 47.33 48.11 3dxj h GLY 878 CO -0.27 -0.13 -0.28 3.21 0.00 0.00 0.00 176.54 179.07 3dxj h ARG 879 N -0.24 -0.01 0.00 4.80 2.47 -1.49 0.44 114.38 120.35 3dxj h ARG 879 Ca 0.16 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.88 3dxj h ARG 879 Cb 0.56 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.88 3dxj h ARG 879 CO -0.70 -0.01 0.00 -0.89 0.56 0.00 0.00 179.97 178.93 3dxj n ILE 880 N -4.06 0.00 -0.13 2.04 2.08 0.07 -1.28 119.36 118.08 3dxj n ILE 880 Ca 0.01 1.39 -0.03 0.00 0.56 0.00 0.00 62.75 64.68 3dxj n ILE 880 Cb 0.13 -2.02 -0.03 0.00 -0.75 0.00 0.00 39.64 36.97 3dxj n ILE 880 CO 0.00 0.00 0.00 -0.11 0.56 0.00 0.00 176.55 177.00 3dxj n LEU 881 N -2.36 -0.33 -0.14 1.39 7.94 0.10 0.11 117.00 123.70 3dxj n LEU 881 Ca 0.00 0.80 -0.04 0.00 -1.11 0.00 0.00 56.01 55.67 3dxj n LEU 881 Cb 0.00 -0.20 -0.03 0.00 0.53 0.00 0.00 43.42 43.72 3dxj n LEU 881 CO 0.00 -0.57 0.49 0.33 -1.11 0.00 0.00 177.39 176.52 3dxj n PHE 882 N -3.73 -0.15 -0.33 1.96 7.35 0.15 0.04 117.46 122.74 3dxj n PHE 882 Ca 0.01 0.43 0.00 0.00 -0.76 0.00 0.00 57.45 57.13 3dxj n PHE 882 Cb 0.08 -0.52 0.05 0.00 0.35 0.00 0.00 39.48 39.44 3dxj n PHE 882 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3dxj n ALA 883 N -3.08 -0.04 0.07 3.13 0.00 0.29 -0.28 120.51 120.59 3dxj n ALA 883 Ca 0.01 0.88 -0.08 0.00 0.00 0.00 0.00 53.44 54.24 3dxj n ALA 883 Cb 0.09 -0.42 -0.05 0.00 0.00 0.00 0.00 19.45 19.07 3dxj n ALA 883 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3dxj h ARG 884 N 0.00 -0.37 -0.68 0.00 2.43 0.16 -1.75 114.38 114.17 3dxj h ARG 884 Ca 0.32 0.03 0.23 0.00 -0.81 0.00 0.00 59.98 59.74 3dxj h ARG 884 Cb 0.54 0.08 -0.13 0.00 -0.42 0.00 0.00 29.97 30.05 3dxj h ARG 884 CO -0.86 -0.25 0.15 -0.89 -1.51 0.00 0.00 179.97 176.61 3dxj n ILE 885 N -3.90 -0.29 0.21 1.20 5.41 0.61 -0.25 119.36 122.35 3dxj n ILE 885 Ca -0.04 1.46 -0.08 0.00 1.00 0.00 0.00 62.75 65.08 3dxj n ILE 885 Cb 0.20 -2.22 -0.04 0.00 -0.71 0.00 0.00 39.64 36.87 3dxj n ILE 885 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 3dxj h VAL 886 N 0.00 0.00 -0.87 1.39 2.07 -0.71 -1.75 116.25 116.38 3dxj h VAL 886 Ca 0.48 -0.11 0.22 0.00 0.82 0.00 0.00 66.70 68.11 3dxj h VAL 886 Cb 1.12 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.74 3dxj h VAL 886 CO -0.60 0.00 0.03 0.00 0.02 0.00 0.00 177.57 177.03 3dxj h ALA 887 N -1.64 0.99 -0.04 1.67 0.00 -0.07 0.52 119.26 120.69 3dxj h ALA 887 Ca -0.06 0.28 0.01 0.00 0.00 0.00 0.00 54.91 55.15 3dxj h ALA 887 Cb 0.42 0.49 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 3dxj h ALA 887 CO 0.09 -0.48 -0.19 0.93 0.00 0.00 0.00 179.25 179.60 3dxj h GLU 888 N 0.08 -0.21 -0.80 0.00 4.39 -0.69 0.34 114.58 117.69 3dxj h GLU 888 Ca 0.50 0.01 0.19 0.00 0.34 0.00 0.00 59.36 60.41 3dxj h GLU 888 Cb 0.97 0.05 -0.12 0.00 -0.10 0.00 0.00 28.75 29.54 3dxj h GLU 888 CO -0.78 -0.14 0.19 0.00 -1.16 0.00 0.00 179.01 177.12 3dxj h ALA 889 N -1.05 1.06 -0.01 3.43 0.00 0.63 -1.20 119.26 122.13 3dxj h ALA 889 Ca 0.01 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3dxj h ALA 889 Cb 0.25 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3dxj h ALA 889 CO -0.15 -0.38 -0.02 1.33 0.00 0.00 0.00 179.25 180.03 3dxj n VAL 890 N -5.19 0.00 -0.73 0.00 0.24 0.14 -4.62 118.33 108.17 3dxj n VAL 890 Ca 0.17 -0.10 0.00 0.00 -2.04 0.00 0.00 64.34 62.37 3dxj n VAL 890 Cb 0.54 -0.08 0.00 0.00 -1.47 0.00 0.00 33.84 32.83 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 -0.58 -1.76 -3.71 7.34 -0.58 0.11 -4.85 120.64 116.61 3dxj n GLU 891 Ca 0.20 0.34 -0.30 0.00 -0.42 0.00 0.00 57.16 56.99 3dxj n GLU 891 Cb 0.23 -4.36 -0.14 0.00 -0.57 0.00 0.00 31.44 26.60 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 -1.56 3.78 0.61 1.62 -1.08 -1.16 -4.97 116.67 113.91 3dxj s ASP 892 Ca 0.00 -2.24 0.31 0.00 -0.52 0.00 0.00 52.55 50.10 3dxj s ASP 892 Cb 0.00 -0.95 1.75 0.00 -1.46 0.00 0.00 42.92 42.26 3dxj s ASP 892 CO 0.00 -0.33 2.10 -0.08 0.52 0.00 0.00 175.17 177.39 3dxj h GLU 893 N 7.25 0.00 0.00 4.34 4.81 -1.89 -2.76 114.58 126.34 3dxj h GLU 893 Ca -0.05 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3dxj h GLU 893 Cb 0.96 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.34 3dxj h GLU 893 CO 0.46 0.00 0.00 1.63 -0.73 0.00 0.00 179.01 180.37 3dxj n LYS 894 N -3.56 0.00 -0.24 1.92 4.76 -1.26 -3.79 118.16 115.99 3dxj n LYS 894 Ca 0.01 0.00 0.20 0.00 -2.87 0.00 0.00 58.31 55.65 3dxj n LYS 894 Cb 0.31 -0.31 0.38 0.00 -1.84 0.00 0.00 35.03 33.57 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 -0.24 -0.31 0.00 -0.18 0.31 -1.25 -0.45 118.33 116.22 3dxj n VAL 895 Ca 0.00 1.52 0.00 0.00 -0.01 0.00 0.00 64.34 65.85 3dxj n VAL 895 Cb 0.00 -2.40 0.00 0.00 -0.91 0.00 0.00 33.84 30.53 3dxj n VAL 895 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3dxj n ALA 896 N -2.67 -0.08 -0.35 3.52 0.00 -1.04 -0.00 120.51 119.88 3dxj n ALA 896 Ca 0.25 0.00 0.30 0.00 0.00 0.00 0.00 53.44 53.99 3dxj n ALA 896 Cb 0.85 0.29 0.63 0.00 0.00 0.00 0.00 19.45 21.22 3dxj n ALA 896 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 3dxj h TRP 897 N 0.00 0.35 0.00 0.00 7.01 -0.85 0.87 115.95 123.32 3dxj h TRP 897 Ca 0.00 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.01 3dxj h TRP 897 Cb 0.00 -0.10 0.00 0.00 -2.10 0.00 0.00 29.16 26.96 3dxj h TRP 897 CO -0.38 0.00 0.00 0.39 -2.79 0.00 0.00 178.44 175.67 3dxj n GLU 898 N -4.43 0.60 -0.42 2.65 1.02 0.99 -3.04 120.64 118.01 3dxj n GLU 898 Ca 0.27 0.02 0.06 0.00 -0.02 0.00 0.00 57.16 57.49 3dxj n GLU 898 Cb 1.12 -1.50 0.10 0.00 -0.02 0.00 0.00 31.44 31.15 3dxj n GLU 898 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3dxj n LEU 899 N -1.08 1.62 -4.33 -4.62 4.77 0.30 -5.00 117.00 108.66 3dxj n LEU 899 Ca 0.15 -2.53 -0.27 0.00 -0.03 0.00 0.00 56.01 53.33 3dxj n LEU 899 Cb 0.10 -0.28 -0.13 0.00 -2.33 0.00 0.00 43.42 40.78 3dxj n LEU 899 CO 0.14 0.68 -0.54 -0.63 -1.33 0.00 0.00 177.39 175.70 3dxj s ILE 900 N -1.85 1.98 -0.94 -0.08 1.01 -1.17 -4.85 121.20 115.30 3dxj s ILE 900 Ca 0.24 -1.62 -0.03 0.00 0.00 0.00 0.00 60.65 59.24 3dxj s ILE 900 Cb 0.23 -1.77 0.22 0.00 0.01 0.00 0.00 42.46 41.15 3dxj s ILE 900 CO -0.01 0.04 2.23 0.00 0.00 0.00 0.00 174.94 177.19 3dxj n GLN 901 N 1.07 3.96 -0.14 2.79 1.13 -1.26 -4.81 117.38 120.11 3dxj n GLN 901 Ca -0.19 -3.59 0.27 0.00 -1.94 0.00 0.00 57.00 51.56 3dxj n GLN 901 Cb 0.53 -2.40 0.58 0.00 0.11 0.00 0.00 30.24 29.07 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 4.23 0.00 -3.95 1.08 5.85 -1.95 -2.05 115.31 118.52 3dxj h LEU 902 Ca 0.56 0.00 -0.61 0.00 0.84 0.00 0.00 57.88 58.67 3dxj h LEU 902 Cb 0.33 0.00 -0.30 0.00 0.37 0.00 0.00 40.66 41.07 3dxj h LEU 902 CO 1.25 0.00 0.66 0.47 -0.34 0.00 0.00 178.44 180.48 3dxj n ASP 903 N -3.48 6.36 -3.48 1.25 8.00 -1.26 -4.93 116.55 119.01 3dxj n ASP 903 Ca 0.19 -3.75 -0.15 0.00 0.71 0.00 0.00 54.79 51.79 3dxj n ASP 903 Cb 1.23 -0.88 -0.04 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 -4.39 0.00 0.04 2.53 -7.23 -0.77 -5.12 120.40 105.45 3dxj s VAL 904 Ca 0.61 0.00 -0.30 0.00 -1.81 0.00 0.00 61.98 60.48 3dxj s VAL 904 Cb 0.49 -1.00 -0.06 0.00 0.56 0.00 0.00 36.38 36.37 3dxj s VAL 904 CO 0.02 0.00 1.42 -2.84 -0.31 0.00 0.00 175.10 173.39 3dxj s PRO 905 N -2.31 4.29 0.31 4.82 0.02 -1.16 -4.88 135.00 136.08 3dxj s PRO 905 Ca -0.06 2.03 -0.29 0.00 0.02 0.00 0.00 61.00 62.69 3dxj s PRO 905 Cb -0.00 -3.49 -0.11 0.00 0.02 0.00 0.00 34.50 30.91 3dxj s PRO 905 CO -0.00 -0.55 1.51 -0.65 -0.33 0.00 0.00 177.00 176.98 3dxj s GLN 906 N 2.08 4.17 0.09 5.54 -1.52 -1.25 -4.99 119.66 123.78 3dxj s GLN 906 Ca 0.65 2.49 -0.12 0.00 -1.95 0.00 0.00 55.36 56.43 3dxj s GLN 906 Cb -0.34 -3.03 0.02 0.00 -0.22 0.00 0.00 33.01 29.44 3dxj s GLN 906 CO 0.28 -0.53 0.29 -1.83 -0.25 0.00 0.00 175.29 173.25 3dxj s GLU 907 N -0.98 0.92 0.00 2.91 4.04 -1.26 -3.71 118.70 120.61 3dxj s GLU 907 Ca 0.59 -0.77 0.00 0.00 0.04 0.00 0.00 54.97 54.83 3dxj s GLU 907 Cb -0.46 0.39 0.00 0.00 0.02 0.00 0.00 34.13 34.08 3dxj s GLU 907 CO 0.51 -0.32 0.00 1.17 -1.84 0.00 0.00 175.26 174.78 3dxj n LYS 908 N 0.02 0.00 0.00 -4.83 4.81 -1.13 -0.30 118.16 116.73 3dxj n LYS 908 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.28 3dxj n LYS 908 Cb 0.62 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.67 3dxj n LYS 908 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3dxj n ASN 909 N -0.28 0.00 -0.23 3.14 3.02 -1.26 0.91 115.26 120.56 3dxj n ASN 909 Ca 0.00 0.89 -0.03 0.00 -0.03 0.00 0.00 54.58 55.42 3dxj n ASN 909 Cb 0.00 -0.39 -0.00 0.00 -0.61 0.00 0.00 39.78 38.77 3dxj n ASN 909 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3dxj n SER 910 N -2.27 -0.45 0.27 6.41 3.41 0.58 0.14 113.62 121.71 3dxj n SER 910 Ca 0.00 1.01 -0.12 0.00 -0.26 0.00 0.00 58.87 59.50 3dxj n SER 910 Cb 0.00 -0.20 -0.06 0.00 -0.26 0.00 0.00 64.21 63.70 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 -0.71 -0.64 1.04 3.38 -0.44 0.14 115.31 118.08 3dxj h LEU 911 Ca 0.16 0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.23 3dxj h LEU 911 Cb 0.31 0.20 -0.08 0.00 0.09 0.00 0.00 40.66 41.18 3dxj h LEU 911 CO -0.56 -0.45 -0.38 1.17 0.09 0.00 0.00 178.44 178.31 3dxj n LYS 912 N -4.12 -0.28 0.13 1.13 4.81 0.36 -0.30 118.16 119.89 3dxj n LYS 912 Ca -0.09 0.98 -0.14 0.00 -0.87 0.00 0.00 58.31 58.19 3dxj n LYS 912 Cb 0.30 -1.44 -0.07 0.00 0.02 0.00 0.00 35.03 33.84 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 -1.06 -0.69 3.14 3.32 0.52 -2.57 116.42 119.08 3dxj h ASP 913 Ca 0.10 0.12 0.12 0.00 0.02 0.00 0.00 57.03 57.39 3dxj h ASP 913 Cb 0.26 0.39 -0.13 0.00 0.22 0.00 0.00 39.33 40.08 3dxj h ASP 913 CO -0.60 -0.46 -0.32 0.25 -1.72 0.00 0.00 179.24 176.39 3dxj h LEU 914 N -0.62 -1.15 -0.67 1.55 5.85 0.22 0.11 115.31 120.61 3dxj h LEU 914 Ca 0.02 0.24 0.09 0.00 0.84 0.00 0.00 57.88 59.07 3dxj h LEU 914 Cb 0.63 0.60 -0.11 0.00 0.37 0.00 0.00 40.66 42.15 3dxj h LEU 914 CO -0.20 -0.29 -0.49 0.58 -0.34 0.00 0.00 178.44 177.70 3dxj h VAL 915 N -0.11 0.04 -0.64 1.05 2.07 -0.72 1.00 116.25 118.94 3dxj h VAL 915 Ca 0.27 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.89 3dxj h VAL 915 Cb 0.56 0.04 -0.11 0.00 -1.52 0.00 0.00 31.29 30.26 3dxj h VAL 915 CO -0.76 0.00 -0.44 0.22 0.02 0.00 0.00 177.57 176.62 3dxj h TYR 916 N -0.20 -1.29 -0.34 1.57 3.20 -0.51 0.31 116.97 119.71 3dxj h TYR 916 Ca 0.17 0.09 0.07 0.00 3.14 0.00 0.00 58.73 62.20 3dxj h TYR 916 Cb 0.54 0.66 -0.08 0.00 1.54 0.00 0.00 36.73 39.38 3dxj h TYR 916 CO -0.79 -0.42 -0.31 1.96 -1.64 0.00 0.00 178.16 176.96 3dxj h GLN 917 N -0.19 -0.26 -0.60 1.82 1.08 -0.22 0.16 115.11 116.91 3dxj h GLN 917 Ca 0.19 0.02 0.08 0.00 -1.45 0.00 0.00 58.65 57.49 3dxj h GLN 917 Cb 0.56 0.06 -0.10 0.00 -0.05 0.00 0.00 27.48 27.94 3dxj h GLN 917 CO -0.73 -0.17 -0.48 0.00 -0.95 0.00 0.00 178.83 176.50 3dxj h ALA 918 N 0.73 -0.43 -0.52 3.87 0.00 0.17 0.62 119.26 123.70 3dxj h ALA 918 Ca 0.16 0.09 0.10 0.00 0.00 0.00 0.00 54.91 55.26 3dxj h ALA 918 Cb 0.53 1.04 -0.10 0.00 0.00 0.00 0.00 17.79 19.26 3dxj h ALA 918 CO -0.49 -0.89 -0.11 0.35 0.00 0.00 0.00 179.25 178.11 3dxj h PHE 919 N -0.24 -0.24 0.00 0.00 3.04 0.15 1.55 116.94 121.21 3dxj h PHE 919 Ca 0.16 0.05 0.00 0.00 3.98 0.00 0.00 57.97 62.15 3dxj h PHE 919 Cb 0.56 0.18 0.00 0.00 2.56 0.00 0.00 35.95 39.25 3dxj h PHE 919 CO -0.75 -0.21 0.00 1.28 -2.02 0.00 0.00 178.31 176.61 3dxj n LEU 920 N -5.35 0.32 -0.32 0.59 4.77 0.35 -3.70 117.00 113.66 3dxj n LEU 920 Ca 0.05 0.67 0.22 0.00 -0.03 0.00 0.00 56.01 56.92 3dxj n LEU 920 Cb 0.28 -0.31 0.43 0.00 -2.33 0.00 0.00 43.42 41.48 3dxj n LEU 920 CO 0.10 -0.31 1.04 0.03 -1.33 0.00 0.00 177.39 176.92 3dxj h ARG 921 N 0.00 0.21 -5.56 3.23 2.47 0.19 -3.42 114.38 111.50 3dxj h ARG 921 Ca 0.00 -0.01 -0.44 0.00 -1.26 0.00 0.00 59.98 58.26 3dxj h ARG 921 Cb 0.00 -0.05 -0.16 0.00 -1.65 0.00 0.00 29.97 28.12 3dxj h ARG 921 CO 0.00 0.14 -0.74 -0.51 0.56 0.00 0.00 179.97 179.42 3dxj s LEU 922 N -10.55 2.51 0.16 3.04 1.43 0.53 -5.04 118.68 110.76 3dxj s LEU 922 Ca -0.11 -0.96 -0.34 0.00 -1.03 0.00 0.00 54.13 51.70 3dxj s LEU 922 Cb 0.30 -0.65 -0.15 0.00 0.03 0.00 0.00 46.19 45.72 3dxj s LEU 922 CO 0.78 -0.16 1.36 0.61 0.23 0.00 0.00 176.35 179.18 3dxj n GLY 923 N -0.09 0.58 0.28 -3.19 0.00 -1.26 -4.03 105.19 97.48 3dxj n GLY 923 Ca -0.10 0.59 0.03 0.00 0.00 0.00 0.00 46.02 46.54 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 4.47 0.03 -0.74 1.61 -0.00 -1.88 0.48 114.93 118.89 3dxj h MET 924 Ca -0.45 -0.00 0.12 0.00 -0.00 0.00 0.00 59.70 59.37 3dxj h MET 924 Cb 1.30 -0.01 -0.08 0.00 -0.00 0.00 0.00 31.60 32.81 3dxj h MET 924 CO 0.78 0.02 0.33 1.05 -0.00 0.00 0.00 176.91 179.09 3dxj h GLU 925 N 0.03 0.50 -0.26 -0.10 4.11 -1.89 0.67 114.58 117.65 3dxj h GLU 925 Ca 0.38 -0.03 -0.10 0.00 0.07 0.00 0.00 59.36 59.68 3dxj h GLU 925 Cb 0.62 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 3dxj h GLU 925 CO -0.74 0.33 -0.27 -0.22 0.07 0.00 0.00 179.01 178.18 3dxj h LYS 926 N 0.52 0.51 -0.24 1.06 3.64 -0.58 -1.45 116.57 120.02 3dxj h LYS 926 Ca 0.39 -0.20 0.07 0.00 -1.27 0.00 0.00 60.65 59.64 3dxj h LYS 926 Cb 0.52 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 3dxj h LYS 926 CO -0.34 0.74 0.21 1.15 -2.27 0.00 0.00 179.45 178.93 3dxj h THR 927 N 0.45 0.64 0.00 1.00 2.02 0.37 -2.83 112.91 114.56 3dxj h THR 927 Ca 0.06 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.24 3dxj h THR 927 Cb 0.70 0.84 0.00 0.00 -1.74 0.00 0.00 68.15 67.95 3dxj h THR 927 CO 0.05 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.94 3dxj n ALA 928 N -2.46 -0.40 -0.20 6.16 0.00 0.00 -2.66 120.51 120.96 3dxj n ALA 928 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.46 3dxj n ALA 928 Cb 0.36 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.82 3dxj n ALA 928 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3dxj n ARG 929 N -1.93 -0.13 -0.10 0.00 1.74 -1.08 0.63 116.66 115.79 3dxj n ARG 929 Ca 0.00 0.77 -0.13 0.00 -0.77 0.00 0.00 57.85 57.72 3dxj n ARG 929 Cb 0.00 -1.14 -0.09 0.00 -1.02 0.00 0.00 32.46 30.21 3dxj n ARG 929 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3dxj h LEU 930 N 0.00 -1.73 -1.36 0.55 5.85 -1.51 0.16 115.31 117.27 3dxj h LEU 930 Ca 0.16 0.23 0.21 0.00 0.84 0.00 0.00 57.88 59.32 3dxj h LEU 930 Cb 0.29 0.71 -0.08 0.00 0.37 0.00 0.00 40.66 41.94 3dxj h LEU 930 CO -0.49 -0.42 0.62 -0.07 -0.34 0.00 0.00 178.44 177.74 3dxj h LEU 931 N -0.43 0.50 0.21 2.25 3.38 0.42 0.17 115.31 121.81 3dxj h LEU 931 Ca 0.08 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3dxj h LEU 931 Cb 0.62 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.34 3dxj h LEU 931 CO -0.55 0.18 -0.10 0.44 0.09 0.00 0.00 178.44 178.49 3dxj h ASP 932 N 0.49 -0.24 -0.77 -0.43 3.32 -0.76 0.11 116.42 118.14 3dxj h ASP 932 Ca 0.52 -0.28 0.07 0.00 0.02 0.00 0.00 57.03 57.36 3dxj h ASP 932 Cb 1.19 0.06 -0.09 0.00 0.22 0.00 0.00 39.33 40.71 3dxj h ASP 932 CO -0.25 0.21 -0.46 0.00 -1.72 0.00 0.00 179.24 177.03 3dxj n ALA 933 N -2.49 -0.50 -0.11 3.45 0.00 0.40 0.20 120.51 121.47 3dxj n ALA 933 Ca -0.09 0.66 -0.10 0.00 0.00 0.00 0.00 53.44 53.91 3dxj n ALA 933 Cb 0.26 -0.02 -0.04 0.00 0.00 0.00 0.00 19.45 19.65 3dxj n ALA 933 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3dxj h LEU 934 N 0.00 -1.35 -0.37 0.00 3.38 -0.77 0.11 115.31 116.31 3dxj h LEU 934 Ca 0.12 0.21 0.04 0.00 0.09 0.00 0.00 57.88 58.34 3dxj h LEU 934 Cb 0.32 0.59 -0.05 0.00 0.09 0.00 0.00 40.66 41.61 3dxj h LEU 934 CO -0.73 -0.37 -0.31 0.50 0.09 0.00 0.00 178.44 177.63 3dxj h LYS 935 N -0.33 -0.11 0.00 1.13 3.64 0.39 0.68 116.57 121.98 3dxj h LYS 935 Ca 0.14 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3dxj h LYS 935 Cb 0.58 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 3dxj h LYS 935 CO -0.55 -0.07 0.00 0.98 -2.27 0.00 0.00 179.45 177.54 3dxj n TYR 936 N -4.17 0.00 -0.38 1.91 -0.00 0.53 -2.09 117.16 112.96 3dxj n TYR 936 Ca -0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.90 57.88 3dxj n TYR 936 Cb 0.16 0.00 0.03 0.00 -0.00 0.00 0.00 39.34 39.53 3dxj n TYR 936 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.86 177.52 3dxj n TYR 937 N -0.30 -0.00 -0.26 2.98 4.02 -0.52 -0.65 117.16 122.43 3dxj n TYR 937 Ca 0.00 1.22 0.00 0.00 -0.01 0.00 0.00 57.90 59.11 3dxj n TYR 937 Cb 0.00 -0.85 0.04 0.00 -0.02 0.00 0.00 39.34 38.51 3dxj n TYR 937 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3dxj n GLY 938 N -1.45 -1.37 0.00 2.72 0.00 0.24 -0.92 105.19 104.41 3dxj n GLY 938 Ca 0.10 0.77 0.00 0.00 0.00 0.00 0.00 46.02 46.88 3dxj n GLY 938 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3dxj n PHE 939 N -5.04 0.00 0.00 1.61 0.99 0.18 -1.59 117.46 113.60 3dxj n PHE 939 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.53 3dxj n PHE 939 Cb 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.77 3dxj n PHE 939 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 3dxj n THR 940 N -0.04 0.00 -0.08 4.37 -2.24 -1.12 0.42 114.28 115.58 3dxj n THR 940 Ca 0.00 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.69 3dxj n THR 940 Cb 0.00 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.21 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 0.38 -0.80 4.78 0.05 -1.09 -1.80 116.94 118.46 3dxj h PHE 941 Ca 0.00 -0.01 -0.03 0.00 3.82 0.00 0.00 57.97 61.75 3dxj h PHE 941 Cb 0.00 -0.12 -0.04 0.00 2.00 0.00 0.00 35.95 37.79 3dxj h PHE 941 CO 0.00 0.30 0.36 0.66 -0.18 0.00 0.00 178.31 179.46 3dxj h SER 942 N 0.35 1.06 0.00 2.17 4.64 0.94 -1.03 113.55 121.67 3dxj h SER 942 Ca 0.10 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 3dxj h SER 942 Cb 0.04 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 61.86 3dxj h SER 942 CO -0.02 0.91 0.00 0.41 -0.87 0.00 0.00 176.83 177.26 3dxj n THR 943 N -4.33 0.00 -0.27 2.95 -1.04 -0.13 -3.34 114.28 108.12 3dxj n THR 943 Ca 0.07 1.45 0.07 0.00 -2.04 0.00 0.00 64.05 63.60 3dxj n THR 943 Cb 0.15 -2.31 0.21 0.00 -1.82 0.00 0.00 70.33 66.57 3dxj n THR 943 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 3dxj h THR 944 N 0.00 0.59 0.00 12.58 1.35 -1.35 -3.08 112.91 123.00 3dxj h THR 944 Ca 0.00 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.72 3dxj h THR 944 Cb 0.00 0.15 0.00 0.00 -1.73 0.00 0.00 68.15 66.57 3dxj h THR 944 CO 0.00 0.07 0.91 -1.54 -0.25 0.00 0.00 175.52 174.71 3dxj n SER 945 N -5.04 0.00 -2.77 5.36 3.41 -0.39 -4.78 113.62 109.40 3dxj n SER 945 Ca 0.16 0.43 -0.11 0.00 -0.26 0.00 0.00 58.87 59.09 3dxj n SER 945 Cb 0.48 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.48 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 -1.40 -0.52 3.06 5.00 0.00 -1.17 -5.04 105.19 105.12 3dxj n GLY 946 Ca 0.00 0.28 -0.32 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.28 1.96 0.00 -0.61 2.07 -1.26 -5.09 121.20 114.99 3dxj s ILE 947 Ca 0.27 -1.23 0.00 0.00 -1.41 0.00 0.00 60.65 58.29 3dxj s ILE 947 Cb -0.04 -1.97 0.00 0.00 0.13 0.00 0.00 42.46 40.58 3dxj s ILE 947 CO 0.54 0.20 0.00 0.35 -1.91 0.00 0.00 174.94 174.12 3dxj n THR 948 N 4.57 0.00 -3.48 4.00 -2.24 -1.26 -5.10 114.28 110.76 3dxj n THR 948 Ca -0.16 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.42 3dxj n THR 948 Cb 0.46 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.56 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 1.60 -0.30 0.15 2.28 1.01 -1.26 -4.78 121.20 119.91 3dxj s ILE 949 Ca 0.00 -0.29 0.04 0.00 0.00 0.00 0.00 60.65 60.40 3dxj s ILE 949 Cb 0.00 -0.78 -0.04 0.00 0.01 0.00 0.00 42.46 41.65 3dxj s ILE 949 CO 0.00 -0.34 0.17 -0.83 0.00 0.00 0.00 174.94 173.95 3dxj s GLY 950 N 2.29 1.75 0.29 6.18 0.00 -1.26 -4.99 107.32 111.58 3dxj s GLY 950 Ca 0.07 -1.14 0.03 0.00 0.00 0.00 0.00 44.72 43.69 3dxj s GLY 950 CO -0.20 -1.14 1.76 1.19 0.00 0.00 0.00 173.10 174.71 3dxj h ILE 951 N 1.97 0.69 0.00 0.90 6.09 -2.02 0.43 117.51 125.57 3dxj h ILE 951 Ca -0.48 -0.23 0.00 0.00 -1.37 0.00 0.00 64.86 62.78 3dxj h ILE 951 Cb 1.19 -0.05 0.00 0.00 0.47 0.00 0.00 36.82 38.43 3dxj h ILE 951 CO 0.65 0.12 0.00 0.47 -3.07 0.00 0.00 178.15 176.33 3dxj n ASP 952 N -4.83 0.00 0.07 2.19 9.92 -1.26 -1.65 116.55 120.99 3dxj n ASP 952 Ca 0.21 -0.25 0.12 0.00 -0.53 0.00 0.00 54.79 54.34 3dxj n ASP 952 Cb 0.53 0.00 0.14 0.00 -0.64 0.00 0.00 41.12 41.15 3dxj n ASP 952 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 3dxj h ASP 953 N 0.00 0.00 -0.17 -2.24 5.19 -0.52 -3.33 116.42 115.35 3dxj h ASP 953 Ca 0.00 -0.19 -0.14 0.00 -0.62 0.00 0.00 57.03 56.07 3dxj h ASP 953 Cb 0.00 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 39.45 3dxj h ASP 953 CO 0.00 0.10 0.02 0.00 -3.12 0.00 0.00 179.24 176.24 3dxj n ALA 954 N -1.88 4.94 -1.36 3.45 0.00 -0.66 -4.81 120.51 120.19 3dxj n ALA 954 Ca 0.03 -0.96 -0.60 0.00 0.00 0.00 0.00 53.44 51.90 3dxj n ALA 954 Cb 0.46 -1.46 -0.11 0.00 0.00 0.00 0.00 19.45 18.34 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 1.46 0.03 -3.26 0.00 0.31 -1.25 -4.51 118.33 111.10 3dxj n VAL 955 Ca 0.19 -0.03 -0.39 0.00 -0.01 0.00 0.00 64.34 64.10 3dxj n VAL 955 Cb 0.61 -0.64 -0.07 0.00 -0.91 0.00 0.00 33.84 32.83 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 5.58 5.11 0.23 2.52 1.01 -1.26 -4.87 121.20 129.52 3dxj s ILE 956 Ca 1.16 0.92 -0.30 0.00 0.00 0.00 0.00 60.65 62.42 3dxj s ILE 956 Cb -1.42 -3.83 -0.10 0.00 0.01 0.00 0.00 42.46 37.12 3dxj s ILE 956 CO 0.67 0.18 1.48 -2.84 0.00 0.00 0.00 174.94 174.42 3dxj s PRO 957 N 1.64 4.25 0.63 2.79 0.02 -1.26 -4.90 135.00 138.17 3dxj s PRO 957 Ca 0.23 2.32 0.37 0.00 0.02 0.00 0.00 61.00 63.94 3dxj s PRO 957 Cb -0.15 -3.12 2.08 0.00 0.02 0.00 0.00 34.50 33.32 3dxj s PRO 957 CO 0.09 -0.47 2.27 1.49 -0.33 0.00 0.00 177.00 180.05 3dxj h GLU 958 N 5.48 0.00 0.00 5.54 4.57 -1.99 -1.78 114.58 126.40 3dxj h GLU 958 Ca -0.45 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.73 3dxj h GLU 958 Cb 1.21 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.80 3dxj h GLU 958 CO 0.81 0.00 0.07 0.93 -1.18 0.00 0.00 179.01 179.65 3dxj h GLU 959 N 0.00 0.00 0.00 1.92 3.07 -2.00 -3.02 114.58 114.55 3dxj h GLU 959 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 3dxj h GLU 959 Cb 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.01 3dxj h GLU 959 CO -0.00 0.00 0.00 1.17 -1.40 0.00 0.00 179.01 178.78 3dxj n LYS 960 N -2.63 0.00 -0.26 2.33 4.81 -0.67 -1.21 118.16 120.52 3dxj n LYS 960 Ca -0.02 0.66 0.06 0.00 -0.87 0.00 0.00 58.31 58.13 3dxj n LYS 960 Cb 0.12 -1.39 0.13 0.00 0.02 0.00 0.00 35.03 33.91 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 -2.15 -0.06 0.00 1.64 4.76 -1.14 0.89 118.16 122.10 3dxj n LYS 961 Ca 0.00 1.14 0.00 0.00 -2.87 0.00 0.00 58.31 56.58 3dxj n LYS 961 Cb 0.00 -1.72 0.00 0.00 -1.84 0.00 0.00 35.03 31.47 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 -5.15 0.00 -0.42 1.97 6.02 -0.56 0.10 117.38 119.33 3dxj n GLN 962 Ca 0.13 0.06 0.36 0.00 -0.01 0.00 0.00 57.00 57.54 3dxj n GLN 962 Cb 0.41 -0.68 0.64 0.00 1.02 0.00 0.00 30.24 31.63 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 0.61 0.16 1.08 0.05 -0.68 0.98 116.97 119.17 3dxj h TYR 963 Ca 0.00 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.81 3dxj h TYR 963 Cb 0.00 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 37.58 3dxj h TYR 963 CO 0.00 -0.30 -0.28 -0.07 -1.05 0.00 0.00 178.16 176.47 3dxj h LEU 964 N 0.05 -0.80 0.00 3.88 3.38 0.73 1.07 115.31 123.62 3dxj h LEU 964 Ca 0.85 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.89 3dxj h LEU 964 Cb 2.56 0.28 0.00 0.00 0.09 0.00 0.00 40.66 43.60 3dxj h LEU 964 CO -0.53 -0.33 0.00 1.21 0.09 0.00 0.00 178.44 178.89 3dxj n GLU 965 N -4.03 0.00 -0.14 1.13 4.07 0.29 -0.75 120.64 121.21 3dxj n GLU 965 Ca -0.05 0.39 -0.00 0.00 -0.06 0.00 0.00 57.16 57.43 3dxj n GLU 965 Cb 0.23 -1.34 0.01 0.00 -0.06 0.00 0.00 31.44 30.29 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 -1.59 -0.08 0.32 5.31 1.02 0.16 0.26 120.64 126.04 3dxj n GLU 966 Ca 0.00 0.55 -0.18 0.00 -0.02 0.00 0.00 57.16 57.51 3dxj n GLU 966 Cb 0.00 -0.82 -0.09 0.00 -0.02 0.00 0.00 31.44 30.51 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 0.49 -1.00 -0.40 0.62 0.00 0.14 -3.14 119.26 115.98 3dxj h ALA 967 Ca 0.12 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 54.93 3dxj h ALA 967 Cb 0.21 0.55 -0.09 0.00 0.00 0.00 0.00 17.79 18.46 3dxj h ALA 967 CO -0.36 -1.09 -0.32 0.22 0.00 0.00 0.00 179.25 177.71 3dxj h ASP 968 N -0.95 -1.07 -0.92 0.00 1.82 0.58 -1.86 116.42 114.03 3dxj h ASP 968 Ca -0.07 0.19 0.26 0.00 -0.39 0.00 0.00 57.03 57.02 3dxj h ASP 968 Cb 0.80 0.50 -0.16 0.00 0.68 0.00 0.00 39.33 41.15 3dxj h ASP 968 CO 0.02 -0.32 0.19 0.08 -1.61 0.00 0.00 179.24 177.61 3dxj h ARG 969 N -0.25 0.12 -0.12 0.28 0.11 -1.20 0.46 114.38 113.78 3dxj h ARG 969 Ca 0.17 -0.01 0.03 0.00 0.10 0.00 0.00 59.98 60.28 3dxj h ARG 969 Cb 0.54 -0.03 -0.06 0.00 1.11 0.00 0.00 29.97 31.52 3dxj h ARG 969 CO -0.54 0.08 -0.49 -0.22 0.10 0.00 0.00 179.97 178.90 3dxj h LYS 970 N 0.12 -0.54 -0.31 0.08 1.63 -1.34 -2.33 116.57 113.88 3dxj h LYS 970 Ca 0.59 0.04 0.03 0.00 -0.85 0.00 0.00 60.65 60.45 3dxj h LYS 970 Cb 1.24 0.12 -0.04 0.00 -0.60 0.00 0.00 32.23 32.95 3dxj h LYS 970 CO -0.75 -0.36 -0.18 1.28 -3.45 0.00 0.00 179.45 175.99 3dxj n LEU 971 N -5.44 -0.32 0.12 5.20 4.77 0.16 0.16 117.00 121.65 3dxj n LEU 971 Ca -0.05 0.57 -0.14 0.00 -0.03 0.00 0.00 56.01 56.36 3dxj n LEU 971 Cb 0.38 -0.08 -0.07 0.00 -2.33 0.00 0.00 43.42 41.32 3dxj n LEU 971 CO 0.10 -0.46 0.60 -0.07 -1.33 0.00 0.00 177.39 176.24 3dxj h LEU 972 N 0.00 -1.15 -0.97 2.23 3.38 -1.44 0.86 115.31 118.22 3dxj h LEU 972 Ca 0.05 0.13 0.31 0.00 0.09 0.00 0.00 57.88 58.46 3dxj h LEU 972 Cb 0.13 0.43 -0.17 0.00 0.09 0.00 0.00 40.66 41.14 3dxj h LEU 972 CO -0.29 -0.47 0.29 1.56 0.09 0.00 0.00 178.44 179.63 3dxj h GLN 973 N -0.63 0.09 -0.11 1.13 4.20 0.18 0.81 115.11 120.77 3dxj h GLN 973 Ca 0.02 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.70 3dxj h GLN 973 Cb 0.66 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.41 3dxj h GLN 973 CO -0.23 0.06 -0.06 0.82 -0.67 0.00 0.00 178.83 178.76 3dxj h ILE 974 N 0.09 1.32 0.09 2.54 2.04 0.17 -3.13 117.51 120.62 3dxj h ILE 974 Ca 0.68 -1.08 0.01 0.00 1.00 0.00 0.00 64.86 65.47 3dxj h ILE 974 Cb 1.56 1.79 -0.02 0.00 -0.74 0.00 0.00 36.82 39.41 3dxj h ILE 974 CO -0.78 0.31 -0.15 -0.08 0.00 0.00 0.00 178.15 177.46 3dxj h GLU 975 N -0.11 -0.28 -0.65 2.37 4.57 0.71 -2.83 114.58 118.36 3dxj h GLU 975 Ca 0.03 0.02 0.12 0.00 -1.18 0.00 0.00 59.36 58.35 3dxj h GLU 975 Cb 0.51 0.06 -0.09 0.00 -0.16 0.00 0.00 28.75 29.08 3dxj h GLU 975 CO 0.02 -0.19 0.19 1.96 -1.18 0.00 0.00 179.01 179.81 3dxj h GLN 976 N -0.29 0.32 0.00 1.92 4.20 -0.80 0.31 115.11 120.77 3dxj h GLN 976 Ca 0.02 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3dxj h GLN 976 Cb 0.31 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.01 3dxj h GLN 976 CO -0.08 0.21 0.00 0.00 -0.67 0.00 0.00 178.83 178.29 3dxj h ALA 977 N 1.50 1.00 0.07 3.87 0.00 -1.44 0.53 119.26 124.78 3dxj h ALA 977 Ca 0.35 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.97 3dxj h ALA 977 Cb 0.51 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3dxj h ALA 977 CO -0.40 0.00 -1.52 -0.92 0.00 0.00 0.00 179.25 176.41 3dxj h TYR 978 N 0.00 0.29 0.00 0.00 3.20 -0.24 -1.62 116.97 118.60 3dxj h TYR 978 Ca 0.00 -0.21 -0.04 0.00 3.14 0.00 0.00 58.73 61.62 3dxj h TYR 978 Cb 0.08 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 3dxj h TYR 978 CO 0.00 1.60 -0.21 1.49 -1.64 0.00 0.00 178.16 179.40 3dxj h GLU 979 N -0.45 0.00 -0.08 1.82 4.81 -0.48 -1.19 114.58 119.01 3dxj h GLU 979 Ca -0.35 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 58.74 3dxj h GLU 979 Cb 1.67 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.03 3dxj h GLU 979 CO -0.03 0.21 -0.56 0.52 -0.73 0.00 0.00 179.01 178.42 3dxj h MET 980 N 0.00 0.23 0.00 1.92 2.86 -0.07 -3.47 114.93 116.40 3dxj h MET 980 Ca -0.00 -0.15 0.00 0.00 -2.06 0.00 0.00 59.70 57.49 3dxj h MET 980 Cb 0.63 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.31 3dxj h MET 980 CO 0.03 0.73 0.00 0.41 1.06 0.00 0.00 176.91 179.14 3dxj n GLY 981 N 0.16 2.45 0.34 8.32 0.00 -0.45 -4.95 105.19 111.06 3dxj n GLY 981 Ca -0.02 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.13 3dxj n GLY 981 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3dxj h PHE 982 N 0.00 0.00 -4.35 1.61 -1.00 -1.55 -3.41 116.94 108.24 3dxj h PHE 982 Ca 0.00 0.00 -0.60 0.00 2.81 0.00 0.00 57.97 60.18 3dxj h PHE 982 Cb 0.00 0.00 -0.30 0.00 3.61 0.00 0.00 35.95 39.26 3dxj h PHE 982 CO 0.00 0.00 -0.85 -0.51 -1.61 0.00 0.00 178.31 175.34 3dxj s LEU 983 N -5.65 2.03 0.41 1.54 1.43 -0.95 -5.01 118.68 112.49 3dxj s LEU 983 Ca -0.03 -0.37 -0.16 0.00 -1.03 0.00 0.00 54.13 52.54 3dxj s LEU 983 Cb 0.07 -1.06 -0.09 0.00 0.03 0.00 0.00 46.19 45.15 3dxj s LEU 983 CO 0.23 0.24 0.86 0.28 0.23 0.00 0.00 176.35 178.19 3dxj s THR 984 N -0.41 4.58 0.19 5.49 -1.32 -1.26 -4.78 115.64 118.12 3dxj s THR 984 Ca 0.06 1.10 -0.16 0.00 -1.21 0.00 0.00 61.69 61.49 3dxj s THR 984 Cb -0.08 -3.66 0.16 0.00 -1.51 0.00 0.00 72.50 67.41 3dxj s THR 984 CO -0.00 -0.41 1.64 0.44 -2.21 0.00 0.00 174.62 174.08 3dxj h ASP 985 N 1.65 -0.58 0.45 8.08 3.45 -1.98 -0.40 116.42 127.09 3dxj h ASP 985 Ca -0.48 0.16 -0.02 0.00 0.43 0.00 0.00 57.03 57.13 3dxj h ASP 985 Cb 1.18 0.36 -0.01 0.00 -0.56 0.00 0.00 39.33 40.30 3dxj h ASP 985 CO 0.63 -0.20 -0.32 -0.09 -1.57 0.00 0.00 179.24 177.69 3dxj h ARG 986 N -0.04 -0.70 -0.50 3.56 9.65 -1.98 0.44 114.38 124.81 3dxj h ARG 986 Ca 0.24 0.05 0.04 0.00 -1.10 0.00 0.00 59.98 59.22 3dxj h ARG 986 Cb 0.41 0.16 -0.06 0.00 -1.39 0.00 0.00 29.97 29.09 3dxj h ARG 986 CO -0.55 -0.47 -0.29 0.39 2.80 0.00 0.00 179.97 181.85 3dxj n GLU 987 N -4.32 -0.22 0.00 0.20 1.02 -0.90 0.71 120.64 117.14 3dxj n GLU 987 Ca -0.09 0.79 0.00 0.00 -0.02 0.00 0.00 57.16 57.84 3dxj n GLU 987 Cb 0.31 -1.17 0.00 0.00 -0.02 0.00 0.00 31.44 30.57 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 -4.51 0.00 0.00 3.49 0.63 -0.21 -0.83 116.66 115.24 3dxj n ARG 988 Ca 0.01 0.30 0.00 0.00 -0.92 0.00 0.00 57.85 57.24 3dxj n ARG 988 Cb 0.13 -0.94 0.00 0.00 0.45 0.00 0.00 32.46 32.10 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 -0.74 0.00 -0.33 -0.14 9.36 0.22 0.54 117.16 126.08 3dxj n TYR 989 Ca 0.00 0.00 -0.04 0.00 3.32 0.00 0.00 57.90 61.18 3dxj n TYR 989 Cb 0.00 0.00 0.01 0.00 -0.63 0.00 0.00 39.34 38.72 3dxj n TYR 989 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 3dxj h ASP 990 N 0.00 -1.44 -0.91 2.98 3.32 -1.12 0.34 116.42 119.59 3dxj h ASP 990 Ca 0.00 0.29 0.26 0.00 0.02 0.00 0.00 57.03 57.60 3dxj h ASP 990 Cb 0.00 0.73 -0.14 0.00 0.22 0.00 0.00 39.33 40.13 3dxj h ASP 990 CO 0.00 -0.29 0.31 -0.61 -1.72 0.00 0.00 179.24 176.93 3dxj h GLN 991 N -0.06 0.22 0.64 3.56 4.15 0.22 0.46 115.11 124.29 3dxj h GLN 991 Ca 0.29 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.67 3dxj h GLN 991 Cb 0.57 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.20 3dxj h GLN 991 CO -0.89 0.15 -0.43 0.82 -1.93 0.00 0.00 178.83 176.56 3dxj h ILE 992 N 0.23 0.14 -0.13 2.39 2.04 0.64 -1.38 117.51 121.44 3dxj h ILE 992 Ca 0.60 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.48 3dxj h ILE 992 Cb 1.26 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 3dxj h ILE 992 CO -0.65 0.00 -0.15 -0.07 0.00 0.00 0.00 178.15 177.28 3dxj h LEU 993 N -1.01 -0.50 -0.69 1.44 3.38 0.42 -0.36 115.31 117.98 3dxj h LEU 993 Ca -0.08 0.07 0.07 0.00 0.09 0.00 0.00 57.88 58.02 3dxj h LEU 993 Cb 0.83 0.21 -0.08 0.00 0.09 0.00 0.00 40.66 41.70 3dxj h LEU 993 CO 0.06 -0.10 -0.40 1.67 0.09 0.00 0.00 178.44 179.76 3dxj n GLN 994 N -3.43 -0.29 0.00 1.13 -0.06 0.90 -0.81 117.38 114.83 3dxj n GLN 994 Ca -0.01 1.04 0.00 0.00 -2.00 0.00 0.00 57.00 56.04 3dxj n GLN 994 Cb 0.09 -1.53 0.00 0.00 -4.06 0.00 0.00 30.24 24.73 3dxj n GLN 994 CO 0.00 0.00 0.00 -0.11 -0.20 0.00 0.00 177.06 176.75 3dxj n LEU 995 N -4.87 0.00 -0.24 1.69 7.94 -0.22 -0.62 117.00 120.67 3dxj n LEU 995 Ca 0.02 0.75 -0.05 0.00 -1.11 0.00 0.00 56.01 55.63 3dxj n LEU 995 Cb 0.19 -0.25 0.01 0.00 0.53 0.00 0.00 43.42 43.89 3dxj n LEU 995 CO -0.11 -0.25 0.62 -0.50 -1.11 0.00 0.00 177.39 176.03 3dxj h TRP 996 N 0.00 -0.98 -0.91 1.96 4.06 -0.37 0.39 115.95 120.10 3dxj h TRP 996 Ca 0.00 0.08 0.11 0.00 2.06 0.00 0.00 58.89 61.14 3dxj h TRP 996 Cb 0.00 0.53 -0.13 0.00 -1.00 0.00 0.00 29.16 28.56 3dxj h TRP 996 CO -0.47 -0.39 -0.51 1.15 -3.56 0.00 0.00 178.44 174.66 3dxj h THR 997 N -0.13 0.01 0.08 1.49 2.02 -0.37 2.00 112.91 118.01 3dxj h THR 997 Ca 0.25 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.45 3dxj h THR 997 Cb 0.56 0.01 -0.04 0.00 -1.74 0.00 0.00 68.15 66.95 3dxj h THR 997 CO -0.74 0.00 -0.25 -0.08 0.37 0.00 0.00 175.52 174.82 3dxj h GLU 998 N -0.05 -0.42 0.11 6.66 4.81 0.19 -1.03 114.58 124.85 3dxj h GLU 998 Ca 0.22 0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.49 3dxj h GLU 998 Cb 0.50 0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.93 3dxj h GLU 998 CO -0.91 -0.28 -0.42 1.15 -0.73 0.00 0.00 179.01 177.83 3dxj h THR 999 N -0.43 0.16 -0.90 0.32 2.02 0.29 0.87 112.91 115.24 3dxj h THR 999 Ca 0.04 0.00 0.24 0.00 0.77 0.00 0.00 66.41 67.46 3dxj h THR 999 Cb 0.47 0.16 -0.17 0.00 -1.74 0.00 0.00 68.15 66.88 3dxj h THR 999 CO -0.16 0.00 -0.02 0.41 0.37 0.00 0.00 175.52 176.12 3dxj n THR 1000N -5.46 -0.38 0.00 3.16 -1.04 0.65 -0.88 114.28 110.33 3dxj n THR 1000Ca -0.07 1.99 0.00 0.00 -2.04 0.00 0.00 64.05 63.93 3dxj n THR 1000Cb 0.38 -2.89 0.00 0.00 -1.82 0.00 0.00 70.33 66.00 3dxj n THR 1000CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 3dxj n GLU 1001N -5.34 0.00 -0.22 -2.82 4.07 0.12 -2.54 120.64 113.91 3dxj n GLU 1001Ca 0.20 0.30 0.13 0.00 -0.06 0.00 0.00 57.16 57.73 3dxj n GLU 1001Cb 0.66 -1.29 0.24 0.00 -0.06 0.00 0.00 31.44 30.99 3dxj n GLU 1001CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 3dxj n LYS 1002N -1.40 -0.05 0.00 5.31 5.02 -0.18 0.39 118.16 127.26 3dxj n LYS 1002Ca 0.00 0.94 0.00 0.00 -2.02 0.00 0.00 58.31 57.23 3dxj n LYS 1002Cb 0.00 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 33.47 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 -4.73 0.00 -0.19 -0.18 0.31 -0.06 -2.15 118.33 111.33 3dxj n VAL 1003Ca 0.18 1.33 0.03 0.00 -0.01 0.00 0.00 64.34 65.87 3dxj n VAL 1003Cb 0.59 -2.14 0.07 0.00 -0.91 0.00 0.00 33.84 31.46 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 -1.83 -0.22 -0.00 2.52 -1.04 0.16 -0.18 114.28 113.69 3dxj n THR 1004Ca 0.00 1.21 -0.02 0.00 -2.04 0.00 0.00 64.05 63.20 3dxj n THR 1004Cb 0.00 -1.67 -0.01 0.00 -1.82 0.00 0.00 70.33 66.82 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 -0.07 -0.27 -2.82 5.75 -0.89 -2.95 115.11 113.85 3dxj h GLN 1005Ca 0.25 0.01 0.02 0.00 -0.15 0.00 0.00 58.65 58.78 3dxj h GLN 1005Cb 0.38 0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.92 3dxj h GLN 1005CO -0.54 -0.05 -0.16 0.00 -2.65 0.00 0.00 178.83 175.43 3dxj n ALA 1006N -2.63 -0.17 -0.40 3.38 0.00 0.74 -1.46 120.51 119.98 3dxj n ALA 1006Ca -0.01 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.66 3dxj n ALA 1006Cb 0.05 0.18 0.00 0.00 0.00 0.00 0.00 19.45 19.68 3dxj n ALA 1006CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3dxj n VAL 1007N -3.54 0.00 -0.26 0.00 0.31 -1.12 0.20 118.33 113.93 3dxj n VAL 1007Ca 0.01 0.44 0.06 0.00 -0.01 0.00 0.00 64.34 64.84 3dxj n VAL 1007Cb 0.07 -0.66 0.19 0.00 -0.91 0.00 0.00 33.84 32.53 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 0.22 0.32 3.52 -1.00 -1.35 0.37 116.94 119.03 3dxj h PHE 1008Ca 0.00 0.05 -0.00 0.00 2.81 0.00 0.00 57.97 60.83 3dxj h PHE 1008Cb 0.00 0.02 -0.02 0.00 3.61 0.00 0.00 35.95 39.56 3dxj h PHE 1008CO -0.03 -0.13 -0.33 -0.22 -1.61 0.00 0.00 178.31 176.00 3dxj h LYS 1009N 0.23 -0.66 -0.78 1.51 3.64 0.11 0.64 116.57 121.27 3dxj h LYS 1009Ca 0.43 0.04 0.18 0.00 -1.27 0.00 0.00 60.65 60.04 3dxj h LYS 1009Cb 0.76 0.15 -0.13 0.00 -0.41 0.00 0.00 32.23 32.60 3dxj h LYS 1009CO -0.56 -0.44 0.10 -0.97 -2.27 0.00 0.00 179.45 175.32 3dxj h ASN 1010N -0.68 -0.17 0.47 4.20 -1.24 0.52 0.47 115.58 119.16 3dxj h ASN 1010Ca -0.02 0.18 -0.02 0.00 0.71 0.00 0.00 56.30 57.15 3dxj h ASN 1010Cb 0.62 0.29 0.00 0.00 0.73 0.00 0.00 38.32 39.96 3dxj h ASN 1010CO -0.07 -0.13 -0.23 -0.26 -1.29 0.00 0.00 177.43 175.45 3dxj h PHE 1011N 0.17 -0.59 -0.03 0.67 0.04 0.51 0.15 116.94 117.86 3dxj h PHE 1011Ca 0.44 -0.01 0.01 0.00 2.80 0.00 0.00 57.97 61.21 3dxj h PHE 1011Cb 0.81 0.19 -0.00 0.00 2.20 0.00 0.00 35.95 39.15 3dxj h PHE 1011CO -0.34 -0.35 0.13 1.49 -0.60 0.00 0.00 178.31 178.63 3dxj h GLU 1012N -0.66 0.00 0.00 1.51 4.57 0.22 0.22 114.58 120.44 3dxj h GLU 1012Ca -0.06 0.00 -0.36 0.00 -1.18 0.00 0.00 59.36 57.75 3dxj h GLU 1012Cb 0.50 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 29.02 3dxj h GLU 1012CO 0.11 0.00 -2.33 0.39 -1.18 0.00 0.00 179.01 175.99 3dxj n GLU 1013N -3.19 0.68 0.00 1.92 -0.58 0.14 -4.75 120.64 114.87 3dxj n GLU 1013Ca -0.02 0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3dxj n GLU 1013Cb 0.20 -1.54 0.00 0.00 -0.57 0.00 0.00 31.44 29.53 3dxj n GLU 1013CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3dxj n ASN 1014N -2.79 0.08 -2.87 1.62 3.02 0.45 -4.92 115.26 109.84 3dxj n ASN 1014Ca -0.32 -1.00 -0.12 0.00 -0.03 0.00 0.00 54.58 53.11 3dxj n ASN 1014Cb 1.15 0.00 0.05 0.00 -0.61 0.00 0.00 39.78 40.36 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 -0.00 -1.31 -0.06 3.10 4.01 0.74 -4.99 117.16 118.65 3dxj n TYR 1015Ca 0.00 -2.75 -0.09 0.00 -0.16 0.00 0.00 57.90 54.90 3dxj n TYR 1015Cb 0.23 0.70 -0.02 0.00 -0.31 0.00 0.00 39.34 39.94 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 2.86 0.25 -0.99 -0.72 0.11 -1.73 -2.36 132.00 129.43 3dxj h PRO 1016Ca -0.06 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.00 3dxj h PRO 1016Cb 1.09 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 3dxj h PRO 1016CO 0.27 0.17 0.05 1.19 -0.21 0.00 0.00 178.00 179.47 3dxj n PHE 1017N -4.98 0.30 -2.56 0.65 3.01 -1.26 -4.30 117.46 108.33 3dxj n PHE 1017Ca -0.02 -0.48 -0.42 0.00 1.01 0.00 0.00 57.45 57.54 3dxj n PHE 1017Cb 0.06 -0.27 -0.03 0.00 -0.01 0.00 0.00 39.48 39.22 3dxj n PHE 1017CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 3dxj s ASN 1018N 0.51 7.24 0.03 4.37 3.84 -0.89 -4.87 114.94 125.17 3dxj s ASN 1018Ca 0.06 1.90 -0.05 0.00 0.21 0.00 0.00 52.86 54.98 3dxj s ASN 1018Cb 0.05 -2.58 -0.01 0.00 -0.55 0.00 0.00 41.25 38.16 3dxj s ASN 1018CO 0.01 -0.32 0.89 -2.65 -2.79 0.00 0.00 177.10 172.25 3dxj n PRO 1019N 3.50 -0.07 0.13 0.43 -0.02 -1.26 0.66 135.00 138.36 3dxj n PRO 1019Ca 0.06 0.89 -0.16 0.00 -2.02 0.00 0.00 63.50 62.27 3dxj n PRO 1019Cb 0.48 -1.32 -0.09 0.00 -0.02 0.00 0.00 33.50 32.54 3dxj n PRO 1019CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3dxj h LEU 1020N 0.00 -1.50 -0.06 2.45 3.38 -1.89 0.24 115.31 117.93 3dxj h LEU 1020Ca 0.03 0.15 0.01 0.00 0.09 0.00 0.00 57.88 58.16 3dxj h LEU 1020Cb 0.07 0.55 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 3dxj h LEU 1020CO -0.15 -0.54 -0.05 0.22 0.09 0.00 0.00 178.44 178.00 3dxj h TYR 1021N -0.74 -0.16 -0.10 1.13 -0.00 -1.45 0.71 116.97 116.35 3dxj h TYR 1021Ca -0.01 0.01 0.01 0.00 -0.00 0.00 0.00 58.73 58.74 3dxj h TYR 1021Cb 0.74 0.08 -0.01 0.00 -0.00 0.00 0.00 36.73 37.53 3dxj h TYR 1021CO -0.43 -0.04 -0.06 0.28 -0.00 0.00 0.00 178.16 177.91 3dxj h VAL 1022N -0.02 0.00 -0.82 1.81 2.07 0.47 0.25 116.25 120.01 3dxj h VAL 1022Ca 0.01 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.68 3dxj h VAL 1022Cb 0.05 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 29.67 3dxj h VAL 1022CO -0.07 0.00 -0.25 0.23 0.02 0.00 0.00 177.57 177.50 3dxj n MET 1023N -3.22 -0.12 0.19 1.57 2.81 0.82 -0.03 117.12 119.13 3dxj n MET 1023Ca 0.00 1.27 -0.08 0.00 -1.81 0.00 0.00 57.70 57.08 3dxj n MET 1023Cb 0.03 -1.89 -0.04 0.00 -0.71 0.00 0.00 33.22 30.61 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 1.42 -0.82 -0.49 3.04 0.00 0.12 0.16 119.26 122.69 3dxj h ALA 1024Ca 0.35 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.21 3dxj h ALA 1024Cb 0.55 0.19 -0.09 0.00 0.00 0.00 0.00 17.79 18.44 3dxj h ALA 1024CO -0.83 -0.78 -0.50 1.96 0.00 0.00 0.00 179.25 179.10 3dxj h GLN 1025N -0.67 -0.31 0.00 0.00 1.08 0.62 0.79 115.11 116.61 3dxj h GLN 1025Ca -0.05 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 3dxj h GLN 1025Cb 0.39 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.89 3dxj h GLN 1025CO 0.08 -0.21 0.04 -1.13 -0.95 0.00 0.00 178.83 176.67 3dxj n SER 1026N -5.39 0.00 0.00 1.46 3.41 0.96 -4.68 113.62 109.39 3dxj n SER 1026Ca -0.01 0.15 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 3dxj n SER 1026Cb 0.34 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 3dxj n SER 1026CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dxj n GLY 1027N -1.08 1.59 0.44 5.00 0.00 0.27 -2.83 105.19 108.58 3dxj n GLY 1027Ca 0.00 0.00 0.29 0.00 0.00 0.00 0.00 46.02 46.31 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 2.50 0.00 4.61 0.00 -1.47 -3.44 119.26 121.46 3dxj h ALA 1028Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3dxj h ALA 1028Cb 0.00 0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3dxj h ALA 1028CO 0.00 -0.98 0.00 -2.13 0.00 0.00 0.00 179.25 176.14 3dxj n ARG 1029N -4.61 0.00 0.00 0.00 0.63 0.46 -4.64 116.66 108.50 3dxj n ARG 1029Ca 0.30 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.23 3dxj n ARG 1029Cb 1.11 0.00 0.00 0.00 0.45 0.00 0.00 32.46 34.02 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 -0.23 -1.70 3.38 5.14 0.00 -1.26 -2.03 105.19 108.48 3dxj n GLY 1030Ca 0.00 -1.46 -0.19 0.00 0.00 0.00 0.00 46.02 44.37 3dxj n GLY 1030CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dxj s ASN 1031N -2.77 1.74 0.00 1.61 2.20 -1.26 -4.59 114.94 111.87 3dxj s ASN 1031Ca 0.00 -1.41 0.00 0.00 -0.94 0.00 0.00 52.86 50.51 3dxj s ASN 1031Cb 0.00 0.12 0.00 0.00 -2.00 0.00 0.00 41.25 39.37 3dxj s ASN 1031CO 0.00 -0.71 0.64 -2.65 -2.94 0.00 0.00 177.10 171.44 3dxj n PRO 1032N -0.58 0.00 -0.16 3.55 -0.02 -1.26 -1.19 135.00 135.35 3dxj n PRO 1032Ca -0.01 0.41 -0.04 0.00 -2.02 0.00 0.00 63.50 61.84 3dxj n PRO 1032Cb 0.66 -1.14 -0.03 0.00 -0.02 0.00 0.00 33.50 32.97 3dxj n PRO 1032CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3dxj n GLN 1033N -1.26 -0.16 0.00 -0.52 3.00 -1.26 0.28 117.38 117.45 3dxj n GLN 1033Ca 0.00 0.57 0.00 0.00 -0.01 0.00 0.00 57.00 57.56 3dxj n GLN 1033Cb 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 30.24 29.41 3dxj n GLN 1033CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 3dxj n GLN 1034N -4.47 0.00 -0.02 -1.09 6.02 -1.00 -0.72 117.38 116.10 3dxj n GLN 1034Ca 0.01 0.92 -0.14 0.00 -0.01 0.00 0.00 57.00 57.78 3dxj n GLN 1034Cb 0.10 -1.49 -0.08 0.00 1.02 0.00 0.00 30.24 29.78 3dxj n GLN 1034CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 3dxj h ILE 1035N 0.00 0.05 -0.77 5.09 2.04 0.55 0.23 117.51 124.68 3dxj h ILE 1035Ca 0.00 0.00 0.29 0.00 1.00 0.00 0.00 64.86 66.15 3dxj h ILE 1035Cb 0.00 0.05 -0.14 0.00 -0.74 0.00 0.00 36.82 35.99 3dxj h ILE 1035CO 0.00 0.00 0.29 -1.14 0.00 0.00 0.00 178.15 177.30 3dxj n ARG 1036N -5.43 -0.05 -0.13 2.37 0.63 0.40 0.32 116.66 114.77 3dxj n ARG 1036Ca -0.05 1.10 -0.07 0.00 -0.92 0.00 0.00 57.85 57.91 3dxj n ARG 1036Cb 0.37 -1.90 0.09 0.00 0.45 0.00 0.00 32.46 31.47 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 0.87 0.08 -0.14 4.20 0.12 0.45 115.11 120.69 3dxj h GLN 1037Ca 0.60 -0.30 -0.00 0.00 0.06 0.00 0.00 58.65 59.00 3dxj h GLN 1037Cb 1.49 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 29.21 3dxj h GLN 1037CO -0.64 0.93 -0.04 -0.07 -0.67 0.00 0.00 178.83 178.35 3dxj h LEU 1038N 0.78 -0.09 -1.11 1.46 3.38 0.56 0.33 115.31 120.62 3dxj h LEU 1038Ca 0.13 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.65 3dxj h LEU 1038Cb 0.62 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.40 3dxj h LEU 1038CO 0.04 0.58 -0.05 0.00 0.09 0.00 0.00 178.44 179.10 3dxj n GLY 1040N 1.24 -0.47 2.91 0.00 0.00 -0.26 -4.17 105.19 104.45 3dxj n GLY 1040Ca 0.17 0.18 -0.15 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.30 1.82 0.34 0.99 2.96 0.14 -3.55 118.68 120.08 3dxj s LEU 1041Ca 0.00 -0.06 0.23 0.00 -0.22 0.00 0.00 54.13 54.07 3dxj s LEU 1041Cb 0.00 -0.21 0.20 0.00 0.50 0.00 0.00 46.19 46.67 3dxj s LEU 1041CO 0.00 0.01 1.37 -0.09 -1.32 0.00 0.00 176.35 176.33 3dxj h ARG 1042N 6.33 0.00 0.00 1.98 2.43 -1.40 -3.18 114.38 120.54 3dxj h ARG 1042Ca -0.30 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.87 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 0.50 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 179.37 3dxj n GLY 1043N 1.13 -0.04 3.69 2.80 0.00 -0.55 -4.81 105.19 107.41 3dxj n GLY 1043Ca 0.02 -0.99 -0.40 0.00 0.00 0.00 0.00 46.02 44.66 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 4.22 0.00 0.99 1.43 -1.26 0.29 118.68 124.35 3dxj s LEU 1044Ca 0.00 0.99 0.05 0.00 -1.03 0.00 0.00 54.13 54.14 3dxj s LEU 1044Cb 0.00 -2.97 0.07 0.00 0.03 0.00 0.00 46.19 43.32 3dxj s LEU 1044CO 0.00 -0.20 0.54 0.23 0.23 0.00 0.00 176.35 177.15 3dxj n MET 1045N 4.45 0.62 -3.92 1.70 2.81 -1.26 -4.97 117.12 116.55 3dxj n MET 1045Ca -0.01 -1.95 -0.10 0.00 -1.81 0.00 0.00 57.70 53.82 3dxj n MET 1045Cb 0.50 -0.21 -0.10 0.00 -0.71 0.00 0.00 33.22 32.70 3dxj n MET 1045CO 0.00 0.00 0.00 1.14 1.51 0.00 0.00 175.97 178.62 3dxj s GLN 1046N -3.78 0.47 0.79 0.03 -2.07 -1.26 -2.09 119.66 111.75 3dxj s GLN 1046Ca 0.40 -0.56 -0.12 0.00 -1.82 0.00 0.00 55.36 53.26 3dxj s GLN 1046Cb -0.03 0.19 0.07 0.00 -1.09 0.00 0.00 33.01 32.15 3dxj s GLN 1046CO 0.26 -0.11 1.14 0.15 -1.32 0.00 0.00 175.29 175.40 3dxj s LYS 1047N -1.77 1.95 0.20 9.60 1.02 0.60 -4.34 119.74 127.00 3dxj s LYS 1047Ca -0.12 1.44 -0.10 0.00 0.02 0.00 0.00 55.97 57.21 3dxj s LYS 1047Cb -0.06 -1.84 0.14 0.00 -0.52 0.00 0.00 37.83 35.54 3dxj s LYS 1047CO -0.01 -1.92 1.83 -1.35 -0.92 0.00 0.00 175.35 172.98 3dxj h PRO 1048N -0.99 1.00 -0.12 -1.68 0.11 -1.94 0.42 132.00 128.80 3dxj h PRO 1048Ca -0.45 -0.10 0.03 0.00 0.11 0.00 0.00 66.00 65.60 3dxj h PRO 1048Cb 1.26 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 3dxj h PRO 1048CO 0.48 0.72 0.31 0.66 -0.21 0.00 0.00 178.00 179.97 3dxj h SER 1049N 1.00 0.00 0.00 -2.05 4.64 -2.02 -3.45 113.55 111.67 3dxj h SER 1049Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 3dxj h SER 1049Cb -0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3dxj h SER 1049CO -0.05 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.52 3dxj n GLY 1050N -1.29 2.42 3.75 -0.77 0.00 0.15 -5.08 105.19 104.36 3dxj n GLY 1050Ca 0.01 -0.79 -0.41 0.00 0.00 0.00 0.00 46.02 44.82 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 4.15 0.76 1.61 -1.05 -1.25 -4.29 118.70 118.63 3dxj s GLU 1051Ca 0.00 2.53 -0.11 0.00 -0.15 0.00 0.00 54.97 57.23 3dxj s GLU 1051Cb 0.00 -3.04 0.05 0.00 -0.44 0.00 0.00 34.13 30.70 3dxj s GLU 1051CO 0.00 -0.60 1.09 0.95 0.95 0.00 0.00 175.26 177.65 3dxj s THR 1052N 0.09 3.32 0.45 1.83 -4.23 -1.26 0.22 115.64 116.07 3dxj s THR 1052Ca 0.63 0.43 -0.11 0.00 -1.18 0.00 0.00 61.69 61.46 3dxj s THR 1052Cb -0.47 -3.21 -0.06 0.00 1.34 0.00 0.00 72.50 70.10 3dxj s THR 1052CO 0.46 -0.56 0.84 -0.36 -0.54 0.00 0.00 174.62 174.46 3dxj s PHE 1053N -3.16 3.49 -0.03 3.99 0.40 -0.89 -4.62 117.98 117.16 3dxj s PHE 1053Ca 0.60 1.14 -0.25 0.00 -0.60 0.00 0.00 56.93 57.82 3dxj s PHE 1053Cb -0.14 -2.53 -0.18 0.00 0.51 0.00 0.00 43.02 40.68 3dxj s PHE 1053CO 0.54 -0.23 1.15 1.49 0.70 0.00 0.00 175.22 178.87 3dxj h GLU 1054N 0.96 -0.13 -6.71 0.44 4.81 -1.96 -3.44 114.58 108.54 3dxj h GLU 1054Ca -0.47 0.01 -0.50 0.00 -0.13 0.00 0.00 59.36 58.28 3dxj h GLU 1054Cb 1.19 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.57 3dxj h GLU 1054CO 0.63 0.32 0.21 0.14 -0.73 0.00 0.00 179.01 179.57 3dxj s VAL 1055N -4.07 4.43 0.31 0.32 -7.23 -1.26 -4.89 120.40 108.01 3dxj s VAL 1055Ca -0.15 1.49 0.07 0.00 -1.81 0.00 0.00 61.98 61.58 3dxj s VAL 1055Cb 0.01 -3.90 -0.03 0.00 0.56 0.00 0.00 36.38 33.03 3dxj s VAL 1055CO 0.60 0.15 0.30 -2.84 -0.31 0.00 0.00 175.10 173.00 3dxj s PRO 1056N -2.08 2.90 -0.93 4.82 0.02 -1.26 -4.71 135.00 133.75 3dxj s PRO 1056Ca 0.47 -1.14 -0.24 0.00 0.02 0.00 0.00 61.00 60.11 3dxj s PRO 1056Cb -0.17 -2.59 0.05 0.00 0.02 0.00 0.00 34.50 31.81 3dxj s PRO 1056CO 0.22 0.19 1.37 0.08 -0.33 0.00 0.00 177.00 178.53 3dxj s VAL 1057N -2.21 3.92 0.08 3.83 1.01 0.84 -4.88 120.40 122.97 3dxj s VAL 1057Ca 0.39 -0.47 -0.20 0.00 0.00 0.00 0.00 61.98 61.70 3dxj s VAL 1057Cb -0.07 -5.00 -0.10 0.00 0.00 0.00 0.00 36.38 31.21 3dxj s VAL 1057CO 0.27 -1.88 1.57 0.03 0.00 0.00 0.00 175.10 175.09 3dxj h ARG 1058N 9.81 0.30 -7.16 2.72 3.08 -1.96 -1.34 114.38 119.83 3dxj h ARG 1058Ca 0.05 -0.07 -0.53 0.00 0.07 0.00 0.00 59.98 59.50 3dxj h ARG 1058Cb 1.02 -0.04 0.14 0.00 0.08 0.00 0.00 29.97 31.18 3dxj h ARG 1058CO 1.37 0.44 0.41 -1.12 -1.07 0.00 0.00 179.97 179.99 3dxj s SER 1059N -5.70 4.48 0.73 7.04 0.01 -1.26 -4.41 113.70 114.60 3dxj s SER 1059Ca -0.14 2.33 -0.02 0.00 1.31 0.00 0.00 55.95 59.43 3dxj s SER 1059Cb 0.07 -2.59 0.13 0.00 0.21 0.00 0.00 66.02 63.84 3dxj s SER 1059CO 0.72 -2.07 1.01 -0.94 0.41 0.00 0.00 173.24 172.37 3dxj s SER 1060N -2.00 4.30 0.48 2.44 1.04 -1.23 -3.20 113.70 115.53 3dxj s SER 1060Ca 0.74 -0.27 0.27 0.00 0.48 0.00 0.00 55.95 57.18 3dxj s SER 1060Cb -0.29 -0.12 1.07 0.00 0.10 0.00 0.00 66.02 66.78 3dxj s SER 1060CO 0.43 -1.89 1.88 -0.26 0.98 0.00 0.00 173.24 174.37 3dxj h PHE 1061N -0.60 0.00 -0.13 5.02 0.04 -0.22 -2.07 116.94 118.98 3dxj h PHE 1061Ca -0.38 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.32 3dxj h PHE 1061Cb 1.27 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.42 3dxj h PHE 1061CO -0.23 0.15 -0.21 -0.09 -0.60 0.00 0.00 178.31 177.33 3dxj h ARG 1062N 0.00 0.37 0.00 1.51 2.43 -1.77 -2.62 114.38 114.30 3dxj h ARG 1062Ca -0.00 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 58.94 3dxj h ARG 1062Cb 0.66 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 3dxj h ARG 1062CO 0.02 0.81 0.00 0.39 -1.51 0.00 0.00 179.97 179.68 3dxj n GLU 1063N -4.50 0.13 -0.94 0.20 1.02 -0.94 -4.97 120.64 110.64 3dxj n GLU 1063Ca -0.07 0.20 0.12 0.00 -0.02 0.00 0.00 57.16 57.39 3dxj n GLU 1063Cb 0.41 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.28 3dxj n GLU 1063CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dxj n GLY 1064N -0.37 -2.81 3.78 0.62 0.00 -0.82 -4.81 105.19 100.77 3dxj n GLY 1064Ca 0.05 -1.21 -0.26 0.00 0.00 0.00 0.00 46.02 44.60 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 -6.28 2.92 -0.04 0.99 1.43 -1.26 -4.53 118.68 111.90 3dxj s LEU 1065Ca 0.00 -1.19 -0.14 0.00 -1.03 0.00 0.00 54.13 51.77 3dxj s LEU 1065Cb 0.00 -1.29 -0.05 0.00 0.03 0.00 0.00 46.19 44.88 3dxj s LEU 1065CO 0.00 -0.70 0.36 -0.89 0.23 0.00 0.00 176.35 175.35 3dxj s THR 1066N -2.67 5.14 0.18 5.49 2.01 -1.26 -4.91 115.64 119.62 3dxj s THR 1066Ca 0.35 0.73 -0.20 0.00 0.31 0.00 0.00 61.69 62.87 3dxj s THR 1066Cb 0.02 -3.67 0.11 0.00 0.01 0.00 0.00 72.50 68.98 3dxj s THR 1066CO 0.20 0.55 1.40 0.55 -0.69 0.00 0.00 174.62 176.62 3dxj n VAL 1067N 2.17 -0.53 0.05 3.82 3.14 -1.26 0.42 118.33 126.14 3dxj n VAL 1067Ca -0.14 2.14 -0.09 0.00 -2.96 0.00 0.00 64.34 63.29 3dxj n VAL 1067Cb 0.53 -2.75 -0.06 0.00 -1.06 0.00 0.00 33.84 30.50 3dxj n VAL 1067CO 0.00 0.00 0.00 0.25 -6.46 0.00 0.00 176.83 170.62 3dxj h LEU 1068N 0.00 -0.91 -0.93 6.55 5.85 -1.99 0.11 115.31 123.98 3dxj h LEU 1068Ca 0.25 0.10 0.17 0.00 0.84 0.00 0.00 57.88 59.23 3dxj h LEU 1068Cb 0.47 0.34 -0.17 0.00 0.37 0.00 0.00 40.66 41.68 3dxj h LEU 1068CO -0.88 -0.31 -0.29 -0.62 -0.34 0.00 0.00 178.44 176.01 3dxj n GLU 1069N -4.16 -0.14 0.18 1.25 1.02 0.13 0.18 120.64 119.11 3dxj n GLU 1069Ca -0.05 1.44 -0.15 0.00 -0.02 0.00 0.00 57.16 58.39 3dxj n GLU 1069Cb 0.23 -2.15 -0.07 0.00 -0.02 0.00 0.00 31.44 29.43 3dxj n GLU 1069CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 3dxj h TYR 1070N 0.00 -0.93 -0.59 -0.32 5.03 0.15 -1.98 116.97 118.33 3dxj h TYR 1070Ca 0.39 0.01 0.11 0.00 2.58 0.00 0.00 58.73 61.83 3dxj h TYR 1070Cb 0.63 0.38 -0.12 0.00 1.55 0.00 0.00 36.73 39.17 3dxj h TYR 1070CO -0.76 -0.47 -0.29 0.35 -1.32 0.00 0.00 178.16 175.67 3dxj h PHE 1071N -0.65 -0.76 0.00 -3.82 3.04 0.22 -2.07 116.94 112.89 3dxj h PHE 1071Ca -0.00 0.07 0.00 0.00 3.98 0.00 0.00 57.97 62.02 3dxj h PHE 1071Cb 0.63 0.42 0.00 0.00 2.56 0.00 0.00 35.95 39.56 3dxj h PHE 1071CO -0.24 -0.36 0.00 -0.89 -2.02 0.00 0.00 178.31 174.80 3dxj n ILE 1072N -5.44 0.00 -0.22 1.41 5.41 -0.18 -1.63 119.36 118.71 3dxj n ILE 1072Ca 0.05 1.10 0.00 0.00 1.00 0.00 0.00 62.75 64.90 3dxj n ILE 1072Cb 0.35 -1.61 0.04 0.00 -0.71 0.00 0.00 39.64 37.71 3dxj n ILE 1072CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 3dxj n SER 1073N -1.38 -0.35 -0.22 4.38 2.88 -0.84 -1.26 113.62 116.84 3dxj n SER 1073Ca 0.00 1.02 0.19 0.00 -1.33 0.00 0.00 58.87 58.75 3dxj n SER 1073Cb 0.00 -0.25 0.36 0.00 -0.75 0.00 0.00 64.21 63.57 3dxj n SER 1073CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3dxj n SER 1074N -4.88 0.16 0.08 -3.46 3.41 -0.65 -0.92 113.62 107.36 3dxj n SER 1074Ca 0.07 1.15 -0.14 0.00 -0.26 0.00 0.00 58.87 59.69 3dxj n SER 1074Cb 0.25 -0.53 -0.07 0.00 -0.26 0.00 0.00 64.21 63.60 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 -1.17 -0.17 7.33 3.86 -1.27 0.49 115.15 124.22 3dxj h HIS 1075Ca 0.54 0.04 -0.03 0.00 -1.16 0.00 0.00 60.37 59.76 3dxj h HIS 1075Cb 1.38 0.51 -0.01 0.00 1.06 0.00 0.00 27.41 30.35 3dxj h HIS 1075CO -0.09 -0.50 -0.02 0.78 0.86 0.00 0.00 177.93 178.96 3dxj h GLY 1076N -0.60 0.26 0.57 2.45 0.00 -1.23 -1.74 103.07 102.77 3dxj h GLY 1076Ca 0.04 -0.13 0.04 0.00 0.00 0.00 0.00 47.33 47.28 3dxj h GLY 1076CO -0.29 0.12 -0.07 0.00 0.00 0.00 0.00 176.54 176.30 3dxj h ALA 1077N 1.76 0.09 -1.12 3.60 0.00 -0.19 0.82 119.26 124.22 3dxj h ALA 1077Ca 0.06 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3dxj h ALA 1077Cb 0.19 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3dxj h ALA 1077CO 0.01 -0.50 0.00 0.54 0.00 0.00 0.00 179.25 179.29 3dxj n ARG 1078N -5.22 0.00 -0.50 0.00 5.12 0.14 -0.69 116.66 115.50 3dxj n ARG 1078Ca -0.02 0.42 0.40 0.00 -1.93 0.00 0.00 57.85 56.71 3dxj n ARG 1078Cb 0.15 -1.31 0.64 0.00 -1.16 0.00 0.00 32.46 30.78 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 -1.61 -0.02 0.00 5.56 5.02 -0.97 0.27 118.16 126.41 3dxj n LYS 1079Ca 0.00 1.02 0.00 0.00 -2.02 0.00 0.00 58.31 57.31 3dxj n LYS 1079Cb 0.00 -2.15 0.00 0.00 -0.02 0.00 0.00 35.03 32.86 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 -1.61 -2.28 0.40 0.72 0.00 0.29 -1.02 105.19 101.69 3dxj n GLY 1080Ca 0.37 0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.60 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 0.22 -2.92 103.07 100.35 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 -2.54 0.00 -0.11 3.60 0.00 0.75 -2.19 120.51 120.02 3dxj n ALA 1082Ca 0.10 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.57 3dxj n ALA 1082Cb 0.67 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.17 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 -0.13 -0.10 0.19 0.00 -0.08 -0.19 0.13 116.55 116.37 3dxj n ASP 1083Ca 0.00 0.52 -0.14 0.00 -1.51 0.00 0.00 54.79 53.66 3dxj n ASP 1083Cb 0.00 -0.16 -0.07 0.00 2.34 0.00 0.00 41.12 43.22 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 0.56 -1.10 5.18 1.03 -1.59 -1.65 112.91 115.34 3dxj h THR 1084Ca 0.15 0.00 0.41 0.00 -0.01 0.00 0.00 66.41 66.97 3dxj h THR 1084Cb 0.25 0.56 -0.15 0.00 -1.07 0.00 0.00 68.15 67.75 3dxj h THR 1084CO -0.31 0.00 0.66 0.00 -0.01 0.00 0.00 175.52 175.86 3dxj n ALA 1085N -2.42 1.11 -0.20 0.00 0.00 0.35 0.13 120.51 119.48 3dxj n ALA 1085Ca -0.09 0.87 -0.03 0.00 0.00 0.00 0.00 53.44 54.19 3dxj n ALA 1085Cb 0.24 -0.96 0.07 0.00 0.00 0.00 0.00 19.45 18.81 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 0.44 0.05 0.00 3.38 -1.22 0.43 115.31 118.39 3dxj h LEU 1086Ca 0.80 0.03 -0.36 0.00 0.09 0.00 0.00 57.88 58.44 3dxj h LEU 1086Cb 2.35 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 43.01 3dxj h LEU 1086CO -0.57 0.29 -2.10 0.54 0.09 0.00 0.00 178.44 176.69 3dxj n ARG 1087N -4.85 0.70 0.10 1.13 1.74 0.35 -3.49 116.66 112.34 3dxj n ARG 1087Ca 0.06 0.21 0.09 0.00 -0.77 0.00 0.00 57.85 57.45 3dxj n ARG 1087Cb 0.16 -1.66 0.43 0.00 -1.02 0.00 0.00 32.46 30.37 3dxj n ARG 1087CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 3dxj n THR 1088N -3.24 1.05 -0.08 0.55 5.66 0.26 -1.48 114.28 117.01 3dxj n THR 1088Ca -0.32 0.40 -0.13 0.00 -3.05 0.00 0.00 64.05 60.95 3dxj n THR 1088Cb 1.05 -1.33 -0.09 0.00 -1.55 0.00 0.00 70.33 68.41 3dxj n THR 1088CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3dxj h ALA 1089N 2.20 0.10 -1.46 1.79 0.00 -1.04 -3.49 119.26 117.36 3dxj h ALA 1089Ca 0.00 -0.71 0.11 0.00 0.00 0.00 0.00 54.91 54.31 3dxj h ALA 1089Cb 0.20 0.38 -0.24 0.00 0.00 0.00 0.00 17.79 18.13 3dxj h ALA 1089CO 0.00 0.36 0.62 0.34 0.00 0.00 0.00 179.25 180.58 3dxj s ASP 1090N -6.29 -0.31 0.00 0.00 -1.08 -0.55 -5.01 116.67 103.44 3dxj s ASP 1090Ca -0.19 0.38 0.00 0.00 -0.52 0.00 0.00 52.55 52.21 3dxj s ASP 1090Cb 0.02 0.31 0.00 0.00 -1.46 0.00 0.00 42.92 41.78 3dxj s ASP 1090CO 0.47 -0.26 0.00 -0.24 0.52 0.00 0.00 175.17 175.67 3dxj n SER 1091N 0.88 0.00 -0.29 -0.34 2.88 -1.25 -4.20 113.62 111.30 3dxj n SER 1091Ca -0.09 -0.98 0.34 0.00 -1.33 0.00 0.00 58.87 56.82 3dxj n SER 1091Cb 0.58 0.00 0.69 0.00 -0.75 0.00 0.00 64.21 64.73 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 0.00 -0.15 0.46 0.00 -1.95 0.69 103.07 102.11 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 0.00 -0.09 2.98 0.00 0.00 0.00 176.54 179.43 3dxj n TYR 1093N -3.81 -0.07 0.00 5.60 9.36 -1.26 0.34 117.16 127.32 3dxj n TYR 1093Ca 0.25 0.19 0.00 0.00 3.32 0.00 0.00 57.90 61.67 3dxj n TYR 1093Cb 1.35 -0.35 0.00 0.00 -0.63 0.00 0.00 39.34 39.71 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 -3.42 0.00 -0.17 2.98 7.94 0.24 -1.54 117.00 123.03 3dxj n LEU 1094Ca 0.00 0.23 -0.04 0.00 -1.11 0.00 0.00 56.01 55.09 3dxj n LEU 1094Cb 0.04 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 43.95 3dxj n LEU 1094CO -0.02 0.00 0.20 0.41 -1.11 0.00 0.00 177.39 176.86 3dxj n THR 1095N -0.32 -0.27 -0.18 1.96 -1.04 -0.05 0.20 114.28 114.58 3dxj n THR 1095Ca 0.00 0.98 -0.05 0.00 -2.04 0.00 0.00 64.05 62.94 3dxj n THR 1095Cb 0.00 -1.21 -0.04 0.00 -1.82 0.00 0.00 70.33 67.26 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 -4.47 -0.19 0.00 -2.82 0.63 1.03 -0.65 116.66 110.20 3dxj n ARG 1096Ca 0.01 0.94 0.00 0.00 -0.92 0.00 0.00 57.85 57.87 3dxj n ARG 1096Cb 0.10 -1.38 0.00 0.00 0.45 0.00 0.00 32.46 31.63 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 -4.03 0.00 -0.29 -0.14 4.76 0.54 -1.74 118.16 117.26 3dxj n LYS 1097Ca 0.01 0.77 0.14 0.00 -2.87 0.00 0.00 58.31 56.36 3dxj n LYS 1097Cb 0.11 -1.34 0.27 0.00 -1.84 0.00 0.00 35.03 32.23 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 -2.25 -0.06 -0.06 -0.35 4.32 -0.03 0.37 117.00 118.93 3dxj n LEU 1098Ca 0.00 1.44 -0.10 0.00 -0.02 0.00 0.00 56.01 57.32 3dxj n LEU 1098Cb 0.00 -0.54 -0.04 0.00 -1.62 0.00 0.00 43.42 41.22 3dxj n LEU 1098CO 0.00 -1.47 0.87 0.58 -1.22 0.00 0.00 177.39 176.15 3dxj h VAL 1099N 0.00 1.16 0.00 4.08 2.07 -0.09 0.75 116.25 124.22 3dxj h VAL 1099Ca 0.54 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.59 3dxj h VAL 1099Cb 1.15 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.98 3dxj h VAL 1099CO -0.78 0.15 0.00 0.47 0.02 0.00 0.00 177.57 177.43 3dxj n ASP 1100N -4.83 0.00 -0.06 0.57 8.00 0.16 -0.21 116.55 120.18 3dxj n ASP 1100Ca -0.03 0.25 -0.07 0.00 0.71 0.00 0.00 54.79 55.64 3dxj n ASP 1100Cb 0.12 -0.28 -0.06 0.00 -0.02 0.00 0.00 41.12 40.88 3dxj n ASP 1100CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3dxj n VAL 1101N -1.28 0.68 0.25 2.53 0.31 -0.43 -4.68 118.33 115.72 3dxj n VAL 1101Ca 0.01 -0.30 0.05 0.00 -0.01 0.00 0.00 64.34 64.08 3dxj n VAL 1101Cb 0.02 -0.88 0.06 0.00 -0.91 0.00 0.00 33.84 32.13 3dxj n VAL 1101CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3dxj n THR 1102N -2.71 0.26 -0.04 2.52 -2.24 0.13 -4.67 114.28 107.53 3dxj n THR 1102Ca -0.20 -0.63 -0.09 0.00 -2.27 0.00 0.00 64.05 60.87 3dxj n THR 1102Cb 0.75 1.02 -0.02 0.00 -2.10 0.00 0.00 70.33 69.97 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 1.80 -0.71 -1.34 4.78 -0.00 -0.79 0.17 115.15 119.05 3dxj h HIS 1103Ca 0.00 0.04 0.39 0.00 -0.00 0.00 0.00 60.37 60.80 3dxj h HIS 1103Cb 0.47 0.35 -0.06 0.00 -0.00 0.00 0.00 27.41 28.17 3dxj h HIS 1103CO 0.05 -0.34 0.96 1.05 -0.00 0.00 0.00 177.93 179.65 3dxj h GLU 1104N -0.29 0.01 -6.38 5.12 9.09 -1.83 -3.42 114.58 116.89 3dxj h GLU 1104Ca 0.13 -0.00 -0.54 0.00 0.05 0.00 0.00 59.36 58.99 3dxj h GLU 1104Cb 0.48 -0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.59 3dxj h GLU 1104CO -0.38 0.01 0.94 0.42 0.05 0.00 0.00 179.01 180.05 3dxj s ILE 1105N -4.95 3.44 0.13 -1.06 1.01 0.58 -4.76 121.20 115.60 3dxj s ILE 1105Ca -0.05 0.80 -0.11 0.00 0.00 0.00 0.00 60.65 61.29 3dxj s ILE 1105Cb 0.24 -3.52 0.01 0.00 0.01 0.00 0.00 42.46 39.20 3dxj s ILE 1105CO 0.82 -0.02 0.30 -0.69 0.00 0.00 0.00 174.94 175.36 3dxj s VAL 1106N 2.82 0.09 -0.45 2.92 1.01 -1.26 -1.38 120.40 124.16 3dxj s VAL 1106Ca 0.69 -1.04 -0.28 0.00 0.00 0.00 0.00 61.98 61.35 3dxj s VAL 1106Cb -0.35 -1.45 -0.00 0.00 0.00 0.00 0.00 36.38 34.58 3dxj s VAL 1106CO 0.29 -0.43 1.62 -0.69 0.00 0.00 0.00 175.10 175.90 3dxj s VAL 1107N -3.88 3.64 -0.10 2.92 1.01 -0.55 -1.98 120.40 121.46 3dxj s VAL 1107Ca 0.08 0.60 -0.10 0.00 0.00 0.00 0.00 61.98 62.55 3dxj s VAL 1107Cb 0.03 -4.01 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 3dxj s VAL 1107CO -0.08 -0.75 -0.20 0.54 0.00 0.00 0.00 175.10 174.61 3dxj n ARG 1108N 8.50 0.31 -0.77 2.72 1.74 -0.97 0.24 116.66 128.43 3dxj n ARG 1108Ca 0.19 0.12 -0.09 0.00 -0.77 0.00 0.00 57.85 57.30 3dxj n ARG 1108Cb 0.48 -1.03 0.06 0.00 -1.02 0.00 0.00 32.46 30.96 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 -3.65 -0.18 -0.09 5.56 1.02 -1.21 -4.74 120.64 117.34 3dxj n GLU 1109Ca -0.08 -0.70 -0.18 0.00 -0.02 0.00 0.00 57.16 56.18 3dxj n GLU 1109Cb 0.30 -0.37 -0.07 0.00 -0.02 0.00 0.00 31.44 31.28 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 -3.19 1.71 -3.45 0.62 0.00 -1.26 -2.78 120.51 112.15 3dxj n ALA 1110Ca -0.06 -0.77 -0.09 0.00 0.00 0.00 0.00 53.44 52.52 3dxj n ALA 1110Cb 0.18 0.19 -0.09 0.00 0.00 0.00 0.00 19.45 19.74 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 -6.40 0.08 0.28 0.00 -1.08 -1.26 -1.86 116.67 106.43 3dxj s ASP 1111Ca -0.26 0.48 0.25 0.00 -0.52 0.00 0.00 52.55 52.50 3dxj s ASP 1111Cb 0.09 1.18 0.93 0.00 -1.46 0.00 0.00 42.92 43.66 3dxj s ASP 1111CO 0.37 -0.28 1.75 0.00 0.52 0.00 0.00 175.17 177.53 3dxj n GLY 1113N 0.48 1.99 3.31 0.00 0.00 -1.26 -4.73 105.19 104.97 3dxj n GLY 1113Ca 0.03 0.00 -0.58 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.99 0.04 -0.07 2.61 5.66 -1.26 -4.82 114.28 114.44 3dxj n THR 1114Ca 0.00 -0.05 -0.13 0.00 -3.05 0.00 0.00 64.05 60.82 3dxj n THR 1114Cb 0.00 -0.73 -0.08 0.00 -1.55 0.00 0.00 70.33 67.97 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 6.94 0.05 -2.72 1.09 1.35 -1.93 -3.42 112.91 114.28 3dxj h THR 1115Ca -0.15 0.00 -0.42 0.00 -0.55 0.00 0.00 66.41 65.29 3dxj h THR 1115Cb 1.40 0.05 0.22 0.00 -1.73 0.00 0.00 68.15 68.09 3dxj h THR 1115CO 1.07 0.00 -0.45 -0.46 -0.25 0.00 0.00 175.52 175.44 3dxj n ASN 1116N -5.42 -2.41 0.00 5.36 6.94 -1.26 -5.03 115.26 113.44 3dxj n ASN 1116Ca -0.04 -0.27 0.00 0.00 -0.02 0.00 0.00 54.58 54.25 3dxj n ASN 1116Cb 0.36 -1.08 0.00 0.00 -2.36 0.00 0.00 39.78 36.70 3dxj n ASN 1116CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3dxj n TYR 1117N -4.90 0.00 -4.21 -2.53 0.18 -1.26 -4.93 117.16 99.50 3dxj n TYR 1117Ca 0.03 0.00 -0.16 0.00 1.88 0.00 0.00 57.90 59.65 3dxj n TYR 1117Cb 0.57 0.00 -0.11 0.00 -0.38 0.00 0.00 39.34 39.42 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 -1.43 1.13 -0.17 -3.48 -4.36 -0.98 -4.87 121.20 107.03 3dxj s ILE 1118Ca 0.00 -1.75 0.01 0.00 -0.26 0.00 0.00 60.65 58.64 3dxj s ILE 1118Cb 0.00 -1.52 0.02 0.00 1.25 0.00 0.00 42.46 42.21 3dxj s ILE 1118CO 0.00 -0.55 -0.18 -0.44 0.24 0.00 0.00 174.94 174.02 3dxj s SER 1119N -2.60 3.05 -0.15 4.36 0.01 -1.23 0.57 113.70 117.71 3dxj s SER 1119Ca 0.09 -0.63 -0.26 0.00 1.31 0.00 0.00 55.95 56.46 3dxj s SER 1119Cb -0.02 -1.39 -0.02 0.00 0.21 0.00 0.00 66.02 64.80 3dxj s SER 1119CO 0.01 -0.03 0.86 -0.69 0.41 0.00 0.00 173.24 173.80 3dxj s VAL 1120N 1.35 4.87 1.15 3.43 1.01 0.94 -4.47 120.40 128.68 3dxj s VAL 1120Ca 0.04 1.70 -0.19 0.00 0.00 0.00 0.00 61.98 63.53 3dxj s VAL 1120Cb -0.13 -4.17 0.28 0.00 0.00 0.00 0.00 36.38 32.36 3dxj s VAL 1120CO -0.12 0.03 1.14 -0.81 0.00 0.00 0.00 175.10 175.35 3dxj n PRO 1121N 5.11 -2.65 0.00 2.72 -0.04 -1.26 0.14 135.00 139.01 3dxj n PRO 1121Ca 0.05 -1.81 0.00 0.00 -0.04 0.00 0.00 63.50 61.70 3dxj n PRO 1121Cb 0.49 -1.55 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 3dxj n PRO 1121CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3dxj n LEU 1122N 0.00 0.00 -4.16 1.53 4.77 -0.57 -4.78 117.00 113.79 3dxj n LEU 1122Ca 0.15 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 56.01 3dxj n LEU 1122Cb 0.58 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.56 3dxj n LEU 1122CO 0.41 0.02 -0.40 -0.36 -1.33 0.00 0.00 177.39 175.73 3dxj s PHE 1123N 0.00 0.94 -0.02 -1.77 0.08 -1.25 -0.51 117.98 115.45 3dxj s PHE 1123Ca 0.00 -0.72 0.03 0.00 0.12 0.00 0.00 56.93 56.36 3dxj s PHE 1123Cb 0.00 -0.53 -0.03 0.00 -0.57 0.00 0.00 43.02 41.89 3dxj s PHE 1123CO 0.00 -0.06 -0.11 1.14 -0.10 0.00 0.00 175.22 176.09 3dxj s GLN 1124N -2.99 2.51 0.00 0.44 -2.07 1.53 -4.78 119.66 114.30 3dxj s GLN 1124Ca 0.06 -0.71 0.00 0.00 -1.82 0.00 0.00 55.36 52.88 3dxj s GLN 1124Cb -0.01 -2.43 0.00 0.00 -1.09 0.00 0.00 33.01 29.48 3dxj s GLN 1124CO -0.02 0.61 0.00 -2.30 -1.32 0.00 0.00 175.29 172.27 3dxj n PRO 1125N 1.95 0.00 -0.70 9.60 -0.02 -1.25 0.21 135.00 144.78 3dxj n PRO 1125Ca -0.17 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.18 3dxj n PRO 1125Cb 0.52 -0.00 0.07 0.00 -0.02 0.00 0.00 33.50 34.07 3dxj n PRO 1125CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3dxj n ASP 1126N 0.00 4.59 0.24 2.55 -0.08 -1.26 -2.26 116.55 120.34 3dxj n ASP 1126Ca 0.00 -2.88 -0.16 0.00 -1.51 0.00 0.00 54.79 50.24 3dxj n ASP 1126Cb 0.00 -0.82 -0.08 0.00 2.34 0.00 0.00 41.12 42.56 3dxj n ASP 1126CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 3dxj h GLU 1127N 0.87 -0.69 -5.14 -0.67 4.11 -1.91 -3.31 114.58 107.84 3dxj h GLU 1127Ca 0.30 0.05 -0.63 0.00 0.07 0.00 0.00 59.36 59.14 3dxj h GLU 1127Cb 1.50 0.16 -0.19 0.00 0.50 0.00 0.00 28.75 30.71 3dxj h GLU 1127CO 0.62 -0.46 -0.60 0.14 0.07 0.00 0.00 179.01 178.78 3dxj s VAL 1128N -6.03 4.49 0.36 -1.06 -7.23 -1.26 -5.04 120.40 104.63 3dxj s VAL 1128Ca -0.17 -0.13 -0.23 0.00 -1.81 0.00 0.00 61.98 59.65 3dxj s VAL 1128Cb 0.05 -3.05 -0.16 0.00 0.56 0.00 0.00 36.38 33.79 3dxj s VAL 1128CO 0.63 0.41 0.23 0.41 -0.31 0.00 0.00 175.10 176.47 3dxj n THR 1129N 4.13 1.05 -3.92 5.32 -1.04 -1.25 -3.00 114.28 115.56 3dxj n THR 1129Ca -0.16 -0.50 -0.32 0.00 -2.04 0.00 0.00 64.05 61.03 3dxj n THR 1129Cb 0.52 -0.07 -0.07 0.00 -1.82 0.00 0.00 70.33 68.89 3dxj n THR 1129CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 3dxj n ARG 1130N 1.18 -0.81 -3.08 -2.82 3.00 -1.26 -4.87 116.66 108.00 3dxj n ARG 1130Ca 0.13 0.10 -0.16 0.00 -0.00 0.00 0.00 57.85 57.91 3dxj n ARG 1130Cb 0.37 -3.53 -0.01 0.00 0.00 0.00 0.00 32.46 29.29 3dxj n ARG 1130CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 3dxj n SER 1131N -1.89 2.27 -3.87 6.15 2.88 -0.96 -4.97 113.62 113.23 3dxj n SER 1131Ca 0.01 -2.17 -0.12 0.00 -1.33 0.00 0.00 58.87 55.26 3dxj n SER 1131Cb 0.40 0.05 -0.14 0.00 -0.75 0.00 0.00 64.21 63.77 3dxj n SER 1131CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 3dxj s LEU 1132N 0.00 1.90 -0.19 2.46 2.96 -1.24 -3.94 118.68 120.63 3dxj s LEU 1132Ca 0.13 0.03 -0.19 0.00 -0.22 0.00 0.00 54.13 53.87 3dxj s LEU 1132Cb -0.01 0.11 0.05 0.00 0.50 0.00 0.00 46.19 46.84 3dxj s LEU 1132CO 0.08 -0.03 0.54 -0.60 -1.32 0.00 0.00 176.35 175.02 3dxj s ARG 1133N -0.08 0.66 0.78 1.98 3.52 0.56 -4.88 118.95 121.49 3dxj s ARG 1133Ca -0.01 0.68 -0.14 0.00 -0.13 0.00 0.00 55.73 56.13 3dxj s ARG 1133Cb -0.01 0.32 0.06 0.00 -1.56 0.00 0.00 34.95 33.76 3dxj s ARG 1133CO 0.00 -0.10 1.17 -0.11 -0.81 0.00 0.00 175.30 175.45 3dxj n LEU 1134N 2.60 4.42 -4.97 -0.88 7.94 -1.26 0.44 117.00 125.30 3dxj n LEU 1134Ca -0.14 0.62 -0.26 0.00 -1.11 0.00 0.00 56.01 55.12 3dxj n LEU 1134Cb 0.56 -1.50 0.13 0.00 0.53 0.00 0.00 43.42 43.15 3dxj n LEU 1134CO 0.10 -1.69 0.67 -0.13 -1.11 0.00 0.00 177.39 175.23 3dxj s ARG 1135N -3.92 1.35 -0.07 1.96 0.52 0.34 -4.51 118.95 114.62 3dxj s ARG 1135Ca 0.74 -0.83 -0.15 0.00 -0.52 0.00 0.00 55.73 54.98 3dxj s ARG 1135Cb -0.31 -2.16 -0.05 0.00 0.52 0.00 0.00 34.95 32.96 3dxj s ARG 1135CO 0.50 -1.77 0.38 0.15 0.02 0.00 0.00 175.30 174.58 3dxj s LYS 1136N -5.41 4.07 0.10 3.54 1.02 -1.26 -4.95 119.74 116.85 3dxj s LYS 1136Ca 0.69 0.32 -0.19 0.00 0.02 0.00 0.00 55.97 56.80 3dxj s LYS 1136Cb -0.05 -3.32 -0.04 0.00 -0.52 0.00 0.00 37.83 33.90 3dxj s LYS 1136CO 0.47 0.47 1.13 0.54 -0.92 0.00 0.00 175.35 177.04 3dxj n ARG 1137N 2.67 -0.27 0.00 1.68 1.74 -1.26 -0.87 116.66 120.35 3dxj n ARG 1137Ca -0.12 1.12 0.00 0.00 -0.77 0.00 0.00 57.85 58.07 3dxj n ARG 1137Cb 0.52 -1.64 0.00 0.00 -1.02 0.00 0.00 32.46 30.32 3dxj n ARG 1137CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3dxj n ALA 1138N -3.26 0.00 -0.34 7.54 0.00 -1.26 0.24 120.51 123.43 3dxj n ALA 1138Ca 0.01 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.64 3dxj n ALA 1138Cb 0.16 0.33 0.35 0.00 0.00 0.00 0.00 19.45 20.30 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 -0.33 0.35 0.00 5.19 -1.41 2.30 116.42 122.52 3dxj h ASP 1139Ca 0.00 0.28 -0.02 0.00 -0.62 0.00 0.00 57.03 56.67 3dxj h ASP 1139Cb 0.00 0.45 0.00 0.00 0.18 0.00 0.00 39.33 39.97 3dxj h ASP 1139CO 0.00 -0.38 -0.17 0.40 -3.12 0.00 0.00 179.24 175.97 3dxj h ILE 1140N 0.00 0.61 -0.58 0.35 2.04 0.26 -2.29 117.51 117.91 3dxj h ILE 1140Ca 0.66 -0.56 0.06 0.00 1.00 0.00 0.00 64.86 66.01 3dxj h ILE 1140Cb 1.45 0.88 -0.05 0.00 -0.74 0.00 0.00 36.82 38.36 3dxj h ILE 1140CO -0.90 0.10 0.29 -0.33 0.00 0.00 0.00 178.15 177.31 3dxj h GLU 1141N -0.81 0.53 -0.11 2.37 5.08 0.79 0.48 114.58 122.91 3dxj h GLU 1141Ca -0.05 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.31 3dxj h GLU 1141Cb 0.52 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 3dxj h GLU 1141CO 0.08 0.35 0.22 0.00 -1.00 0.00 0.00 179.01 178.66 3dxj h ALA 1142N 1.32 1.52 0.00 3.43 0.00 0.36 0.39 119.26 126.28 3dxj h ALA 1142Ca 0.26 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3dxj h ALA 1142Cb 0.19 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3dxj h ALA 1142CO -0.19 -0.28 -1.14 0.41 0.00 0.00 0.00 179.25 178.05 3dxj n GLY 1143N -1.29 -0.37 0.00 0.00 0.00 0.51 0.08 105.19 104.12 3dxj n GLY 1143Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.66 0.00 -4.77 0.99 4.77 0.14 -4.91 117.00 111.56 3dxj n LEU 1144Ca -0.00 -0.42 -0.41 0.00 -0.03 0.00 0.00 56.01 55.14 3dxj n LEU 1144Cb 0.26 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.34 3dxj n LEU 1144CO 0.25 0.00 1.02 -0.47 -1.33 0.00 0.00 177.39 176.86 3dxj s TYR 1145N -0.87 2.94 -1.70 -1.77 6.04 0.13 -3.08 117.35 119.04 3dxj s TYR 1145Ca 0.00 1.34 0.00 0.00 0.04 0.00 0.00 57.07 58.45 3dxj s TYR 1145Cb 0.00 -3.76 0.00 0.00 -1.04 0.00 0.00 41.96 37.16 3dxj s TYR 1145CO 0.00 -2.15 0.00 0.41 -1.54 0.00 0.00 175.55 172.27 3dxj n GLY 1146N 0.77 0.68 3.95 8.97 0.00 -0.98 -4.90 105.19 113.68 3dxj n GLY 1146Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 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 -4.20 2.14 -0.15 1.61 1.81 -1.18 -0.95 118.95 118.04 3dxj s ARG 1147Ca 0.00 -0.47 -0.02 0.00 -1.72 0.00 0.00 55.73 53.52 3dxj s ARG 1147Cb 0.00 -2.24 -0.02 0.00 -0.45 0.00 0.00 34.95 32.24 3dxj s ARG 1147CO 0.00 -1.20 -0.07 0.08 -0.68 0.00 0.00 175.30 173.43 3dxj s VAL 1148N -3.16 3.60 0.14 3.52 1.01 -1.26 0.23 120.40 124.49 3dxj s VAL 1148Ca 0.61 -0.46 -0.31 0.00 0.00 0.00 0.00 61.98 61.81 3dxj s VAL 1148Cb -0.10 -2.56 -0.10 0.00 0.00 0.00 0.00 36.38 33.62 3dxj s VAL 1148CO 0.44 0.50 1.68 -0.22 0.00 0.00 0.00 175.10 177.50 3dxj s LEU 1149N 0.36 4.38 -0.04 3.92 2.96 0.17 -0.81 118.68 129.62 3dxj s LEU 1149Ca -0.06 2.68 -0.02 0.00 -0.22 0.00 0.00 54.13 56.51 3dxj s LEU 1149Cb -0.15 -3.58 -0.27 0.00 0.50 0.00 0.00 46.19 42.69 3dxj s LEU 1149CO 0.04 -0.92 0.68 0.00 -1.32 0.00 0.00 176.35 174.84 3dxj h ALA 1150N 7.55 0.40 -2.85 5.97 0.00 -1.73 -0.30 119.26 128.31 3dxj h ALA 1150Ca -0.43 -1.25 -0.18 0.00 0.00 0.00 0.00 54.91 53.04 3dxj h ALA 1150Cb 1.21 0.44 -0.20 0.00 0.00 0.00 0.00 17.79 19.24 3dxj h ALA 1150CO 0.94 1.26 -0.70 1.03 0.00 0.00 0.00 179.25 181.78 3dxj s ARG 1151N -2.60 0.43 0.97 0.00 1.81 -1.26 -4.78 118.95 113.53 3dxj s ARG 1151Ca -0.12 -0.78 -0.14 0.00 -1.72 0.00 0.00 55.73 52.97 3dxj s ARG 1151Cb 0.07 0.04 0.01 0.00 -0.45 0.00 0.00 34.95 34.62 3dxj s ARG 1151CO 0.83 -0.04 0.18 -1.91 -0.68 0.00 0.00 175.30 173.68 3dxj n GLU 1152N 1.23 -0.36 -3.44 3.54 2.13 -1.26 -4.42 120.64 118.06 3dxj n GLU 1152Ca -0.21 -0.07 -0.22 0.00 0.66 0.00 0.00 57.16 57.32 3dxj n GLU 1152Cb 0.56 -1.72 -0.11 0.00 0.27 0.00 0.00 31.44 30.45 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 -2.32 -0.23 -0.42 6.31 1.01 -0.64 -4.90 120.40 119.20 3dxj s VAL 1153Ca 0.54 -0.83 -0.29 0.00 0.00 0.00 0.00 61.98 61.41 3dxj s VAL 1153Cb -0.19 -0.94 0.01 0.00 0.00 0.00 0.00 36.38 35.25 3dxj s VAL 1153CO 0.69 -0.63 1.38 -0.70 0.00 0.00 0.00 175.10 175.84 3dxj s GLU 1154N 1.93 3.59 -0.10 2.72 2.56 -1.26 -2.13 118.70 126.00 3dxj s GLU 1154Ca 0.12 0.88 -0.17 0.00 0.00 0.00 0.00 54.97 55.80 3dxj s GLU 1154Cb -0.16 -4.01 0.04 0.00 2.00 0.00 0.00 34.13 32.00 3dxj s GLU 1154CO -0.24 -1.55 0.42 0.08 -0.56 0.00 0.00 175.26 173.42 3dxj s VAL 1155N 5.33 0.02 -1.69 3.70 1.01 0.58 -4.95 120.40 124.39 3dxj s VAL 1155Ca 0.59 -0.15 -0.11 0.00 0.00 0.00 0.00 61.98 62.31 3dxj s VAL 1155Cb -0.13 -0.66 0.11 0.00 0.00 0.00 0.00 36.38 35.70 3dxj s VAL 1155CO 0.33 -0.08 0.30 0.18 0.00 0.00 0.00 175.10 175.82 3dxj n LEU 1156N 2.12 -0.99 -0.64 3.92 4.77 -1.26 0.19 117.00 125.11 3dxj n LEU 1156Ca -0.17 -1.24 -0.08 0.00 -0.03 0.00 0.00 56.01 54.49 3dxj n LEU 1156Cb 0.57 -1.64 -0.04 0.00 -2.33 0.00 0.00 43.42 39.98 3dxj n LEU 1156CO 0.16 0.31 -0.08 0.61 -1.33 0.00 0.00 177.39 177.06 3dxj n GLY 1157N -1.88 0.96 2.80 -0.72 0.00 -1.26 -4.98 105.19 100.12 3dxj n GLY 1157Ca -0.13 -0.29 -0.17 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.10 0.11 0.07 1.61 0.11 0.50 -5.15 120.40 115.55 3dxj s VAL 1158Ca 0.00 0.13 0.01 0.00 -2.93 0.00 0.00 61.98 59.19 3dxj s VAL 1158Cb 0.00 -0.23 -0.04 0.00 -1.53 0.00 0.00 36.38 34.58 3dxj s VAL 1158CO 0.00 0.13 0.15 0.00 -3.33 0.00 0.00 175.10 172.06 3dxj s ARG 1159N 1.09 3.20 -0.16 1.54 1.70 -1.26 -0.31 118.95 124.75 3dxj s ARG 1159Ca -0.09 -0.55 0.01 0.00 -0.47 0.00 0.00 55.73 54.63 3dxj s ARG 1159Cb -0.13 -2.90 0.02 0.00 -0.57 0.00 0.00 34.95 31.36 3dxj s ARG 1159CO -0.02 0.59 -0.18 -0.51 -1.08 0.00 0.00 175.30 174.10 3dxj s LEU 1160N -2.45 1.93 -0.05 -1.89 1.43 -0.91 -4.90 118.68 111.84 3dxj s LEU 1160Ca 0.32 -0.56 -0.37 0.00 -1.03 0.00 0.00 54.13 52.49 3dxj s LEU 1160Cb -0.13 -1.33 -0.15 0.00 0.03 0.00 0.00 46.19 44.62 3dxj s LEU 1160CO 0.25 -0.01 1.65 -1.84 0.23 0.00 0.00 176.35 176.63 3dxj n GLU 1161N 4.57 1.61 -2.49 1.70 0.28 -1.26 -1.62 120.64 123.43 3dxj n GLU 1161Ca -0.19 0.58 -0.39 0.00 -0.16 0.00 0.00 57.16 57.00 3dxj n GLU 1161Cb 0.50 -2.32 -0.02 0.00 1.43 0.00 0.00 31.44 31.03 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 2.41 3.56 0.00 3.44 -1.05 -1.26 -1.61 118.70 124.19 3dxj s GLU 1162Ca 0.90 -1.36 0.00 0.00 -0.15 0.00 0.00 54.97 54.35 3dxj s GLU 1162Cb -0.87 -5.39 0.00 0.00 -0.44 0.00 0.00 34.13 27.43 3dxj s GLU 1162CO 0.52 -2.46 0.00 0.41 0.95 0.00 0.00 175.26 174.68 3dxj n GLY 1163N 6.28 0.04 3.76 -3.83 0.00 -0.12 -4.74 105.19 106.58 3dxj n GLY 1163Ca 0.40 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.05 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 3.57 0.45 1.61 3.52 -0.63 -4.45 118.95 123.02 3dxj s ARG 1164Ca 0.00 1.90 -0.08 0.00 -0.13 0.00 0.00 55.73 57.41 3dxj s ARG 1164Cb 0.00 -2.35 -0.05 0.00 -1.56 0.00 0.00 34.95 30.99 3dxj s ARG 1164CO 0.00 -0.74 0.79 0.71 -0.81 0.00 0.00 175.30 175.25 3dxj s TYR 1165N -1.48 3.52 -1.12 5.12 1.51 -1.26 0.45 117.35 124.08 3dxj s TYR 1165Ca 0.66 0.96 -0.13 0.00 -1.01 0.00 0.00 57.07 57.55 3dxj s TYR 1165Cb -0.32 -2.40 0.20 0.00 -0.11 0.00 0.00 41.96 39.34 3dxj s TYR 1165CO 0.38 -0.21 1.26 -0.51 -1.11 0.00 0.00 175.55 175.36 3dxj s LEU 1166N -4.28 5.55 0.81 -1.29 1.43 0.14 -4.89 118.68 116.14 3dxj s LEU 1166Ca 0.50 -3.04 -0.16 0.00 -1.03 0.00 0.00 54.13 50.39 3dxj s LEU 1166Cb -0.10 -2.33 -0.07 0.00 0.03 0.00 0.00 46.19 43.72 3dxj s LEU 1166CO 0.38 -0.64 0.06 -0.24 0.23 0.00 0.00 176.35 176.14 3dxj n SER 1167N 4.77 -3.02 -0.26 2.29 2.88 -1.26 -2.32 113.62 116.70 3dxj n SER 1167Ca 0.30 0.44 0.03 0.00 -1.33 0.00 0.00 58.87 58.30 3dxj n SER 1167Cb 0.43 -1.04 0.25 0.00 -0.75 0.00 0.00 64.21 63.10 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 -0.73 0.98 0.27 -1.46 4.05 -1.97 -0.55 114.93 115.51 3dxj h MET 1168Ca -0.44 -0.06 -0.01 0.00 -0.28 0.00 0.00 59.70 58.92 3dxj h MET 1168Cb 1.34 -0.22 -0.01 0.00 -0.80 0.00 0.00 31.60 31.91 3dxj h MET 1168CO 0.36 0.65 -0.18 -0.44 0.23 0.00 0.00 176.91 177.52 3dxj h ASP 1169N 1.01 -0.45 -0.62 1.39 3.32 -2.01 -2.54 116.42 116.52 3dxj h ASP 1169Ca 0.33 0.03 0.06 0.00 0.02 0.00 0.00 57.03 57.47 3dxj h ASP 1169Cb 0.06 0.14 -0.07 0.00 0.22 0.00 0.00 39.33 39.68 3dxj h ASP 1169CO -0.10 -0.28 -0.36 0.47 -1.72 0.00 0.00 179.24 177.24 3dxj n ASP 1170N -5.30 -0.65 0.00 6.45 9.92 -0.25 -1.47 116.55 125.24 3dxj n ASP 1170Ca -0.09 1.12 0.00 0.00 -0.53 0.00 0.00 54.79 55.29 3dxj n ASP 1170Cb 0.22 -0.16 0.00 0.00 -0.64 0.00 0.00 41.12 40.54 3dxj n ASP 1170CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 3dxj n VAL 1171N -4.71 0.00 -0.28 2.53 0.31 -0.97 -1.71 118.33 113.51 3dxj n VAL 1171Ca 0.01 1.12 -0.03 0.00 -0.01 0.00 0.00 64.34 65.43 3dxj n VAL 1171Cb 0.16 -1.80 -0.01 0.00 -0.91 0.00 0.00 33.84 31.29 3dxj n VAL 1171CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 3dxj n HIS 1172N -1.28 -0.10 0.00 3.52 8.25 -0.84 0.69 115.22 125.46 3dxj n HIS 1172Ca 0.00 0.87 0.00 0.00 -0.26 0.00 0.00 57.72 58.33 3dxj n HIS 1172Cb 0.00 -0.69 0.00 0.00 1.12 0.00 0.00 29.99 30.42 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 -4.98 0.00 -0.28 2.41 7.94 -0.54 0.86 117.00 122.41 3dxj n LEU 1173Ca 0.05 0.84 -0.10 0.00 -1.11 0.00 0.00 56.01 55.69 3dxj n LEU 1173Cb 0.25 -0.41 -0.08 0.00 0.53 0.00 0.00 43.42 43.70 3dxj n LEU 1173CO -0.10 -0.41 0.49 -0.07 -1.11 0.00 0.00 177.39 176.18 3dxj h LEU 1174N 0.00 -1.76 -0.74 -1.96 3.38 0.12 1.00 115.31 115.35 3dxj h LEU 1174Ca 0.00 0.26 0.08 0.00 0.09 0.00 0.00 57.88 58.31 3dxj h LEU 1174Cb 0.00 0.76 -0.11 0.00 0.09 0.00 0.00 40.66 41.40 3dxj h LEU 1174CO 0.00 -0.24 -0.54 0.40 0.09 0.00 0.00 178.44 178.15 3dxj h ILE 1175N -0.11 0.01 -0.65 1.22 2.04 0.62 1.99 117.51 122.63 3dxj h ILE 1175Ca 0.11 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.10 3dxj h ILE 1175Cb 0.40 0.01 -0.12 0.00 -0.74 0.00 0.00 36.82 36.37 3dxj h ILE 1175CO -0.70 0.00 -0.21 0.50 0.00 0.00 0.00 178.15 177.74 3dxj h LYS 1176N -0.17 -0.04 -0.01 2.37 3.64 0.42 1.69 116.57 124.48 3dxj h LYS 1176Ca 0.15 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.56 3dxj h LYS 1176Cb 0.51 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.31 3dxj h LYS 1176CO -0.79 -0.03 -0.16 0.00 -2.27 0.00 0.00 179.45 176.20 3dxj h ALA 1177N 1.51 -0.18 0.00 5.00 0.00 0.86 0.30 119.26 126.75 3dxj h ALA 1177Ca 0.30 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 3dxj h ALA 1177Cb 0.51 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 3dxj h ALA 1177CO -0.69 -0.65 -0.03 0.00 0.00 0.00 0.00 179.25 177.89 3dxj h ALA 1178N 0.69 1.50 -0.23 0.00 0.00 0.58 0.55 119.26 122.35 3dxj h ALA 1178Ca 0.05 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 3dxj h ALA 1178Cb 0.32 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3dxj h ALA 1178CO -0.16 0.03 -0.25 0.93 0.00 0.00 0.00 179.25 179.81 3dxj h GLU 1179N 0.00 0.43 -0.86 0.00 5.08 0.59 0.20 114.58 120.03 3dxj h GLU 1179Ca -0.00 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 3dxj h GLU 1179Cb 0.07 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.29 3dxj h GLU 1179CO 0.00 0.65 0.00 0.00 -1.00 0.00 0.00 179.01 178.67 3dxj n ALA 1180N -2.48 2.81 -4.06 3.43 0.00 0.19 -4.88 120.51 115.52 3dxj n ALA 1180Ca -0.00 -0.45 -0.38 0.00 0.00 0.00 0.00 53.44 52.60 3dxj n ALA 1180Cb 0.39 -1.03 -0.01 0.00 0.00 0.00 0.00 19.45 18.81 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 0.19 -0.61 0.57 0.00 0.00 0.71 -4.86 105.19 101.18 3dxj n GLY 1181Ca 0.07 0.29 0.06 0.00 0.00 0.00 0.00 46.02 46.44 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 -4.74 1.02 0.00 1.61 2.13 -1.10 -5.01 120.64 114.55 3dxj n GLU 1182Ca -0.19 -2.56 0.00 0.00 0.66 0.00 0.00 57.16 55.08 3dxj n GLU 1182Cb 0.61 -1.17 0.00 0.00 0.27 0.00 0.00 31.44 31.16 3dxj n GLU 1182CO 0.00 0.00 0.00 1.51 -0.41 0.00 0.00 177.13 178.23 3dxj n ILE 1183N -0.80 0.00 0.00 6.31 0.13 -1.26 -4.87 119.36 118.86 3dxj n ILE 1183Ca 0.13 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.78 3dxj n ILE 1183Cb 0.75 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 39.55 3dxj n ILE 1183CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3dxj n GLN 1184N -0.17 0.00 -4.71 9.51 6.02 -1.26 -4.67 117.38 122.10 3dxj n GLN 1184Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.68 3dxj n GLN 1184Cb 0.00 -0.47 -0.09 0.00 1.02 0.00 0.00 30.24 30.70 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 -1.00 2.11 -0.19 -1.09 0.41 -1.26 -1.51 118.70 116.17 3dxj s GLU 1185Ca 0.00 -2.30 -0.05 0.00 -0.41 0.00 0.00 54.97 52.21 3dxj s GLU 1185Cb 0.00 -1.54 0.09 0.00 -1.78 0.00 0.00 34.13 30.90 3dxj s GLU 1185CO 0.00 -0.26 0.36 0.08 -0.49 0.00 0.00 175.26 174.95 3dxj s VAL 1186N -2.84 -0.56 -0.37 2.63 1.01 0.37 -4.81 120.40 115.84 3dxj s VAL 1186Ca 0.16 0.12 -0.29 0.00 0.00 0.00 0.00 61.98 61.97 3dxj s VAL 1186Cb 0.04 -0.65 0.01 0.00 0.00 0.00 0.00 36.38 35.79 3dxj s VAL 1186CO 0.08 0.02 1.33 -2.84 0.00 0.00 0.00 175.10 173.69 3dxj s PRO 1187N 2.53 3.75 -0.01 2.72 0.02 -1.26 0.32 135.00 143.08 3dxj s PRO 1187Ca 0.03 1.04 0.00 0.00 0.02 0.00 0.00 61.00 62.09 3dxj s PRO 1187Cb -0.13 -3.94 0.01 0.00 0.02 0.00 0.00 34.50 30.45 3dxj s PRO 1187CO -0.12 -1.33 -0.01 0.54 -0.33 0.00 0.00 177.00 175.74 3dxj s VAL 1188N 4.81 0.12 -0.19 3.83 0.11 0.19 -2.09 120.40 127.19 3dxj s VAL 1188Ca 0.57 -0.02 -0.29 0.00 -2.93 0.00 0.00 61.98 59.31 3dxj s VAL 1188Cb -0.14 -0.14 -0.04 0.00 -1.53 0.00 0.00 36.38 34.52 3dxj s VAL 1188CO 0.28 0.06 1.94 -0.13 -3.33 0.00 0.00 175.10 173.92 3dxj s ARG 1189N 0.22 3.51 0.36 1.54 0.52 0.01 -2.32 118.95 122.79 3dxj s ARG 1189Ca -0.02 1.93 0.08 0.00 -0.52 0.00 0.00 55.73 57.20 3dxj s ARG 1189Cb -0.04 -4.22 -0.04 0.00 0.52 0.00 0.00 34.95 31.18 3dxj s ARG 1189CO -0.01 -1.65 0.21 0.45 0.02 0.00 0.00 175.30 174.32 3dxj s SER 1190N 6.18 4.83 0.17 0.23 0.15 -1.25 -4.41 113.70 119.59 3dxj s SER 1190Ca 0.87 -0.75 -0.01 0.00 0.70 0.00 0.00 55.95 56.76 3dxj s SER 1190Cb -0.31 -0.73 0.02 0.00 -1.71 0.00 0.00 66.02 63.29 3dxj s SER 1190CO 0.35 -0.39 1.40 -0.65 1.20 0.00 0.00 173.24 175.15 3dxj h PRO 1191N 1.40 0.37 0.00 5.44 0.11 -1.89 -1.60 132.00 135.82 3dxj h PRO 1191Ca -0.43 -0.34 0.00 0.00 0.11 0.00 0.00 66.00 65.34 3dxj h PRO 1191Cb 1.25 0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.44 3dxj h PRO 1191CO 0.62 0.99 0.03 1.28 -0.21 0.00 0.00 178.00 180.71 3dxj n LEU 1192N -3.79 0.00 0.00 2.35 4.77 -1.26 -0.56 117.00 118.50 3dxj n LEU 1192Ca -0.05 0.38 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 3dxj n LEU 1192Cb 0.75 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 3dxj n LEU 1192CO 0.49 -0.38 -0.09 0.35 -1.33 0.00 0.00 177.39 176.43 3dxj n THR 1193N -1.37 0.00 -1.03 -5.08 -2.24 -0.86 -5.04 114.28 98.65 3dxj n THR 1193Ca 0.00 -0.35 -0.33 0.00 -2.27 0.00 0.00 64.05 61.10 3dxj n THR 1193Cb 0.03 0.89 0.14 0.00 -2.10 0.00 0.00 70.33 69.29 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 -3.48 1.72 -1.62 0.00 6.02 -1.26 -5.01 117.38 113.75 3dxj n GLN 1195Ca 0.13 -0.44 -0.45 0.00 -0.01 0.00 0.00 57.00 56.23 3dxj n GLN 1195Cb 0.51 -0.91 -0.02 0.00 1.02 0.00 0.00 30.24 30.84 3dxj n GLN 1195CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 3dxj n THR 1196N -0.26 1.43 -1.93 5.09 -1.04 -1.25 -4.82 114.28 111.49 3dxj n THR 1196Ca 0.01 -0.36 -0.43 0.00 -2.04 0.00 0.00 64.05 61.24 3dxj n THR 1196Cb 0.06 -1.17 -0.03 0.00 -1.82 0.00 0.00 70.33 67.37 3dxj n THR 1196CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 3dxj s ARG 1197N -0.99 3.35 -0.56 -2.82 3.52 -1.26 -2.91 118.95 117.28 3dxj s ARG 1197Ca 0.64 1.58 -0.04 0.00 -0.13 0.00 0.00 55.73 57.78 3dxj s ARG 1197Cb -0.71 -4.22 0.04 0.00 -1.56 0.00 0.00 34.95 28.51 3dxj s ARG 1197CO 0.55 -1.84 0.13 2.48 -0.81 0.00 0.00 175.30 175.81 3dxj n TYR 1198N 10.34 -1.77 -3.48 5.12 0.18 -1.26 -4.82 117.16 121.48 3dxj n TYR 1198Ca 0.24 0.14 -0.04 0.00 1.88 0.00 0.00 57.90 60.11 3dxj n TYR 1198Cb 0.46 -1.64 0.00 0.00 -0.38 0.00 0.00 39.34 37.78 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 -0.70 2.06 3.02 -7.48 0.00 -1.15 -4.14 105.19 96.80 3dxj n GLY 1199Ca -0.01 -1.25 -0.14 0.00 0.00 0.00 0.00 46.02 44.62 3dxj n GLY 1199CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3dxj s VAL 1200N -2.63 0.50 0.30 1.61 -7.23 -0.84 -3.95 120.40 108.16 3dxj s VAL 1200Ca 0.08 -0.69 -0.27 0.00 -1.81 0.00 0.00 61.98 59.29 3dxj s VAL 1200Cb -0.01 -0.50 -0.09 0.00 0.56 0.00 0.00 36.38 36.33 3dxj s VAL 1200CO 0.06 -0.15 0.96 0.00 -0.31 0.00 0.00 175.10 175.66 3dxj h GLN 1202N 3.50 0.33 -0.08 0.00 4.15 -1.19 -1.92 115.11 119.91 3dxj h GLN 1202Ca -0.46 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 58.93 3dxj h GLN 1202Cb 1.20 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.81 3dxj h GLN 1202CO 0.66 0.22 0.01 0.87 -1.93 0.00 0.00 178.83 178.66 3dxj h LYS 1203N 0.34 0.12 0.00 1.69 1.79 -1.83 -1.98 116.57 116.71 3dxj h LYS 1203Ca 0.64 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 59.08 3dxj h LYS 1203Cb 1.68 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 32.32 3dxj h LYS 1203CO -0.34 0.34 0.00 0.00 -1.08 0.00 0.00 179.45 178.38 3dxj n TYR 1205N -2.12 0.21 0.00 0.00 9.36 -1.15 -2.84 117.16 120.62 3dxj n TYR 1205Ca -0.00 0.08 0.00 0.00 3.32 0.00 0.00 57.90 61.30 3dxj n TYR 1205Cb 0.09 -1.02 0.00 0.00 -0.63 0.00 0.00 39.34 37.77 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 1.46 1.48 3.81 2.98 0.00 -0.76 -4.82 105.19 109.35 3dxj n GLY 1206Ca -0.49 -0.83 -0.29 0.00 0.00 0.00 0.00 46.02 44.40 3dxj n GLY 1206CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dxj s TYR 1207N 0.00 1.88 -0.19 1.61 1.51 -0.12 0.12 117.35 122.16 3dxj s TYR 1207Ca 0.00 0.60 -0.19 0.00 -1.01 0.00 0.00 57.07 56.46 3dxj s TYR 1207Cb 0.00 -3.66 -0.16 0.00 -0.11 0.00 0.00 41.96 38.03 3dxj s TYR 1207CO 0.00 -2.68 0.18 0.22 -1.11 0.00 0.00 175.55 172.16 3dxj h ASP 1208N -1.70 0.00 0.00 2.29 1.82 0.25 -3.31 116.42 115.77 3dxj h ASP 1208Ca -0.47 -0.44 0.00 0.00 -0.39 0.00 0.00 57.03 55.73 3dxj h ASP 1208Cb 1.29 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.30 3dxj h ASP 1208CO 0.49 1.30 0.00 0.18 -1.61 0.00 0.00 179.24 179.61 3dxj n LEU 1209N -4.49 0.00 -0.01 2.28 4.77 -1.26 -4.69 117.00 113.60 3dxj n LEU 1209Ca -0.25 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 55.83 3dxj n LEU 1209Cb 0.58 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.51 3dxj n LEU 1209CO 0.18 0.00 -0.66 -1.54 -1.33 0.00 0.00 177.39 174.04 3dxj n SER 1210N 0.00 0.40 -3.79 -1.43 3.41 -1.26 -3.22 113.62 107.73 3dxj n SER 1210Ca 0.00 -0.12 -0.13 0.00 -0.26 0.00 0.00 58.87 58.36 3dxj n SER 1210Cb 0.00 1.82 -0.12 0.00 -0.26 0.00 0.00 64.21 65.65 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 -3.35 0.28 -1.15 4.33 0.23 -1.26 -3.53 119.30 114.85 3dxj s MET 1211Ca -0.06 0.32 -0.21 0.00 -1.03 0.00 0.00 55.69 54.72 3dxj s MET 1211Cb 0.13 0.14 -0.05 0.00 -1.53 0.00 0.00 34.83 33.52 3dxj s MET 1211CO 0.85 -0.04 1.91 0.00 -2.03 0.00 0.00 175.02 175.71 3dxj n ALA 1212N 2.92 2.91 -3.62 3.16 0.00 -1.26 -3.81 120.51 120.81 3dxj n ALA 1212Ca -0.13 -3.36 -0.03 0.00 0.00 0.00 0.00 53.44 49.92 3dxj n ALA 1212Cb 0.58 -3.55 -0.01 0.00 0.00 0.00 0.00 19.45 16.47 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 5.30 0.58 0.35 0.00 1.70 -1.26 -5.01 118.95 120.60 3dxj s ARG 1213Ca 0.61 -0.28 -0.29 0.00 -0.47 0.00 0.00 55.73 55.30 3dxj s ARG 1213Cb 0.05 0.22 -0.11 0.00 -0.57 0.00 0.00 34.95 34.55 3dxj s ARG 1213CO 0.10 -0.26 1.43 -1.25 -1.08 0.00 0.00 175.30 174.24 3dxj s PRO 1214N -2.69 4.20 0.60 3.89 0.04 -1.26 0.77 135.00 140.55 3dxj s PRO 1214Ca 0.11 2.43 -0.18 0.00 0.04 0.00 0.00 61.00 63.40 3dxj s PRO 1214Cb 0.01 -3.02 -0.06 0.00 0.04 0.00 0.00 34.50 31.48 3dxj s PRO 1214CO -0.04 -0.41 0.87 1.55 0.04 0.00 0.00 177.00 179.01 3dxj n VAL 1215N 0.81 3.42 -3.71 -0.36 3.14 0.12 -4.60 118.33 117.15 3dxj n VAL 1215Ca 0.01 -0.50 -0.37 0.00 -2.96 0.00 0.00 64.34 60.53 3dxj n VAL 1215Cb 0.40 -1.05 -0.07 0.00 -1.06 0.00 0.00 33.84 32.07 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 -1.24 6.43 0.73 6.55 1.04 -1.26 -4.97 113.70 120.99 3dxj s SER 1216Ca 0.74 0.51 -0.17 0.00 0.48 0.00 0.00 55.95 57.52 3dxj s SER 1216Cb -0.42 -2.13 -0.09 0.00 0.10 0.00 0.00 66.02 63.48 3dxj s SER 1216CO 0.48 0.28 0.08 -0.38 0.98 0.00 0.00 173.24 174.68 3dxj n ILE 1217N 2.64 0.84 -0.96 -1.02 -0.00 -1.26 -2.92 119.36 116.68 3dxj n ILE 1217Ca -0.16 -0.43 0.00 0.00 -0.00 0.00 0.00 62.75 62.15 3dxj n ILE 1217Cb 0.53 -0.39 0.00 0.00 -0.00 0.00 0.00 39.64 39.79 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 2.25 0.87 3.76 7.39 0.00 0.14 -4.93 105.19 114.67 3dxj n GLY 1218Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.04 3.48 -0.04 1.61 2.56 -1.15 -1.93 118.70 123.21 3dxj s GLU 1219Ca 0.00 1.89 -0.00 0.00 0.00 0.00 0.00 54.97 56.86 3dxj s GLU 1219Cb 0.00 -2.29 0.03 0.00 2.00 0.00 0.00 34.13 33.87 3dxj s GLU 1219CO 0.00 -0.81 1.70 0.00 -0.56 0.00 0.00 175.26 175.59 3dxj n ALA 1220N -0.80 3.68 -0.28 6.30 0.00 -1.26 -1.49 120.51 126.66 3dxj n ALA 1220Ca 0.09 -0.21 0.04 0.00 0.00 0.00 0.00 53.44 53.36 3dxj n ALA 1220Cb 0.48 -1.04 0.10 0.00 0.00 0.00 0.00 19.45 18.99 3dxj n ALA 1220CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3dxj n VAL 1221N 1.04 -0.33 -0.14 0.00 0.31 -1.26 -0.37 118.33 117.58 3dxj n VAL 1221Ca 0.04 1.76 -0.11 0.00 -0.01 0.00 0.00 64.34 66.03 3dxj n VAL 1221Cb 0.53 -2.44 -0.08 0.00 -0.91 0.00 0.00 33.84 30.94 3dxj n VAL 1221CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3dxj h GLY 1222N 0.00 -1.21 0.00 2.92 0.00 -1.41 0.34 103.07 103.70 3dxj h GLY 1222Ca 0.37 0.77 0.00 0.00 0.00 0.00 0.00 47.33 48.46 3dxj h GLY 1222CO -0.79 -0.24 0.00 1.39 0.00 0.00 0.00 176.54 176.90 3dxj n ILE 1223N -4.81 0.00 -0.09 2.60 2.08 0.50 -2.47 119.36 117.17 3dxj n ILE 1223Ca -0.02 1.42 -0.02 0.00 0.56 0.00 0.00 62.75 64.68 3dxj n ILE 1223Cb 0.26 -2.24 -0.02 0.00 -0.75 0.00 0.00 39.64 36.89 3dxj n ILE 1223CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 3dxj n VAL 1224N -2.08 -0.15 -0.25 1.39 0.31 -0.74 0.21 118.33 117.02 3dxj n VAL 1224Ca 0.00 1.14 0.12 0.00 -0.01 0.00 0.00 64.34 65.60 3dxj n VAL 1224Cb 0.00 -1.47 0.24 0.00 -0.91 0.00 0.00 33.84 31.70 3dxj n VAL 1224CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3dxj n ALA 1225N -2.95 0.42 -0.60 3.52 0.00 0.12 0.39 120.51 121.41 3dxj n ALA 1225Ca 0.00 0.78 0.00 0.00 0.00 0.00 0.00 53.44 54.23 3dxj n ALA 1225Cb 0.06 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 18.91 3dxj n ALA 1225CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dxj n ALA 1226N -3.20 -0.19 -0.29 0.00 0.00 0.58 -1.46 120.51 115.94 3dxj n ALA 1226Ca 0.18 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.78 3dxj n ALA 1226Cb 0.61 0.00 0.31 0.00 0.00 0.00 0.00 19.45 20.36 3dxj n ALA 1226CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3dxj n GLN 1227N -1.10 -0.06 -0.07 0.00 6.02 0.27 0.15 117.38 122.59 3dxj n GLN 1227Ca 0.00 1.24 -0.07 0.00 -0.01 0.00 0.00 57.00 58.16 3dxj n GLN 1227Cb 0.00 -2.03 -0.01 0.00 1.02 0.00 0.00 30.24 29.22 3dxj n GLN 1227CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 3dxj h SER 1228N 0.00 -0.66 0.54 1.08 0.02 0.05 0.83 113.55 115.41 3dxj h SER 1228Ca 0.56 0.14 -0.25 0.00 -0.84 0.00 0.00 61.79 61.40 3dxj h SER 1228Cb 1.25 0.33 0.00 0.00 0.14 0.00 0.00 62.40 64.13 3dxj h SER 1228CO -0.76 -0.24 -1.10 0.40 -1.14 0.00 0.00 176.83 173.99 3dxj h ILE 1229N -0.18 1.47 0.43 3.27 2.04 0.26 -3.37 117.51 121.44 3dxj h ILE 1229Ca 0.16 -2.82 -0.02 0.00 1.00 0.00 0.00 64.86 63.18 3dxj h ILE 1229Cb 0.41 2.72 0.00 0.00 -0.74 0.00 0.00 36.82 39.22 3dxj h ILE 1229CO -0.40 0.83 -0.21 1.23 0.00 0.00 0.00 178.15 179.60 3dxj h GLY 1230N 1.52 -0.60 -0.69 5.37 0.00 0.70 -3.31 103.07 106.07 3dxj h GLY 1230Ca -0.10 0.22 0.24 0.00 0.00 0.00 0.00 47.33 47.68 3dxj h GLY 1230CO 0.18 -0.22 0.18 -2.21 0.00 0.00 0.00 176.54 174.48 3dxj n GLU 1231N -4.84 -0.05 -0.12 4.80 0.00 0.28 0.33 120.64 121.04 3dxj n GLU 1231Ca -0.07 0.99 -0.10 0.00 0.00 0.00 0.00 57.16 57.98 3dxj n GLU 1231Cb 0.23 -1.67 -0.02 0.00 0.00 0.00 0.00 31.44 29.98 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 0.59 -0.08 5.31 0.11 -1.72 -3.36 132.00 132.86 3dxj h PRO 1232Ca 0.50 -0.15 0.01 0.00 0.11 0.00 0.00 66.00 66.46 3dxj h PRO 1232Cb 1.18 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3dxj h PRO 1232CO -0.59 0.64 -0.05 0.41 -0.21 0.00 0.00 178.00 178.21 3dxj n GLY 1233N -0.54 -0.94 0.13 -0.55 0.00 0.15 -1.24 105.19 102.20 3dxj n GLY 1233Ca -0.01 0.23 0.11 0.00 0.00 0.00 0.00 46.02 46.35 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 -2.82 -0.08 -1.44 2.61 -2.24 -1.26 0.11 114.28 109.16 3dxj n THR 1234Ca 0.00 0.52 -0.27 0.00 -2.27 0.00 0.00 64.05 62.03 3dxj n THR 1234Cb 0.02 -0.85 0.11 0.00 -2.10 0.00 0.00 70.33 67.50 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 -3.26 2.65 -3.82 -0.78 10.64 -0.37 -4.83 117.38 117.60 3dxj n GLN 1235Ca 0.11 -3.37 -0.36 0.00 -1.83 0.00 0.00 57.00 51.55 3dxj n GLN 1235Cb 0.44 -2.21 -0.13 0.00 -0.86 0.00 0.00 30.24 27.48 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 -3.61 3.65 -0.32 2.61 1.43 0.29 -5.05 118.68 117.69 3dxj s LEU 1236Ca 0.59 -0.76 -0.44 0.00 -1.03 0.00 0.00 54.13 52.48 3dxj s LEU 1236Cb 0.47 -1.81 -0.20 0.00 0.03 0.00 0.00 46.19 44.68 3dxj s LEU 1236CO 0.02 -0.17 1.41 0.35 0.23 0.00 0.00 176.35 178.19 3dxj n THR 1237N 4.80 0.00 0.00 5.49 -2.24 -1.26 -4.20 114.28 116.87 3dxj n THR 1237Ca -0.15 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 3dxj n THR 1237Cb 0.48 -0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.37 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 3.12 0.00 -2.65 -0.78 1.56 -1.26 -2.79 117.12 114.31 3dxj n MET 1238Ca 0.27 0.18 -0.36 0.00 -0.27 0.00 0.00 57.70 57.51 3dxj n MET 1238Cb -0.01 -0.79 -0.05 0.00 2.15 0.00 0.00 33.22 34.52 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 -0.67 4.34 -0.31 2.12 3.03 -1.26 -4.32 118.95 121.88 3dxj s ARG 1239Ca 0.00 1.42 -0.30 0.00 2.03 0.00 0.00 55.73 58.88 3dxj s ARG 1239Cb 0.00 -2.63 -0.08 0.00 -1.03 0.00 0.00 34.95 31.22 3dxj s ARG 1239CO 0.00 0.04 2.26 2.41 -1.13 0.00 0.00 175.30 178.87 3dxj n THR 1240N 0.15 0.23 -4.17 4.99 -1.04 -1.26 -4.95 114.28 108.23 3dxj n THR 1240Ca 0.04 -0.44 -0.34 0.00 -2.04 0.00 0.00 64.05 61.27 3dxj n THR 1240Cb 0.50 -2.28 -0.11 0.00 -1.82 0.00 0.00 70.33 66.62 3dxj n THR 1240CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 3dxj s PHE 1241N 8.61 3.14 -0.28 -1.42 5.36 -1.26 -5.10 117.98 127.04 3dxj s PHE 1241Ca 1.04 -0.11 -0.20 0.00 -0.96 0.00 0.00 56.93 56.69 3dxj s PHE 1241Cb -0.49 -2.03 0.09 0.00 -0.34 0.00 0.00 43.02 40.25 3dxj s PHE 1241CO 0.38 0.05 0.80 -3.38 -1.46 0.00 0.00 175.22 171.61 3dxj s HIS 1242N 0.41 -0.81 0.41 10.12 -3.43 -1.26 -5.15 115.29 115.58 3dxj s HIS 1242Ca -0.00 1.77 -0.22 0.00 -0.80 0.00 0.00 55.06 55.80 3dxj s HIS 1242Cb -0.13 0.43 -0.10 0.00 -1.43 0.00 0.00 32.58 31.35 3dxj s HIS 1242CO 0.02 -0.40 0.98 0.99 -2.00 0.00 0.00 174.74 174.32 3dxj s THR 1243N 0.96 4.17 -0.02 -5.38 2.01 -1.26 -4.41 115.64 111.71 3dxj s THR 1243Ca -0.05 1.47 -0.00 0.00 0.31 0.00 0.00 61.69 63.43 3dxj s THR 1243Cb -0.05 -3.67 0.00 0.00 0.01 0.00 0.00 72.50 68.79 3dxj s THR 1243CO -0.10 -0.17 0.02 0.61 -0.69 0.00 0.00 174.62 174.29 3dxj n GLY 1244N -0.21 -0.48 3.16 4.40 0.00 -1.26 -5.01 105.19 105.78 3dxj n GLY 1244Ca 0.06 -0.13 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.82 -2.83 3.76 -0.02 0.00 -1.26 -4.95 105.19 99.06 3dxj n GLY 1245Ca 0.00 -0.52 -0.39 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.14 4.79 -0.73 1.61 1.01 -1.26 -4.97 120.40 118.72 3dxj s VAL 1246Ca 0.47 1.46 0.08 0.00 0.00 0.00 0.00 61.98 63.99 3dxj s VAL 1246Cb -0.04 -4.03 0.19 0.00 0.00 0.00 0.00 36.38 32.49 3dxj s VAL 1246CO 0.67 0.40 1.10 0.00 0.00 0.00 0.00 175.10 177.27 3dxj n ALA 1247N 2.70 2.20 0.00 5.51 0.00 -1.26 -4.87 120.51 124.78 3dxj n ALA 1247Ca -0.05 -1.00 0.00 0.00 0.00 0.00 0.00 53.44 52.40 3dxj n ALA 1247Cb 0.50 -0.30 0.00 0.00 0.00 0.00 0.00 19.45 19.65 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 0.27 0.00 2.68 0.00 0.00 -1.26 -5.14 105.19 101.74 3dxj n GLY 1248Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 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 0.07 0.08 4.61 0.00 -1.26 -5.14 121.76 120.12 3dxj s ALA 1249Ca 0.00 -0.12 0.08 0.00 0.00 0.00 0.00 51.96 51.92 3dxj s ALA 1249Cb 0.00 -1.25 -0.04 0.00 0.00 0.00 0.00 23.12 21.84 3dxj s ALA 1249CO 0.00 -1.27 -0.16 0.00 0.00 0.00 0.00 175.76 174.34 3dxj s ALA 1250N 2.24 2.73 0.00 0.00 0.00 -1.26 -4.92 121.76 120.55 3dxj s ALA 1250Ca 0.05 -1.25 0.00 0.00 0.00 0.00 0.00 51.96 50.76 3dxj s ALA 1250Cb -0.16 -0.76 0.00 0.00 0.00 0.00 0.00 23.12 22.20 3dxj s ALA 1250CO -0.14 0.60 0.00 -0.40 0.00 0.00 0.00 175.76 175.81 3dxj n ASP 1251N 1.09 0.00 -4.87 0.00 5.75 -1.26 -5.01 116.55 112.26 3dxj n ASP 1251Ca -0.15 0.00 -0.31 0.00 -0.01 0.00 0.00 54.79 54.32 3dxj n ASP 1251Cb 0.52 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.57 3dxj n ASP 1251CO 0.00 0.00 0.00 -0.51 -0.11 0.00 0.00 177.20 176.58 3dxj s ILE 1252N 0.00 4.77 0.61 2.12 2.07 -1.26 -4.27 121.20 125.24 3dxj s ILE 1252Ca 0.00 0.68 -0.10 0.00 -1.41 0.00 0.00 60.65 59.81 3dxj s ILE 1252Cb 0.00 -3.69 0.15 0.00 0.13 0.00 0.00 42.46 39.04 3dxj s ILE 1252CO 0.00 -0.39 0.71 0.41 -1.91 0.00 0.00 174.94 173.76 3dxj n THR 1253N -0.96 0.00 -3.77 4.00 -1.04 -1.26 -5.02 114.28 106.23 3dxj n THR 1253Ca 0.02 -0.46 -0.04 0.00 -2.04 0.00 0.00 64.05 61.54 3dxj n THR 1253Cb 0.54 -1.50 -0.01 0.00 -1.82 0.00 0.00 70.33 67.53 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 -4.57 1.27 2.70 -2.82 0.74 -1.26 -4.95 119.66 110.77 3dxj s GLN 1254Ca 0.42 -0.71 0.00 0.00 0.05 0.00 0.00 55.36 55.12 3dxj s GLN 1254Cb -0.02 0.43 0.00 0.00 1.10 0.00 0.00 33.01 34.52 3dxj s GLN 1254CO 0.31 -0.58 0.00 0.41 -0.55 0.00 0.00 175.29 174.87 3dxj n GLY 1255N -0.48 0.95 0.31 2.59 0.00 -1.24 -3.10 105.19 104.22 3dxj n GLY 1255Ca -0.06 -0.65 -0.11 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.87 -0.98 0.99 5.85 -1.69 -2.51 115.31 116.10 3dxj h LEU 1256Ca 0.00 0.12 0.31 0.00 0.84 0.00 0.00 57.88 59.15 3dxj h LEU 1256Cb 0.00 0.36 -0.18 0.00 0.37 0.00 0.00 40.66 41.21 3dxj h LEU 1256CO 0.00 -0.35 0.23 -0.65 -0.34 0.00 0.00 178.44 177.32 3dxj h PRO 1257N -0.43 0.04 0.24 5.25 0.11 -1.75 0.40 132.00 135.85 3dxj h PRO 1257Ca 0.07 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.16 3dxj h PRO 1257Cb 0.52 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.63 3dxj h PRO 1257CO -0.26 0.03 -0.11 -0.09 -0.21 0.00 0.00 178.00 177.35 3dxj h ARG 1258N 0.04 -0.31 -0.94 1.05 9.65 -1.39 -0.39 114.38 122.09 3dxj h ARG 1258Ca 0.68 0.02 0.25 0.00 -1.10 0.00 0.00 59.98 59.82 3dxj h ARG 1258Cb 1.55 0.07 -0.17 0.00 -1.39 0.00 0.00 29.97 30.02 3dxj h ARG 1258CO -0.83 -0.03 0.03 0.28 2.80 0.00 0.00 179.97 182.22 3dxj h VAL 1259N -0.58 0.10 0.70 0.20 2.07 0.06 0.29 116.25 119.08 3dxj h VAL 1259Ca -0.03 -0.01 -0.03 0.00 0.82 0.00 0.00 66.70 67.44 3dxj h VAL 1259Cb 0.43 0.05 0.01 0.00 -1.52 0.00 0.00 31.29 30.26 3dxj h VAL 1259CO 0.05 0.01 -0.34 0.40 0.02 0.00 0.00 177.57 177.72 3dxj h ILE 1260N 0.04 0.00 -0.54 4.57 2.04 -0.91 -1.26 117.51 121.45 3dxj h ILE 1260Ca 0.56 -0.04 0.13 0.00 1.00 0.00 0.00 64.86 66.50 3dxj h ILE 1260Cb 1.12 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 37.09 3dxj h ILE 1260CO -0.86 0.00 -0.07 1.21 0.00 0.00 0.00 178.15 178.42 3dxj n GLU 1261N -4.64 -0.05 0.13 2.37 2.13 0.91 0.50 120.64 121.99 3dxj n GLU 1261Ca -0.12 0.83 -0.06 0.00 0.66 0.00 0.00 57.16 58.48 3dxj n GLU 1261Cb 0.37 -1.27 -0.03 0.00 0.27 0.00 0.00 31.44 30.78 3dxj n GLU 1261CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 3dxj h LEU 1262N 0.00 -0.30 -0.83 4.31 4.07 -1.13 -0.78 115.31 120.64 3dxj h LEU 1262Ca 0.29 0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.26 3dxj h LEU 1262Cb 0.51 0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.33 3dxj h LEU 1262CO -0.54 -0.05 0.70 -0.26 -1.08 0.00 0.00 178.44 177.21 3dxj h PHE 1263N -0.69 0.00 -0.24 1.13 0.05 0.12 1.57 116.94 118.88 3dxj h PHE 1263Ca -0.04 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.75 3dxj h PHE 1263Cb 0.28 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.23 3dxj h PHE 1263CO 0.04 0.00 0.00 0.39 -0.18 0.00 0.00 178.31 178.56 3dxj n GLU 1264N -2.61 2.81 -2.22 1.51 -0.58 0.18 -2.93 120.64 116.81 3dxj n GLU 1264Ca -0.01 -2.80 -0.01 0.00 -0.42 0.00 0.00 57.16 53.93 3dxj n GLU 1264Cb 0.72 -1.80 -0.00 0.00 -0.57 0.00 0.00 31.44 29.78 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 -0.54 -0.80 -1.78 0.62 0.00 0.54 -4.54 120.51 114.01 3dxj n ALA 1265Ca 0.21 0.01 -0.37 0.00 0.00 0.00 0.00 53.44 53.28 3dxj n ALA 1265Cb 0.86 -0.51 -0.03 0.00 0.00 0.00 0.00 19.45 19.77 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 -4.45 4.06 0.11 0.00 0.52 -0.32 -4.73 118.95 114.14 3dxj s ARG 1266Ca 0.00 1.63 -0.31 0.00 -0.52 0.00 0.00 55.73 56.53 3dxj s ARG 1266Cb 0.00 -2.54 -0.08 0.00 0.52 0.00 0.00 34.95 32.85 3dxj s ARG 1266CO 0.00 -0.26 1.46 0.50 0.02 0.00 0.00 175.30 177.01 3dxj s ARG 1267N -2.49 4.28 0.79 3.54 3.52 -1.26 -4.68 118.95 122.65 3dxj s ARG 1267Ca 0.59 2.15 -0.11 0.00 -0.13 0.00 0.00 55.73 58.22 3dxj s ARG 1267Cb -0.25 -3.30 0.07 0.00 -1.56 0.00 0.00 34.95 29.90 3dxj s ARG 1267CO 0.31 -0.52 1.10 -2.14 -0.81 0.00 0.00 175.30 173.24 3dxj s PRO 1268N 1.42 2.14 -0.14 5.12 0.02 -1.26 -4.95 135.00 137.34 3dxj s PRO 1268Ca 0.67 0.62 -0.07 0.00 0.02 0.00 0.00 61.00 62.23 3dxj s PRO 1268Cb -0.38 -1.93 -0.24 0.00 0.02 0.00 0.00 34.50 31.97 3dxj s PRO 1268CO 0.30 -1.57 0.28 1.63 -0.33 0.00 0.00 177.00 177.31 3dxj n LYS 1269N -3.40 0.73 0.00 5.54 4.76 -1.26 -3.19 118.16 121.34 3dxj n LYS 1269Ca 0.07 0.27 0.00 0.00 -2.87 0.00 0.00 58.31 55.78 3dxj n LYS 1269Cb 0.56 -1.69 0.00 0.00 -1.84 0.00 0.00 35.03 32.07 3dxj n LYS 1269CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3dxj n ALA 1270N -3.08 2.02 -1.47 7.82 0.00 -1.26 -4.83 120.51 119.71 3dxj n ALA 1270Ca -0.34 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 52.66 3dxj n ALA 1270Cb 1.01 -1.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.36 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 0.26 0.48 -2.03 0.00 4.81 -1.19 -1.36 118.16 119.13 3dxj n LYS 1271Ca 0.00 0.06 -0.32 0.00 -0.87 0.00 0.00 58.31 57.18 3dxj n LYS 1271Cb 0.19 -2.18 0.00 0.00 0.02 0.00 0.00 35.03 33.07 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 9.11 2.95 0.18 3.14 0.00 0.18 -4.86 121.76 132.45 3dxj s ALA 1272Ca 1.19 0.13 -0.10 0.00 0.00 0.00 0.00 51.96 53.18 3dxj s ALA 1272Cb -0.94 -3.14 -0.07 0.00 0.00 0.00 0.00 23.12 18.98 3dxj s ALA 1272CO 0.45 -0.65 0.50 0.14 0.00 0.00 0.00 175.76 176.20 3dxj s VAL 1273N -2.83 4.98 0.08 0.00 -7.23 -1.26 -4.43 120.40 109.71 3dxj s VAL 1273Ca 0.59 0.46 0.03 0.00 -1.81 0.00 0.00 61.98 61.25 3dxj s VAL 1273Cb -0.12 -3.64 -0.03 0.00 0.56 0.00 0.00 36.38 33.14 3dxj s VAL 1273CO 0.43 0.06 -0.09 0.27 -0.31 0.00 0.00 175.10 175.45 3dxj s ILE 1274N -1.67 0.83 -0.05 -0.62 -4.36 -1.26 0.25 121.20 114.32 3dxj s ILE 1274Ca 0.43 -1.52 -0.30 0.00 -0.26 0.00 0.00 60.65 59.00 3dxj s ILE 1274Cb -0.12 -1.20 -0.03 0.00 1.25 0.00 0.00 42.46 42.35 3dxj s ILE 1274CO 0.21 -0.53 1.23 -0.55 0.24 0.00 0.00 174.94 175.54 3dxj s SER 1275N -2.26 7.02 0.35 4.36 0.15 -0.58 -4.86 113.70 117.89 3dxj s SER 1275Ca 0.02 1.85 0.19 0.00 0.70 0.00 0.00 55.95 58.71 3dxj s SER 1275Cb -0.04 -2.56 0.39 0.00 -1.71 0.00 0.00 66.02 62.10 3dxj s SER 1275CO -0.00 -0.60 1.59 -0.33 1.20 0.00 0.00 173.24 175.10 3dxj h GLU 1276N 7.52 0.00 0.00 5.44 5.08 -1.92 1.29 114.58 132.00 3dxj h GLU 1276Ca -0.34 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 3dxj h GLU 1276Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 3dxj h GLU 1276CO 0.89 0.34 0.00 -0.89 -1.00 0.00 0.00 179.01 178.35 3dxj n ILE 1277N -3.27 0.00 -4.22 3.13 2.08 -1.26 -4.65 119.36 111.17 3dxj n ILE 1277Ca 0.02 0.00 -0.11 0.00 0.56 0.00 0.00 62.75 63.22 3dxj n ILE 1277Cb 0.61 0.00 -0.03 0.00 -0.75 0.00 0.00 39.64 39.46 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 0.00 1.00 0.00 4.38 10.43 -1.26 0.85 116.55 131.95 3dxj n ASP 1278Ca 0.00 -1.96 0.00 0.00 2.57 0.00 0.00 54.79 55.40 3dxj n ASP 1278Cb 0.00 0.47 0.00 0.00 1.84 0.00 0.00 41.12 43.43 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 0.90 0.51 3.56 0.44 0.00 -1.18 -4.41 105.19 105.01 3dxj n GLY 1279Ca -0.02 -2.25 -0.27 0.00 0.00 0.00 0.00 46.02 43.48 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 -0.34 3.15 -0.03 1.61 1.01 0.97 -1.90 120.40 124.87 3dxj s VAL 1280Ca 0.00 -1.63 -0.30 0.00 0.00 0.00 0.00 61.98 60.05 3dxj s VAL 1280Cb 0.00 -2.55 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 3dxj s VAL 1280CO 0.00 -0.08 1.30 -0.69 0.00 0.00 0.00 175.10 175.63 3dxj s VAL 1281N -1.63 3.98 -0.23 2.92 1.01 -0.76 -1.33 120.40 124.36 3dxj s VAL 1281Ca 0.24 1.33 -0.00 0.00 0.00 0.00 0.00 61.98 63.55 3dxj s VAL 1281Cb -0.09 -3.86 0.06 0.00 0.00 0.00 0.00 36.38 32.50 3dxj s VAL 1281CO 0.15 -0.00 -0.03 -0.60 0.00 0.00 0.00 175.10 174.62 3dxj s ARG 1282N 2.32 1.37 -0.08 2.72 3.52 0.13 -2.72 118.95 126.21 3dxj s ARG 1282Ca 0.60 -0.88 -0.17 0.00 -0.13 0.00 0.00 55.73 55.14 3dxj s ARG 1282Cb -0.28 -2.47 -0.05 0.00 -1.56 0.00 0.00 34.95 30.59 3dxj s ARG 1282CO 0.24 -0.63 0.47 0.42 -0.81 0.00 0.00 175.30 174.99 3dxj s ILE 1283N 1.50 5.13 -0.13 4.11 1.01 -1.26 -0.12 121.20 131.45 3dxj s ILE 1283Ca -0.04 0.94 0.00 0.00 0.00 0.00 0.00 60.65 61.55 3dxj s ILE 1283Cb -0.18 -3.80 0.02 0.00 0.01 0.00 0.00 42.46 38.51 3dxj s ILE 1283CO -0.07 0.39 -0.12 -1.61 0.00 0.00 0.00 174.94 173.53 3dxj s GLU 1284N 0.19 2.00 0.13 2.79 0.41 -1.01 -5.00 118.70 118.21 3dxj s GLU 1284Ca 0.25 -0.45 0.02 0.00 -0.41 0.00 0.00 54.97 54.38 3dxj s GLU 1284Cb -0.16 -1.86 0.02 0.00 -1.78 0.00 0.00 34.13 30.35 3dxj s GLU 1284CO 0.11 -0.20 0.17 -0.85 -0.49 0.00 0.00 175.26 174.00 3dxj n GLU 1285N 4.68 0.93 0.00 1.61 -0.00 -1.26 -2.04 120.64 124.56 3dxj n GLU 1285Ca -0.16 -0.68 0.00 0.00 -0.00 0.00 0.00 57.16 56.32 3dxj n GLU 1285Cb 0.50 -0.05 0.00 0.00 -0.00 0.00 0.00 31.44 31.90 3dxj n GLU 1285CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 3dxj n THR 1286N -1.25 0.00 0.29 3.84 -1.04 -1.00 -4.80 114.28 110.32 3dxj n THR 1286Ca 0.03 0.00 0.08 0.00 -2.04 0.00 0.00 64.05 62.13 3dxj n THR 1286Cb 0.13 0.00 0.38 0.00 -1.82 0.00 0.00 70.33 69.02 3dxj n THR 1286CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 3dxj n GLU 1287N -0.33 0.10 0.06 -2.82 2.13 -1.26 -3.91 120.64 114.61 3dxj n GLU 1287Ca 0.00 0.45 0.00 0.00 0.66 0.00 0.00 57.16 58.27 3dxj n GLU 1287Cb 0.00 -1.73 0.00 0.00 0.27 0.00 0.00 31.44 29.98 3dxj n GLU 1287CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 3dxj n GLU 1288N -1.92 0.00 -2.47 5.31 4.71 -1.26 -5.10 120.64 119.91 3dxj n GLU 1288Ca 0.01 0.00 -0.25 0.00 -0.01 0.00 0.00 57.16 56.91 3dxj n GLU 1288Cb 0.12 -0.45 0.04 0.00 -1.01 0.00 0.00 31.44 30.14 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 -2.00 2.72 -0.18 3.49 -0.14 -1.25 -4.93 119.74 117.44 3dxj s LYS 1289Ca 0.00 -0.24 -0.08 0.00 -1.36 0.00 0.00 55.97 54.29 3dxj s LYS 1289Cb 0.00 -2.32 0.07 0.00 -1.68 0.00 0.00 37.83 33.90 3dxj s LYS 1289CO 0.00 -0.77 0.41 -1.17 -0.76 0.00 0.00 175.35 173.07 3dxj s LEU 1290N -4.96 -0.34 0.24 3.17 2.96 -1.26 -2.37 118.68 116.12 3dxj s LEU 1290Ca 0.55 0.93 -0.12 0.00 -0.22 0.00 0.00 54.13 55.27 3dxj s LEU 1290Cb -0.10 1.34 -0.01 0.00 0.50 0.00 0.00 46.19 47.92 3dxj s LEU 1290CO 0.43 -0.21 0.45 -0.94 -1.32 0.00 0.00 176.35 174.76 3dxj s SER 1291N 1.95 -0.07 0.11 3.68 1.04 -0.87 -2.82 113.70 116.71 3dxj s SER 1291Ca -0.06 -0.95 0.05 0.00 0.48 0.00 0.00 55.95 55.47 3dxj s SER 1291Cb -0.10 0.57 -0.04 0.00 0.10 0.00 0.00 66.02 66.55 3dxj s SER 1291CO -0.13 -1.11 -0.12 -0.69 0.98 0.00 0.00 173.24 172.17 3dxj s VAL 1292N -4.02 1.13 -0.07 5.02 1.01 -0.78 -2.39 120.40 120.29 3dxj s VAL 1292Ca 0.23 -1.69 -0.02 0.00 0.00 0.00 0.00 61.98 60.50 3dxj s VAL 1292Cb -0.00 -1.45 0.03 0.00 0.00 0.00 0.00 36.38 34.96 3dxj s VAL 1292CO 0.09 -0.50 0.02 0.12 0.00 0.00 0.00 175.10 174.83 3dxj s PHE 1293N -2.32 0.53 0.14 5.22 5.36 0.83 0.04 117.98 127.78 3dxj s PHE 1293Ca 0.07 -0.11 -0.11 0.00 -0.96 0.00 0.00 56.93 55.83 3dxj s PHE 1293Cb -0.04 -0.73 -0.06 0.00 -0.34 0.00 0.00 43.02 41.84 3dxj s PHE 1293CO 0.01 -0.32 0.48 0.08 -1.46 0.00 0.00 175.22 174.02 3dxj s VAL 1294N 2.02 4.99 -0.08 3.12 1.01 -0.18 0.22 120.40 131.50 3dxj s VAL 1294Ca 0.05 0.53 -0.05 0.00 0.00 0.00 0.00 61.98 62.50 3dxj s VAL 1294Cb -0.13 -3.66 0.03 0.00 0.00 0.00 0.00 36.38 32.62 3dxj s VAL 1294CO -0.05 0.16 0.20 -1.61 0.00 0.00 0.00 175.10 173.79 3dxj s GLU 1295N -2.23 0.18 -0.06 2.72 2.02 -0.44 -2.10 118.70 118.79 3dxj s GLU 1295Ca 0.39 0.37 0.02 0.00 0.02 0.00 0.00 54.97 55.77 3dxj s GLU 1295Cb -0.13 -0.03 0.02 0.00 0.10 0.00 0.00 34.13 34.08 3dxj s GLU 1295CO 0.20 -0.10 -0.10 0.45 0.02 0.00 0.00 175.26 175.73 3dxj s SER 1296N 0.72 1.54 0.66 -0.19 0.15 -0.57 -0.02 113.70 115.99 3dxj s SER 1296Ca -0.05 -0.25 0.07 0.00 0.70 0.00 0.00 55.95 56.42 3dxj s SER 1296Cb -0.07 -0.72 0.33 0.00 -1.71 0.00 0.00 66.02 63.86 3dxj s SER 1296CO -0.04 0.01 1.17 1.05 1.20 0.00 0.00 173.24 176.63 3dxj h GLU 1297N 7.03 0.00 0.05 5.44 -0.00 -1.99 0.96 114.58 126.06 3dxj h GLU 1297Ca -0.33 0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 59.03 3dxj h GLU 1297Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.93 3dxj h GLU 1297CO 0.47 0.00 -0.02 0.78 -0.00 0.00 0.00 179.01 180.24 3dxj h GLY 1298N 0.00 -0.07 -0.28 1.06 0.00 -2.01 -3.49 103.07 98.27 3dxj h GLY 1298Ca 0.04 0.03 -0.11 0.00 0.00 0.00 0.00 47.33 47.29 3dxj h GLY 1298CO -0.00 -0.03 -0.09 1.97 0.00 0.00 0.00 176.54 178.39 3dxj n PHE 1299N -4.67 -0.06 -3.74 5.60 1.16 0.33 -5.18 117.46 110.90 3dxj n PHE 1299Ca -0.01 -0.55 -0.13 0.00 -1.87 0.00 0.00 57.45 54.89 3dxj n PHE 1299Cb 0.03 0.03 -0.09 0.00 -1.61 0.00 0.00 39.48 37.83 3dxj n PHE 1299CO 0.00 0.00 0.00 -1.12 -1.87 0.00 0.00 176.76 173.77 3dxj s SER 1300N -1.49 -0.27 -0.08 5.98 0.01 -1.26 -1.51 113.70 115.07 3dxj s SER 1300Ca 0.06 0.31 -0.03 0.00 1.31 0.00 0.00 55.95 57.60 3dxj s SER 1300Cb 0.00 0.45 0.04 0.00 0.21 0.00 0.00 66.02 66.72 3dxj s SER 1300CO 0.04 -0.36 0.06 -0.75 0.41 0.00 0.00 173.24 172.64 3dxj s LYS 1301N -0.88 0.02 0.57 12.44 2.47 -0.89 -5.00 119.74 128.46 3dxj s LYS 1301Ca -0.10 0.23 -0.05 0.00 -1.56 0.00 0.00 55.97 54.49 3dxj s LYS 1301Cb -0.04 -0.91 0.01 0.00 -1.46 0.00 0.00 37.83 35.42 3dxj s LYS 1301CO 0.03 -0.42 0.86 -2.00 0.16 0.00 0.00 175.35 173.99 3dxj s GLU 1302N 2.14 2.94 -0.35 4.03 -6.30 -1.26 -1.01 118.70 118.89 3dxj s GLU 1302Ca 0.04 -0.08 0.04 0.00 -2.50 0.00 0.00 54.97 52.47 3dxj s GLU 1302Cb -0.13 -2.32 0.17 0.00 0.00 0.00 0.00 34.13 31.85 3dxj s GLU 1302CO -0.05 -0.63 0.46 0.71 0.02 0.00 0.00 175.26 175.77 3dxj s TYR 1303N -2.92 -0.97 1.03 5.30 1.51 0.11 -4.94 117.35 116.46 3dxj s TYR 1303Ca 0.53 -0.10 -0.12 0.00 -1.01 0.00 0.00 57.07 56.36 3dxj s TYR 1303Cb -0.10 -0.10 0.20 0.00 -0.11 0.00 0.00 41.96 41.85 3dxj s TYR 1303CO 0.44 -1.04 1.08 0.21 -1.11 0.00 0.00 175.55 175.13 3dxj s LYS 1304N 1.94 0.20 0.00 -0.62 2.20 -1.26 -1.87 119.74 120.32 3dxj s LYS 1304Ca 0.14 0.68 0.00 0.00 -0.36 0.00 0.00 55.97 56.43 3dxj s LYS 1304Cb -0.11 -1.70 0.00 0.00 -1.51 0.00 0.00 37.83 34.51 3dxj s LYS 1304CO -0.13 -2.93 0.00 1.47 -0.36 0.00 0.00 175.35 173.40 3dxj n LEU 1305N -4.34 0.00 -4.65 5.43 -0.00 -1.13 -4.88 117.00 107.43 3dxj n LEU 1305Ca 0.05 0.00 -0.39 0.00 -0.00 0.00 0.00 56.01 55.67 3dxj n LEU 1305Cb 0.56 0.00 0.03 0.00 -0.00 0.00 0.00 43.42 44.01 3dxj n LEU 1305CO 0.57 0.00 0.69 -2.65 -0.00 0.00 0.00 177.39 176.00 3dxj n PRO 1306N -0.34 1.32 0.26 1.47 -0.02 -1.26 -4.47 135.00 131.96 3dxj n PRO 1306Ca 0.00 0.49 0.17 0.00 -2.02 0.00 0.00 63.50 62.14 3dxj n PRO 1306Cb 0.00 -2.25 0.74 0.00 -0.02 0.00 0.00 33.50 31.97 3dxj n PRO 1306CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3dxj h LYS 1307N 1.18 0.00 0.00 -0.52 6.56 -1.91 -1.36 116.57 120.51 3dxj h LYS 1307Ca -0.48 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.11 3dxj h LYS 1307Cb 1.33 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.99 3dxj h LYS 1307CO 0.55 0.00 0.00 -0.85 -2.06 0.00 0.00 179.45 177.09 3dxj n GLU 1308N -2.92 0.20 -1.63 3.15 0.28 -1.26 -4.67 120.64 113.79 3dxj n GLU 1308Ca 0.00 0.45 -0.43 0.00 -0.16 0.00 0.00 57.16 57.03 3dxj n GLU 1308Cb 0.25 -1.90 -0.03 0.00 1.43 0.00 0.00 31.44 31.18 3dxj n GLU 1308CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3dxj n ALA 1309N -1.79 1.67 -2.32 -1.84 0.00 -0.52 -4.87 120.51 110.84 3dxj n ALA 1309Ca 0.02 -0.01 -0.41 0.00 0.00 0.00 0.00 53.44 53.04 3dxj n ALA 1309Cb 0.21 -2.80 -0.03 0.00 0.00 0.00 0.00 19.45 16.84 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 5.37 3.12 1.09 0.00 3.52 -1.26 -4.96 118.95 125.83 3dxj s ARG 1310Ca 0.95 0.40 -0.16 0.00 -0.13 0.00 0.00 55.73 56.78 3dxj s ARG 1310Cb -0.39 -4.20 0.12 0.00 -1.56 0.00 0.00 34.95 28.92 3dxj s ARG 1310CO 0.39 -2.16 0.25 -0.11 -0.81 0.00 0.00 175.30 172.86 3dxj n LEU 1311N 10.31 -1.65 0.00 -0.88 7.94 -1.26 0.70 117.00 132.16 3dxj n LEU 1311Ca 0.13 -0.03 0.00 0.00 -1.11 0.00 0.00 56.01 55.00 3dxj n LEU 1311Cb 0.50 -1.06 0.00 0.00 0.53 0.00 0.00 43.42 43.39 3dxj n LEU 1311CO 0.71 -3.20 0.12 -0.11 -1.11 0.00 0.00 177.39 173.80 3dxj n LEU 1312N -2.10 0.00 -3.92 -1.96 7.94 -0.03 -4.17 117.00 112.76 3dxj n LEU 1312Ca 0.02 -0.13 -0.09 0.00 -1.11 0.00 0.00 56.01 54.70 3dxj n LEU 1312Cb 0.59 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.49 3dxj n LEU 1312CO 0.52 0.15 0.14 0.54 -1.11 0.00 0.00 177.39 177.63 3dxj s VAL 1313N 0.00 0.03 0.50 1.96 0.11 -1.25 -4.94 120.40 116.81 3dxj s VAL 1313Ca 0.00 -1.24 0.01 0.00 -2.93 0.00 0.00 61.98 57.83 3dxj s VAL 1313Cb 0.00 -1.92 -0.01 0.00 -1.53 0.00 0.00 36.38 32.92 3dxj s VAL 1313CO 0.00 -0.13 0.03 -0.54 -3.33 0.00 0.00 175.10 171.13 3dxj s LYS 1314N -3.96 2.16 0.97 1.54 1.02 -1.26 -5.14 119.74 115.07 3dxj s LYS 1314Ca 0.17 -2.38 -0.12 0.00 0.02 0.00 0.00 55.97 53.66 3dxj s LYS 1314Cb 0.01 -1.34 0.17 0.00 -0.52 0.00 0.00 37.83 36.15 3dxj s LYS 1314CO 0.03 -0.40 1.09 -0.51 -0.92 0.00 0.00 175.35 174.64 3dxj s ASP 1315N -3.83 2.90 -1.46 2.83 1.01 -1.26 -3.72 116.67 113.13 3dxj s ASP 1315Ca 0.08 1.27 -0.12 0.00 0.71 0.00 0.00 52.55 54.50 3dxj s ASP 1315Cb 0.01 -1.94 0.08 0.00 1.01 0.00 0.00 42.92 42.08 3dxj s ASP 1315CO 0.05 -2.97 0.72 0.61 0.21 0.00 0.00 175.17 173.79 3dxj n GLY 1316N -1.12 -0.49 3.26 0.21 0.00 -1.10 -4.90 105.19 101.05 3dxj n GLY 1316Ca 0.06 0.14 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.00 3.10 0.04 1.61 1.01 -1.24 -4.92 116.67 113.26 3dxj s ASP 1317Ca 0.53 -0.52 -0.17 0.00 0.71 0.00 0.00 52.55 53.11 3dxj s ASP 1317Cb -0.27 -0.96 -0.06 0.00 1.01 0.00 0.00 42.92 42.64 3dxj s ASP 1317CO 0.66 0.23 0.49 -0.47 0.21 0.00 0.00 175.17 176.28 3dxj s TYR 1318N -0.07 3.76 0.14 4.23 5.04 -1.26 -1.82 117.35 127.37 3dxj s TYR 1318Ca -0.06 1.12 0.02 0.00 -2.44 0.00 0.00 57.07 55.71 3dxj s TYR 1318Cb -0.15 -2.38 -0.04 0.00 0.35 0.00 0.00 41.96 39.74 3dxj s TYR 1318CO 0.05 0.61 -0.04 0.14 -1.34 0.00 0.00 175.55 174.96 3dxj s VAL 1319N -1.12 0.78 0.04 3.14 -7.23 -0.80 -5.01 120.40 110.21 3dxj s VAL 1319Ca 0.27 -1.98 0.07 0.00 -1.81 0.00 0.00 61.98 58.52 3dxj s VAL 1319Cb -0.18 -1.92 -0.03 0.00 0.56 0.00 0.00 36.38 34.81 3dxj s VAL 1319CO 0.16 -0.67 -0.16 -1.61 -0.31 0.00 0.00 175.10 172.51 3dxj s GLU 1320N -3.85 2.12 0.15 4.82 2.02 -1.26 -3.08 118.70 119.62 3dxj s GLU 1320Ca 0.18 -0.96 -0.34 0.00 0.02 0.00 0.00 54.97 53.87 3dxj s GLU 1320Cb 0.05 -2.23 -0.14 0.00 0.10 0.00 0.00 34.13 31.91 3dxj s GLU 1320CO 0.00 0.54 1.57 0.00 0.02 0.00 0.00 175.26 177.40 3dxj n ALA 1321N 1.45 1.25 -0.87 5.21 0.00 0.25 -1.76 120.51 126.04 3dxj n ALA 1321Ca -0.16 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.73 3dxj n ALA 1321Cb 0.52 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.63 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 3.39 1.28 3.16 0.00 0.00 0.44 -4.04 105.19 109.43 3dxj n GLY 1322Ca 0.17 -0.37 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.25 2.83 0.94 1.61 0.74 -0.72 -4.89 119.66 117.91 3dxj s GLN 1323Ca 0.00 -0.79 -0.12 0.00 0.05 0.00 0.00 55.36 54.50 3dxj s GLN 1323Cb 0.00 -2.24 0.06 0.00 1.10 0.00 0.00 33.01 31.94 3dxj s GLN 1323CO 0.00 0.06 0.59 -0.35 -0.55 0.00 0.00 175.29 175.04 3dxj n PRO 1324N 3.86 -0.33 0.00 1.67 -0.04 -1.26 -1.52 135.00 137.37 3dxj n PRO 1324Ca -0.20 -0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.22 3dxj n PRO 1324Cb 0.52 -1.99 0.00 0.00 -0.04 0.00 0.00 33.50 31.99 3dxj n PRO 1324CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3dxj n LEU 1325N -2.04 1.27 -4.63 1.53 4.77 0.14 -4.76 117.00 113.27 3dxj n LEU 1325Ca 0.08 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.83 3dxj n LEU 1325Cb 0.53 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.55 3dxj n LEU 1325CO 0.50 0.21 -0.34 0.42 -1.33 0.00 0.00 177.39 176.85 3dxj s THR 1326N -1.43 3.40 0.22 -5.08 -4.23 -1.20 -0.85 115.64 106.48 3dxj s THR 1326Ca 0.00 -1.91 -0.30 0.00 -1.18 0.00 0.00 61.69 58.30 3dxj s THR 1326Cb 0.00 -2.81 -0.09 0.00 1.34 0.00 0.00 72.50 70.95 3dxj s THR 1326CO 0.00 -0.36 1.20 -0.13 -0.54 0.00 0.00 174.62 174.79 3dxj s ARG 1327N -3.60 4.50 0.00 3.99 0.52 0.22 -4.43 118.95 120.15 3dxj s ARG 1327Ca 0.31 1.91 0.00 0.00 -0.52 0.00 0.00 55.73 57.43 3dxj s ARG 1327Cb -0.07 -3.21 0.00 0.00 0.52 0.00 0.00 34.95 32.20 3dxj s ARG 1327CO 0.19 -0.05 0.00 0.41 0.02 0.00 0.00 175.30 175.88 3dxj n GLY 1328N 1.86 1.11 3.78 -3.53 0.00 -1.26 -4.59 105.19 102.55 3dxj n GLY 1328Ca 0.03 -1.72 -0.39 0.00 0.00 0.00 0.00 46.02 43.94 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 -1.47 3.47 0.51 4.61 0.00 -0.47 -4.48 121.76 123.93 3dxj s ALA 1329Ca 0.00 0.25 -0.20 0.00 0.00 0.00 0.00 51.96 52.01 3dxj s ALA 1329Cb 0.00 -2.88 -0.07 0.00 0.00 0.00 0.00 23.12 20.17 3dxj s ALA 1329CO 0.00 0.26 1.07 0.42 0.00 0.00 0.00 175.76 177.52 3dxj s ILE 1330N -0.85 3.54 -0.20 0.00 1.01 -1.26 0.49 121.20 123.93 3dxj s ILE 1330Ca 0.34 0.96 -0.20 0.00 0.00 0.00 0.00 60.65 61.76 3dxj s ILE 1330Cb -0.21 -3.39 -0.03 0.00 0.01 0.00 0.00 42.46 38.84 3dxj s ILE 1330CO 0.23 -0.21 0.59 -0.62 0.00 0.00 0.00 174.94 174.94 3dxj s ASP 1331N -1.90 6.64 0.00 3.58 -1.08 -1.26 -4.68 116.67 117.98 3dxj s ASP 1331Ca 0.69 0.78 0.00 0.00 -0.52 0.00 0.00 52.55 53.50 3dxj s ASP 1331Cb -0.19 -2.33 0.00 0.00 -1.46 0.00 0.00 42.92 38.94 3dxj s ASP 1331CO 0.23 -0.24 0.76 -2.65 0.52 0.00 0.00 175.17 173.79 3dxj n PRO 1332N 4.93 0.00 0.00 4.34 -0.02 -1.26 -1.83 135.00 141.16 3dxj n PRO 1332Ca -0.03 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 3dxj n PRO 1332Cb 0.50 -1.26 0.00 0.00 -0.02 0.00 0.00 33.50 32.72 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 -1.98 0.00 -0.11 6.00 8.25 -1.26 -1.31 115.22 124.81 3dxj n HIS 1333Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.43 3dxj n HIS 1333Cb 0.00 -0.40 -0.03 0.00 1.12 0.00 0.00 29.99 30.68 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 -2.75 -0.12 -0.29 -0.41 6.02 -1.06 0.86 117.38 119.63 3dxj n GLN 1334Ca 0.00 0.72 0.01 0.00 -0.01 0.00 0.00 57.00 57.71 3dxj n GLN 1334Cb 0.00 -1.06 0.08 0.00 1.02 0.00 0.00 30.24 30.27 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 -0.94 -0.37 1.08 5.85 -0.42 0.19 115.31 120.70 3dxj h LEU 1335Ca 0.04 0.25 0.04 0.00 0.84 0.00 0.00 57.88 59.05 3dxj h LEU 1335Cb 0.11 0.56 -0.06 0.00 0.37 0.00 0.00 40.66 41.64 3dxj h LEU 1335CO -0.25 -0.28 -0.33 0.25 -0.34 0.00 0.00 178.44 177.49 3dxj h LEU 1336N -0.03 -1.15 -0.77 2.25 5.85 0.13 -1.79 115.31 119.80 3dxj h LEU 1336Ca 0.36 0.16 0.11 0.00 0.84 0.00 0.00 57.88 59.35 3dxj h LEU 1336Cb 0.59 0.48 -0.12 0.00 0.37 0.00 0.00 40.66 41.99 3dxj h LEU 1336CO -0.84 -0.19 -0.32 -0.62 -0.34 0.00 0.00 178.44 176.13 3dxj n GLU 1337N -4.26 -0.20 0.00 1.25 4.71 0.67 0.26 120.64 123.07 3dxj n GLU 1337Ca -0.01 1.18 0.00 0.00 -0.01 0.00 0.00 57.16 58.32 3dxj n GLU 1337Cb 0.18 -1.75 0.00 0.00 -1.01 0.00 0.00 31.44 28.86 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 -3.58 0.00 0.61 0.62 0.00 -0.74 -4.13 120.51 113.29 3dxj n ALA 1338Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3dxj n ALA 1338Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.75 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 -0.03 0.61 0.00 0.00 5.02 -0.80 -4.94 118.16 118.01 3dxj n LYS 1339Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3dxj n LYS 1339Cb 0.00 -1.22 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 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 0.57 0.66 0.00 0.72 0.00 0.73 -3.80 105.19 104.07 3dxj n GLY 1340Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.16 3dxj n GLY 1340CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3dxj n PRO 1341N 0.00 0.00 -0.01 1.61 -0.04 -1.26 -3.06 135.00 132.24 3dxj n PRO 1341Ca 0.00 0.04 -0.00 0.00 -0.04 0.00 0.00 63.50 63.50 3dxj n PRO 1341Cb 0.00 -0.77 -0.00 0.00 -0.04 0.00 0.00 33.50 32.69 3dxj n PRO 1341CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3dxj n GLU 1342N -0.31 -0.02 -0.40 0.54 4.71 -1.26 0.34 120.64 124.25 3dxj n GLU 1342Ca 0.00 0.11 -0.07 0.00 -0.01 0.00 0.00 57.16 57.18 3dxj n GLU 1342Cb 0.00 -0.16 -0.05 0.00 -1.01 0.00 0.00 31.44 30.22 3dxj n GLU 1342CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3dxj h ALA 1343N -0.04 -0.29 -0.30 0.62 0.00 -1.70 2.53 119.26 120.08 3dxj h ALA 1343Ca 0.01 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3dxj h ALA 1343Cb 0.01 1.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 3dxj h ALA 1343CO -0.03 -0.84 0.16 -0.24 0.00 0.00 0.00 179.25 178.29 3dxj h VAL 1344N -0.01 1.13 0.31 0.00 3.04 0.59 0.10 116.25 121.42 3dxj h VAL 1344Ca 0.23 -0.36 -0.01 0.00 -1.01 0.00 0.00 66.70 65.54 3dxj h VAL 1344Cb 0.49 0.83 -0.01 0.00 -2.01 0.00 0.00 31.29 30.59 3dxj h VAL 1344CO -0.94 0.13 -0.23 -0.33 -1.01 0.00 0.00 177.57 175.19 3dxj h GLU 1345N 0.36 -0.50 -0.75 4.17 5.08 0.34 -1.01 114.58 122.27 3dxj h GLU 1345Ca 0.10 0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.58 3dxj h GLU 1345Cb 0.07 0.11 -0.10 0.00 0.50 0.00 0.00 28.75 29.34 3dxj h GLU 1345CO -0.02 -0.33 -0.40 -2.13 -1.00 0.00 0.00 179.01 175.13 3dxj n ARG 1346N -3.72 -0.29 0.00 2.33 0.63 0.81 -0.23 116.66 116.20 3dxj n ARG 1346Ca -0.06 1.15 0.00 0.00 -0.92 0.00 0.00 57.85 58.01 3dxj n ARG 1346Cb 0.22 -1.69 0.00 0.00 0.45 0.00 0.00 32.46 31.44 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 -4.99 0.00 0.00 -0.14 9.36 0.35 -2.68 117.16 119.05 3dxj n TYR 1347Ca 0.03 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.25 3dxj n TYR 1347Cb 0.23 -0.37 0.00 0.00 -0.63 0.00 0.00 39.34 38.57 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 -2.37 0.00 -0.03 2.98 4.77 0.68 0.71 117.00 123.73 3dxj n LEU 1348Ca 0.00 0.28 -0.01 0.00 -0.03 0.00 0.00 56.01 56.25 3dxj n LEU 1348Cb 0.00 -0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.05 3dxj n LEU 1348CO 0.00 -0.03 0.23 0.52 -1.33 0.00 0.00 177.39 176.78 3dxj n VAL 1349N -0.98 -0.05 -0.04 4.08 0.31 -0.89 0.18 118.33 120.94 3dxj n VAL 1349Ca 0.00 0.78 -0.11 0.00 -0.01 0.00 0.00 64.34 65.00 3dxj n VAL 1349Cb 0.00 -1.02 -0.05 0.00 -0.91 0.00 0.00 33.84 31.86 3dxj n VAL 1349CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3dxj h GLU 1350N 0.00 0.24 -1.12 5.55 3.07 -1.14 0.63 114.58 121.81 3dxj h GLU 1350Ca 0.01 -0.04 0.31 0.00 -0.50 0.00 0.00 59.36 59.15 3dxj h GLU 1350Cb 0.03 -0.04 -0.10 0.00 -0.84 0.00 0.00 28.75 27.80 3dxj h GLU 1350CO -0.07 0.31 0.73 1.49 -1.40 0.00 0.00 179.01 180.06 3dxj h GLU 1351N 0.11 0.28 0.26 2.33 4.57 0.50 0.56 114.58 123.19 3dxj h GLU 1351Ca 0.05 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.20 3dxj h GLU 1351Cb 0.16 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.69 3dxj h GLU 1351CO -0.01 0.18 -0.12 0.82 -1.18 0.00 0.00 179.01 178.70 3dxj h ILE 1352N 0.28 0.00 -0.70 2.32 2.04 0.29 -3.30 117.51 118.44 3dxj h ILE 1352Ca 0.65 -0.72 0.11 0.00 1.00 0.00 0.00 64.86 65.90 3dxj h ILE 1352Cb 1.83 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 37.80 3dxj h ILE 1352CO -0.30 0.00 -0.28 0.00 0.00 0.00 0.00 178.15 177.57 3dxj n GLN 1353N -4.93 -0.17 -0.14 2.37 1.13 0.21 -0.16 117.38 115.69 3dxj n GLN 1353Ca -0.04 1.08 -0.03 0.00 -1.94 0.00 0.00 57.00 56.07 3dxj n GLN 1353Cb 0.14 -1.61 -0.02 0.00 0.11 0.00 0.00 30.24 28.86 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 -5.03 -0.14 0.00 -1.09 5.02 0.17 -1.66 118.16 115.43 3dxj n LYS 1354Ca 0.07 0.53 0.00 0.00 -2.02 0.00 0.00 58.31 56.89 3dxj n LYS 1354Cb 0.28 -0.79 0.00 0.00 -0.02 0.00 0.00 35.03 34.50 3dxj n LYS 1354CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3dxj n VAL 1355N -4.46 0.00 -0.06 -0.18 0.31 0.78 -1.35 118.33 113.36 3dxj n VAL 1355Ca 0.01 1.09 -0.02 0.00 -0.01 0.00 0.00 64.34 65.42 3dxj n VAL 1355Cb 0.10 -2.01 -0.01 0.00 -0.91 0.00 0.00 33.84 31.01 3dxj n VAL 1355CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 3dxj n TYR 1356N -0.87 -0.07 -0.21 3.52 4.02 -0.67 0.68 117.16 123.57 3dxj n TYR 1356Ca 0.00 0.19 0.01 0.00 -0.01 0.00 0.00 57.90 58.09 3dxj n TYR 1356Cb 0.00 -0.38 0.09 0.00 -0.02 0.00 0.00 39.34 39.04 3dxj n TYR 1356CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 176.86 175.92 3dxj h ARG 1357N 0.00 0.07 -0.65 -0.72 0.11 -1.39 0.14 114.38 111.94 3dxj h ARG 1357Ca 0.02 -0.00 0.19 0.00 0.10 0.00 0.00 59.98 60.29 3dxj h ARG 1357Cb 0.06 -0.02 -0.03 0.00 1.11 0.00 0.00 29.97 31.10 3dxj h ARG 1357CO -0.14 0.05 0.48 0.00 0.10 0.00 0.00 179.97 180.46 3dxj h ALA 1358N 1.60 2.60 -0.96 0.08 0.00 0.15 1.48 119.26 124.21 3dxj h ALA 1358Ca 0.33 -0.02 -0.49 0.00 0.00 0.00 0.00 54.91 54.73 3dxj h ALA 1358Cb 0.53 0.05 -0.29 0.00 0.00 0.00 0.00 17.79 18.08 3dxj h ALA 1358CO -0.58 -0.82 0.61 0.94 0.00 0.00 0.00 179.25 179.39 3dxj n GLN 1359N -4.28 2.35 -3.60 0.00 -0.06 0.41 -4.92 117.38 107.28 3dxj n GLN 1359Ca 0.13 -3.02 -0.26 0.00 -2.00 0.00 0.00 57.00 51.85 3dxj n GLN 1359Cb 0.74 -2.17 0.05 0.00 -4.06 0.00 0.00 30.24 24.79 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 -1.08 -0.87 3.13 1.69 0.00 0.51 -5.00 105.19 103.57 3dxj n GLY 1360Ca 0.58 0.41 -0.32 0.00 0.00 0.00 0.00 46.02 46.69 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 -3.51 1.92 -0.67 1.61 1.01 -0.63 -4.96 120.40 115.18 3dxj s VAL 1361Ca 0.36 -0.88 -0.19 0.00 0.00 0.00 0.00 61.98 61.27 3dxj s VAL 1361Cb -0.11 -1.73 0.12 0.00 0.00 0.00 0.00 36.38 34.66 3dxj s VAL 1361CO 0.83 0.52 0.79 -0.54 0.00 0.00 0.00 175.10 176.70 3dxj s LYS 1362N 1.02 3.18 -0.09 2.72 -0.14 -1.26 -3.59 119.74 121.58 3dxj s LYS 1362Ca -0.03 -1.45 0.01 0.00 -1.36 0.00 0.00 55.97 53.14 3dxj s LYS 1362Cb -0.15 -4.37 0.02 0.00 -1.68 0.00 0.00 37.83 31.66 3dxj s LYS 1362CO -0.05 -1.58 -0.09 -1.17 -0.76 0.00 0.00 175.35 171.70 3dxj s LEU 1363N 2.57 1.34 0.15 3.17 0.20 -1.26 -4.09 118.68 120.76 3dxj s LEU 1363Ca 0.16 -0.28 -0.31 0.00 0.69 0.00 0.00 54.13 54.39 3dxj s LEU 1363Cb -0.20 -0.79 -0.09 0.00 -0.43 0.00 0.00 46.19 44.68 3dxj s LEU 1363CO 0.03 -0.06 1.46 -2.28 -0.29 0.00 0.00 176.35 175.21 3dxj s HIS 1364N 1.28 3.16 0.07 5.38 5.65 -0.90 -4.91 115.29 125.02 3dxj s HIS 1364Ca -0.03 0.84 -0.14 0.00 0.25 0.00 0.00 55.06 55.98 3dxj s HIS 1364Cb -0.14 -3.79 -0.03 0.00 -1.18 0.00 0.00 32.58 27.45 3dxj s HIS 1364CO -0.03 -2.79 0.88 -0.25 -0.65 0.00 0.00 174.74 171.89 3dxj n ASP 1365N 3.78 -0.47 0.00 9.88 10.43 0.11 -2.73 116.55 137.56 3dxj n ASP 1365Ca 0.12 0.98 0.00 0.00 2.57 0.00 0.00 54.79 58.46 3dxj n ASP 1365Cb 0.41 -0.20 0.00 0.00 1.84 0.00 0.00 41.12 43.17 3dxj n ASP 1365CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 3dxj n LYS 1366N -4.13 0.00 -0.20 -1.24 5.02 -1.26 0.71 118.16 117.05 3dxj n LYS 1366Ca 0.01 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.25 3dxj n LYS 1366Cb 0.11 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.09 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 -1.02 -0.18 0.10 2.13 8.25 -1.10 0.21 115.22 123.60 3dxj n HIS 1367Ca 0.00 0.61 -0.13 0.00 -0.26 0.00 0.00 57.72 57.94 3dxj n HIS 1367Cb 0.00 -0.56 -0.07 0.00 1.12 0.00 0.00 29.99 30.49 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 0.79 -0.51 1.59 2.04 0.11 -2.72 117.51 118.81 3dxj h ILE 1368Ca 0.09 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.03 3dxj h ILE 1368Cb 0.21 0.79 -0.10 0.00 -0.74 0.00 0.00 36.82 36.98 3dxj h ILE 1368CO -0.46 0.00 -0.42 -0.33 0.00 0.00 0.00 178.15 176.93 3dxj h GLU 1369N -0.22 -0.25 -0.69 2.37 5.08 0.32 -0.63 114.58 120.56 3dxj h GLU 1369Ca 0.00 0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.48 3dxj h GLU 1369Cb 0.20 0.06 -0.12 0.00 0.50 0.00 0.00 28.75 29.39 3dxj h GLU 1369CO -0.02 -0.17 -0.45 0.82 -1.00 0.00 0.00 179.01 178.20 3dxj h ILE 1370N -0.26 0.06 -0.30 3.13 2.04 -0.16 0.13 117.51 122.16 3dxj h ILE 1370Ca 0.17 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.10 3dxj h ILE 1370Cb 0.57 0.06 -0.08 0.00 -0.74 0.00 0.00 36.82 36.63 3dxj h ILE 1370CO -0.64 0.00 -0.25 0.58 0.00 0.00 0.00 178.15 177.83 3dxj h VAL 1371N -0.17 0.36 -0.16 1.67 2.07 -0.87 -2.79 116.25 116.36 3dxj h VAL 1371Ca 0.20 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.76 3dxj h VAL 1371Cb 0.55 0.36 -0.07 0.00 -1.52 0.00 0.00 31.29 30.61 3dxj h VAL 1371CO -0.77 0.00 -0.51 0.58 0.02 0.00 0.00 177.57 176.89 3dxj h VAL 1372N -0.24 0.04 -0.68 2.57 2.07 0.22 -1.41 116.25 118.82 3dxj h VAL 1372Ca 0.15 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.79 3dxj h VAL 1372Cb 0.48 0.04 -0.12 0.00 -1.52 0.00 0.00 31.29 30.17 3dxj h VAL 1372CO -0.43 0.00 -0.22 -1.14 0.02 0.00 0.00 177.57 175.80 3dxj n ARG 1373N -5.43 -0.11 0.17 1.57 0.63 -0.60 0.20 116.66 113.09 3dxj n ARG 1373Ca -0.05 1.05 0.07 0.00 -0.92 0.00 0.00 57.85 58.00 3dxj n ARG 1373Cb 0.37 -1.57 0.38 0.00 0.45 0.00 0.00 32.46 32.09 3dxj n ARG 1373CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 3dxj n GLN 1374N -5.05 0.09 0.03 -0.14 1.13 -0.53 0.51 117.38 113.42 3dxj n GLN 1374Ca 0.09 0.58 0.02 0.00 -1.94 0.00 0.00 57.00 55.75 3dxj n GLN 1374Cb 0.31 -2.09 -0.08 0.00 0.11 0.00 0.00 30.24 28.48 3dxj n GLN 1374CO 0.00 0.00 0.00 -1.33 -1.44 0.00 0.00 177.06 174.29 3dxj n MET 1375N -2.08 0.63 0.05 -1.09 2.81 0.55 -3.77 117.12 114.21 3dxj n MET 1375Ca -0.01 0.15 -0.12 0.00 -1.81 0.00 0.00 57.70 55.91 3dxj n MET 1375Cb 0.31 -1.76 -0.13 0.00 -0.71 0.00 0.00 33.22 30.92 3dxj n MET 1375CO 0.00 0.00 0.00 0.52 1.51 0.00 0.00 175.97 178.00 3dxj h MET 1376N 0.00 0.12 0.00 0.03 2.86 0.12 -2.89 114.93 115.17 3dxj h MET 1376Ca -0.16 -0.21 0.00 0.00 -2.06 0.00 0.00 59.70 57.27 3dxj h MET 1376Cb 1.50 0.08 0.00 0.00 0.06 0.00 0.00 31.60 33.24 3dxj h MET 1376CO 0.03 0.97 0.00 1.17 1.06 0.00 0.00 176.91 180.14 3dxj n LYS 1377N -3.35 0.00 -3.27 1.72 4.81 0.26 -4.36 118.16 113.97 3dxj n LYS 1377Ca -0.11 0.00 -0.27 0.00 -0.87 0.00 0.00 58.31 57.07 3dxj n LYS 1377Cb 1.01 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 36.04 3dxj n LYS 1377CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 3dxj s TYR 1378N -4.10 3.50 0.10 5.64 1.51 -1.26 -0.24 117.35 122.50 3dxj s TYR 1378Ca 0.00 0.56 0.00 0.00 -1.01 0.00 0.00 57.07 56.62 3dxj s TYR 1378Cb 0.00 -2.05 -0.04 0.00 -0.11 0.00 0.00 41.96 39.76 3dxj s TYR 1378CO 0.00 0.10 -0.01 0.14 -1.11 0.00 0.00 175.55 174.67 3dxj s VAL 1379N -2.25 0.38 0.43 0.71 -7.23 -0.53 -3.12 120.40 108.79 3dxj s VAL 1379Ca 0.43 -1.89 0.08 0.00 -1.81 0.00 0.00 61.98 58.78 3dxj s VAL 1379Cb -0.10 -1.78 -0.01 0.00 0.56 0.00 0.00 36.38 35.05 3dxj s VAL 1379CO 0.34 -0.76 0.45 -0.70 -0.31 0.00 0.00 175.10 174.12 3dxj s GLU 1380N -3.93 2.60 0.07 4.82 2.12 0.11 0.28 118.70 124.77 3dxj s GLU 1380Ca 0.15 -1.47 0.08 0.00 0.36 0.00 0.00 54.97 54.09 3dxj s GLU 1380Cb 0.07 -2.49 -0.03 0.00 0.26 0.00 0.00 34.13 31.93 3dxj s GLU 1380CO -0.04 -0.26 -0.19 0.54 -0.54 0.00 0.00 175.26 174.77 3dxj s VAL 1381N -2.45 2.71 0.00 3.70 0.11 -0.73 0.49 120.40 124.23 3dxj s VAL 1381Ca 0.50 -1.33 0.00 0.00 -2.93 0.00 0.00 61.98 58.22 3dxj s VAL 1381Cb -0.05 -2.17 0.00 0.00 -1.53 0.00 0.00 36.38 32.63 3dxj s VAL 1381CO 0.30 0.26 0.00 0.35 -3.33 0.00 0.00 175.10 172.67 3dxj n THR 1382N 1.31 0.00 -4.19 5.04 -2.24 -0.90 -4.55 114.28 108.76 3dxj n THR 1382Ca -0.16 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.29 3dxj n THR 1382Cb 0.52 -0.34 -0.16 0.00 -2.10 0.00 0.00 70.33 68.25 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 -3.48 3.07 0.92 3.42 -1.08 -0.80 -4.93 116.67 113.78 3dxj s ASP 1383Ca 0.00 -0.62 -0.13 0.00 -0.52 0.00 0.00 52.55 51.28 3dxj s ASP 1383Cb 0.00 -1.44 0.19 0.00 -1.46 0.00 0.00 42.92 40.21 3dxj s ASP 1383CO 0.00 0.00 1.26 -2.16 0.52 0.00 0.00 175.17 174.79 3dxj s PRO 1384N 1.24 0.78 0.00 4.34 0.04 -1.26 -2.54 135.00 137.60 3dxj s PRO 1384Ca 0.03 -0.63 0.00 0.00 0.04 0.00 0.00 61.00 60.45 3dxj s PRO 1384Cb -0.13 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.45 3dxj s PRO 1384CO -0.11 -2.25 0.00 0.41 0.04 0.00 0.00 177.00 175.08 3dxj n GLY 1385N -3.58 0.00 0.00 0.56 0.00 -1.26 -4.52 105.19 96.38 3dxj n GLY 1385Ca 0.16 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3dxj n GLY 1385CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3dxj n ASP 1386N -1.80 0.00 -4.58 1.61 -0.08 -1.26 -5.10 116.55 105.34 3dxj n ASP 1386Ca 0.00 -0.19 -0.31 0.00 -1.51 0.00 0.00 54.79 52.77 3dxj n ASP 1386Cb 0.00 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.36 3dxj n ASP 1386CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 3dxj s SER 1387N 0.00 4.50 0.00 1.67 0.01 -1.26 -5.15 113.70 113.47 3dxj s SER 1387Ca 0.00 -0.23 0.00 0.00 1.31 0.00 0.00 55.95 57.03 3dxj s SER 1387Cb 0.00 -0.98 0.00 0.00 0.21 0.00 0.00 66.02 65.25 3dxj s SER 1387CO 0.00 0.25 0.00 -2.11 0.41 0.00 0.00 173.24 171.79 3dxj n ARG 1388N 1.32 1.06 -0.10 12.44 1.85 -1.26 -4.30 116.66 127.68 3dxj n ARG 1388Ca -0.15 0.00 -0.18 0.00 -1.00 0.00 0.00 57.85 56.52 3dxj n ARG 1388Cb 0.52 0.00 -0.09 0.00 -1.05 0.00 0.00 32.46 31.84 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 1.85 0.14 2.89 4.77 -1.26 -4.35 117.00 121.04 3dxj n LEU 1389Ca 0.00 0.47 0.16 0.00 -0.03 0.00 0.00 56.01 56.61 3dxj n LEU 1389Cb 0.00 -0.94 0.73 0.00 -2.33 0.00 0.00 43.42 40.89 3dxj n LEU 1389CO 0.00 0.11 1.14 0.25 -1.33 0.00 0.00 177.39 177.57 3dxj h LEU 1390N -1.00 0.00 -7.53 2.23 5.85 -1.97 -3.21 115.31 109.67 3dxj h LEU 1390Ca -0.28 0.00 -0.58 0.00 0.84 0.00 0.00 57.88 57.85 3dxj h LEU 1390Cb 1.14 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.10 3dxj h LEU 1390CO -0.17 0.00 1.47 -0.62 -0.34 0.00 0.00 178.44 178.78 3dxj n GLU 1391N -4.19 0.00 -3.42 1.25 1.02 -1.26 -4.66 120.64 109.38 3dxj n GLU 1391Ca 0.04 0.00 -0.44 0.00 -0.02 0.00 0.00 57.16 56.74 3dxj n GLU 1391Cb 0.38 -1.41 -0.07 0.00 -0.02 0.00 0.00 31.44 30.32 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 7.22 2.04 0.06 0.62 0.00 -1.25 -1.77 107.32 114.24 3dxj s GLY 1392Ca 1.21 -2.29 0.08 0.00 0.00 0.00 0.00 44.72 43.72 3dxj s GLY 1392CO 0.53 1.09 -0.21 1.20 0.00 0.00 0.00 173.10 175.71 3dxj s GLN 1393N 1.56 1.27 -0.41 2.90 1.11 0.81 -4.74 119.66 122.16 3dxj s GLN 1393Ca 0.04 -1.01 -0.39 0.00 0.01 0.00 0.00 55.36 54.00 3dxj s GLN 1393Cb -0.26 -1.44 -0.17 0.00 -1.01 0.00 0.00 33.01 30.13 3dxj s GLN 1393CO 0.04 0.36 1.33 0.28 0.01 0.00 0.00 175.29 177.30 3dxj n VAL 1394N 1.57 0.00 -0.09 1.09 0.31 -1.26 -1.45 118.33 118.50 3dxj n VAL 1394Ca -0.18 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.02 3dxj n VAL 1394Cb 0.53 -0.41 -0.09 0.00 -0.91 0.00 0.00 33.84 32.97 3dxj n VAL 1394CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 3dxj h LEU 1395N 4.13 -1.63 -1.71 7.52 5.85 -0.91 -2.78 115.31 125.77 3dxj h LEU 1395Ca -0.37 0.21 -0.04 0.00 0.84 0.00 0.00 57.88 58.52 3dxj h LEU 1395Cb 1.15 0.66 -0.01 0.00 0.37 0.00 0.00 40.66 42.83 3dxj h LEU 1395CO 0.81 -0.38 -0.17 -0.08 -0.34 0.00 0.00 178.44 178.28 3dxj h GLU 1396N -0.41 0.00 -2.59 1.25 4.81 -1.91 -2.98 114.58 112.75 3dxj h GLU 1396Ca 0.05 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 3dxj h GLU 1396Cb 0.56 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 3dxj h GLU 1396CO -0.49 0.17 0.25 1.63 -0.73 0.00 0.00 179.01 179.84 3dxj n LYS 1397N -4.13 0.29 0.00 1.92 5.02 -1.05 0.46 118.16 120.68 3dxj n LYS 1397Ca -0.02 -0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.15 3dxj n LYS 1397Cb 0.25 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 3dxj n LYS 1397CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 3dxj n TRP 1398N 2.63 0.00 0.00 2.13 7.02 -1.13 -4.79 117.44 123.30 3dxj n TRP 1398Ca 0.05 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.53 3dxj n TRP 1398Cb 0.14 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.03 3dxj n TRP 1398CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 3dxj n ASP 1399N 0.00 0.00 -0.35 -0.99 -0.08 0.17 0.34 116.55 115.64 3dxj n ASP 1399Ca 0.00 0.32 -0.09 0.00 -1.51 0.00 0.00 54.79 53.51 3dxj n ASP 1399Cb 0.01 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 43.38 3dxj n ASP 1399CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 3dxj n VAL 1400N -0.42 -0.57 0.00 5.18 0.31 -1.26 0.82 118.33 122.39 3dxj n VAL 1400Ca 0.00 2.23 0.00 0.00 -0.01 0.00 0.00 64.34 66.56 3dxj n VAL 1400Cb 0.00 -2.77 0.00 0.00 -0.91 0.00 0.00 33.84 30.16 3dxj n VAL 1400CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3dxj n GLU 1401N -4.91 0.00 0.00 5.55 4.71 -1.18 0.42 120.64 125.22 3dxj n GLU 1401Ca 0.02 0.77 0.00 0.00 -0.01 0.00 0.00 57.16 57.94 3dxj n GLU 1401Cb 0.22 -1.40 0.00 0.00 -1.01 0.00 0.00 31.44 29.25 3dxj n GLU 1401CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3dxj n ALA 1402N -2.36 1.88 0.03 0.62 0.00 1.04 -1.22 120.51 120.49 3dxj n ALA 1402Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3dxj n ALA 1402Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 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 -0.38 0.89 -0.21 0.00 7.94 0.24 -4.66 117.00 120.82 3dxj n LEU 1403Ca 0.00 -0.92 0.15 0.00 -1.11 0.00 0.00 56.01 54.13 3dxj n LEU 1403Cb 0.02 0.00 0.76 0.00 0.53 0.00 0.00 43.42 44.73 3dxj n LEU 1403CO 0.00 0.22 1.00 0.59 -1.11 0.00 0.00 177.39 178.09 3dxj n ASN 1404N -0.13 0.65 0.00 1.96 3.02 0.11 -0.78 115.26 120.09 3dxj n ASN 1404Ca 0.00 -1.22 0.00 0.00 -0.03 0.00 0.00 54.58 53.34 3dxj n ASN 1404Cb 0.02 -0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.19 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 -0.49 0.00 -0.52 3.52 -0.00 -1.26 0.70 120.64 122.59 3dxj n GLU 1405Ca 0.22 0.00 0.10 0.00 -0.00 0.00 0.00 57.16 57.48 3dxj n GLU 1405Cb 0.22 -0.16 0.35 0.00 -0.00 0.00 0.00 31.44 31.84 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 3.32 0.00 3.44 1.74 -1.26 0.19 116.66 124.09 3dxj n ARG 1406Ca 0.00 -2.79 0.00 0.00 -0.77 0.00 0.00 57.85 54.29 3dxj n ARG 1406Cb 0.00 -1.77 0.00 0.00 -1.02 0.00 0.00 32.46 29.67 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 1.37 0.00 0.14 0.55 4.77 -1.26 -4.68 117.00 117.90 3dxj n LEU 1407Ca 0.26 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 56.18 3dxj n LEU 1407Cb 0.78 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.85 3dxj n LEU 1407CO 0.21 0.00 0.51 0.40 -1.33 0.00 0.00 177.39 177.18 3dxj h ILE 1408N 0.00 0.00 0.00 -0.08 2.04 -1.10 -3.27 117.51 115.10 3dxj h ILE 1408Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3dxj h ILE 1408Cb 0.00 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.08 3dxj h ILE 1408CO 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 178.15 177.55 3dxj n ALA 1409N -2.20 2.98 -0.60 1.87 0.00 -0.15 -4.88 120.51 117.54 3dxj n ALA 1409Ca -0.05 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.14 3dxj n ALA 1409Cb 0.14 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.42 3dxj n ALA 1409CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3dxj n GLU 1410N -2.03 -0.32 0.23 0.00 -0.58 0.22 -4.74 120.64 113.42 3dxj n GLU 1410Ca 0.04 0.08 0.14 0.00 -0.42 0.00 0.00 57.16 57.00 3dxj n GLU 1410Cb 0.42 -4.50 0.75 0.00 -0.57 0.00 0.00 31.44 27.55 3dxj n GLU 1410CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 3dxj h GLY 1411N 0.00 0.00 -0.44 0.62 0.00 -0.36 -3.41 103.07 99.48 3dxj h GLY 1411Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 3dxj h GLY 1411CO 0.00 0.00 -0.06 0.28 0.00 0.00 0.00 176.54 176.76 3dxj n LYS 1412N -2.52 -1.77 -2.79 4.80 5.02 0.50 -4.84 118.16 116.56 3dxj n LYS 1412Ca -0.02 0.37 -0.43 0.00 -2.02 0.00 0.00 58.31 56.21 3dxj n LYS 1412Cb 0.13 -4.10 -0.01 0.00 -0.02 0.00 0.00 35.03 31.02 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 -0.93 4.53 0.99 -0.18 2.01 -1.26 -4.91 115.64 115.89 3dxj s THR 1413Ca 0.00 -1.79 -0.17 0.00 0.31 0.00 0.00 61.69 60.05 3dxj s THR 1413Cb 0.00 -4.96 -0.11 0.00 0.01 0.00 0.00 72.50 67.44 3dxj s THR 1413CO 0.00 -1.73 -0.58 -2.65 -0.69 0.00 0.00 174.62 168.97 3dxj n PRO 1414N 7.12 -0.07 -3.47 4.92 -0.02 -1.26 -4.70 135.00 137.51 3dxj n PRO 1414Ca 0.34 -0.01 -0.26 0.00 -2.02 0.00 0.00 63.50 61.55 3dxj n PRO 1414Cb 0.47 -1.18 -0.12 0.00 -0.02 0.00 0.00 33.50 32.65 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 -2.08 -0.06 0.10 -1.45 -7.23 -1.26 -4.39 120.40 104.03 3dxj s VAL 1415Ca 0.43 -1.15 -0.13 0.00 -1.81 0.00 0.00 61.98 59.32 3dxj s VAL 1415Cb -0.18 -0.99 -0.06 0.00 0.56 0.00 0.00 36.38 35.71 3dxj s VAL 1415CO 0.79 -0.79 0.48 0.00 -0.31 0.00 0.00 175.10 175.28 3dxj s ALA 1416N 1.62 3.64 0.00 1.32 0.00 -1.05 -4.92 121.76 122.36 3dxj s ALA 1416Ca 0.14 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 51.90 3dxj s ALA 1416Cb -0.19 -2.44 0.00 0.00 0.00 0.00 0.00 23.12 20.50 3dxj s ALA 1416CO -0.16 0.49 0.00 -2.67 0.00 0.00 0.00 175.76 173.41 3dxj n TRP 1417N 1.07 0.00 -3.66 0.00 2.14 -1.26 -1.90 117.44 113.83 3dxj n TRP 1417Ca -0.08 0.00 -0.14 0.00 2.07 0.00 0.00 57.50 59.36 3dxj n TRP 1417Cb 0.52 0.00 -0.13 0.00 -0.81 0.00 0.00 31.31 30.89 3dxj n TRP 1417CO 0.00 0.00 0.00 0.21 2.07 0.00 0.00 177.69 179.97 3dxj s LYS 1418N -0.12 0.15 0.31 -2.67 2.20 0.18 -4.64 119.74 115.15 3dxj s LYS 1418Ca 0.00 0.74 -0.29 0.00 -0.36 0.00 0.00 55.97 56.06 3dxj s LYS 1418Cb 0.00 -0.06 -0.12 0.00 -1.51 0.00 0.00 37.83 36.14 3dxj s LYS 1418CO 0.00 -0.30 1.50 -2.30 -0.36 0.00 0.00 175.35 173.89 3dxj n PRO 1419N 5.35 2.50 -4.96 4.03 -0.02 -1.26 0.04 135.00 140.69 3dxj n PRO 1419Ca -0.06 0.89 -0.32 0.00 -2.02 0.00 0.00 63.50 61.98 3dxj n PRO 1419Cb 0.50 -2.61 -0.14 0.00 -0.02 0.00 0.00 33.50 31.23 3dxj n PRO 1419CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3dxj s LEU 1420N -0.84 2.56 -0.43 2.45 1.02 -1.18 -4.77 118.68 117.48 3dxj s LEU 1420Ca 0.61 -0.31 -0.03 0.00 0.02 0.00 0.00 54.13 54.41 3dxj s LEU 1420Cb -0.53 -1.52 0.12 0.00 0.02 0.00 0.00 46.19 44.28 3dxj s LEU 1420CO 0.54 0.27 0.24 -0.22 0.02 0.00 0.00 176.35 177.20 3dxj s LEU 1421N -0.29 5.28 0.01 1.79 2.96 -1.26 -4.10 118.68 123.07 3dxj s LEU 1421Ca 0.01 -2.11 0.04 0.00 -0.22 0.00 0.00 54.13 51.86 3dxj s LEU 1421Cb -0.13 -1.84 -0.01 0.00 0.50 0.00 0.00 46.19 44.71 3dxj s LEU 1421CO 0.03 -0.54 -0.14 0.00 -1.32 0.00 0.00 176.35 174.38 3dxj s MET 1422N 1.03 1.04 0.39 1.98 0.23 -1.09 -4.98 119.30 117.89 3dxj s MET 1422Ca 0.09 -0.58 -0.26 0.00 -1.03 0.00 0.00 55.69 53.91 3dxj s MET 1422Cb -0.23 -1.02 -0.09 0.00 -1.53 0.00 0.00 34.83 31.97 3dxj s MET 1422CO -0.04 0.27 1.20 0.20 -2.03 0.00 0.00 175.02 174.63 3dxj s GLY 1423N -0.60 2.90 0.04 3.16 0.00 -1.26 -4.47 107.32 107.09 3dxj s GLY 1423Ca 0.04 1.04 -0.07 0.00 0.00 0.00 0.00 44.72 45.73 3dxj s GLY 1423CO 0.00 1.59 0.43 3.33 0.00 0.00 0.00 173.10 178.45 3dxj n VAL 1424N 0.22 -0.16 -0.39 1.40 0.24 -1.15 -0.09 118.33 118.40 3dxj n VAL 1424Ca 0.03 0.67 -0.10 0.00 -2.04 0.00 0.00 64.34 62.90 3dxj n VAL 1424Cb 0.45 -0.84 -0.09 0.00 -1.47 0.00 0.00 33.84 31.89 3dxj n VAL 1424CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 3dxj h THR 1425N 0.00 0.00 0.00 3.34 2.02 -1.91 0.49 112.91 116.85 3dxj h THR 1425Ca 0.04 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.22 3dxj h THR 1425Cb 0.10 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.51 3dxj h THR 1425CO -0.22 0.00 0.00 1.17 0.37 0.00 0.00 175.52 176.84 3dxj n LYS 1426N -5.13 0.00 -0.36 6.66 3.00 0.88 -0.79 118.16 122.42 3dxj n LYS 1426Ca 0.02 0.50 0.00 0.00 -0.00 0.00 0.00 58.31 58.83 3dxj n LYS 1426Cb 0.25 -1.31 0.06 0.00 0.00 0.00 0.00 35.03 34.02 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 -1.74 -0.56 -0.15 3.14 3.41 -1.00 0.21 113.62 116.93 3dxj n SER 1427Ca 0.00 1.65 -0.03 0.00 -0.26 0.00 0.00 58.87 60.23 3dxj n SER 1427Cb 0.00 -0.40 0.06 0.00 -0.26 0.00 0.00 64.21 63.61 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 1.43 0.57 0.00 7.33 0.00 -0.85 0.28 119.26 128.02 3dxj h ALA 1428Ca 0.36 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.34 3dxj h ALA 1428Cb 0.59 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3dxj h ALA 1428CO -0.95 -0.26 0.00 -0.11 0.00 0.00 0.00 179.25 177.94 3dxj n LEU 1429N -5.04 1.49 -0.36 0.00 7.94 0.56 -2.64 117.00 118.95 3dxj n LEU 1429Ca 0.05 -0.75 0.00 0.00 -1.11 0.00 0.00 56.01 54.20 3dxj n LEU 1429Cb 0.21 -0.27 0.00 0.00 0.53 0.00 0.00 43.42 43.89 3dxj n LEU 1429CO 0.23 0.25 0.23 -1.20 -1.11 0.00 0.00 177.39 175.80 3dxj n SER 1430N 0.66 0.00 -4.73 1.96 7.64 0.97 -4.97 113.62 115.15 3dxj n SER 1430Ca 0.00 -1.52 -0.29 0.00 1.01 0.00 0.00 58.87 58.06 3dxj n SER 1430Cb 0.25 -0.10 0.14 0.00 -1.01 0.00 0.00 64.21 63.49 3dxj n SER 1430CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3dxj s THR 1431N 0.00 2.37 0.04 0.44 -4.23 -1.08 -4.95 115.64 108.23 3dxj s THR 1431Ca 0.00 0.12 -0.22 0.00 -1.18 0.00 0.00 61.69 60.41 3dxj s THR 1431Cb 0.00 -2.71 -0.15 0.00 1.34 0.00 0.00 72.50 70.98 3dxj s THR 1431CO 0.00 -0.16 1.42 0.50 -0.54 0.00 0.00 174.62 175.84 3dxj h LYS 1432N -1.58 0.21 -5.58 3.99 3.64 -1.96 -3.40 116.57 111.89 3dxj h LYS 1432Ca -0.51 -0.08 -0.47 0.00 -1.27 0.00 0.00 60.65 58.31 3dxj h LYS 1432Cb 1.31 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 3dxj h LYS 1432CO 0.58 0.52 1.64 0.45 -2.27 0.00 0.00 179.45 180.38 3dxj n SER 1433N -4.75 2.19 -0.16 4.20 2.88 -1.26 -4.80 113.62 111.93 3dxj n SER 1433Ca -0.06 -0.41 0.01 0.00 -1.33 0.00 0.00 58.87 57.08 3dxj n SER 1433Cb 0.25 -1.53 0.28 0.00 -0.75 0.00 0.00 64.21 62.46 3dxj n SER 1433CO 0.00 0.00 0.00 4.11 -1.23 0.00 0.00 175.04 177.92 3dxj h TRP 1434N 18.71 0.84 0.00 0.66 0.09 -1.93 -2.32 115.95 132.00 3dxj h TRP 1434Ca -0.23 0.01 0.00 0.00 0.09 0.00 0.00 58.89 58.76 3dxj h TRP 1434Cb 1.27 -0.28 0.00 0.00 0.08 0.00 0.00 29.16 30.23 3dxj h TRP 1434CO 0.97 0.55 0.00 1.28 0.09 0.00 0.00 178.44 181.33 3dxj n LEU 1435N -4.42 0.00 -0.32 0.11 4.77 -1.26 0.40 117.00 116.28 3dxj n LEU 1435Ca 0.07 0.50 -0.06 0.00 -0.03 0.00 0.00 56.01 56.48 3dxj n LEU 1435Cb 0.06 -0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.10 3dxj n LEU 1435CO 0.36 -0.00 0.40 -1.20 -1.33 0.00 0.00 177.39 175.62 3dxj n SER 1436N -0.77 -0.73 -0.34 -1.43 7.64 -1.23 0.28 113.62 117.05 3dxj n SER 1436Ca 0.00 1.39 0.06 0.00 1.01 0.00 0.00 58.87 61.32 3dxj n SER 1436Cb 0.00 -0.22 0.13 0.00 -1.01 0.00 0.00 64.21 63.11 3dxj n SER 1436CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3dxj n ALA 1437N -3.47 0.22 0.24 -0.43 0.00 -0.87 0.16 120.51 116.36 3dxj n ALA 1437Ca 0.04 1.02 0.13 0.00 0.00 0.00 0.00 53.44 54.63 3dxj n ALA 1437Cb 0.24 -0.61 0.44 0.00 0.00 0.00 0.00 19.45 19.52 3dxj n ALA 1437CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dxj h ALA 1438N 1.86 0.98 0.00 0.00 0.00 0.89 -2.99 119.26 120.00 3dxj h ALA 1438Ca 0.45 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.26 3dxj h ALA 1438Cb 0.68 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3dxj h ALA 1438CO -0.96 0.13 0.00 0.45 0.00 0.00 0.00 179.25 178.87 3dxj n SER 1439N -3.19 0.00 0.00 0.00 2.88 0.43 -4.58 113.62 109.16 3dxj n SER 1439Ca 0.01 0.41 0.00 0.00 -1.33 0.00 0.00 58.87 57.96 3dxj n SER 1439Cb 0.43 -0.44 0.00 0.00 -0.75 0.00 0.00 64.21 63.45 3dxj n SER 1439CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 3dxj n PHE 1440N -1.44 0.00 -2.61 0.66 0.99 -1.13 -5.01 117.46 108.92 3dxj n PHE 1440Ca 0.02 0.00 -0.33 0.00 -0.00 0.00 0.00 57.45 57.14 3dxj n PHE 1440Cb 0.08 0.00 -0.05 0.00 -1.00 0.00 0.00 39.48 38.51 3dxj n PHE 1440CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.76 175.62 3dxj s GLN 1441N 3.06 3.97 -0.82 -1.08 0.74 -1.26 -4.07 119.66 120.21 3dxj s GLN 1441Ca 0.00 1.21 -0.04 0.00 0.05 0.00 0.00 55.36 56.58 3dxj s GLN 1441Cb 0.00 -2.13 -0.05 0.00 1.10 0.00 0.00 33.01 31.93 3dxj s GLN 1441CO 0.00 -0.27 0.71 -1.71 -0.55 0.00 0.00 175.29 173.47 3dxj n ASN 1442N -0.96 -5.28 0.17 6.67 4.05 -1.26 -4.93 115.26 113.72 3dxj n ASN 1442Ca 0.08 -0.54 0.02 0.00 0.45 0.00 0.00 54.58 54.59 3dxj n ASN 1442Cb 0.53 -4.13 0.35 0.00 1.23 0.00 0.00 39.78 37.76 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 -0.89 1.27 0.00 -0.44 2.02 -1.81 -3.25 112.91 109.81 3dxj h THR 1443Ca -0.47 -1.28 0.00 0.00 0.77 0.00 0.00 66.41 65.44 3dxj h THR 1443Cb 1.24 1.66 0.00 0.00 -1.74 0.00 0.00 68.15 69.31 3dxj h THR 1443CO 0.34 0.37 0.00 0.41 0.37 0.00 0.00 175.52 177.01 3dxj n THR 1444N -4.10 0.00 -0.05 3.16 -1.04 -1.26 -3.19 114.28 107.80 3dxj n THR 1444Ca -0.02 1.16 -0.01 0.00 -2.04 0.00 0.00 64.05 63.14 3dxj n THR 1444Cb 0.41 -2.12 -0.01 0.00 -1.82 0.00 0.00 70.33 66.79 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 -1.03 -0.05 0.00 -1.42 -0.00 -1.25 -1.80 115.22 109.66 3dxj n HIS 1445Ca 0.00 0.15 0.00 0.00 -0.00 0.00 0.00 57.72 57.87 3dxj n HIS 1445Cb 0.00 -0.32 0.00 0.00 -0.00 0.00 0.00 29.99 29.67 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 -3.02 0.00 -0.19 3.57 0.31 -1.23 -1.32 118.33 116.46 3dxj n VAL 1446Ca 0.00 0.43 -0.05 0.00 -0.01 0.00 0.00 64.34 64.71 3dxj n VAL 1446Cb 0.03 -0.66 -0.05 0.00 -0.91 0.00 0.00 33.84 32.25 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 -0.61 -0.48 -0.19 7.52 4.77 -0.74 -0.38 117.00 126.88 3dxj n LEU 1447Ca 0.00 1.27 -0.04 0.00 -0.03 0.00 0.00 56.01 57.20 3dxj n LEU 1447Cb 0.00 -0.33 -0.03 0.00 -2.33 0.00 0.00 43.42 40.72 3dxj n LEU 1447CO 0.00 -0.89 0.24 0.41 -1.33 0.00 0.00 177.39 175.82 3dxj n THR 1448N -4.03 -0.31 0.38 -5.08 -1.04 -0.46 0.91 114.28 104.66 3dxj n THR 1448Ca 0.01 1.13 -0.18 0.00 -2.04 0.00 0.00 64.05 62.97 3dxj n THR 1448Cb 0.12 -1.42 -0.09 0.00 -1.82 0.00 0.00 70.33 67.12 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 -0.89 -0.68 -2.82 4.39 0.62 -2.68 114.58 112.53 3dxj h GLU 1449Ca 0.09 0.06 0.15 0.00 0.34 0.00 0.00 59.36 60.00 3dxj h GLU 1449Cb 0.21 0.20 -0.12 0.00 -0.10 0.00 0.00 28.75 28.95 3dxj h GLU 1449CO -0.45 -0.59 0.01 0.00 -1.16 0.00 0.00 179.01 176.82 3dxj h ALA 1450N -0.61 0.68 0.58 3.43 0.00 0.19 -0.90 119.26 122.64 3dxj h ALA 1450Ca -0.09 0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3dxj h ALA 1450Cb 0.71 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 3dxj h ALA 1450CO 0.15 -0.40 -0.43 0.00 0.00 0.00 0.00 179.25 178.58 3dxj h ALA 1451N 1.62 -1.03 0.08 0.00 0.00 0.55 3.36 119.26 123.84 3dxj h ALA 1451Ca 0.36 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.10 3dxj h ALA 1451Cb 0.60 0.57 -0.05 0.00 0.00 0.00 0.00 17.79 18.91 3dxj h ALA 1451CO -0.58 -1.10 -0.53 0.82 0.00 0.00 0.00 179.25 177.85 3dxj h ILE 1452N -0.98 0.01 -0.27 0.00 1.08 -1.13 1.33 117.51 117.55 3dxj h ILE 1452Ca -0.07 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.48 3dxj h ILE 1452Cb 0.82 0.01 -0.01 0.00 -3.07 0.00 0.00 36.82 34.56 3dxj h ILE 1452CO 0.03 0.00 0.26 0.00 -0.69 0.00 0.00 178.15 177.75 3dxj h ALA 1453N -0.48 1.98 -4.91 1.87 0.00 -0.94 -3.44 119.26 113.34 3dxj h ALA 1453Ca 0.00 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 54.58 3dxj h ALA 1453Cb 0.75 0.02 0.11 0.00 0.00 0.00 0.00 17.79 18.67 3dxj h ALA 1453CO -0.31 -0.40 -0.55 0.41 0.00 0.00 0.00 179.25 178.39 3dxj n GLY 1454N -1.46 -0.26 3.32 0.00 0.00 1.08 -4.63 105.19 103.24 3dxj n GLY 1454Ca 0.04 0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 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 -4.11 -0.14 -3.96 1.61 5.02 0.12 -4.36 118.16 112.34 3dxj n LYS 1455Ca -0.00 -0.01 -0.31 0.00 -2.02 0.00 0.00 58.31 55.97 3dxj n LYS 1455Cb 0.55 -1.64 -0.15 0.00 -0.02 0.00 0.00 35.03 33.77 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 -3.10 1.48 -0.68 1.97 1.02 -1.26 -2.62 119.74 116.54 3dxj s LYS 1456Ca 0.54 -1.48 -0.25 0.00 0.02 0.00 0.00 55.97 54.80 3dxj s LYS 1456Cb -0.23 -2.82 0.05 0.00 -0.52 0.00 0.00 37.83 34.31 3dxj s LYS 1456CO 0.70 -0.83 1.11 0.34 -0.92 0.00 0.00 175.35 175.75 3dxj s ASP 1457N 1.16 6.20 1.08 2.83 -1.08 -1.13 -4.92 116.67 120.80 3dxj s ASP 1457Ca 0.05 -0.63 -0.12 0.00 -0.52 0.00 0.00 52.55 51.32 3dxj s ASP 1457Cb -0.19 -2.49 0.24 0.00 -1.46 0.00 0.00 42.92 39.02 3dxj s ASP 1457CO -0.10 -1.60 1.06 -1.61 0.52 0.00 0.00 175.17 173.44 3dxj s GLU 1458N 4.84 -0.24 -0.35 4.34 8.01 -1.26 -3.95 118.70 130.09 3dxj s GLU 1458Ca 0.30 0.77 0.02 0.00 0.01 0.00 0.00 54.97 56.06 3dxj s GLU 1458Cb -0.12 -1.64 0.43 0.00 -4.31 0.00 0.00 34.13 28.49 3dxj s GLU 1458CO 0.14 -3.25 1.74 1.28 0.01 0.00 0.00 175.26 175.18 3dxj n LEU 1459N -4.57 5.96 -0.01 1.80 4.77 -1.25 -4.62 117.00 119.07 3dxj n LEU 1459Ca 0.04 -3.16 -0.04 0.00 -0.03 0.00 0.00 56.01 52.83 3dxj n LEU 1459Cb 0.55 -0.81 -0.03 0.00 -2.33 0.00 0.00 43.42 40.81 3dxj n LEU 1459CO 0.57 0.99 0.50 0.16 -1.33 0.00 0.00 177.39 178.28 3dxj h ILE 1460N 0.77 0.00 -2.84 -0.08 3.07 -1.93 -3.43 117.51 113.07 3dxj h ILE 1460Ca 0.44 0.00 -0.32 0.00 1.55 0.00 0.00 64.86 66.54 3dxj h ILE 1460Cb 1.98 0.00 0.17 0.00 -0.27 0.00 0.00 36.82 38.70 3dxj h ILE 1460CO 0.86 0.00 -0.02 0.61 -1.05 0.00 0.00 178.15 178.55 3dxj n GLY 1461N -1.11 -3.32 0.04 0.16 0.00 -1.26 -4.79 105.19 94.92 3dxj n GLY 1461Ca -0.01 -1.39 -0.04 0.00 0.00 0.00 0.00 46.02 44.58 3dxj n GLY 1461CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3dxj n LEU 1462N 0.00 0.99 -0.26 0.99 4.77 -1.26 -3.58 117.00 118.65 3dxj n LEU 1462Ca 0.12 0.32 -0.01 0.00 -0.03 0.00 0.00 56.01 56.41 3dxj n LEU 1462Cb 0.50 -0.66 0.02 0.00 -2.33 0.00 0.00 43.42 40.94 3dxj n LEU 1462CO 0.34 -0.44 0.38 1.17 -1.33 0.00 0.00 177.39 177.51 3dxj n LYS 1463N -3.52 -0.17 0.05 3.23 4.81 -1.26 0.84 118.16 122.15 3dxj n LYS 1463Ca -0.05 1.03 -0.03 0.00 -0.87 0.00 0.00 58.31 58.39 3dxj n LYS 1463Cb 0.20 -1.52 -0.01 0.00 0.02 0.00 0.00 35.03 33.72 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 -0.15 -0.69 1.64 4.11 -1.96 0.12 114.58 117.66 3dxj h GLU 1464Ca 0.22 0.01 0.23 0.00 0.07 0.00 0.00 59.36 59.89 3dxj h GLU 1464Cb 0.39 0.03 -0.13 0.00 0.50 0.00 0.00 28.75 29.54 3dxj h GLU 1464CO -0.66 -0.10 0.17 -1.71 0.07 0.00 0.00 179.01 176.78 3dxj n ASN 1465N -2.59 0.06 0.00 3.06 5.15 0.16 -1.88 115.26 119.22 3dxj n ASN 1465Ca -0.02 1.16 0.00 0.00 -0.60 0.00 0.00 54.58 55.12 3dxj n ASN 1465Cb 0.07 -0.48 0.00 0.00 -0.53 0.00 0.00 39.78 38.83 3dxj n ASN 1465CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 3dxj n VAL 1466N -4.76 0.00 -0.27 3.44 0.31 0.25 -1.57 118.33 115.72 3dxj n VAL 1466Ca 0.20 0.57 0.22 0.00 -0.01 0.00 0.00 64.34 65.32 3dxj n VAL 1466Cb 0.68 -1.21 0.33 0.00 -0.91 0.00 0.00 33.84 32.74 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 -1.15 0.00 0.00 2.52 3.06 0.39 0.14 119.36 124.32 3dxj n ILE 1467Ca 0.00 0.65 0.00 0.00 -2.50 0.00 0.00 62.75 60.90 3dxj n ILE 1467Cb 0.00 -1.11 0.00 0.00 0.54 0.00 0.00 39.64 39.07 3dxj n ILE 1467CO 0.00 0.00 0.00 -0.11 -2.50 0.00 0.00 176.55 173.94 3dxj n LEU 1468N -2.70 0.94 0.00 9.51 0.00 -0.79 -4.94 117.00 119.02 3dxj n LEU 1468Ca 0.18 0.29 0.00 0.00 0.00 0.00 0.00 56.01 56.48 3dxj n LEU 1468Cb 0.87 0.00 0.00 0.00 0.00 0.00 0.00 43.42 44.29 3dxj n LEU 1468CO 0.18 0.00 0.00 0.61 0.00 0.00 0.00 177.39 178.18 3dxj n GLY 1469N 0.60 0.00 3.89 -3.96 0.00 0.37 -5.14 105.19 100.95 3dxj n GLY 1469Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 3.65 -0.03 1.61 3.52 -0.61 -5.03 118.95 122.06 3dxj s ARG 1470Ca 0.00 -0.02 -0.30 0.00 -0.13 0.00 0.00 55.73 55.28 3dxj s ARG 1470Cb 0.00 -2.88 -0.07 0.00 -1.56 0.00 0.00 34.95 30.44 3dxj s ARG 1470CO 0.00 0.49 1.93 -1.17 -0.81 0.00 0.00 175.30 175.74 3dxj s LEU 1471N -2.47 4.24 0.18 -0.88 2.96 -1.26 -4.13 118.68 117.32 3dxj s LEU 1471Ca 0.39 2.43 -0.11 0.00 -0.22 0.00 0.00 54.13 56.62 3dxj s LEU 1471Cb -0.12 -3.53 -0.08 0.00 0.50 0.00 0.00 46.19 42.96 3dxj s LEU 1471CO 0.23 -1.18 0.08 -0.38 -1.32 0.00 0.00 176.35 173.78 3dxj n ILE 1472N 5.91 0.42 0.67 6.68 2.08 -1.26 -4.83 119.36 129.04 3dxj n ILE 1472Ca 0.21 -0.24 0.08 0.00 0.56 0.00 0.00 62.75 63.36 3dxj n ILE 1472Cb 0.42 0.00 0.38 0.00 -0.75 0.00 0.00 39.64 39.69 3dxj n ILE 1472CO 0.00 0.00 0.00 -2.65 0.56 0.00 0.00 176.55 174.46 3dxj n PRO 1473N 0.61 0.14 -0.62 0.38 -0.02 -1.26 -4.44 135.00 129.80 3dxj n PRO 1473Ca 0.06 0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 3dxj n PRO 1473Cb 0.18 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 3dxj n PRO 1473CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dxj n ALA 1474N -1.37 0.00 -0.66 3.55 0.00 -1.25 -4.36 120.51 116.42 3dxj n ALA 1474Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3dxj n ALA 1474Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.60 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 1.67 2.69 0.59 0.00 0.00 -0.81 -0.35 105.19 108.98 3dxj n GLY 1475Ca 0.00 -0.26 0.12 0.00 0.00 0.00 0.00 46.02 45.88 3dxj n GLY 1475CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3dxj n THR 1476N 0.00 0.15 -1.19 2.61 -2.24 -1.26 -3.49 114.28 108.86 3dxj n THR 1476Ca 0.00 -0.35 -0.18 0.00 -2.27 0.00 0.00 64.05 61.25 3dxj n THR 1476Cb 0.00 0.51 0.22 0.00 -2.10 0.00 0.00 70.33 68.96 3dxj n THR 1476CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dxj n GLY 1477N 1.18 4.29 3.82 3.38 0.00 0.52 -4.16 105.19 114.22 3dxj n GLY 1477Ca 0.17 -1.07 -0.36 0.00 0.00 0.00 0.00 46.02 44.76 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 -1.30 6.23 0.28 1.61 0.15 -1.21 -3.77 113.70 115.68 3dxj s SER 1478Ca 0.56 0.37 0.01 0.00 0.70 0.00 0.00 55.95 57.59 3dxj s SER 1478Cb 0.46 -2.03 0.57 0.00 -1.71 0.00 0.00 66.02 63.31 3dxj s SER 1478CO 0.11 0.34 1.80 0.44 1.20 0.00 0.00 173.24 177.13 3dxj h ASP 1479N 5.50 0.78 0.00 5.45 5.19 -1.92 1.21 116.42 132.62 3dxj h ASP 1479Ca -0.50 0.07 0.00 0.00 -0.62 0.00 0.00 57.03 55.97 3dxj h ASP 1479Cb 1.20 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.64 3dxj h ASP 1479CO 0.63 0.37 0.07 0.15 -3.12 0.00 0.00 179.24 177.34 3dxj h PHE 1480N 0.84 0.00 0.00 4.55 3.57 -1.95 -3.33 116.94 120.62 3dxj h PHE 1480Ca 0.49 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.99 3dxj h PHE 1480Cb 0.59 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.33 3dxj h PHE 1480CO -0.03 0.00 0.00 0.28 -2.23 0.00 0.00 178.31 176.33 3dxj n VAL 1481N -2.25 0.50 0.00 1.41 0.31 0.17 -4.90 118.33 113.57 3dxj n VAL 1481Ca -0.01 0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.48 3dxj n VAL 1481Cb 0.10 -1.17 0.00 0.00 -0.91 0.00 0.00 33.84 31.86 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 -2.94 0.00 0.00 5.55 1.74 0.36 0.17 116.66 121.54 3dxj n ARG 1482Ca 0.00 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.09 3dxj n ARG 1482Cb 0.00 0.00 0.08 0.00 -1.02 0.00 0.00 32.46 31.52 3dxj n ARG 1482CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3dxj n PHE 1483N -1.26 0.00 -2.02 -1.55 3.01 -1.26 -4.77 117.46 109.61 3dxj n PHE 1483Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.04 3dxj n PHE 1483Cb 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.44 3dxj n PHE 1483CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 3dxj s THR 1484N -2.00 3.31 0.37 4.37 2.01 0.45 -4.99 115.64 119.16 3dxj s THR 1484Ca 0.04 0.68 0.07 0.00 0.31 0.00 0.00 61.69 62.80 3dxj s THR 1484Cb 0.02 -3.44 -0.02 0.00 0.01 0.00 0.00 72.50 69.07 3dxj s THR 1484CO 0.03 -0.01 0.35 -1.10 -0.69 0.00 0.00 174.62 173.19 3dxj s GLN 1485N 2.84 2.69 -0.19 4.92 -0.21 -1.26 -5.13 119.66 123.31 3dxj s GLN 1485Ca 0.71 -1.36 -0.15 0.00 0.02 0.00 0.00 55.36 54.59 3dxj s GLN 1485Cb -0.36 -2.48 0.06 0.00 1.00 0.00 0.00 33.01 31.22 3dxj s GLN 1485CO 0.30 -0.03 0.50 0.08 -2.12 0.00 0.00 175.29 174.03 3dxj s VAL 1486N -2.36 -0.01 0.05 1.09 1.01 -1.26 -5.17 120.40 113.76 3dxj s VAL 1486Ca 0.44 0.03 -0.09 0.00 0.00 0.00 0.00 61.98 62.37 3dxj s VAL 1486Cb -0.05 -0.71 0.00 0.00 0.00 0.00 0.00 36.38 35.61 3dxj s VAL 1486CO 0.28 0.01 0.18 0.68 0.00 0.00 0.00 175.10 176.25 3dxj s VAL 1487N 0.81 0.12 0.20 2.92 -7.23 -1.26 -5.14 120.40 110.81 3dxj s VAL 1487Ca -0.04 -0.99 -0.30 0.00 -1.81 0.00 0.00 61.98 58.84 3dxj s VAL 1487Cb -0.05 -1.02 -0.08 0.00 0.56 0.00 0.00 36.38 35.79 3dxj s VAL 1487CO -0.06 -0.55 1.06 1.51 -0.31 0.00 0.00 175.10 176.75 3dxj s ASP 1488N -2.28 7.35 0.29 4.85 1.47 -1.26 -4.88 116.67 122.22 3dxj s ASP 1488Ca -0.03 2.07 0.16 0.00 1.18 0.00 0.00 52.55 55.93 3dxj s ASP 1488Cb 0.00 -2.61 0.87 0.00 -0.34 0.00 0.00 42.92 40.84 3dxj s ASP 1488CO -0.06 -0.13 1.44 0.00 0.68 0.00 0.00 175.17 177.10 3dxj n GLN 1489N 2.05 0.10 -0.02 2.11 6.02 -1.26 0.03 117.38 126.42 3dxj n GLN 1489Ca 0.01 0.59 -0.13 0.00 -0.01 0.00 0.00 57.00 57.46 3dxj n GLN 1489Cb 0.46 -1.97 -0.10 0.00 1.02 0.00 0.00 30.24 29.66 3dxj n GLN 1489CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 3dxj h LYS 1490N 0.00 0.02 -0.00 -1.09 1.57 -2.03 -2.68 116.57 112.36 3dxj h LYS 1490Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3dxj h LYS 1490Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 3dxj h LYS 1490CO 0.00 0.51 -0.06 2.41 -0.57 0.00 0.00 179.45 181.74 3dxj n THR 1491N -4.84 0.00 0.30 -0.16 -1.04 0.10 -3.11 114.28 105.54 3dxj n THR 1491Ca -0.08 -0.03 0.02 0.00 -2.04 0.00 0.00 64.05 61.92 3dxj n THR 1491Cb 0.26 -0.30 0.13 0.00 -1.82 0.00 0.00 70.33 68.60 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 -1.14 0.00 -0.00 -4.42 4.77 0.46 0.30 117.00 116.96 3dxj n LEU 1492Ca 0.14 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.22 3dxj n LEU 1492Cb 0.26 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.23 3dxj n LEU 1492CO 0.24 0.00 -0.11 0.29 -1.33 0.00 0.00 177.39 176.48 3dxj n LYS 1493N -0.95 0.06 0.13 3.23 4.76 -1.18 -3.88 118.16 120.33 3dxj n LYS 1493Ca 0.03 -0.02 0.12 0.00 -2.87 0.00 0.00 58.31 55.57 3dxj n LYS 1493Cb 0.01 -1.50 0.48 0.00 -1.84 0.00 0.00 35.03 32.19 3dxj n LYS 1493CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3dxj n ALA 1494N -1.57 1.68 0.03 7.82 0.00 0.88 -1.44 120.51 127.91 3dxj n ALA 1494Ca 0.03 0.08 -0.11 0.00 0.00 0.00 0.00 53.44 53.44 3dxj n ALA 1494Cb 0.35 -1.39 -0.06 0.00 0.00 0.00 0.00 19.45 18.36 3dxj n ALA 1494CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3dxj h ILE 1495N 0.00 0.89 0.00 0.00 2.10 -1.67 -1.88 117.51 116.95 3dxj h ILE 1495Ca 0.00 0.00 -0.04 0.00 1.08 0.00 0.00 64.86 65.90 3dxj h ILE 1495Cb 0.38 0.89 -0.01 0.00 -1.09 0.00 0.00 36.82 36.99 3dxj h ILE 1495CO 0.00 0.00 -0.17 -0.08 -1.08 0.00 0.00 178.15 176.82 3dxj h GLU 1496N -0.05 0.00 0.03 2.19 4.57 -1.51 -1.94 114.58 117.87 3dxj h GLU 1496Ca 0.03 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 3dxj h GLU 1496Cb 0.09 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.66 3dxj h GLU 1496CO -0.07 0.17 -0.17 0.93 -1.18 0.00 0.00 179.01 178.70 3dxj h GLU 1497N 0.00 -0.22 -0.34 1.92 4.39 -1.14 0.14 114.58 119.33 3dxj h GLU 1497Ca -0.00 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.71 3dxj h GLU 1497Cb 0.38 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 3dxj h GLU 1497CO 0.02 -0.15 0.00 0.00 -1.16 0.00 0.00 179.01 177.73 3dxj n ALA 1498N -2.61 2.45 -0.04 3.43 0.00 -1.24 -3.90 120.51 118.59 3dxj n ALA 1498Ca -0.03 -0.60 -0.01 0.00 0.00 0.00 0.00 53.44 52.80 3dxj n ALA 1498Cb 0.13 -0.98 -0.00 0.00 0.00 0.00 0.00 19.45 18.60 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 2.03 0.00 -0.95 0.00 1.12 -0.34 -3.33 114.38 112.91 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 0.46 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.42 3dxj h ARG 1499CO 0.00 0.00 0.00 1.63 -3.11 0.00 0.00 179.97 178.49 3dxj n LYS 1500N -4.04 0.96 -0.96 0.20 5.02 -0.11 -4.45 118.16 114.79 3dxj n LYS 1500Ca -0.02 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.13 3dxj n LYS 1500Cb 0.06 -1.48 -0.14 0.00 -0.02 0.00 0.00 35.03 33.45 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 0.02 2.04 0.00 1.97 2.13 -1.25 -2.33 120.64 123.22 3dxj n GLU 1501Ca 0.00 -1.07 0.00 0.00 0.66 0.00 0.00 57.16 56.75 3dxj n GLU 1501Cb 0.24 -2.06 0.00 0.00 0.27 0.00 0.00 31.44 29.89 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 2.69 0.00 -0.18 4.31 0.00 -1.26 -4.94 120.51 121.13 3dxj n ALA 1502Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.88 3dxj n ALA 1502Cb 0.77 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.22 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 0.00 0.99 -1.53 0.00 0.31 -0.98 -4.86 118.33 112.25 3dxj n VAL 1503Ca 0.00 -0.23 -0.20 0.00 -0.01 0.00 0.00 64.34 63.89 3dxj n VAL 1503Cb 0.00 -1.21 -0.13 0.00 -0.91 0.00 0.00 33.84 31.60 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 1.63 0.38 -0.35 5.55 -0.58 -1.26 -5.20 120.64 120.81 3dxj n GLU 1504Ca 0.00 -0.42 0.00 0.00 -0.42 0.00 0.00 57.16 56.32 3dxj n GLU 1504Cb 0.26 -2.62 0.00 0.00 -0.57 0.00 0.00 31.44 28.51 3dxj n GLU 1504CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65