#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dxj s GLU 2 N 0.00 2.80 -0.07 3.17 0.41 -1.26 -4.95 118.70 118.80 3dxj s GLU 2 Ca 0.00 -0.52 -0.15 0.00 -0.41 0.00 0.00 54.97 53.89 3dxj s GLU 2 Cb 0.00 -2.63 -0.05 0.00 -1.78 0.00 0.00 34.13 29.67 3dxj s GLU 2 CO 0.00 0.67 0.39 0.96 -0.49 0.00 0.00 175.26 176.79 3dxj s ILE 3 N -0.82 5.15 -0.22 -1.63 -4.36 -1.26 -2.36 121.20 115.70 3dxj s ILE 3 Ca 0.12 0.79 0.01 0.00 -0.26 0.00 0.00 60.65 61.31 3dxj s ILE 3 Cb -0.11 -3.71 0.03 0.00 1.25 0.00 0.00 42.46 39.92 3dxj s ILE 3 CO 0.02 0.47 -0.15 -0.75 0.24 0.00 0.00 174.94 174.77 3dxj s LYS 4 N -0.25 2.73 0.45 0.37 2.36 -0.69 -5.00 119.74 119.71 3dxj s LYS 4 Ca 0.22 -1.02 -0.05 0.00 -2.55 0.00 0.00 55.97 52.57 3dxj s LYS 4 Cb -0.15 -2.74 -0.04 0.00 -1.05 0.00 0.00 37.83 33.84 3dxj s LYS 4 CO 0.10 -0.36 0.75 1.03 1.55 0.00 0.00 175.35 178.43 3dxj s ARG 5 N 1.24 3.57 0.19 4.03 0.52 -1.26 -0.28 118.95 126.96 3dxj s ARG 5 Ca -0.00 0.18 0.02 0.00 -0.52 0.00 0.00 55.73 55.40 3dxj s ARG 5 Cb -0.16 -2.41 -0.01 0.00 0.52 0.00 0.00 34.95 32.89 3dxj s ARG 5 CO -0.09 -0.14 0.06 1.19 0.02 0.00 0.00 175.30 176.34 3dxj n PHE 6 N -2.05 0.13 -1.34 -0.53 3.01 -0.03 -4.86 117.46 111.79 3dxj n PHE 6 Ca 0.00 -1.19 0.15 0.00 1.01 0.00 0.00 57.45 57.43 3dxj n PHE 6 Cb 0.55 -0.03 -0.08 0.00 -0.01 0.00 0.00 39.48 39.91 3dxj n PHE 6 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3dxj n GLY 7 N 1.11 -2.85 2.27 1.37 0.00 -1.26 -4.62 105.19 101.21 3dxj n GLY 7 Ca -0.04 -0.88 -0.23 0.00 0.00 0.00 0.00 46.02 44.87 3dxj n GLY 7 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3dxj n ARG 8 N -4.18 0.63 -4.55 1.61 3.00 -1.26 -4.90 116.66 107.00 3dxj n ARG 8 Ca -0.08 -3.10 -0.33 0.00 -0.00 0.00 0.00 57.85 54.34 3dxj n ARG 8 Cb 0.61 -1.31 -0.13 0.00 0.00 0.00 0.00 32.46 31.63 3dxj n ARG 8 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 3dxj s ILE 9 N -0.82 3.41 -0.92 5.15 1.01 -1.26 -5.04 121.20 122.72 3dxj s ILE 9 Ca 0.34 -0.53 -0.21 0.00 0.00 0.00 0.00 60.65 60.26 3dxj s ILE 9 Cb 0.15 -2.47 0.09 0.00 0.01 0.00 0.00 42.46 40.24 3dxj s ILE 9 CO -0.13 0.50 1.22 -0.60 0.00 0.00 0.00 174.94 175.93 3dxj s ARG 10 N 0.46 3.52 -0.48 2.79 3.52 -1.26 -4.94 118.95 122.56 3dxj s ARG 10 Ca -0.07 -1.38 -0.27 0.00 -0.13 0.00 0.00 55.73 53.88 3dxj s ARG 10 Cb -0.15 -4.95 -0.05 0.00 -1.56 0.00 0.00 34.95 28.24 3dxj s ARG 10 CO 0.04 -1.94 2.22 -1.21 -0.81 0.00 0.00 175.30 173.60 3dxj s GLU 11 N 3.71 2.42 0.24 5.12 2.02 -1.26 -4.78 118.70 126.17 3dxj s GLU 11 Ca 0.36 1.29 -0.04 0.00 0.02 0.00 0.00 54.97 56.59 3dxj s GLU 11 Cb -0.05 -4.49 0.42 0.00 0.10 0.00 0.00 34.13 30.11 3dxj s GLU 11 CO -0.06 -2.93 1.77 -0.39 0.02 0.00 0.00 175.26 173.66 3dxj h VAL 12 N 7.38 0.78 -4.04 2.63 -1.51 -1.92 -3.42 116.25 116.16 3dxj h VAL 12 Ca -0.27 -0.20 -0.41 0.00 -1.23 0.00 0.00 66.70 64.59 3dxj h VAL 12 Cb 1.23 0.13 -0.26 0.00 -2.13 0.00 0.00 31.29 30.27 3dxj h VAL 12 CO 1.14 0.11 -0.78 0.27 -1.23 0.00 0.00 177.57 177.08 3dxj s ILE 13 N -6.02 0.88 1.27 7.19 -0.00 -1.26 -5.15 121.20 118.11 3dxj s ILE 13 Ca -0.12 -0.74 -0.20 0.00 -0.00 0.00 0.00 60.65 59.58 3dxj s ILE 13 Cb 0.20 -0.79 0.31 0.00 -0.00 0.00 0.00 42.46 42.18 3dxj s ILE 13 CO 0.77 0.05 1.06 -2.16 -0.00 0.00 0.00 174.94 174.67 3dxj s PRO 14 N -0.77 -1.74 0.69 0.37 0.04 -1.26 -4.99 135.00 127.34 3dxj s PRO 14 Ca 0.01 -0.04 -0.13 0.00 0.04 0.00 0.00 61.00 60.88 3dxj s PRO 14 Cb -0.06 -1.53 0.02 0.00 0.04 0.00 0.00 34.50 32.96 3dxj s PRO 14 CO 0.00 -4.06 1.10 -0.51 0.04 0.00 0.00 177.00 173.57 3dxj s LEU 15 N -7.20 3.27 0.67 -3.56 1.02 -1.26 -5.05 118.68 106.57 3dxj s LEU 15 Ca 0.71 1.92 -0.08 0.00 0.02 0.00 0.00 54.13 56.69 3dxj s LEU 15 Cb -0.10 -4.54 0.03 0.00 0.02 0.00 0.00 46.19 41.60 3dxj s LEU 15 CO 0.56 -1.73 1.01 -2.16 0.02 0.00 0.00 176.35 174.06 3dxj s PRO 16 N -4.39 2.64 0.30 1.29 0.04 -1.26 -5.00 135.00 128.61 3dxj s PRO 16 Ca 0.64 0.07 -0.30 0.00 0.04 0.00 0.00 61.00 61.46 3dxj s PRO 16 Cb -0.19 -2.15 -0.12 0.00 0.04 0.00 0.00 34.50 32.09 3dxj s PRO 16 CO 0.46 -1.00 1.57 -2.30 0.04 0.00 0.00 177.00 175.77 3dxj n PRO 17 N -2.85 2.66 0.00 0.56 -0.02 -1.26 -4.95 135.00 129.15 3dxj n PRO 17 Ca 0.06 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.49 3dxj n PRO 17 Cb 0.58 -2.71 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 3dxj n PRO 17 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3dxj n LEU 18 N 1.93 1.70 0.09 2.45 4.77 -1.26 -3.79 117.00 122.89 3dxj n LEU 18 Ca 0.08 0.15 0.03 0.00 -0.03 0.00 0.00 56.01 56.23 3dxj n LEU 18 Cb 0.37 -0.17 0.15 0.00 -2.33 0.00 0.00 43.42 41.43 3dxj n LEU 18 CO 0.64 -0.17 0.66 0.35 -1.33 0.00 0.00 177.39 177.54 3dxj n THR 19 N -1.13 0.65 -0.11 -5.08 -2.24 -1.26 -2.82 114.28 102.29 3dxj n THR 19 Ca 0.00 0.64 0.05 0.00 -2.27 0.00 0.00 64.05 62.46 3dxj n THR 19 Cb 0.00 -1.64 0.09 0.00 -2.10 0.00 0.00 70.33 66.69 3dxj n THR 19 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 3dxj n GLU 20 N -1.64 -0.02 0.00 -0.78 2.13 -1.25 -0.92 120.64 118.16 3dxj n GLU 20 Ca -0.00 0.47 0.00 0.00 0.66 0.00 0.00 57.16 58.28 3dxj n GLU 20 Cb 0.36 -0.74 0.00 0.00 0.27 0.00 0.00 31.44 31.33 3dxj n GLU 20 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 3dxj n ILE 21 N -4.23 0.00 -0.33 6.31 -0.00 -1.13 -0.97 119.36 119.01 3dxj n ILE 21 Ca 0.07 0.96 -0.02 0.00 -0.00 0.00 0.00 62.75 63.77 3dxj n ILE 21 Cb 0.24 -1.71 0.02 0.00 -0.00 0.00 0.00 39.64 38.19 3dxj n ILE 21 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3dxj n GLN 22 N -0.69 -0.21 0.07 0.38 1.13 -0.10 -0.75 117.38 117.21 3dxj n GLN 22 Ca 0.00 1.29 -0.12 0.00 -1.94 0.00 0.00 57.00 56.23 3dxj n GLN 22 Cb 0.00 -1.92 -0.05 0.00 0.11 0.00 0.00 30.24 28.38 3dxj n GLN 22 CO 0.00 0.00 0.00 -0.39 -1.44 0.00 0.00 177.06 175.23 3dxj h VAL 23 N 0.00 0.30 -0.06 5.09 -1.51 -1.29 -2.36 116.25 116.42 3dxj h VAL 23 Ca 0.28 0.00 -0.14 0.00 -1.23 0.00 0.00 66.70 65.60 3dxj h VAL 23 Cb 0.49 0.30 0.01 0.00 -2.13 0.00 0.00 31.29 29.96 3dxj h VAL 23 CO -0.83 0.00 -0.53 -0.33 -1.23 0.00 0.00 177.57 174.65 3dxj h GLU 24 N -0.49 0.46 -0.81 5.19 4.39 0.08 0.25 114.58 123.65 3dxj h GLU 24 Ca 0.06 -0.42 0.19 0.00 0.34 0.00 0.00 59.36 59.53 3dxj h GLU 24 Cb 0.57 0.10 -0.14 0.00 -0.10 0.00 0.00 28.75 29.17 3dxj h GLU 24 CO -0.26 1.06 0.04 1.03 -1.16 0.00 0.00 179.01 179.72 3dxj h SER 25 N 0.00 -0.32 0.17 1.42 0.87 -0.94 2.19 113.55 116.94 3dxj h SER 25 Ca -0.05 0.21 -0.01 0.00 -1.23 0.00 0.00 61.79 60.71 3dxj h SER 25 Cb 1.20 0.36 0.00 0.00 -0.44 0.00 0.00 62.40 63.52 3dxj h SER 25 CO 0.11 -0.20 -0.08 0.22 -0.53 0.00 0.00 176.83 176.34 3dxj h TYR 26 N 0.11 -0.22 -0.72 2.24 3.20 -1.38 -2.88 116.97 117.32 3dxj h TYR 26 Ca 0.46 -0.01 0.16 0.00 3.14 0.00 0.00 58.73 62.48 3dxj h TYR 26 Cb 0.85 0.07 -0.12 0.00 1.54 0.00 0.00 36.73 39.07 3dxj h TYR 26 CO -0.42 0.19 0.05 -0.09 -1.64 0.00 0.00 178.16 176.26 3dxj h ARG 27 N -0.72 0.14 -0.80 1.82 2.43 0.27 0.66 114.38 118.18 3dxj h ARG 27 Ca -0.02 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3dxj h ARG 27 Cb 0.50 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 3dxj h ARG 27 CO 0.04 0.10 0.00 0.54 -1.51 0.00 0.00 179.97 179.13 3dxj n ARG 28 N -5.28 1.13 0.00 0.20 1.74 0.71 -3.25 116.66 111.91 3dxj n ARG 28 Ca 0.13 -0.12 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 3dxj n ARG 28 Cb 0.45 -1.43 0.00 0.00 -1.02 0.00 0.00 32.46 30.46 3dxj n ARG 28 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3dxj n ALA 29 N -0.06 1.54 -0.08 7.54 0.00 0.23 -4.55 120.51 125.13 3dxj n ALA 29 Ca 0.01 -0.07 -0.15 0.00 0.00 0.00 0.00 53.44 53.23 3dxj n ALA 29 Cb 0.24 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.63 3dxj n ALA 29 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3dxj n LEU 30 N -0.60 1.50 -2.54 0.00 4.77 -1.04 -2.66 117.00 116.43 3dxj n LEU 30 Ca 0.00 0.13 -0.14 0.00 -0.03 0.00 0.00 56.01 55.97 3dxj n LEU 30 Cb 0.01 -0.46 0.05 0.00 -2.33 0.00 0.00 43.42 40.69 3dxj n LEU 30 CO 0.00 0.41 0.13 1.67 -1.33 0.00 0.00 177.39 178.27 3dxj n GLN 31 N -3.52 -4.84 0.00 3.23 7.27 -1.23 -4.81 117.38 113.48 3dxj n GLN 31 Ca -0.29 0.54 0.00 0.00 0.07 0.00 0.00 57.00 57.32 3dxj n GLN 31 Cb 0.73 -4.69 0.00 0.00 2.41 0.00 0.00 30.24 28.68 3dxj n GLN 31 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3dxj n ALA 32 N -3.70 0.00 -0.33 1.69 0.00 -1.26 -4.27 120.51 112.63 3dxj n ALA 32 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3dxj n ALA 32 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 3dxj n ALA 32 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3dxj n ASP 33 N -0.03 0.00 0.10 0.00 -0.08 -1.26 -2.56 116.55 112.73 3dxj n ASP 33 Ca 0.00 0.08 0.12 0.00 -1.51 0.00 0.00 54.79 53.49 3dxj n ASP 33 Cb 0.00 0.00 0.28 0.00 2.34 0.00 0.00 41.12 43.74 3dxj n ASP 33 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 3dxj h VAL 34 N 0.00 0.00 -2.86 5.18 2.07 -2.02 -3.46 116.25 115.16 3dxj h VAL 34 Ca 0.00 -0.56 -0.57 0.00 0.82 0.00 0.00 66.70 66.39 3dxj h VAL 34 Cb 0.00 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 3dxj h VAL 34 CO 0.00 0.00 1.12 -2.84 0.02 0.00 0.00 177.57 175.87 3dxj s PRO 35 N -3.15 3.73 -0.09 1.57 0.02 -1.06 -4.91 135.00 131.11 3dxj s PRO 35 Ca 0.08 1.50 0.02 0.00 0.02 0.00 0.00 61.00 62.62 3dxj s PRO 35 Cb 0.12 -4.03 0.20 0.00 0.02 0.00 0.00 34.50 30.80 3dxj s PRO 35 CO 0.66 -1.37 1.04 -0.35 -0.33 0.00 0.00 177.00 176.65 3dxj n PRO 36 N 7.76 1.67 -3.46 5.54 -0.04 -1.26 -4.70 135.00 140.51 3dxj n PRO 36 Ca 0.19 -0.81 -0.25 0.00 -0.04 0.00 0.00 63.50 62.58 3dxj n PRO 36 Cb 0.46 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.44 3dxj n PRO 36 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3dxj n GLU 37 N 0.12 -4.91 0.00 0.54 1.02 -1.26 -4.92 120.64 111.23 3dxj n GLU 37 Ca 0.12 0.67 0.00 0.00 -0.02 0.00 0.00 57.16 57.93 3dxj n GLU 37 Cb 0.66 -5.51 0.00 0.00 -0.02 0.00 0.00 31.44 26.57 3dxj n GLU 37 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 3dxj n LYS 38 N -4.23 0.00 -3.04 3.49 2.85 -1.26 -4.87 118.16 111.09 3dxj n LYS 38 Ca -0.02 0.00 -0.28 0.00 -1.05 0.00 0.00 58.31 56.96 3dxj n LYS 38 Cb 0.56 -0.12 -0.05 0.00 -0.65 0.00 0.00 35.03 34.78 3dxj n LYS 38 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 3dxj n ARG 39 N -0.33 3.17 0.00 -1.58 0.63 -1.26 -5.03 116.66 112.26 3dxj n ARG 39 Ca 0.00 -4.82 0.00 0.00 -0.92 0.00 0.00 57.85 52.11 3dxj n ARG 39 Cb 0.00 -2.25 0.00 0.00 0.45 0.00 0.00 32.46 30.66 3dxj n ARG 39 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 3dxj n GLU 40 N 0.01 0.00 0.00 -0.14 4.07 -1.26 -5.01 120.64 118.32 3dxj n GLU 40 Ca 0.31 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.41 3dxj n GLU 40 Cb 0.39 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.77 3dxj n GLU 40 CO 0.00 0.00 0.00 0.27 -0.06 0.00 0.00 177.13 177.34 3dxj n ASN 41 N 0.00 0.12 0.00 4.31 2.04 -1.26 -4.85 115.26 115.61 3dxj n ASN 41 Ca 0.00 -0.84 0.00 0.00 -0.44 0.00 0.00 54.58 53.30 3dxj n ASN 41 Cb 0.00 0.02 0.00 0.00 -2.53 0.00 0.00 39.78 37.27 3dxj n ASN 41 CO 0.00 0.00 0.00 0.55 -0.44 0.00 0.00 177.26 177.37 3dxj n VAL 42 N -0.02 0.00 0.00 3.53 3.14 -1.26 0.16 118.33 123.88 3dxj n VAL 42 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 3dxj n VAL 42 Cb 0.18 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.96 3dxj n VAL 42 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3dxj n GLY 43 N -0.70 0.66 0.17 7.55 0.00 -1.26 -4.76 105.19 106.84 3dxj n GLY 43 Ca 0.00 -0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 3dxj n GLY 43 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3dxj h ILE 44 N 0.00 1.30 0.00 -0.61 2.04 -1.61 0.50 117.51 119.13 3dxj h ILE 44 Ca 0.00 -1.16 -0.01 0.00 1.00 0.00 0.00 64.86 64.69 3dxj h ILE 44 Cb 0.00 1.54 -0.00 0.00 -0.74 0.00 0.00 36.82 37.62 3dxj h ILE 44 CO 0.00 0.36 -0.04 -0.61 0.00 0.00 0.00 178.15 177.86 3dxj h GLN 45 N 0.23 0.00 0.15 2.37 4.15 -1.83 0.56 115.11 120.74 3dxj h GLN 45 Ca 0.06 0.00 -0.30 0.00 0.77 0.00 0.00 58.65 59.18 3dxj h GLN 45 Cb 0.60 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.30 3dxj h GLN 45 CO 0.03 0.04 -1.37 0.00 -1.93 0.00 0.00 178.83 175.60 3dxj h ALA 46 N 1.96 0.08 -0.11 3.38 0.00 0.18 0.56 119.26 125.32 3dxj h ALA 46 Ca -0.00 -0.94 0.03 0.00 0.00 0.00 0.00 54.91 54.00 3dxj h ALA 46 Cb 0.13 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3dxj h ALA 46 CO 0.01 0.96 0.08 0.00 0.00 0.00 0.00 179.25 180.29 3dxj h ALA 47 N 0.46 2.02 0.14 0.00 0.00 0.20 -2.28 119.26 119.80 3dxj h ALA 47 Ca -0.19 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3dxj h ALA 47 Cb 2.03 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.83 3dxj h ALA 47 CO 0.21 -0.14 -0.07 0.74 0.00 0.00 0.00 179.25 180.00 3dxj h PHE 48 N 0.00 -0.17 0.00 0.00 -1.00 0.26 -3.06 116.94 112.98 3dxj h PHE 48 Ca 0.05 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.83 3dxj h PHE 48 Cb 0.21 0.06 0.00 0.00 3.61 0.00 0.00 35.95 39.83 3dxj h PHE 48 CO 0.00 0.06 0.00 0.54 -1.61 0.00 0.00 178.31 177.30 3dxj n ARG 49 N -4.88 0.00 -0.01 1.51 1.74 0.16 -1.20 116.66 113.98 3dxj n ARG 49 Ca -0.04 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.03 3dxj n ARG 49 Cb 0.15 -1.11 -0.01 0.00 -1.02 0.00 0.00 32.46 30.48 3dxj n ARG 49 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 3dxj n GLU 50 N -0.59 1.15 0.00 5.56 0.28 -0.94 -4.40 120.64 121.70 3dxj n GLU 50 Ca 0.00 0.00 0.14 0.00 -0.16 0.00 0.00 57.16 57.14 3dxj n GLU 50 Cb 0.00 -1.02 0.82 0.00 1.43 0.00 0.00 31.44 32.67 3dxj n GLU 50 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 3dxj n THR 51 N -2.39 0.00 -3.99 3.84 -1.04 -0.34 -4.64 114.28 105.73 3dxj n THR 51 Ca -0.02 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.90 3dxj n THR 51 Cb 0.52 -0.50 -0.10 0.00 -1.82 0.00 0.00 70.33 68.43 3dxj n THR 51 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 3dxj s PHE 52 N -2.00 0.29 -0.16 -1.42 0.08 -0.38 -3.98 117.98 110.41 3dxj s PHE 52 Ca 0.41 -0.63 -0.29 0.00 0.12 0.00 0.00 56.93 56.54 3dxj s PHE 52 Cb 0.19 -0.22 -0.00 0.00 -0.57 0.00 0.00 43.02 42.42 3dxj s PHE 52 CO 0.32 -0.29 1.04 -1.25 -0.10 0.00 0.00 175.22 174.93 3dxj s PRO 53 N -2.41 4.34 -0.24 0.24 0.04 -1.26 -4.53 135.00 131.18 3dxj s PRO 53 Ca -0.07 1.39 -0.20 0.00 0.04 0.00 0.00 61.00 62.16 3dxj s PRO 53 Cb -0.03 -3.59 -0.02 0.00 0.04 0.00 0.00 34.50 30.90 3dxj s PRO 53 CO -0.04 -0.48 0.62 -1.50 0.04 0.00 0.00 177.00 175.64 3dxj s ILE 54 N 2.61 5.00 0.41 0.56 2.07 -0.87 -4.99 121.20 125.98 3dxj s ILE 54 Ca 0.47 1.12 0.07 0.00 -1.41 0.00 0.00 60.65 60.90 3dxj s ILE 54 Cb -0.17 -3.92 -0.07 0.00 0.13 0.00 0.00 42.46 38.43 3dxj s ILE 54 CO 0.13 0.06 0.06 -0.70 -1.91 0.00 0.00 174.94 172.57 3dxj s GLU 55 N 2.31 2.04 -0.35 3.50 2.12 -1.26 -3.54 118.70 123.52 3dxj s GLU 55 Ca 0.26 -2.01 0.13 0.00 0.36 0.00 0.00 54.97 53.72 3dxj s GLU 55 Cb -0.16 -1.76 0.41 0.00 0.26 0.00 0.00 34.13 32.89 3dxj s GLU 55 CO 0.09 -0.05 1.47 0.39 -0.54 0.00 0.00 175.26 176.61 3dxj n GLU 56 N -1.05 1.35 -3.15 4.30 1.02 -1.25 -5.05 120.64 116.82 3dxj n GLU 56 Ca -0.04 -1.53 -0.41 0.00 -0.02 0.00 0.00 57.16 55.16 3dxj n GLU 56 Cb 0.66 0.16 -0.07 0.00 -0.02 0.00 0.00 31.44 32.17 3dxj n GLU 56 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 3dxj s GLU 57 N -0.16 3.96 -0.21 3.49 2.12 -1.26 -4.80 118.70 121.84 3dxj s GLU 57 Ca 0.14 0.32 -0.08 0.00 0.36 0.00 0.00 54.97 55.70 3dxj s GLU 57 Cb 0.43 -3.70 -0.04 0.00 0.26 0.00 0.00 34.13 31.08 3dxj s GLU 57 CO -0.11 -0.50 0.10 -0.51 -0.54 0.00 0.00 175.26 173.70 3dxj s ASP 58 N 1.60 5.75 0.00 -1.70 1.01 -1.26 -4.93 116.67 117.14 3dxj s ASP 58 Ca 0.24 0.06 0.00 0.00 0.71 0.00 0.00 52.55 53.56 3dxj s ASP 58 Cb -0.15 -2.01 0.00 0.00 1.01 0.00 0.00 42.92 41.77 3dxj s ASP 58 CO 0.11 0.12 0.81 0.29 0.21 0.00 0.00 175.17 176.70 3dxj n LYS 59 N 3.94 0.00 0.01 8.23 4.01 -1.26 0.59 118.16 133.68 3dxj n LYS 59 Ca -0.16 0.32 -0.02 0.00 -0.51 0.00 0.00 58.31 57.94 3dxj n LYS 59 Cb 0.52 -1.61 -0.01 0.00 -0.51 0.00 0.00 35.03 33.42 3dxj n LYS 59 CO 0.00 0.00 0.00 0.78 -1.11 0.00 0.00 177.40 177.07 3dxj h GLY 60 N 0.00 -0.15 2.00 0.72 0.00 -2.01 -3.02 103.07 100.61 3dxj h GLY 60 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.39 3dxj h GLY 60 CO 0.00 -0.06 0.00 0.28 0.00 0.00 0.00 176.54 176.76 3dxj n LYS 61 N -4.84 0.11 0.00 4.80 4.76 -0.54 -4.89 118.16 117.56 3dxj n LYS 61 Ca -0.02 0.43 0.00 0.00 -2.87 0.00 0.00 58.31 55.85 3dxj n LYS 61 Cb 0.06 -1.75 0.00 0.00 -1.84 0.00 0.00 35.03 31.50 3dxj n LYS 61 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3dxj n GLY 62 N -0.43 3.46 3.64 0.72 0.00 0.20 -4.00 105.19 108.79 3dxj n GLY 62 Ca 0.02 -0.10 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 3dxj n GLY 62 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dxj s GLY 63 N 0.00 1.47 -0.42 -0.02 0.00 -1.26 -4.05 107.32 103.04 3dxj s GLY 63 Ca 0.00 0.22 0.11 0.00 0.00 0.00 0.00 44.72 45.04 3dxj s GLY 63 CO 0.00 2.55 0.89 -0.10 0.00 0.00 0.00 173.10 176.44 3dxj n LEU 64 N 7.28 2.45 -4.72 0.66 7.94 -1.26 -1.85 117.00 127.49 3dxj n LEU 64 Ca 0.14 -4.92 -0.42 0.00 -1.11 0.00 0.00 56.01 49.71 3dxj n LEU 64 Cb 0.46 0.16 -0.03 0.00 0.53 0.00 0.00 43.42 44.54 3dxj n LEU 64 CO 0.60 2.14 0.95 -0.69 -1.11 0.00 0.00 177.39 179.28 3dxj s VAL 65 N -3.55 3.65 -0.39 1.96 1.01 -1.22 -3.86 120.40 117.99 3dxj s VAL 65 Ca 0.40 1.23 0.05 0.00 0.00 0.00 0.00 61.98 63.66 3dxj s VAL 65 Cb 0.36 -3.78 0.17 0.00 0.00 0.00 0.00 36.38 33.13 3dxj s VAL 65 CO -0.08 0.12 0.50 -0.22 0.00 0.00 0.00 175.10 175.41 3dxj s LEU 66 N 0.76 -0.72 0.42 3.92 2.96 -0.96 -0.97 118.68 124.08 3dxj s LEU 66 Ca 0.59 -1.26 0.07 0.00 -0.22 0.00 0.00 54.13 53.31 3dxj s LEU 66 Cb -0.33 1.20 -0.07 0.00 0.50 0.00 0.00 46.19 47.49 3dxj s LEU 66 CO 0.31 -0.21 0.06 -0.62 -1.32 0.00 0.00 176.35 174.57 3dxj s ASP 67 N 1.58 4.04 0.51 3.68 3.68 -0.70 -2.05 116.67 127.41 3dxj s ASP 67 Ca 0.17 -1.31 -0.08 0.00 2.13 0.00 0.00 52.55 53.45 3dxj s ASP 67 Cb -0.10 -0.35 -0.04 0.00 -1.45 0.00 0.00 42.92 40.98 3dxj s ASP 67 CO -0.05 -0.51 0.87 0.12 0.13 0.00 0.00 175.17 175.73 3dxj s PHE 68 N -2.69 3.57 0.05 -5.34 5.36 -1.26 -2.12 117.98 115.54 3dxj s PHE 68 Ca 0.35 1.02 0.00 0.00 -0.96 0.00 0.00 56.93 57.33 3dxj s PHE 68 Cb 0.08 -2.47 0.00 0.00 -0.34 0.00 0.00 43.02 40.29 3dxj s PHE 68 CO 0.18 -0.38 0.00 -0.11 -1.46 0.00 0.00 175.22 173.45 3dxj n LEU 69 N -2.24 -0.02 -3.76 6.12 0.00 0.58 -4.88 117.00 112.80 3dxj n LEU 69 Ca 0.03 0.08 -0.13 0.00 0.00 0.00 0.00 56.01 55.99 3dxj n LEU 69 Cb 0.55 0.06 -0.13 0.00 0.00 0.00 0.00 43.42 43.90 3dxj n LEU 69 CO 0.54 -0.55 -0.14 -1.61 0.00 0.00 0.00 177.39 175.63 3dxj s GLU 70 N -1.16 0.21 0.42 1.96 2.02 -0.94 -4.95 118.70 116.26 3dxj s GLU 70 Ca 0.00 0.42 -0.07 0.00 0.02 0.00 0.00 54.97 55.35 3dxj s GLU 70 Cb 0.00 -0.04 -0.05 0.00 0.10 0.00 0.00 34.13 34.14 3dxj s GLU 70 CO 0.00 -0.11 0.74 1.52 0.02 0.00 0.00 175.26 177.42 3dxj s TYR 71 N 0.83 3.52 -0.02 1.61 -0.00 -1.26 0.12 117.35 122.15 3dxj s TYR 71 Ca -0.06 0.85 -0.29 0.00 -0.00 0.00 0.00 57.07 57.57 3dxj s TYR 71 Cb -0.07 -2.30 0.10 0.00 -0.00 0.00 0.00 41.96 39.69 3dxj s TYR 71 CO -0.05 -0.14 0.87 -0.98 -0.00 0.00 0.00 175.55 175.25 3dxj s ARG 72 N -4.25 0.84 0.00 -3.49 1.70 -0.84 -4.90 118.95 108.01 3dxj s ARG 72 Ca 0.48 -0.22 0.00 0.00 -0.47 0.00 0.00 55.73 55.52 3dxj s ARG 72 Cb -0.10 0.39 0.00 0.00 -0.57 0.00 0.00 34.95 34.66 3dxj s ARG 72 CO 0.38 -0.35 0.00 1.47 -1.08 0.00 0.00 175.30 175.72 3dxj n LEU 73 N -0.06 0.00 0.00 -1.89 -0.00 -1.26 0.12 117.00 113.91 3dxj n LEU 73 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.91 3dxj n LEU 73 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.03 3dxj n LEU 73 CO 0.12 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.12 3dxj n GLY 74 N -0.14 0.00 3.11 1.47 0.00 -1.25 -5.03 105.19 103.35 3dxj n GLY 74 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3dxj n GLY 74 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3dxj s GLU 75 N 0.00 2.37 -0.45 1.61 2.12 -1.26 -5.02 118.70 118.08 3dxj s GLU 75 Ca 0.00 -2.26 -0.27 0.00 0.36 0.00 0.00 54.97 52.80 3dxj s GLU 75 Cb 0.00 -3.69 -0.05 0.00 0.26 0.00 0.00 34.13 30.65 3dxj s GLU 75 CO 0.00 -1.14 2.15 -2.14 -0.54 0.00 0.00 175.26 173.59 3dxj s PRO 76 N 0.40 2.60 0.17 4.30 0.02 -1.26 -4.41 135.00 136.82 3dxj s PRO 76 Ca 0.14 1.33 0.02 0.00 0.02 0.00 0.00 61.00 62.51 3dxj s PRO 76 Cb -0.21 -4.44 0.44 0.00 0.02 0.00 0.00 34.50 30.31 3dxj s PRO 76 CO -0.04 -2.72 0.82 -2.30 -0.33 0.00 0.00 177.00 172.44 3dxj n PRO 77 N 8.92 -0.04 -4.19 5.54 -0.02 -1.25 -4.50 135.00 139.47 3dxj n PRO 77 Ca 0.29 0.78 -0.11 0.00 -2.02 0.00 0.00 63.50 62.44 3dxj n PRO 77 Cb 0.51 -1.26 -0.10 0.00 -0.02 0.00 0.00 33.50 32.63 3dxj n PRO 77 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3dxj s PHE 78 N -5.29 1.05 0.31 6.00 0.40 -1.26 -5.16 117.98 114.02 3dxj s PHE 78 Ca -0.07 -1.28 -0.25 0.00 -0.60 0.00 0.00 56.93 54.73 3dxj s PHE 78 Cb 0.16 -0.55 -0.10 0.00 0.51 0.00 0.00 43.02 43.04 3dxj s PHE 78 CO 0.41 -0.54 0.92 -1.25 0.70 0.00 0.00 175.22 175.45 3dxj s PRO 79 N -4.09 4.56 0.00 0.24 0.04 -1.26 -4.85 135.00 129.64 3dxj s PRO 79 Ca 0.31 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.63 3dxj s PRO 79 Cb 0.07 -2.83 0.00 0.00 0.04 0.00 0.00 34.50 31.78 3dxj s PRO 79 CO 0.07 0.31 0.41 1.04 0.04 0.00 0.00 177.00 178.86 3dxj n GLN 80 N 0.62 0.00 -0.52 4.56 6.02 -1.26 0.12 117.38 126.92 3dxj n GLN 80 Ca 0.01 0.41 0.43 0.00 -0.01 0.00 0.00 57.00 57.84 3dxj n GLN 80 Cb 0.50 -0.80 0.71 0.00 1.02 0.00 0.00 30.24 31.67 3dxj n GLN 80 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 3dxj n ASP 81 N -0.96 0.16 0.03 1.08 5.68 -1.26 0.14 116.55 121.41 3dxj n ASP 81 Ca 0.00 1.29 -0.16 0.00 -0.50 0.00 0.00 54.79 55.42 3dxj n ASP 81 Cb 0.00 -0.63 -0.06 0.00 -1.14 0.00 0.00 41.12 39.28 3dxj n ASP 81 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 3dxj h GLU 82 N 0.00 0.64 -0.44 0.11 4.81 -0.71 -3.10 114.58 115.89 3dxj h GLU 82 Ca 0.89 -0.60 0.06 0.00 -0.13 0.00 0.00 59.36 59.58 3dxj h GLU 82 Cb 3.04 0.15 -0.05 0.00 0.63 0.00 0.00 28.75 32.52 3dxj h GLU 82 CO -0.36 1.21 0.15 0.00 -0.73 0.00 0.00 179.01 179.28 3dxj h ARG 84 N 0.31 0.39 -0.15 0.00 3.08 -1.43 0.36 114.38 116.94 3dxj h ARG 84 Ca 0.21 -0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.28 3dxj h ARG 84 Cb 0.21 -0.09 -0.07 0.00 0.08 0.00 0.00 29.97 30.10 3dxj h ARG 84 CO -0.22 0.25 -0.45 0.93 -1.07 0.00 0.00 179.97 179.42 3dxj h GLU 85 N 0.40 -0.48 -1.22 0.04 4.39 -1.26 -2.53 114.58 113.91 3dxj h GLU 85 Ca 0.26 0.03 -0.45 0.00 0.34 0.00 0.00 59.36 59.54 3dxj h GLU 85 Cb 0.27 0.11 -0.21 0.00 -0.10 0.00 0.00 28.75 28.83 3dxj h GLU 85 CO -0.25 -0.32 0.58 1.63 -1.16 0.00 0.00 179.01 179.49 3dxj n LYS 86 N -5.44 2.11 -4.29 2.33 5.02 -1.11 -4.88 118.16 111.91 3dxj n LYS 86 Ca -0.04 -2.26 -0.34 0.00 -2.02 0.00 0.00 58.31 53.65 3dxj n LYS 86 Cb 0.37 -1.89 -0.07 0.00 -0.02 0.00 0.00 35.03 33.42 3dxj n LYS 86 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3dxj n ASP 87 N -0.31 -0.60 -5.02 4.39 8.00 -0.95 -4.81 116.55 117.25 3dxj n ASP 87 Ca 0.44 -1.18 -0.20 0.00 0.71 0.00 0.00 54.79 54.56 3dxj n ASP 87 Cb 0.79 -2.05 0.06 0.00 -0.02 0.00 0.00 41.12 39.90 3dxj n ASP 87 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3dxj s LEU 88 N -7.26 3.14 -0.47 0.64 1.43 0.13 -4.02 118.68 112.27 3dxj s LEU 88 Ca 0.31 -0.79 0.03 0.00 -1.03 0.00 0.00 54.13 52.65 3dxj s LEU 88 Cb -0.18 -1.72 0.13 0.00 0.03 0.00 0.00 46.19 44.45 3dxj s LEU 88 CO 0.97 -1.33 0.22 -0.89 0.23 0.00 0.00 176.35 175.55 3dxj s THR 89 N -2.67 2.24 -0.50 5.49 2.01 -1.26 0.16 115.64 121.11 3dxj s THR 89 Ca 0.62 -2.94 -0.46 0.00 0.31 0.00 0.00 61.69 59.21 3dxj s THR 89 Cb -0.06 -2.58 -0.20 0.00 0.01 0.00 0.00 72.50 69.68 3dxj s THR 89 CO 0.39 -0.78 1.72 0.00 -0.69 0.00 0.00 174.62 175.26 3dxj n TYR 90 N 3.44 1.63 -3.85 4.92 9.36 -1.14 -4.80 117.16 126.71 3dxj n TYR 90 Ca 0.05 1.06 -0.02 0.00 3.32 0.00 0.00 57.90 62.32 3dxj n TYR 90 Cb 0.34 -2.25 0.02 0.00 -0.63 0.00 0.00 39.34 36.83 3dxj n TYR 90 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3dxj n GLN 91 N 4.78 0.47 -3.78 2.98 10.64 -1.26 -1.90 117.38 129.30 3dxj n GLN 91 Ca 0.36 -1.13 -0.13 0.00 -1.83 0.00 0.00 57.00 54.27 3dxj n GLN 91 Cb -0.05 1.57 -0.14 0.00 -0.86 0.00 0.00 30.24 30.76 3dxj n GLN 91 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3dxj s ALA 92 N -1.86 -0.25 0.92 2.61 0.00 -0.30 -3.79 121.76 119.09 3dxj s ALA 92 Ca 0.20 0.51 -0.13 0.00 0.00 0.00 0.00 51.96 52.55 3dxj s ALA 92 Cb -0.02 -0.34 0.05 0.00 0.00 0.00 0.00 23.12 22.81 3dxj s ALA 92 CO 0.04 -0.11 0.57 -2.30 0.00 0.00 0.00 175.76 173.96 3dxj n PRO 93 N 3.74 -0.24 -3.85 0.00 -0.02 -1.26 -1.40 135.00 131.97 3dxj n PRO 93 Ca -0.21 -0.02 -0.30 0.00 -2.02 0.00 0.00 63.50 60.95 3dxj n PRO 93 Cb 0.54 -1.97 -0.16 0.00 -0.02 0.00 0.00 33.50 31.90 3dxj n PRO 93 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3dxj s LEU 94 N -2.10 2.39 0.00 2.45 2.96 0.71 -3.89 118.68 121.20 3dxj s LEU 94 Ca 0.60 -1.30 -0.13 0.00 -0.22 0.00 0.00 54.13 53.08 3dxj s LEU 94 Cb -0.23 -1.02 0.20 0.00 0.50 0.00 0.00 46.19 45.64 3dxj s LEU 94 CO 0.64 -0.31 1.21 -1.22 -1.32 0.00 0.00 176.35 175.35 3dxj n TYR 95 N 4.76 -3.82 -3.48 5.38 4.02 0.32 -3.73 117.16 120.61 3dxj n TYR 95 Ca -0.07 -1.21 0.00 0.00 -0.01 0.00 0.00 57.90 56.60 3dxj n TYR 95 Cb 0.44 -0.93 -0.05 0.00 -0.02 0.00 0.00 39.34 38.78 3dxj n TYR 95 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3dxj s ALA 96 N -3.83 -2.58 -0.26 -0.72 0.00 -1.21 -1.99 121.76 111.17 3dxj s ALA 96 Ca 0.70 2.09 -0.28 0.00 0.00 0.00 0.00 51.96 54.47 3dxj s ALA 96 Cb -0.02 -1.95 0.01 0.00 0.00 0.00 0.00 23.12 21.16 3dxj s ALA 96 CO 0.49 -0.74 0.99 1.03 0.00 0.00 0.00 175.76 177.53 3dxj s ARG 97 N 2.04 4.18 0.00 0.00 0.52 0.32 -3.55 118.95 122.46 3dxj s ARG 97 Ca -0.05 1.15 0.00 0.00 -0.52 0.00 0.00 55.73 56.32 3dxj s ARG 97 Cb -0.05 -3.67 0.00 0.00 0.52 0.00 0.00 34.95 31.75 3dxj s ARG 97 CO -0.16 -0.68 0.00 1.28 0.02 0.00 0.00 175.30 175.76 3dxj n LEU 98 N 6.39 0.00 -3.27 2.53 4.77 -1.26 -0.31 117.00 125.85 3dxj n LEU 98 Ca 0.10 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.11 3dxj n LEU 98 Cb 0.47 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.53 3dxj n LEU 98 CO 0.53 0.00 0.59 -1.58 -1.33 0.00 0.00 177.39 175.60 3dxj s GLN 99 N 0.42 0.25 -0.20 3.23 0.74 -0.90 -4.60 119.66 118.60 3dxj s GLN 99 Ca 0.00 0.55 -0.03 0.00 0.05 0.00 0.00 55.36 55.94 3dxj s GLN 99 Cb 0.00 0.32 -0.01 0.00 1.10 0.00 0.00 33.01 34.43 3dxj s GLN 99 CO 0.00 -0.17 -0.08 -1.17 -0.55 0.00 0.00 175.29 173.32 3dxj s LEU 100 N 2.64 2.77 0.00 3.68 2.96 -1.16 -1.72 118.68 127.85 3dxj s LEU 100 Ca -0.00 -0.41 0.05 0.00 -0.22 0.00 0.00 54.13 53.55 3dxj s LEU 100 Cb -0.08 -1.68 0.05 0.00 0.50 0.00 0.00 46.19 44.98 3dxj s LEU 100 CO -0.15 0.02 0.41 -0.38 -1.32 0.00 0.00 176.35 174.93 3dxj n ILE 101 N 4.51 0.00 -4.01 6.68 5.41 -0.15 -2.48 119.36 129.33 3dxj n ILE 101 Ca -0.19 -2.22 -0.10 0.00 1.00 0.00 0.00 62.75 61.25 3dxj n ILE 101 Cb 0.51 -0.01 -0.11 0.00 -0.71 0.00 0.00 39.64 39.32 3dxj n ILE 101 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 3dxj s HIS 102 N -2.77 0.39 0.56 1.39 3.76 0.13 -3.45 115.29 115.30 3dxj s HIS 102 Ca 0.31 -0.51 0.37 0.00 -0.15 0.00 0.00 55.06 55.08 3dxj s HIS 102 Cb -0.02 -0.25 1.49 0.00 1.11 0.00 0.00 32.58 34.90 3dxj s HIS 102 CO 0.20 -0.15 1.72 -0.22 -0.85 0.00 0.00 174.74 175.43 3dxj h LYS 103 N 4.63 0.00 -0.99 1.40 3.64 -1.50 1.97 116.57 125.72 3dxj h LYS 103 Ca -0.33 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 58.97 3dxj h LYS 103 Cb 1.21 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.98 3dxj h LYS 103 CO 0.41 0.00 0.10 -0.40 -2.27 0.00 0.00 179.45 177.29 3dxj n ASP 104 N -3.95 2.93 -1.96 4.20 5.75 -1.26 -4.67 116.55 117.59 3dxj n ASP 104 Ca 0.26 -2.26 -0.15 0.00 -0.01 0.00 0.00 54.79 52.63 3dxj n ASP 104 Cb 1.32 -0.55 -0.03 0.00 -1.03 0.00 0.00 41.12 40.82 3dxj n ASP 104 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 3dxj n THR 105 N 0.20 -0.37 -2.07 2.12 -2.24 0.66 -4.84 114.28 107.73 3dxj n THR 105 Ca 0.10 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.57 3dxj n THR 105 Cb 0.66 -1.77 -0.04 0.00 -2.10 0.00 0.00 70.33 67.07 3dxj n THR 105 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3dxj s GLY 106 N -2.13 0.24 -1.21 3.38 0.00 -0.54 -4.71 107.32 102.35 3dxj s GLY 106 Ca 0.00 -1.34 -0.07 0.00 0.00 0.00 0.00 44.72 43.31 3dxj s GLY 106 CO 0.00 3.43 1.83 1.04 0.00 0.00 0.00 173.10 179.39 3dxj n LEU 107 N 13.42 6.83 -4.62 0.66 4.77 -1.26 -0.69 117.00 136.10 3dxj n LEU 107 Ca 0.35 -4.90 -0.42 0.00 -0.03 0.00 0.00 56.01 51.01 3dxj n LEU 107 Cb 0.48 -1.38 -0.05 0.00 -2.33 0.00 0.00 43.42 40.15 3dxj n LEU 107 CO 0.63 1.61 0.61 -0.63 -1.33 0.00 0.00 177.39 178.28 3dxj s ILE 108 N -1.09 4.80 -0.52 -0.08 1.01 -1.04 -4.99 121.20 119.30 3dxj s ILE 108 Ca 0.39 1.28 -0.00 0.00 0.00 0.00 0.00 60.65 62.32 3dxj s ILE 108 Cb 0.10 -4.14 0.13 0.00 0.01 0.00 0.00 42.46 38.57 3dxj s ILE 108 CO 0.01 -0.21 0.30 -1.59 0.00 0.00 0.00 174.94 173.46 3dxj s LYS 109 N 2.93 2.17 -0.92 2.79 -2.85 -1.26 -3.00 119.74 119.60 3dxj s LYS 109 Ca 0.33 -2.31 -0.24 0.00 -1.00 0.00 0.00 55.97 52.75 3dxj s LYS 109 Cb -0.14 -3.54 0.02 0.00 -2.06 0.00 0.00 37.83 32.11 3dxj s LYS 109 CO 0.11 -1.11 1.58 -2.00 0.10 0.00 0.00 175.35 174.03 3dxj s GLU 110 N 0.28 3.21 0.00 1.78 2.12 -1.26 -4.85 118.70 119.97 3dxj s GLU 110 Ca 0.14 -0.66 -0.01 0.00 0.36 0.00 0.00 54.97 54.80 3dxj s GLU 110 Cb -0.22 -5.04 -0.04 0.00 0.26 0.00 0.00 34.13 29.08 3dxj s GLU 110 CO -0.03 -2.52 1.77 -0.25 -0.54 0.00 0.00 175.26 173.69 3dxj n ASP 111 N 10.48 3.93 -3.68 -1.70 8.00 -1.26 -4.11 116.55 128.22 3dxj n ASP 111 Ca 0.29 -2.08 -0.12 0.00 0.71 0.00 0.00 54.79 53.59 3dxj n ASP 111 Cb 0.50 -0.88 -0.09 0.00 -0.02 0.00 0.00 41.12 40.63 3dxj n ASP 111 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3dxj s GLU 112 N 0.75 0.62 -0.37 -1.24 0.41 -1.23 -4.40 118.70 113.23 3dxj s GLU 112 Ca 0.11 0.87 -0.04 0.00 -0.41 0.00 0.00 54.97 55.49 3dxj s GLU 112 Cb 0.05 0.22 0.20 0.00 -1.78 0.00 0.00 34.13 32.83 3dxj s GLU 112 CO 0.00 -0.11 1.01 0.14 -0.49 0.00 0.00 175.26 175.82 3dxj s VAL 113 N 0.75 -0.36 -0.53 2.63 -7.23 -1.25 -4.83 120.40 109.58 3dxj s VAL 113 Ca -0.04 -0.28 0.13 0.00 -1.81 0.00 0.00 61.98 59.99 3dxj s VAL 113 Cb -0.05 0.00 0.71 0.00 0.56 0.00 0.00 36.38 37.60 3dxj s VAL 113 CO -0.06 0.00 1.59 2.22 -0.31 0.00 0.00 175.10 178.54 3dxj n PHE 114 N 2.93 1.73 -0.34 2.82 1.16 -1.24 -3.29 117.46 121.22 3dxj n PHE 114 Ca 0.11 -0.61 0.17 0.00 -1.87 0.00 0.00 57.45 55.25 3dxj n PHE 114 Cb 0.63 -0.41 0.33 0.00 -1.61 0.00 0.00 39.48 38.42 3dxj n PHE 114 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 3dxj n LEU 115 N 0.65 -0.05 -4.58 5.98 4.77 -1.26 -3.78 117.00 118.74 3dxj n LEU 115 Ca 0.24 1.67 -0.34 0.00 -0.03 0.00 0.00 56.01 57.56 3dxj n LEU 115 Cb 1.03 -0.64 -0.11 0.00 -2.33 0.00 0.00 43.42 41.37 3dxj n LEU 115 CO 0.27 -1.72 -0.36 -0.83 -1.33 0.00 0.00 177.39 173.42 3dxj s GLY 116 N -4.36 1.74 0.18 -0.72 0.00 -1.26 -4.91 107.32 97.98 3dxj s GLY 116 Ca -0.12 -0.85 0.09 0.00 0.00 0.00 0.00 44.72 43.84 3dxj s GLY 116 CO 0.77 -0.49 -0.12 -2.38 0.00 0.00 0.00 173.10 170.88 3dxj s HIS 117 N -0.52 2.58 0.07 1.90 -3.43 -1.26 0.25 115.29 114.88 3dxj s HIS 117 Ca 0.08 -0.24 0.05 0.00 -0.80 0.00 0.00 55.06 54.15 3dxj s HIS 117 Cb -0.12 -1.27 -0.03 0.00 -1.43 0.00 0.00 32.58 29.74 3dxj s HIS 117 CO 0.02 0.50 -0.14 0.96 -2.00 0.00 0.00 174.74 174.09 3dxj s ILE 118 N -1.67 1.07 0.96 -5.38 -4.36 -0.50 -4.83 121.20 106.50 3dxj s ILE 118 Ca 0.24 -1.25 -0.13 0.00 -0.26 0.00 0.00 60.65 59.25 3dxj s ILE 118 Cb -0.09 -1.03 0.07 0.00 1.25 0.00 0.00 42.46 42.67 3dxj s ILE 118 CO 0.14 -0.21 0.55 -2.65 0.24 0.00 0.00 174.94 173.01 3dxj n PRO 119 N 1.37 -0.48 -4.39 0.37 -0.02 -1.26 -1.14 135.00 129.45 3dxj n PRO 119 Ca -0.21 -0.09 -0.23 0.00 -2.02 0.00 0.00 63.50 60.94 3dxj n PRO 119 Cb 0.54 -1.96 -0.11 0.00 -0.02 0.00 0.00 33.50 31.95 3dxj n PRO 119 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3dxj s LEU 120 N -2.42 2.48 -0.19 2.45 1.43 -0.80 -4.77 118.68 116.86 3dxj s LEU 120 Ca 0.59 -0.91 -0.13 0.00 -1.03 0.00 0.00 54.13 52.65 3dxj s LEU 120 Cb -0.21 -0.96 -0.05 0.00 0.03 0.00 0.00 46.19 45.00 3dxj s LEU 120 CO 0.65 0.01 0.26 -0.32 0.23 0.00 0.00 176.35 177.18 3dxj s MET 121 N -2.98 4.20 1.08 1.70 -2.45 -1.26 -4.51 119.30 115.09 3dxj s MET 121 Ca 0.20 -0.01 -0.17 0.00 -1.25 0.00 0.00 55.69 54.47 3dxj s MET 121 Cb -0.06 -3.46 0.11 0.00 1.25 0.00 0.00 34.83 32.67 3dxj s MET 121 CO 0.09 0.18 0.23 2.41 1.05 0.00 0.00 175.02 178.97 3dxj n THR 122 N 3.80 0.00 0.15 10.11 -1.04 0.89 -4.78 114.28 123.42 3dxj n THR 122 Ca -0.13 -0.28 0.05 0.00 -2.04 0.00 0.00 64.05 61.64 3dxj n THR 122 Cb 0.52 -0.66 0.48 0.00 -1.82 0.00 0.00 70.33 68.85 3dxj n THR 122 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 3dxj h GLU 123 N -2.02 0.19 0.00 -2.82 4.81 -1.97 -1.71 114.58 111.05 3dxj h GLU 123 Ca -0.52 -0.03 -0.18 0.00 -0.13 0.00 0.00 59.36 58.50 3dxj h GLU 123 Cb 1.34 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.66 3dxj h GLU 123 CO 0.39 0.25 -1.04 0.38 -0.73 0.00 0.00 179.01 178.25 3dxj h ASP 124 N 0.18 0.00 0.00 1.04 2.03 -1.94 -3.48 116.42 114.25 3dxj h ASP 124 Ca 0.04 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.34 3dxj h ASP 124 Cb 0.20 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.70 3dxj h ASP 124 CO 0.01 0.77 0.00 0.61 -1.03 0.00 0.00 179.24 179.60 3dxj n GLY 125 N 1.35 1.16 1.41 7.15 0.00 -0.64 -4.86 105.19 110.77 3dxj n GLY 125 Ca -0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 3dxj n GLY 125 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3dxj n SER 126 N 0.00 0.35 -4.21 1.61 3.41 -1.26 -4.57 113.62 108.95 3dxj n SER 126 Ca 0.00 -1.34 -0.14 0.00 -0.26 0.00 0.00 58.87 57.14 3dxj n SER 126 Cb 0.00 -0.28 -0.10 0.00 -0.26 0.00 0.00 64.21 63.57 3dxj n SER 126 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3dxj s PHE 127 N -1.32 1.11 -0.39 7.33 0.40 -0.54 -0.07 117.98 124.50 3dxj s PHE 127 Ca 0.25 -0.75 -0.04 0.00 -0.60 0.00 0.00 56.93 55.80 3dxj s PHE 127 Cb -0.01 -0.59 0.09 0.00 0.51 0.00 0.00 43.02 43.02 3dxj s PHE 127 CO 0.17 0.01 0.17 0.42 0.70 0.00 0.00 175.22 176.69 3dxj s ILE 128 N -3.03 3.40 -0.29 0.64 1.01 -1.26 0.30 121.20 121.97 3dxj s ILE 128 Ca 0.11 -1.81 -0.07 0.00 0.00 0.00 0.00 60.65 58.89 3dxj s ILE 128 Cb 0.01 -3.21 0.01 0.00 0.01 0.00 0.00 42.46 39.28 3dxj s ILE 128 CO -0.01 -0.54 0.07 -0.63 0.00 0.00 0.00 174.94 173.83 3dxj s ILE 129 N 1.21 3.91 -1.41 2.92 -1.09 0.27 -2.89 121.20 124.13 3dxj s ILE 129 Ca 0.05 -0.72 -0.00 0.00 -2.23 0.00 0.00 60.65 57.75 3dxj s ILE 129 Cb -0.22 -3.02 0.00 0.00 -1.58 0.00 0.00 42.46 37.64 3dxj s ILE 129 CO -0.02 0.08 0.41 0.59 -1.23 0.00 0.00 174.94 174.76 3dxj n ASN 130 N 4.86 -0.27 0.00 3.58 3.02 -0.03 0.77 115.26 127.19 3dxj n ASN 130 Ca -0.15 -1.01 0.00 0.00 -0.03 0.00 0.00 54.58 53.39 3dxj n ASN 130 Cb 0.48 -3.02 0.00 0.00 -0.61 0.00 0.00 39.78 36.63 3dxj n ASN 130 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dxj n GLY 131 N -2.00 2.26 3.75 7.41 0.00 0.43 -4.37 105.19 112.67 3dxj n GLY 131 Ca -0.31 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.32 3dxj n GLY 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dxj s ALA 132 N -1.42 3.43 -0.20 4.61 0.00 0.23 -4.68 121.76 123.73 3dxj s ALA 132 Ca 0.00 0.11 -0.29 0.00 0.00 0.00 0.00 51.96 51.78 3dxj s ALA 132 Cb 0.00 -2.84 -0.01 0.00 0.00 0.00 0.00 23.12 20.26 3dxj s ALA 132 CO 0.00 0.10 1.33 -0.51 0.00 0.00 0.00 175.76 176.68 3dxj s ASP 133 N -0.00 6.79 0.17 0.00 1.01 -1.26 0.96 116.67 124.34 3dxj s ASP 133 Ca 0.34 1.57 0.09 0.00 0.71 0.00 0.00 52.55 55.26 3dxj s ASP 133 Cb -0.19 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.16 3dxj s ASP 133 CO 0.19 -0.91 -0.12 -0.60 0.21 0.00 0.00 175.17 173.93 3dxj s ARG 134 N 3.84 1.97 0.07 8.23 6.06 0.15 0.20 118.95 139.47 3dxj s ARG 134 Ca 0.58 -1.28 0.04 0.00 -2.50 0.00 0.00 55.73 52.56 3dxj s ARG 134 Cb -0.21 -2.12 -0.03 0.00 0.06 0.00 0.00 34.95 32.65 3dxj s ARG 134 CO 0.19 0.44 -0.11 0.08 -2.50 0.00 0.00 175.30 173.40 3dxj s VAL 135 N -1.63 0.84 -0.19 7.11 1.01 0.44 -1.46 120.40 126.52 3dxj s VAL 135 Ca 0.24 -1.31 -0.00 0.00 0.00 0.00 0.00 61.98 60.90 3dxj s VAL 135 Cb -0.09 -0.98 0.01 0.00 0.00 0.00 0.00 36.38 35.32 3dxj s VAL 135 CO 0.14 -0.38 -0.16 -0.63 0.00 0.00 0.00 175.10 174.07 3dxj s ILE 136 N -1.65 2.43 -0.35 2.22 -1.09 -1.26 -0.24 121.20 121.27 3dxj s ILE 136 Ca -0.03 -0.82 -0.21 0.00 -2.23 0.00 0.00 60.65 57.36 3dxj s ILE 136 Cb -0.08 -2.05 0.00 0.00 -1.58 0.00 0.00 42.46 38.76 3dxj s ILE 136 CO 0.01 0.51 0.67 -0.69 -1.23 0.00 0.00 174.94 174.21 3dxj s VAL 137 N 1.28 4.86 -0.07 2.92 1.01 -0.68 -4.88 120.40 124.85 3dxj s VAL 137 Ca 0.04 0.70 -0.29 0.00 0.00 0.00 0.00 61.98 62.42 3dxj s VAL 137 Cb -0.14 -4.09 -0.06 0.00 0.00 0.00 0.00 36.38 32.09 3dxj s VAL 137 CO -0.09 -0.31 1.84 -0.94 0.00 0.00 0.00 175.10 175.60 3dxj s SER 138 N 1.77 6.38 0.15 3.32 1.04 -1.25 -4.57 113.70 120.55 3dxj s SER 138 Ca 0.26 2.25 0.06 0.00 0.48 0.00 0.00 55.95 59.00 3dxj s SER 138 Cb -0.14 -2.53 -0.04 0.00 0.10 0.00 0.00 66.02 63.41 3dxj s SER 138 CO 0.15 -1.16 0.03 0.00 0.98 0.00 0.00 173.24 173.23 3dxj s GLN 139 N 4.60 2.56 0.45 4.02 -2.07 -0.91 -1.13 119.66 127.18 3dxj s GLN 139 Ca 0.82 -0.98 0.03 0.00 -1.82 0.00 0.00 55.36 53.42 3dxj s GLN 139 Cb -0.35 -2.47 0.01 0.00 -1.09 0.00 0.00 33.01 29.10 3dxj s GLN 139 CO 0.35 0.49 0.64 0.96 -1.32 0.00 0.00 175.29 176.40 3dxj s ILE 140 N -1.61 3.43 0.28 3.63 -4.36 0.23 0.50 121.20 123.30 3dxj s ILE 140 Ca 0.28 -0.75 -0.17 0.00 -0.26 0.00 0.00 60.65 59.74 3dxj s ILE 140 Cb -0.10 -3.23 0.06 0.00 1.25 0.00 0.00 42.46 40.44 3dxj s ILE 140 CO 0.20 -0.13 0.85 0.00 0.24 0.00 0.00 174.94 176.09 3dxj n HIS 141 N -2.02 -1.83 -2.78 1.37 1.44 0.27 -4.71 115.22 106.98 3dxj n HIS 141 Ca 0.04 -1.49 -0.42 0.00 -2.01 0.00 0.00 57.72 53.84 3dxj n HIS 141 Cb 0.59 0.74 -0.04 0.00 0.12 0.00 0.00 29.99 31.39 3dxj n HIS 141 CO 0.00 0.00 0.00 0.50 -2.81 0.00 0.00 176.34 174.03 3dxj s ARG 142 N -2.07 3.15 0.23 -1.40 3.52 -1.26 -0.18 118.95 120.94 3dxj s ARG 142 Ca 0.18 -0.63 -0.28 0.00 -0.13 0.00 0.00 55.73 54.87 3dxj s ARG 142 Cb -0.04 -4.20 -0.16 0.00 -1.56 0.00 0.00 34.95 28.99 3dxj s ARG 142 CO 0.08 -1.88 0.70 -1.13 -0.81 0.00 0.00 175.30 172.27 3dxj n SER 143 N 8.12 -0.33 -4.62 -2.12 3.41 -1.13 -4.77 113.62 112.19 3dxj n SER 143 Ca -0.02 1.15 -0.43 0.00 -0.26 0.00 0.00 58.87 59.31 3dxj n SER 143 Cb 0.46 -1.07 -0.03 0.00 -0.26 0.00 0.00 64.21 63.32 3dxj n SER 143 CO 0.00 0.00 0.00 -2.84 -0.16 0.00 0.00 175.04 172.04 3dxj s PRO 144 N -1.17 3.63 0.00 4.33 0.02 -1.26 -4.89 135.00 135.67 3dxj s PRO 144 Ca 0.63 1.54 0.00 0.00 0.02 0.00 0.00 61.00 63.19 3dxj s PRO 144 Cb -0.85 -4.09 0.00 0.00 0.02 0.00 0.00 34.50 29.58 3dxj s PRO 144 CO 0.57 -1.49 0.00 0.41 -0.33 0.00 0.00 177.00 176.16 3dxj n GLY 145 N 4.94 1.33 3.61 0.52 0.00 -1.25 -2.44 105.19 111.91 3dxj n GLY 145 Ca 0.20 -0.68 -0.34 0.00 0.00 0.00 0.00 46.02 45.20 3dxj n GLY 145 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dxj s VAL 146 N -2.31 4.03 0.11 1.61 1.01 -1.26 -2.52 120.40 121.06 3dxj s VAL 146 Ca 0.00 -0.35 -0.02 0.00 0.00 0.00 0.00 61.98 61.62 3dxj s VAL 146 Cb 0.00 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 3dxj s VAL 146 CO 0.00 0.58 0.05 -0.31 0.00 0.00 0.00 175.10 175.42 3dxj s TYR 147 N -0.62 0.71 -0.36 5.22 1.51 -0.11 -4.84 117.35 118.85 3dxj s TYR 147 Ca 0.10 -1.13 0.00 0.00 -1.01 0.00 0.00 57.07 55.03 3dxj s TYR 147 Cb -0.12 -0.41 0.12 0.00 -0.11 0.00 0.00 41.96 41.44 3dxj s TYR 147 CO 0.02 -0.49 0.18 -0.06 -1.11 0.00 0.00 175.55 174.08 3dxj s PHE 148 N -4.00 1.42 -0.14 2.71 0.40 -1.26 -0.23 117.98 116.87 3dxj s PHE 148 Ca 0.18 -1.85 -0.19 0.00 -0.60 0.00 0.00 56.93 54.47 3dxj s PHE 148 Cb 0.07 -1.50 -0.04 0.00 0.51 0.00 0.00 43.02 42.07 3dxj s PHE 148 CO -0.02 -0.83 0.52 -0.08 0.70 0.00 0.00 175.22 175.51 3dxj s THR 149 N 1.11 5.14 -0.23 0.64 -1.32 0.12 -3.47 115.64 117.63 3dxj s THR 149 Ca 0.14 1.01 -0.34 0.00 -1.21 0.00 0.00 61.69 61.29 3dxj s THR 149 Cb -0.21 -3.85 -0.11 0.00 -1.51 0.00 0.00 72.50 66.82 3dxj s THR 149 CO -0.11 0.26 2.04 -2.65 -2.21 0.00 0.00 174.62 171.95 3dxj n PRO 150 N 4.08 1.63 -1.68 7.08 -0.02 -1.26 -0.54 135.00 144.28 3dxj n PRO 150 Ca -0.06 0.53 -0.59 0.00 -2.02 0.00 0.00 63.50 61.37 3dxj n PRO 150 Cb 0.51 -2.62 -0.08 0.00 -0.02 0.00 0.00 33.50 31.30 3dxj n PRO 150 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3dxj n ASP 151 N 8.57 1.84 0.00 2.55 -0.08 -0.99 -4.71 116.55 123.74 3dxj n ASP 151 Ca 0.31 1.11 0.00 0.00 -1.51 0.00 0.00 54.79 54.70 3dxj n ASP 151 Cb 0.28 -1.08 0.00 0.00 2.34 0.00 0.00 41.12 42.66 3dxj n ASP 151 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3dxj n PRO 152 N 4.28 0.00 0.00 -0.67 -0.04 -1.26 -4.20 135.00 133.11 3dxj n PRO 152 Ca 0.25 0.37 0.00 0.00 -0.04 0.00 0.00 63.50 64.08 3dxj n PRO 152 Cb 0.10 -1.34 0.00 0.00 -0.04 0.00 0.00 33.50 32.22 3dxj n PRO 152 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3dxj n ALA 153 N -1.61 0.00 -2.59 0.55 0.00 -1.26 -4.00 120.51 111.60 3dxj n ALA 153 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 3dxj n ALA 153 Cb 0.00 0.28 -0.03 0.00 0.00 0.00 0.00 19.45 19.70 3dxj n ALA 153 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3dxj s ARG 154 N -2.22 3.51 0.00 0.00 3.52 -1.26 -4.89 118.95 117.61 3dxj s ARG 154 Ca 0.00 0.21 0.00 0.00 -0.13 0.00 0.00 55.73 55.81 3dxj s ARG 154 Cb 0.00 -4.01 0.00 0.00 -1.56 0.00 0.00 34.95 29.38 3dxj s ARG 154 CO 0.00 -1.63 0.37 -2.30 -0.81 0.00 0.00 175.30 170.93 3dxj n PRO 155 N 8.27 0.58 -0.09 5.12 -0.02 -1.26 -3.27 135.00 144.33 3dxj n PRO 155 Ca 0.08 0.00 -0.23 0.00 -2.02 0.00 0.00 63.50 61.33 3dxj n PRO 155 Cb 0.49 -1.27 -0.12 0.00 -0.02 0.00 0.00 33.50 32.58 3dxj n PRO 155 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dxj n GLY 156 N 0.34 -0.56 0.00 -1.23 0.00 -1.26 -5.08 105.19 97.40 3dxj n GLY 156 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 3dxj n GLY 156 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3dxj n ARG 157 N -3.89 0.00 -3.58 1.61 3.00 -1.20 -5.11 116.66 107.49 3dxj n ARG 157 Ca -0.41 0.00 -0.12 0.00 -0.00 0.00 0.00 57.85 57.31 3dxj n ARG 157 Cb 0.90 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 33.31 3dxj n ARG 157 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.63 179.15 3dxj s TYR 158 N 0.59 -0.36 -0.11 -0.14 -0.85 -1.26 -2.34 117.35 112.89 3dxj s TYR 158 Ca 0.00 0.24 -0.12 0.00 -0.52 0.00 0.00 57.07 56.67 3dxj s TYR 158 Cb 0.00 0.34 -0.05 0.00 0.38 0.00 0.00 41.96 42.63 3dxj s TYR 158 CO 0.00 -0.69 0.28 0.96 -1.52 0.00 0.00 175.55 174.59 3dxj s ILE 159 N -3.08 5.28 0.22 -3.49 -4.36 0.30 -4.60 121.20 111.47 3dxj s ILE 159 Ca -0.02 0.54 0.05 0.00 -0.26 0.00 0.00 60.65 60.96 3dxj s ILE 159 Cb 0.00 -3.60 -0.03 0.00 1.25 0.00 0.00 42.46 40.08 3dxj s ILE 159 CO -0.07 0.49 0.28 0.00 0.24 0.00 0.00 174.94 175.88 3dxj s ALA 160 N -0.24 3.81 0.16 2.27 0.00 -1.10 0.11 121.76 126.78 3dxj s ALA 160 Ca 0.18 -1.25 -0.24 0.00 0.00 0.00 0.00 51.96 50.65 3dxj s ALA 160 Cb -0.14 -1.59 0.06 0.00 0.00 0.00 0.00 23.12 21.46 3dxj s ALA 160 CO 0.06 0.31 0.68 -1.54 0.00 0.00 0.00 175.76 175.28 3dxj s SER 161 N -3.75 -0.46 0.14 0.00 1.04 0.68 0.05 113.70 111.39 3dxj s SER 161 Ca 0.33 -0.13 0.07 0.00 0.48 0.00 0.00 55.95 56.70 3dxj s SER 161 Cb -0.09 0.59 -0.04 0.00 0.10 0.00 0.00 66.02 66.58 3dxj s SER 161 CO 0.27 -0.99 -0.15 -0.63 0.98 0.00 0.00 173.24 172.72 3dxj s ILE 162 N -3.67 1.48 -0.42 -1.02 1.01 0.18 -0.94 121.20 117.82 3dxj s ILE 162 Ca 0.04 -1.81 0.05 0.00 0.00 0.00 0.00 60.65 58.93 3dxj s ILE 162 Cb -0.02 -1.66 0.17 0.00 0.01 0.00 0.00 42.46 40.97 3dxj s ILE 162 CO -0.08 -0.41 0.49 -0.63 0.00 0.00 0.00 174.94 174.31 3dxj s ILE 163 N -2.19 -0.40 0.72 2.92 1.01 -1.05 -2.31 121.20 119.91 3dxj s ILE 163 Ca 0.12 -1.32 -0.11 0.00 0.00 0.00 0.00 60.65 59.33 3dxj s ILE 163 Cb -0.05 -0.57 0.03 0.00 0.01 0.00 0.00 42.46 41.88 3dxj s ILE 163 CO 0.04 -0.54 1.07 -2.16 0.00 0.00 0.00 174.94 173.35 3dxj s PRO 164 N 0.97 2.69 -0.31 2.79 0.04 -1.22 -3.86 135.00 136.10 3dxj s PRO 164 Ca 0.24 0.89 0.09 0.00 0.04 0.00 0.00 61.00 62.26 3dxj s PRO 164 Cb -0.05 -1.97 0.54 0.00 0.04 0.00 0.00 34.50 33.06 3dxj s PRO 164 CO -0.08 -1.25 1.54 1.28 0.04 0.00 0.00 177.00 178.53 3dxj n LEU 165 N -3.22 4.57 -4.82 -3.56 4.77 -1.23 -4.70 117.00 108.80 3dxj n LEU 165 Ca 0.07 -3.69 -0.29 0.00 -0.03 0.00 0.00 56.01 52.07 3dxj n LEU 165 Cb 0.54 -0.66 0.10 0.00 -2.33 0.00 0.00 43.42 41.07 3dxj n LEU 165 CO 0.56 1.18 0.73 -2.16 -1.33 0.00 0.00 177.39 176.36 3dxj s PRO 166 N -3.22 1.84 0.37 3.23 0.04 -1.26 -4.89 135.00 131.11 3dxj s PRO 166 Ca 0.47 0.44 0.27 0.00 0.04 0.00 0.00 61.00 62.22 3dxj s PRO 166 Cb 0.41 -1.91 1.22 0.00 0.04 0.00 0.00 34.50 34.26 3dxj s PRO 166 CO 0.02 -1.74 1.82 -0.22 0.04 0.00 0.00 177.00 176.92 3dxj h LYS 167 N -1.17 0.00 -0.65 4.56 3.64 -1.95 -2.85 116.57 118.15 3dxj h LYS 167 Ca -0.48 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 58.60 3dxj h LYS 167 Cb 1.30 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 32.71 3dxj h LYS 167 CO 0.62 0.00 -1.11 0.54 -2.27 0.00 0.00 179.45 177.22 3dxj n ARG 168 N -2.50 1.72 -3.85 1.90 5.12 -1.26 -5.10 116.66 112.68 3dxj n ARG 168 Ca 0.01 -3.50 -0.21 0.00 -1.93 0.00 0.00 57.85 52.22 3dxj n ARG 168 Cb 0.20 -1.56 -0.03 0.00 -1.16 0.00 0.00 32.46 29.91 3dxj n ARG 168 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 3dxj s GLY 169 N -3.59 1.50 0.85 -0.13 0.00 -1.08 -4.76 107.32 100.12 3dxj s GLY 169 Ca 0.29 -1.45 -0.14 0.00 0.00 0.00 0.00 44.72 43.43 3dxj s GLY 169 CO -0.02 -1.42 0.57 -1.05 0.00 0.00 0.00 173.10 171.18 3dxj n PRO 170 N -1.39 -0.03 -3.01 2.90 -0.02 -1.25 -4.84 135.00 127.36 3dxj n PRO 170 Ca -0.05 0.04 -0.10 0.00 -2.02 0.00 0.00 63.50 61.38 3dxj n PRO 170 Cb 0.58 -1.93 -0.03 0.00 -0.02 0.00 0.00 33.50 32.10 3dxj n PRO 170 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 3dxj s TRP 171 N -2.20 -0.90 0.42 6.00 -0.11 -1.26 -3.40 118.94 117.49 3dxj s TRP 171 Ca 0.62 -0.89 -0.22 0.00 1.22 0.00 0.00 56.10 56.83 3dxj s TRP 171 Cb -0.27 -0.02 -0.10 0.00 -1.50 0.00 0.00 33.47 31.58 3dxj s TRP 171 CO 0.62 -1.14 0.99 0.42 -4.62 0.00 0.00 176.95 173.22 3dxj s ILE 172 N 0.86 4.08 -0.13 5.86 1.01 -0.98 -4.81 121.20 127.09 3dxj s ILE 172 Ca 0.28 1.41 -0.18 0.00 0.00 0.00 0.00 60.65 62.16 3dxj s ILE 172 Cb -0.01 -3.64 0.04 0.00 0.01 0.00 0.00 42.46 38.87 3dxj s ILE 172 CO -0.08 -0.17 0.46 -0.62 0.00 0.00 0.00 174.94 174.53 3dxj s ASP 173 N -1.92 -0.45 0.13 3.58 -1.08 -1.16 0.47 116.67 116.23 3dxj s ASP 173 Ca 0.61 0.74 0.05 0.00 -0.52 0.00 0.00 52.55 53.43 3dxj s ASP 173 Cb -0.15 0.77 -0.04 0.00 -1.46 0.00 0.00 42.92 42.05 3dxj s ASP 173 CO 0.19 -0.28 -0.13 -0.76 0.52 0.00 0.00 175.17 174.71 3dxj s LEU 174 N -0.28 2.43 0.00 -1.34 1.43 0.11 -1.68 118.68 119.35 3dxj s LEU 174 Ca -0.04 -0.86 -0.24 0.00 -1.03 0.00 0.00 54.13 51.96 3dxj s LEU 174 Cb -0.03 -0.49 0.08 0.00 0.03 0.00 0.00 46.19 45.78 3dxj s LEU 174 CO 0.03 -0.19 1.12 1.21 0.23 0.00 0.00 176.35 178.74 3dxj n GLU 175 N 0.36 0.44 -3.64 1.70 2.13 0.16 -2.69 120.64 119.09 3dxj n GLU 175 Ca -0.14 -1.15 -0.06 0.00 0.66 0.00 0.00 57.16 56.47 3dxj n GLU 175 Cb 0.58 1.66 -0.07 0.00 0.27 0.00 0.00 31.44 33.88 3dxj n GLU 175 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 3dxj s VAL 176 N -2.05 0.00 -0.57 6.31 -7.23 -1.26 -0.88 120.40 114.72 3dxj s VAL 176 Ca 0.25 0.00 0.06 0.00 -1.81 0.00 0.00 61.98 60.48 3dxj s VAL 176 Cb -0.02 -1.00 0.33 0.00 0.56 0.00 0.00 36.38 36.25 3dxj s VAL 176 CO 0.03 0.00 0.91 -0.62 -0.31 0.00 0.00 175.10 175.11 3dxj n GLU 177 N 1.86 2.98 -0.42 4.82 1.02 -1.25 -4.95 120.64 124.70 3dxj n GLU 177 Ca -0.11 -4.72 0.32 0.00 -0.02 0.00 0.00 57.16 52.63 3dxj n GLU 177 Cb 0.56 -2.19 0.49 0.00 -0.02 0.00 0.00 31.44 30.29 3dxj n GLU 177 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 3dxj n PRO 178 N -0.10 0.00 -0.07 3.49 -0.04 -1.09 -4.04 135.00 133.15 3dxj n PRO 178 Ca 0.30 0.68 0.04 0.00 -0.04 0.00 0.00 63.50 64.49 3dxj n PRO 178 Cb 0.41 -1.58 0.08 0.00 -0.04 0.00 0.00 33.50 32.38 3dxj n PRO 178 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 3dxj n ASN 179 N -3.13 0.01 0.00 3.54 4.05 -1.26 -2.76 115.26 115.71 3dxj n ASN 179 Ca 0.27 0.35 0.00 0.00 0.45 0.00 0.00 54.58 55.65 3dxj n ASN 179 Cb 1.25 -0.14 0.00 0.00 1.23 0.00 0.00 39.78 42.11 3dxj n ASN 179 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3dxj n GLY 180 N -1.08 -0.09 3.55 8.20 0.00 -1.26 -4.27 105.19 110.24 3dxj n GLY 180 Ca 0.06 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.63 3dxj n GLY 180 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3dxj n VAL 181 N -2.21 0.29 -3.14 1.61 0.31 -1.18 -3.99 118.33 110.02 3dxj n VAL 181 Ca 0.00 -0.41 -0.44 0.00 -0.01 0.00 0.00 64.34 63.48 3dxj n VAL 181 Cb 0.00 -2.30 0.00 0.00 -0.91 0.00 0.00 33.84 30.64 3dxj n VAL 181 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3dxj n VAL 182 N 7.61 4.75 -1.53 2.52 0.31 -1.19 -2.67 118.33 128.13 3dxj n VAL 182 Ca 0.34 -5.41 -0.34 0.00 -0.01 0.00 0.00 64.34 58.92 3dxj n VAL 182 Cb 0.38 -2.42 -0.10 0.00 -0.91 0.00 0.00 33.84 30.80 3dxj n VAL 182 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3dxj n SER 183 N 2.69 1.12 -4.10 4.52 7.64 -0.06 -0.79 113.62 124.65 3dxj n SER 183 Ca 0.27 -0.38 -0.36 0.00 1.01 0.00 0.00 58.87 59.41 3dxj n SER 183 Cb 0.38 -1.24 -0.11 0.00 -1.01 0.00 0.00 64.21 62.22 3dxj n SER 183 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 3dxj s MET 184 N 8.50 2.23 0.03 1.43 0.00 0.73 0.37 119.30 132.59 3dxj s MET 184 Ca 1.15 -2.18 -0.28 0.00 0.00 0.00 0.00 55.69 54.38 3dxj s MET 184 Cb -0.63 -3.62 -0.04 0.00 0.00 0.00 0.00 34.83 30.53 3dxj s MET 184 CO 0.36 -1.12 0.88 0.15 0.00 0.00 0.00 175.02 175.29 3dxj s LYS 185 N 0.52 4.56 0.00 4.11 1.02 -0.68 -2.61 119.74 126.67 3dxj s LYS 185 Ca 0.13 1.26 0.00 0.00 0.02 0.00 0.00 55.97 57.38 3dxj s LYS 185 Cb -0.22 -3.41 0.00 0.00 -0.52 0.00 0.00 37.83 33.68 3dxj s LYS 185 CO -0.04 0.12 0.00 1.33 -0.92 0.00 0.00 175.35 175.84 3dxj n VAL 186 N 3.31 0.00 -0.09 3.17 0.24 -0.83 -3.01 118.33 121.11 3dxj n VAL 186 Ca 0.02 0.03 -0.20 0.00 -2.04 0.00 0.00 64.34 62.14 3dxj n VAL 186 Cb 0.50 -0.94 -0.07 0.00 -1.47 0.00 0.00 33.84 31.87 3dxj n VAL 186 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 3dxj n ASN 187 N -1.47 1.33 -0.06 -1.34 3.02 -1.26 -4.69 115.26 110.79 3dxj n ASN 187 Ca 0.00 0.22 0.00 0.00 -0.03 0.00 0.00 54.58 54.77 3dxj n ASN 187 Cb 0.00 -0.54 0.00 0.00 -0.61 0.00 0.00 39.78 38.63 3dxj n ASN 187 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3dxj n LYS 188 N -3.82 0.00 -3.80 3.52 4.76 -1.26 -5.10 118.16 112.47 3dxj n LYS 188 Ca -0.37 0.00 -0.24 0.00 -2.87 0.00 0.00 58.31 54.83 3dxj n LYS 188 Cb 0.76 0.00 -0.17 0.00 -1.84 0.00 0.00 35.03 33.78 3dxj n LYS 188 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3dxj s ARG 189 N 0.00 0.81 0.36 1.97 0.52 -1.26 -5.15 118.95 116.21 3dxj s ARG 189 Ca 0.00 -0.04 0.03 0.00 -0.52 0.00 0.00 55.73 55.19 3dxj s ARG 189 Cb 0.00 -1.26 0.03 0.00 0.52 0.00 0.00 34.95 34.24 3dxj s ARG 189 CO 0.00 -0.34 0.23 0.36 0.02 0.00 0.00 175.30 175.56 3dxj n LYS 190 N 5.09 0.99 -3.25 3.54 2.85 -1.26 -1.97 118.16 124.15 3dxj n LYS 190 Ca -0.08 -2.33 0.00 0.00 -1.05 0.00 0.00 58.31 54.85 3dxj n LYS 190 Cb 0.50 0.32 0.00 0.00 -0.65 0.00 0.00 35.03 35.19 3dxj n LYS 190 CO 0.00 0.00 0.00 1.97 -0.05 0.00 0.00 177.40 179.32 3dxj n PHE 191 N -1.27 0.00 -2.42 5.58 -1.74 -1.07 -4.92 117.46 111.62 3dxj n PHE 191 Ca -0.04 0.00 -0.41 0.00 -0.56 0.00 0.00 57.45 56.44 3dxj n PHE 191 Cb 0.42 0.00 -0.04 0.00 1.52 0.00 0.00 39.48 41.38 3dxj n PHE 191 CO 0.00 0.00 0.00 -2.14 -0.56 0.00 0.00 176.76 174.06 3dxj s PRO 192 N -1.10 4.52 0.49 3.97 0.02 -1.25 -0.19 135.00 141.46 3dxj s PRO 192 Ca 0.00 1.83 0.29 0.00 0.02 0.00 0.00 61.00 63.13 3dxj s PRO 192 Cb 0.00 -3.25 0.91 0.00 0.02 0.00 0.00 34.50 32.18 3dxj s PRO 192 CO 0.00 -0.05 1.81 1.25 -0.33 0.00 0.00 177.00 179.69 3dxj h LEU 193 N 5.26 0.00 -0.50 -5.54 5.85 -1.32 -3.29 115.31 115.76 3dxj h LEU 193 Ca -0.44 0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.35 3dxj h LEU 193 Cb 1.21 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.18 3dxj h LEU 193 CO 0.74 0.00 0.18 0.58 -0.34 0.00 0.00 178.44 179.60 3dxj h VAL 194 N 0.00 0.82 -0.96 1.05 2.07 -1.89 -1.57 116.25 115.77 3dxj h VAL 194 Ca 0.00 -0.12 0.27 0.00 0.82 0.00 0.00 66.70 67.67 3dxj h VAL 194 Cb 0.72 0.44 -0.14 0.00 -1.52 0.00 0.00 31.29 30.79 3dxj h VAL 194 CO 0.00 0.06 0.49 -0.07 0.02 0.00 0.00 177.57 178.07 3dxj h LEU 195 N 0.35 0.43 -0.65 2.57 3.38 -1.96 0.87 115.31 120.30 3dxj h LEU 195 Ca 0.24 0.17 -0.14 0.00 0.09 0.00 0.00 57.88 58.25 3dxj h LEU 195 Cb 0.26 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3dxj h LEU 195 CO -0.25 -0.06 -0.45 -0.07 0.09 0.00 0.00 178.44 177.70 3dxj h LEU 196 N 0.38 0.57 -1.51 1.67 3.38 -1.53 -3.16 115.31 115.11 3dxj h LEU 196 Ca 0.65 -0.27 0.16 0.00 0.09 0.00 0.00 57.88 58.51 3dxj h LEU 196 Cb 1.36 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.90 3dxj h LEU 196 CO -0.57 0.94 0.53 -0.07 0.09 0.00 0.00 178.44 179.36 3dxj h LEU 197 N 0.43 0.44 0.06 1.67 3.38 0.11 -1.86 115.31 119.54 3dxj h LEU 197 Ca 0.03 0.03 -0.28 0.00 0.09 0.00 0.00 57.88 57.75 3dxj h LEU 197 Cb 0.95 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 3dxj h LEU 197 CO 0.08 0.22 -1.45 -0.09 0.09 0.00 0.00 178.44 177.29 3dxj h ARG 198 N 0.47 0.13 -0.17 1.13 9.65 -1.21 -2.86 114.38 121.52 3dxj h ARG 198 Ca 0.40 -0.23 0.05 0.00 -1.10 0.00 0.00 59.98 59.10 3dxj h ARG 198 Cb 0.87 0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 29.53 3dxj h ARG 198 CO -0.14 0.95 0.18 0.28 2.80 0.00 0.00 179.97 184.04 3dxj h VAL 199 N 0.04 0.49 0.00 0.20 2.07 -1.33 1.74 116.25 119.45 3dxj h VAL 199 Ca -0.20 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.24 3dxj h VAL 199 Cb 1.96 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 32.57 3dxj h VAL 199 CO 0.13 0.00 -0.37 -0.07 0.02 0.00 0.00 177.57 177.29 3dxj h LEU 200 N 0.00 0.00 0.00 2.57 3.38 -1.43 -3.42 115.31 116.41 3dxj h LEU 200 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3dxj h LEU 200 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3dxj h LEU 200 CO -0.00 0.37 0.00 0.61 0.09 0.00 0.00 178.44 179.51 3dxj n GLY 201 N -0.02 1.29 3.18 0.83 0.00 0.59 -4.60 105.19 106.47 3dxj n GLY 201 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 3dxj n GLY 201 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dxj s TYR 202 N -2.00 1.95 0.13 1.61 2.02 -1.09 -5.00 117.35 114.97 3dxj s TYR 202 Ca 0.00 -0.55 0.02 0.00 -0.37 0.00 0.00 57.07 56.17 3dxj s TYR 202 Cb 0.00 -1.29 0.02 0.00 -0.40 0.00 0.00 41.96 40.29 3dxj s TYR 202 CO 0.00 -0.17 0.17 -0.40 -1.57 0.00 0.00 175.55 173.58 3dxj n ASP 203 N 3.02 0.62 -0.31 2.29 5.68 -1.26 -1.90 116.55 124.69 3dxj n ASP 203 Ca -0.18 -1.37 0.09 0.00 -0.50 0.00 0.00 54.79 52.84 3dxj n ASP 203 Cb 0.53 -0.08 0.30 0.00 -1.14 0.00 0.00 41.12 40.72 3dxj n ASP 203 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 3dxj h GLN 204 N 0.00 0.84 0.00 0.11 4.20 -1.91 -1.45 115.11 116.89 3dxj h GLN 204 Ca -0.07 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.59 3dxj h GLN 204 Cb 0.29 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.88 3dxj h GLN 204 CO 0.09 0.55 0.00 -1.91 -0.67 0.00 0.00 178.83 176.90 3dxj n GLU 205 N -4.59 0.00 -0.09 1.46 2.13 -1.26 -0.23 120.64 118.07 3dxj n GLU 205 Ca 0.18 0.38 0.21 0.00 0.66 0.00 0.00 57.16 58.59 3dxj n GLU 205 Cb 0.39 -1.36 0.65 0.00 0.27 0.00 0.00 31.44 31.39 3dxj n GLU 205 CO 0.00 0.00 0.00 1.79 -0.41 0.00 0.00 177.13 178.51 3dxj h THR 206 N 0.00 0.71 0.00 6.31 1.35 -1.94 -2.95 112.91 116.40 3dxj h THR 206 Ca 0.00 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.82 3dxj h THR 206 Cb 0.00 0.58 0.00 0.00 -1.73 0.00 0.00 68.15 67.00 3dxj h THR 206 CO 0.00 0.02 0.00 0.18 -0.25 0.00 0.00 175.52 175.47 3dxj n LEU 207 N -4.39 0.00 -0.52 3.87 4.77 -0.55 -4.29 117.00 115.89 3dxj n LEU 207 Ca 0.13 0.00 0.42 0.00 -0.03 0.00 0.00 56.01 56.53 3dxj n LEU 207 Cb 0.67 0.00 0.71 0.00 -2.33 0.00 0.00 43.42 42.47 3dxj n LEU 207 CO 0.36 0.00 1.31 0.00 -1.33 0.00 0.00 177.39 177.73 3dxj h ALA 208 N -2.00 3.09 -0.01 -1.18 0.00 -0.75 0.16 119.26 118.57 3dxj h ALA 208 Ca 0.00 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3dxj h ALA 208 Cb 0.00 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3dxj h ALA 208 CO 0.00 -1.72 -0.24 0.00 0.00 0.00 0.00 179.25 177.29 3dxj h ARG 209 N 0.03 0.19 0.10 0.00 -0.00 -0.49 0.23 114.38 114.45 3dxj h ARG 209 Ca 0.86 -0.19 -0.26 0.00 -0.50 0.00 0.00 59.98 59.90 3dxj h ARG 209 Cb 2.97 0.05 -0.00 0.00 0.00 0.00 0.00 29.97 32.99 3dxj h ARG 209 CO -0.31 0.90 -1.18 0.93 0.00 0.00 0.00 179.97 180.31 3dxj h GLU 210 N -0.45 0.24 0.00 0.04 5.08 -1.11 -3.36 114.58 115.02 3dxj h GLU 210 Ca -0.03 -0.39 -0.17 0.00 -1.00 0.00 0.00 59.36 57.77 3dxj h GLU 210 Cb 0.97 0.14 -0.03 0.00 0.50 0.00 0.00 28.75 30.34 3dxj h GLU 210 CO 0.05 1.17 -1.03 1.25 -1.00 0.00 0.00 179.01 179.46 3dxj h LEU 211 N 0.07 0.00 -0.92 1.33 5.85 -0.89 -3.36 115.31 117.40 3dxj h LEU 211 Ca -0.11 -0.42 0.00 0.00 0.84 0.00 0.00 57.88 58.19 3dxj h LEU 211 Cb 1.90 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.93 3dxj h LEU 211 CO 0.19 1.30 0.00 0.61 -0.34 0.00 0.00 178.44 180.20 3dxj n GLY 212 N 1.48 0.00 0.00 3.75 0.00 0.82 -3.22 105.19 108.03 3dxj n GLY 212 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.76 3dxj n GLY 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dxj n ALA 213 N 0.35 0.00 0.18 4.61 0.00 -1.26 -2.08 120.51 122.31 3dxj n ALA 213 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 3dxj n ALA 213 Cb 0.00 0.00 0.76 0.00 0.00 0.00 0.00 19.45 20.21 3dxj n ALA 213 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.50 177.60 3dxj h TYR 214 N 0.00 0.00 -1.50 0.00 -0.00 -1.85 0.48 116.97 114.10 3dxj h TYR 214 Ca 0.00 0.00 -0.68 0.00 0.00 0.00 0.00 58.73 58.05 3dxj h TYR 214 Cb 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 36.73 36.53 3dxj h TYR 214 CO 0.00 0.00 1.22 0.41 -0.00 0.00 0.00 178.16 179.79 3dxj n GLY 215 N -1.49 5.16 0.25 0.10 0.00 -1.21 -4.67 105.19 103.34 3dxj n GLY 215 Ca 0.02 -2.18 0.11 0.00 0.00 0.00 0.00 46.02 43.97 3dxj n GLY 215 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3dxj h GLU 216 N 3.68 0.00 -0.66 1.61 9.09 -0.32 0.53 114.58 128.51 3dxj h GLU 216 Ca 0.54 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.95 3dxj h GLU 216 Cb 0.39 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.49 3dxj h GLU 216 CO 1.21 0.00 0.00 1.28 0.05 0.00 0.00 179.01 181.55 3dxj n LEU 217 N -2.48 1.66 -0.30 3.06 4.77 -1.26 -4.25 117.00 118.20 3dxj n LEU 217 Ca -0.01 -0.84 0.00 0.00 -0.03 0.00 0.00 56.01 55.13 3dxj n LEU 217 Cb 0.34 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 3dxj n LEU 217 CO 0.10 0.30 0.18 0.55 -1.33 0.00 0.00 177.39 177.18 3dxj n VAL 218 N 0.09 0.00 0.20 4.08 3.14 0.19 -2.13 118.33 123.90 3dxj n VAL 218 Ca 0.06 0.00 0.09 0.00 -2.96 0.00 0.00 64.34 61.53 3dxj n VAL 218 Cb 0.35 -0.25 0.23 0.00 -1.06 0.00 0.00 33.84 33.11 3dxj n VAL 218 CO 0.00 0.00 0.00 1.56 -6.46 0.00 0.00 176.83 171.93 3dxj h GLN 219 N 0.29 0.00 -0.16 1.45 4.20 -1.84 -1.87 115.11 117.18 3dxj h GLN 219 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3dxj h GLN 219 Cb 0.16 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.94 3dxj h GLN 219 CO 0.00 0.20 0.00 0.41 -0.67 0.00 0.00 178.83 178.77 3dxj n GLY 220 N 0.86 -0.25 0.32 3.46 0.00 -0.90 -3.92 105.19 104.76 3dxj n GLY 220 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3dxj n GLY 220 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3dxj n LEU 221 N -0.33 0.00 -4.54 0.99 7.94 -0.77 -3.20 117.00 117.09 3dxj n LEU 221 Ca 0.00 0.00 -0.33 0.00 -1.11 0.00 0.00 56.01 54.57 3dxj n LEU 221 Cb 0.04 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 43.92 3dxj n LEU 221 CO 0.00 -0.10 1.96 0.23 -1.11 0.00 0.00 177.39 178.36 3dxj n MET 222 N -1.31 0.72 0.00 1.96 2.81 -0.80 -4.57 117.12 115.93 3dxj n MET 222 Ca 0.00 -0.13 0.00 0.00 -1.81 0.00 0.00 57.70 55.76 3dxj n MET 222 Cb 0.00 -2.99 0.00 0.00 -0.71 0.00 0.00 33.22 29.52 3dxj n MET 222 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3dxj n ASP 223 N 14.83 0.90 -3.56 7.83 8.00 -1.26 -4.89 116.55 138.40 3dxj n ASP 223 Ca 0.46 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.68 3dxj n ASP 223 Cb 0.41 0.15 -0.11 0.00 -0.02 0.00 0.00 41.12 41.55 3dxj n ASP 223 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3dxj s GLU 224 N -0.65 1.23 0.25 -1.24 0.41 -1.26 -4.96 118.70 112.47 3dxj s GLU 224 Ca 0.00 -2.22 0.04 0.00 -0.41 0.00 0.00 54.97 52.39 3dxj s GLU 224 Cb 0.00 -1.97 0.30 0.00 -1.78 0.00 0.00 34.13 30.69 3dxj s GLU 224 CO 0.00 -1.30 1.60 0.66 -0.49 0.00 0.00 175.26 175.73 3dxj h SER 225 N 6.00 0.31 -0.74 -0.19 4.64 -1.93 -2.94 113.55 118.70 3dxj h SER 225 Ca 0.16 -0.16 -0.06 0.00 -0.47 0.00 0.00 61.79 61.27 3dxj h SER 225 Cb 0.89 -0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 62.86 3dxj h SER 225 CO 0.44 0.78 0.23 -0.37 -0.87 0.00 0.00 176.83 177.04 3dxj h VAL 226 N 0.22 1.26 0.00 0.95 -1.51 -2.03 0.46 116.25 115.61 3dxj h VAL 226 Ca 0.01 -0.91 0.00 0.00 -1.23 0.00 0.00 66.70 64.56 3dxj h VAL 226 Cb 1.00 0.45 0.00 0.00 -2.13 0.00 0.00 31.29 30.61 3dxj h VAL 226 CO 0.08 0.36 0.00 -0.26 -1.23 0.00 0.00 177.57 176.52 3dxj h PHE 227 N 1.10 0.00 -2.31 5.19 -1.00 -1.96 -3.17 116.94 114.79 3dxj h PHE 227 Ca 0.24 0.00 -0.71 0.00 2.81 0.00 0.00 57.97 60.31 3dxj h PHE 227 Cb 0.31 0.00 -0.34 0.00 3.61 0.00 0.00 35.95 39.53 3dxj h PHE 227 CO 0.03 0.00 0.22 0.00 -1.61 0.00 0.00 178.31 176.95 3dxj n ALA 228 N -1.86 5.31 0.00 2.45 0.00 0.16 -4.17 120.51 122.41 3dxj n ALA 228 Ca 0.00 -4.68 0.00 0.00 0.00 0.00 0.00 53.44 48.76 3dxj n ALA 228 Cb 0.16 -1.52 0.00 0.00 0.00 0.00 0.00 19.45 18.09 3dxj n ALA 228 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3dxj n MET 229 N 0.02 0.00 -3.60 0.00 2.81 -1.20 -4.55 117.12 110.61 3dxj n MET 229 Ca 0.38 0.00 -0.29 0.00 -1.81 0.00 0.00 57.70 55.97 3dxj n MET 229 Cb 0.33 -0.44 -0.13 0.00 -0.71 0.00 0.00 33.22 32.27 3dxj n MET 229 CO 0.00 0.00 0.00 -0.98 1.51 0.00 0.00 175.97 176.50 3dxj s ARG 230 N -1.00 0.83 0.01 0.03 3.03 -1.26 -5.02 118.95 115.57 3dxj s ARG 230 Ca 0.00 -1.52 -0.00 0.00 2.03 0.00 0.00 55.73 56.24 3dxj s ARG 230 Cb 0.00 -1.78 0.01 0.00 -1.03 0.00 0.00 34.95 32.16 3dxj s ARG 230 CO 0.00 -1.15 0.04 -2.30 -1.13 0.00 0.00 175.30 170.76 3dxj n PRO 231 N 4.01 -0.00 -0.33 3.89 -0.02 -1.26 0.52 135.00 141.80 3dxj n PRO 231 Ca 0.08 0.04 0.17 0.00 -2.02 0.00 0.00 63.50 61.77 3dxj n PRO 231 Cb 0.37 -0.07 0.39 0.00 -0.02 0.00 0.00 33.50 34.18 3dxj n PRO 231 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3dxj h GLU 232 N 0.00 0.59 0.32 -0.52 4.81 -1.94 0.13 114.58 117.97 3dxj h GLU 232 Ca 0.01 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 3dxj h GLU 232 Cb 0.02 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.27 3dxj h GLU 232 CO -0.03 0.39 -0.16 1.05 -0.73 0.00 0.00 179.01 179.54 3dxj h GLU 233 N 0.61 -0.42 -0.91 1.92 -0.00 -0.28 -1.73 114.58 113.77 3dxj h GLU 233 Ca 0.58 0.03 0.18 0.00 -0.00 0.00 0.00 59.36 60.15 3dxj h GLU 233 Cb 1.12 0.10 -0.11 0.00 -0.00 0.00 0.00 28.75 29.86 3dxj h GLU 233 CO -0.36 -0.28 0.47 0.00 -0.00 0.00 0.00 179.01 178.85 3dxj h ALA 234 N -1.57 1.44 -0.41 1.06 0.00 -1.70 -1.79 119.26 116.29 3dxj h ALA 234 Ca -0.04 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3dxj h ALA 234 Cb 0.33 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3dxj h ALA 234 CO 0.07 -0.16 0.00 -0.11 0.00 0.00 0.00 179.25 179.05 3dxj n LEU 235 N -4.89 0.00 0.07 0.00 0.00 0.44 -1.51 117.00 111.11 3dxj n LEU 235 Ca 0.20 0.93 -0.12 0.00 0.00 0.00 0.00 56.01 57.03 3dxj n LEU 235 Cb 0.54 -0.43 -0.07 0.00 0.00 0.00 0.00 43.42 43.46 3dxj n LEU 235 CO 0.19 -0.43 0.51 0.40 0.00 0.00 0.00 177.39 178.05 3dxj h ILE 236 N 0.00 0.00 -0.72 1.96 2.04 -0.56 -3.02 117.51 117.22 3dxj h ILE 236 Ca 0.00 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.95 3dxj h ILE 236 Cb 0.00 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 35.98 3dxj h ILE 236 CO 0.00 0.00 -0.34 0.54 0.00 0.00 0.00 178.15 178.35 3dxj n ARG 237 N -4.65 -0.23 -0.48 2.37 1.74 -0.74 0.16 116.66 114.83 3dxj n ARG 237 Ca -0.06 1.10 0.39 0.00 -0.77 0.00 0.00 57.85 58.51 3dxj n ARG 237 Cb 0.30 -1.62 0.68 0.00 -1.02 0.00 0.00 32.46 30.80 3dxj n ARG 237 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3dxj h LEU 238 N 0.00 0.19 -1.12 0.55 3.38 -1.13 1.40 115.31 118.58 3dxj h LEU 238 Ca 0.20 0.10 0.25 0.00 0.09 0.00 0.00 57.88 58.52 3dxj h LEU 238 Cb 0.38 0.09 -0.12 0.00 0.09 0.00 0.00 40.66 41.10 3dxj h LEU 238 CO -0.70 -0.13 0.62 0.15 0.09 0.00 0.00 178.44 178.47 3dxj h PHE 239 N 0.07 0.90 -0.64 1.13 3.04 -0.42 0.51 116.94 121.54 3dxj h PHE 239 Ca 0.82 0.03 0.12 0.00 3.98 0.00 0.00 57.97 62.92 3dxj h PHE 239 Cb 2.74 -0.26 -0.12 0.00 2.56 0.00 0.00 35.95 40.87 3dxj h PHE 239 CO -0.00 0.06 -0.18 2.41 -2.02 0.00 0.00 178.31 178.58 3dxj n THR 240 N -4.80 -0.28 0.00 4.41 -1.04 0.48 0.30 114.28 113.34 3dxj n THR 240 Ca 0.27 1.48 0.00 0.00 -2.04 0.00 0.00 64.05 63.76 3dxj n THR 240 Cb 0.80 -2.03 0.00 0.00 -1.82 0.00 0.00 70.33 67.27 3dxj n THR 240 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3dxj n LEU 241 N -5.03 0.00 -4.30 -4.42 4.77 0.18 -4.38 117.00 103.81 3dxj n LEU 241 Ca 0.10 0.11 -0.24 0.00 -0.03 0.00 0.00 56.01 55.94 3dxj n LEU 241 Cb 0.31 -0.11 -0.12 0.00 -2.33 0.00 0.00 43.42 41.17 3dxj n LEU 241 CO -0.08 -0.11 -0.52 -0.76 -1.33 0.00 0.00 177.39 174.59 3dxj s LEU 242 N -1.96 2.32 0.24 2.23 1.43 0.88 -5.04 118.68 118.78 3dxj s LEU 242 Ca 0.00 -0.72 0.01 0.00 -1.03 0.00 0.00 54.13 52.39 3dxj s LEU 242 Cb 0.00 -0.91 -0.04 0.00 0.03 0.00 0.00 46.19 45.27 3dxj s LEU 242 CO 0.00 0.06 0.41 -0.60 0.23 0.00 0.00 176.35 176.45 3dxj s ARG 243 N -2.05 3.49 -0.16 1.70 3.52 -1.26 -4.65 118.95 119.53 3dxj s ARG 243 Ca 0.09 -0.46 -0.12 0.00 -0.13 0.00 0.00 55.73 55.10 3dxj s ARG 243 Cb -0.09 -2.82 -0.05 0.00 -1.56 0.00 0.00 34.95 30.43 3dxj s ARG 243 CO 0.05 0.36 -0.22 -2.30 -0.81 0.00 0.00 175.30 172.38 3dxj n PRO 244 N -1.09 0.48 -3.23 5.12 -0.02 -1.26 -5.00 135.00 129.99 3dxj n PRO 244 Ca -0.06 0.43 0.04 0.00 -2.02 0.00 0.00 63.50 61.89 3dxj n PRO 244 Cb 0.55 -1.62 -0.03 0.00 -0.02 0.00 0.00 33.50 32.38 3dxj n PRO 244 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3dxj s GLY 245 N -4.48 -0.03 0.03 -1.23 0.00 -1.26 -5.11 107.32 95.23 3dxj s GLY 245 Ca -0.20 3.23 -0.00 0.00 0.00 0.00 0.00 44.72 47.75 3dxj s GLY 245 CO 0.30 3.50 -0.03 -0.35 0.00 0.00 0.00 173.10 176.52 3dxj s ASP 246 N 2.47 0.32 0.53 1.64 -1.08 -1.26 -5.16 116.67 114.13 3dxj s ASP 246 Ca -0.02 -0.66 -0.21 0.00 -0.52 0.00 0.00 52.55 51.14 3dxj s ASP 246 Cb -0.05 0.13 -0.06 0.00 -1.46 0.00 0.00 42.92 41.48 3dxj s ASP 246 CO -0.14 -0.40 1.18 -2.16 0.52 0.00 0.00 175.17 174.16 3dxj s PRO 247 N -2.28 3.39 0.00 4.34 0.04 -1.26 -4.89 135.00 134.35 3dxj s PRO 247 Ca -0.08 1.76 0.00 0.00 0.04 0.00 0.00 61.00 62.71 3dxj s PRO 247 Cb -0.04 -2.14 0.00 0.00 0.04 0.00 0.00 34.50 32.36 3dxj s PRO 247 CO -0.04 -0.85 0.09 -2.30 0.04 0.00 0.00 177.00 173.93 3dxj n PRO 248 N -1.07 0.12 0.07 0.56 -0.02 -1.26 -4.04 135.00 129.35 3dxj n PRO 248 Ca 0.11 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.46 3dxj n PRO 248 Cb 0.49 -1.24 -0.08 0.00 -0.02 0.00 0.00 33.50 32.65 3dxj n PRO 248 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3dxj h LYS 249 N 1.31 -0.22 -4.21 -0.52 3.64 -2.04 -3.35 116.57 111.19 3dxj h LYS 249 Ca 0.00 0.01 -0.41 0.00 -1.27 0.00 0.00 60.65 58.99 3dxj h LYS 249 Cb 0.09 0.05 0.05 0.00 -0.41 0.00 0.00 32.23 32.01 3dxj h LYS 249 CO 0.00 0.19 1.86 0.54 -2.27 0.00 0.00 179.45 179.78 3dxj n ARG 250 N -4.97 0.96 0.19 1.90 1.74 -1.26 -4.67 116.66 110.55 3dxj n ARG 250 Ca -0.08 -1.23 0.01 0.00 -0.77 0.00 0.00 57.85 55.78 3dxj n ARG 250 Cb 0.26 -2.48 0.08 0.00 -1.02 0.00 0.00 32.46 29.30 3dxj n ARG 250 CO 0.00 0.00 0.00 0.38 -1.52 0.00 0.00 177.63 176.49 3dxj h ASP 251 N 7.97 0.00 -0.39 0.55 3.04 -1.93 -0.58 116.42 125.08 3dxj h ASP 251 Ca 0.30 0.00 -0.28 0.00 -3.24 0.00 0.00 57.03 53.82 3dxj h ASP 251 Cb 0.38 0.00 -0.23 0.00 -1.04 0.00 0.00 39.33 38.44 3dxj h ASP 251 CO 1.62 0.00 -0.64 0.29 -2.04 0.00 0.00 179.24 178.46 3dxj n LYS 252 N -1.90 1.15 0.00 4.15 5.02 -1.26 -4.99 118.16 120.33 3dxj n LYS 252 Ca -0.00 -2.31 0.00 0.00 -2.02 0.00 0.00 58.31 53.97 3dxj n LYS 252 Cb 0.70 -0.59 0.00 0.00 -0.02 0.00 0.00 35.03 35.12 3dxj n LYS 252 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3dxj n ALA 253 N -0.28 -0.06 1.89 7.82 0.00 -0.23 -3.71 120.51 125.95 3dxj n ALA 253 Ca 0.03 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.63 3dxj n ALA 253 Cb 0.81 0.00 0.89 0.00 0.00 0.00 0.00 19.45 21.16 3dxj n ALA 253 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3dxj n VAL 254 N -0.72 0.00 0.00 0.00 0.24 -1.26 -4.25 118.33 112.34 3dxj n VAL 254 Ca 0.00 -0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.28 3dxj n VAL 254 Cb 0.00 -0.42 0.00 0.00 -1.47 0.00 0.00 33.84 31.95 3dxj n VAL 254 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3dxj n ALA 255 N -0.95 -0.15 -0.02 2.33 0.00 -1.25 -2.84 120.51 117.64 3dxj n ALA 255 Ca 0.22 0.00 0.23 0.00 0.00 0.00 0.00 53.44 53.89 3dxj n ALA 255 Cb 0.14 0.00 0.61 0.00 0.00 0.00 0.00 19.45 20.21 3dxj n ALA 255 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 3dxj h TYR 256 N 0.00 0.00 -0.18 0.00 0.99 -1.74 0.74 116.97 116.78 3dxj h TYR 256 Ca 0.00 0.00 -0.18 0.00 2.00 0.00 0.00 58.73 60.55 3dxj h TYR 256 Cb 0.00 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 37.73 3dxj h TYR 256 CO 0.07 0.00 -0.62 0.28 -0.00 0.00 0.00 178.16 177.89 3dxj h VAL 257 N 0.00 1.32 -0.97 -2.88 2.07 -1.74 -3.00 116.25 111.05 3dxj h VAL 257 Ca 0.30 -1.88 -0.62 0.00 0.82 0.00 0.00 66.70 65.32 3dxj h VAL 257 Cb 1.83 1.84 -0.30 0.00 -1.52 0.00 0.00 31.29 33.15 3dxj h VAL 257 CO -0.00 0.59 0.72 -1.22 0.02 0.00 0.00 177.57 177.67 3dxj n TYR 258 N -3.94 3.11 0.00 1.57 0.53 0.25 -3.65 117.16 115.04 3dxj n TYR 258 Ca -0.04 -2.66 0.00 0.00 -1.02 0.00 0.00 57.90 54.18 3dxj n TYR 258 Cb 0.65 -1.25 0.00 0.00 -1.03 0.00 0.00 39.34 37.71 3dxj n TYR 258 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3dxj n GLY 259 N -0.97 0.01 0.94 2.72 0.00 -1.01 -4.84 105.19 102.04 3dxj n GLY 259 Ca 0.60 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.68 3dxj n GLY 259 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3dxj n LEU 260 N -2.37 1.93 -4.84 0.99 7.94 -1.15 -0.69 117.00 118.81 3dxj n LEU 260 Ca 0.00 -3.03 -0.22 0.00 -1.11 0.00 0.00 56.01 51.66 3dxj n LEU 260 Cb 0.00 -0.30 -0.04 0.00 0.53 0.00 0.00 43.42 43.61 3dxj n LEU 260 CO 0.00 0.98 -0.14 -0.63 -1.11 0.00 0.00 177.39 176.50 3dxj s ILE 261 N -1.83 4.31 0.58 1.96 1.01 -1.24 -4.99 121.20 121.01 3dxj s ILE 261 Ca 0.35 -1.36 0.37 0.00 0.00 0.00 0.00 60.65 60.01 3dxj s ILE 261 Cb 0.36 -3.39 0.54 0.00 0.01 0.00 0.00 42.46 39.98 3dxj s ILE 261 CO -0.10 -0.31 1.50 0.00 0.00 0.00 0.00 174.94 176.02 3dxj h ALA 262 N 1.40 3.26 0.00 9.38 0.00 -1.96 -3.20 119.26 128.15 3dxj h ALA 262 Ca -0.48 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.38 3dxj h ALA 262 Cb 1.24 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 3dxj h ALA 262 CO 0.60 -1.90 -0.00 -0.44 0.00 0.00 0.00 179.25 177.51 3dxj h ASP 263 N 0.00 -0.00 -0.93 0.00 3.45 -1.86 -3.30 116.42 113.77 3dxj h ASP 263 Ca 0.64 0.00 0.13 0.00 0.43 0.00 0.00 57.03 58.23 3dxj h ASP 263 Cb 3.04 0.00 -0.09 0.00 -0.56 0.00 0.00 39.33 41.73 3dxj h ASP 263 CO -0.01 -0.00 0.56 1.55 -1.57 0.00 0.00 179.24 179.77 3dxj h PRO 264 N -0.00 0.81 -6.85 3.56 0.13 -1.79 -3.34 132.00 124.52 3dxj h PRO 264 Ca -0.00 -0.05 -0.53 0.00 -0.87 0.00 0.00 66.00 64.55 3dxj h PRO 264 Cb 0.00 -0.18 0.08 0.00 0.13 0.00 0.00 31.00 31.03 3dxj h PRO 264 CO -0.00 0.54 0.75 -0.98 -0.23 0.00 0.00 178.00 178.08 3dxj s ARG 265 N -5.96 4.22 -0.12 0.86 1.70 -1.24 -4.52 118.95 113.89 3dxj s ARG 265 Ca -0.12 2.41 -0.05 0.00 -0.47 0.00 0.00 55.73 57.50 3dxj s ARG 265 Cb 0.22 -3.04 -0.02 0.00 -0.57 0.00 0.00 34.95 31.54 3dxj s ARG 265 CO 0.80 -0.42 -0.09 0.00 -1.08 0.00 0.00 175.30 174.50 3dxj h ARG 266 N 3.93 0.00 -5.49 3.89 3.08 -1.88 -3.26 114.38 114.64 3dxj h ARG 266 Ca -0.48 0.00 -0.64 0.00 0.07 0.00 0.00 59.98 58.92 3dxj h ARG 266 Cb 1.23 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 31.19 3dxj h ARG 266 CO 0.70 0.00 -0.40 -0.47 -1.07 0.00 0.00 179.97 178.74 3dxj s TYR 267 N -1.89 1.61 -0.41 3.04 6.04 -1.26 -3.87 117.35 120.61 3dxj s TYR 267 Ca -0.08 -0.95 -0.24 0.00 0.04 0.00 0.00 57.07 55.84 3dxj s TYR 267 Cb 0.01 -1.73 0.02 0.00 -1.04 0.00 0.00 41.96 39.22 3dxj s TYR 267 CO 0.12 -0.16 0.81 -0.51 -1.54 0.00 0.00 175.55 174.27 3dxj s ASP 268 N -4.10 6.49 -0.44 4.32 -0.00 -1.26 -3.94 116.67 117.73 3dxj s ASP 268 Ca 0.15 0.15 -0.01 0.00 -0.00 0.00 0.00 52.55 52.84 3dxj s ASP 268 Cb -0.01 -2.40 0.00 0.00 -0.00 0.00 0.00 42.92 40.51 3dxj s ASP 268 CO 0.10 -0.86 0.14 -0.11 -0.00 0.00 0.00 175.17 174.44 3dxj n LEU 269 N 6.67 -1.74 0.00 1.23 7.94 -1.26 -4.28 117.00 125.56 3dxj n LEU 269 Ca 0.03 -0.07 0.00 0.00 -1.11 0.00 0.00 56.01 54.87 3dxj n LEU 269 Cb 0.48 -1.19 0.00 0.00 0.53 0.00 0.00 43.42 43.25 3dxj n LEU 269 CO 0.58 0.04 0.00 0.61 -1.11 0.00 0.00 177.39 177.51 3dxj n GLY 270 N -0.97 2.89 0.02 -3.96 0.00 -1.20 -4.80 105.19 97.17 3dxj n GLY 270 Ca -0.04 -0.75 0.01 0.00 0.00 0.00 0.00 46.02 45.24 3dxj n GLY 270 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dxj n GLU 271 N 0.00 -0.00 0.00 1.61 -0.58 -1.26 -0.14 120.64 120.27 3dxj n GLU 271 Ca 0.00 0.09 0.00 0.00 -0.42 0.00 0.00 57.16 56.83 3dxj n GLU 271 Cb 0.00 -0.14 0.00 0.00 -0.57 0.00 0.00 31.44 30.73 3dxj n GLU 271 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3dxj n ALA 272 N -3.77 0.00 1.42 0.62 0.00 -1.26 -4.26 120.51 113.27 3dxj n ALA 272 Ca 0.01 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.60 3dxj n ALA 272 Cb 0.04 0.00 0.70 0.00 0.00 0.00 0.00 19.45 20.19 3dxj n ALA 272 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dxj n GLY 273 N 0.00 -1.16 0.51 0.00 0.00 -1.02 -4.08 105.19 99.44 3dxj n GLY 273 Ca 0.00 -0.19 -0.18 0.00 0.00 0.00 0.00 46.02 45.65 3dxj n GLY 273 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3dxj h ARG 274 N 0.20 -0.98 -0.89 1.61 2.43 -0.72 1.32 114.38 117.35 3dxj h ARG 274 Ca 0.00 0.07 0.18 0.00 -0.81 0.00 0.00 59.98 59.42 3dxj h ARG 274 Cb 0.31 0.22 -0.11 0.00 -0.42 0.00 0.00 29.97 29.97 3dxj h ARG 274 CO 0.00 -0.65 0.44 -0.92 -1.51 0.00 0.00 179.97 177.33 3dxj h TYR 275 N -1.01 0.76 0.00 2.20 3.20 -1.75 1.17 116.97 121.54 3dxj h TYR 275 Ca -0.06 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.84 3dxj h TYR 275 Cb 0.88 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.95 3dxj h TYR 275 CO -0.26 0.10 0.00 1.63 -1.64 0.00 0.00 178.16 177.98 3dxj n LYS 276 N -4.93 0.00 0.00 1.82 5.02 -0.29 -0.96 118.16 118.83 3dxj n LYS 276 Ca 0.20 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.49 3dxj n LYS 276 Cb 0.54 -0.46 0.00 0.00 -0.02 0.00 0.00 35.03 35.09 3dxj n LYS 276 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3dxj n ALA 277 N -3.00 0.00 -0.24 7.82 0.00 0.44 -0.03 120.51 125.51 3dxj n ALA 277 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 3dxj n ALA 277 Cb 0.00 0.27 -0.09 0.00 0.00 0.00 0.00 19.45 19.63 3dxj n ALA 277 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3dxj h GLU 278 N 0.00 -0.25 0.00 0.00 4.81 0.13 2.27 114.58 121.55 3dxj h GLU 278 Ca 0.00 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 3dxj h GLU 278 Cb 0.00 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.44 3dxj h GLU 278 CO 0.00 -0.16 0.00 -1.91 -0.73 0.00 0.00 179.01 176.21 3dxj n GLU 279 N -5.34 0.17 -0.15 1.92 2.13 -0.13 -0.72 120.64 118.52 3dxj n GLU 279 Ca -0.01 0.56 0.05 0.00 0.66 0.00 0.00 57.16 58.43 3dxj n GLU 279 Cb 0.32 -1.94 0.12 0.00 0.27 0.00 0.00 31.44 30.21 3dxj n GLU 279 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 3dxj n LYS 280 N -2.28 2.56 -1.01 5.31 5.02 0.22 -4.62 118.16 123.36 3dxj n LYS 280 Ca -0.00 -2.15 -0.01 0.00 -2.02 0.00 0.00 58.31 54.13 3dxj n LYS 280 Cb 0.11 -1.35 -0.02 0.00 -0.02 0.00 0.00 35.03 33.76 3dxj n LYS 280 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3dxj n LEU 281 N -0.46 0.02 0.00 -0.35 4.77 0.71 -4.92 117.00 116.77 3dxj n LEU 281 Ca 0.11 -1.68 0.00 0.00 -0.03 0.00 0.00 56.01 54.41 3dxj n LEU 281 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 3dxj n LEU 281 CO 0.05 0.86 0.00 0.61 -1.33 0.00 0.00 177.39 177.58 3dxj n GLY 282 N 0.18 0.69 0.00 -0.72 0.00 -0.21 -4.84 105.19 100.29 3dxj n GLY 282 Ca -0.07 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.30 3dxj n GLY 282 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3dxj n ILE 283 N 0.00 0.00 -0.06 -0.61 2.08 -1.24 -4.64 119.36 114.89 3dxj n ILE 283 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 3dxj n ILE 283 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.89 3dxj n ILE 283 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 3dxj n ARG 284 N 0.00 0.25 -1.52 0.38 1.74 -1.26 -4.27 116.66 111.98 3dxj n ARG 284 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3dxj n ARG 284 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 3dxj n ARG 284 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 3dxj n LEU 285 N 0.00 0.00 -4.48 0.55 -0.00 -1.26 -4.94 117.00 106.87 3dxj n LEU 285 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 56.01 55.58 3dxj n LEU 285 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.39 3dxj n LEU 285 CO 0.00 0.00 1.10 -0.44 -0.00 0.00 0.00 177.39 178.05 3dxj s SER 286 N -0.52 6.59 0.76 1.45 0.01 -1.26 -4.87 113.70 115.86 3dxj s SER 286 Ca 0.00 -1.89 0.00 0.00 1.31 0.00 0.00 55.95 55.37 3dxj s SER 286 Cb 0.00 -2.44 0.00 0.00 0.21 0.00 0.00 66.02 63.79 3dxj s SER 286 CO 0.00 -1.18 0.00 0.61 0.41 0.00 0.00 173.24 173.08 3dxj n GLY 287 N 5.84 1.58 0.51 3.44 0.00 -1.26 -3.71 105.19 111.59 3dxj n GLY 287 Ca 0.26 0.02 -0.17 0.00 0.00 0.00 0.00 46.02 46.13 3dxj n GLY 287 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3dxj n ARG 288 N 0.00 0.34 0.07 1.61 1.85 -1.26 -4.76 116.66 114.51 3dxj n ARG 288 Ca 0.00 0.15 0.00 0.00 -1.00 0.00 0.00 57.85 57.00 3dxj n ARG 288 Cb 0.00 -1.06 0.00 0.00 -1.05 0.00 0.00 32.46 30.35 3dxj n ARG 288 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 3dxj n THR 289 N -3.72 0.45 -0.05 8.89 -1.04 -1.24 -3.26 114.28 114.31 3dxj n THR 289 Ca -0.31 0.15 0.00 0.00 -2.04 0.00 0.00 64.05 61.85 3dxj n THR 289 Cb 0.71 -0.90 0.00 0.00 -1.82 0.00 0.00 70.33 68.32 3dxj n THR 289 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3dxj n LEU 290 N -3.24 0.00 -3.32 -4.42 4.77 -1.13 -4.65 117.00 105.00 3dxj n LEU 290 Ca 0.00 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.68 3dxj n LEU 290 Cb 0.00 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.10 3dxj n LEU 290 CO 0.00 0.00 -0.51 0.00 -1.33 0.00 0.00 177.39 175.55 3dxj n ALA 291 N 0.00 -2.77 -3.41 -1.18 0.00 0.14 -4.64 120.51 108.64 3dxj n ALA 291 Ca 0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 53.44 53.35 3dxj n ALA 291 Cb 0.00 -1.10 -0.06 0.00 0.00 0.00 0.00 19.45 18.29 3dxj n ALA 291 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3dxj s ARG 292 N -0.80 0.44 0.00 0.00 6.06 -1.26 -4.73 118.95 118.66 3dxj s ARG 292 Ca 0.44 0.92 0.00 0.00 -2.50 0.00 0.00 55.73 54.59 3dxj s ARG 292 Cb -0.38 0.19 0.00 0.00 0.06 0.00 0.00 34.95 34.82 3dxj s ARG 292 CO 0.52 -0.48 0.00 0.34 -2.50 0.00 0.00 175.30 173.18 3dxj n PHE 293 N 5.40 0.00 0.00 5.12 -0.00 -1.26 -4.69 117.46 122.03 3dxj n PHE 293 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.40 3dxj n PHE 293 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.98 3dxj n PHE 293 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 3dxj n GLU 294 N 0.00 0.00 0.00 -4.13 1.02 -1.26 -1.97 120.64 114.30 3dxj n GLU 294 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3dxj n GLU 294 Cb 0.00 -1.41 0.00 0.00 -0.02 0.00 0.00 31.44 30.01 3dxj n GLU 294 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3dxj n ASP 295 N 1.34 1.11 0.00 1.62 2.03 -1.26 -5.07 116.55 116.32 3dxj n ASP 295 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 3dxj n ASP 295 Cb 0.00 0.15 0.00 0.00 -0.72 0.00 0.00 41.12 40.55 3dxj n ASP 295 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3dxj n GLY 296 N 0.90 2.07 0.23 0.27 0.00 -0.83 -5.00 105.19 102.84 3dxj n GLY 296 Ca 0.00 -0.60 -0.02 0.00 0.00 0.00 0.00 46.02 45.40 3dxj n GLY 296 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dxj n GLU 297 N 0.00 -2.19 -3.76 1.61 4.71 -1.26 -4.96 120.64 114.79 3dxj n GLU 297 Ca 0.00 -0.11 -0.24 0.00 -0.01 0.00 0.00 57.16 56.80 3dxj n GLU 297 Cb 0.00 -0.14 -0.17 0.00 -1.01 0.00 0.00 31.44 30.12 3dxj n GLU 297 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 3dxj s PHE 298 N -1.08 0.71 -0.12 -0.32 0.40 -1.26 -4.75 117.98 111.55 3dxj s PHE 298 Ca 0.05 -0.29 -0.20 0.00 -0.60 0.00 0.00 56.93 55.88 3dxj s PHE 298 Cb -0.01 -0.84 -0.04 0.00 0.51 0.00 0.00 43.02 42.65 3dxj s PHE 298 CO 0.04 -0.38 0.59 0.21 0.70 0.00 0.00 175.22 176.37 3dxj s LYS 299 N 1.96 4.34 -0.47 0.44 2.20 -1.26 -4.53 119.74 122.41 3dxj s LYS 299 Ca 0.04 0.63 -0.00 0.00 -0.36 0.00 0.00 55.97 56.27 3dxj s LYS 299 Cb -0.13 -3.47 0.12 0.00 -1.51 0.00 0.00 37.83 32.84 3dxj s LYS 299 CO -0.06 0.03 0.24 0.34 -0.36 0.00 0.00 175.35 175.55 3dxj s ASP 300 N 0.82 5.01 -0.14 1.43 -1.08 -1.26 -4.73 116.67 116.71 3dxj s ASP 300 Ca 0.30 -2.43 0.03 0.00 -0.52 0.00 0.00 52.55 49.93 3dxj s ASP 300 Cb -0.16 -1.77 0.28 0.00 -1.46 0.00 0.00 42.92 39.81 3dxj s ASP 300 CO 0.13 -0.42 1.22 -0.62 0.52 0.00 0.00 175.17 176.01 3dxj n GLU 301 N 4.00 1.84 0.00 4.34 1.02 -1.26 -3.76 120.64 126.82 3dxj n GLU 301 Ca 0.03 -1.18 0.00 0.00 -0.02 0.00 0.00 57.16 55.99 3dxj n GLU 301 Cb 0.39 -1.57 0.00 0.00 -0.02 0.00 0.00 31.44 30.24 3dxj n GLU 301 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3dxj n VAL 302 N -0.00 0.00 -0.39 2.62 0.31 -1.26 -4.32 118.33 115.29 3dxj n VAL 302 Ca 0.19 0.00 0.37 0.00 -0.01 0.00 0.00 64.34 64.89 3dxj n VAL 302 Cb 0.84 -0.38 0.75 0.00 -0.91 0.00 0.00 33.84 34.14 3dxj n VAL 302 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 3dxj h PHE 303 N 0.00 0.06 0.00 3.52 -1.00 -1.98 -0.27 116.94 117.26 3dxj h PHE 303 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 3dxj h PHE 303 Cb 0.00 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 39.54 3dxj h PHE 303 CO 0.00 -0.00 0.00 -0.11 -1.61 0.00 0.00 178.31 176.59 3dxj n LEU 304 N -4.18 0.00 -0.22 1.54 7.94 -1.25 -0.79 117.00 120.04 3dxj n LEU 304 Ca 0.29 0.75 -0.06 0.00 -1.11 0.00 0.00 56.01 55.88 3dxj n LEU 304 Cb 1.35 -0.25 0.04 0.00 0.53 0.00 0.00 43.42 45.09 3dxj n LEU 304 CO 0.40 -0.25 1.10 -0.65 -1.11 0.00 0.00 177.39 176.87 3dxj h PRO 305 N 0.00 0.85 0.00 1.96 0.11 -1.26 -3.25 132.00 130.41 3dxj h PRO 305 Ca 0.00 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 66.03 3dxj h PRO 305 Cb 0.00 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 30.93 3dxj h PRO 305 CO 0.00 0.61 0.00 2.41 -0.21 0.00 0.00 178.00 180.81 3dxj n THR 306 N -4.59 0.00 -0.03 -1.15 -1.04 -0.78 -1.20 114.28 105.48 3dxj n THR 306 Ca 0.05 1.11 -0.01 0.00 -2.04 0.00 0.00 64.05 63.16 3dxj n THR 306 Cb 0.06 -1.72 -0.01 0.00 -1.82 0.00 0.00 70.33 66.84 3dxj n THR 306 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 3dxj n LEU 307 N -1.31 -0.07 -0.34 -4.42 7.94 0.03 0.88 117.00 119.71 3dxj n LEU 307 Ca 0.00 1.02 0.36 0.00 -1.11 0.00 0.00 56.01 56.28 3dxj n LEU 307 Cb 0.00 -0.47 0.66 0.00 0.53 0.00 0.00 43.42 44.15 3dxj n LEU 307 CO 0.00 -0.55 1.33 0.08 -1.11 0.00 0.00 177.39 177.14 3dxj h ARG 308 N 0.00 0.00 0.11 1.96 0.11 -1.58 1.09 114.38 116.07 3dxj h ARG 308 Ca 0.01 0.00 -0.25 0.00 0.10 0.00 0.00 59.98 59.84 3dxj h ARG 308 Cb 0.03 0.00 0.03 0.00 1.11 0.00 0.00 29.97 31.13 3dxj h ARG 308 CO -0.06 0.00 -1.05 -0.92 0.10 0.00 0.00 179.97 178.04 3dxj h TYR 309 N 0.00 0.84 -0.14 4.08 3.20 0.20 0.45 116.97 125.61 3dxj h TYR 309 Ca 0.60 -0.54 0.04 0.00 3.14 0.00 0.00 58.73 61.97 3dxj h TYR 309 Cb 2.77 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 40.97 3dxj h TYR 309 CO 0.00 1.39 0.10 1.25 -1.64 0.00 0.00 178.16 179.26 3dxj h LEU 310 N 0.06 0.00 0.28 2.82 5.85 0.26 0.84 115.31 125.42 3dxj h LEU 310 Ca -0.16 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 3dxj h LEU 310 Cb 1.76 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.79 3dxj h LEU 310 CO 0.20 0.00 -0.13 -0.26 -0.34 0.00 0.00 178.44 177.91 3dxj h PHE 311 N 0.00 -0.34 0.00 1.25 0.05 -0.87 1.97 116.94 119.00 3dxj h PHE 311 Ca 0.06 -0.01 0.00 0.00 3.82 0.00 0.00 57.97 61.85 3dxj h PHE 311 Cb 0.27 0.11 0.00 0.00 2.00 0.00 0.00 35.95 38.33 3dxj h PHE 311 CO 0.00 -0.01 0.23 0.00 -0.18 0.00 0.00 178.31 178.35 3dxj n ALA 312 N -2.62 0.70 -0.11 2.45 0.00 0.16 -1.21 120.51 119.87 3dxj n ALA 312 Ca -0.08 0.12 -0.22 0.00 0.00 0.00 0.00 53.44 53.26 3dxj n ALA 312 Cb 0.25 -0.86 -0.09 0.00 0.00 0.00 0.00 19.45 18.75 3dxj n ALA 312 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3dxj n LEU 313 N -1.99 1.97 -0.97 0.00 7.94 0.27 -3.74 117.00 120.48 3dxj n LEU 313 Ca -0.01 0.18 0.00 0.00 -1.11 0.00 0.00 56.01 55.07 3dxj n LEU 313 Cb 0.25 -0.70 0.00 0.00 0.53 0.00 0.00 43.42 43.50 3dxj n LEU 313 CO 0.06 0.58 0.32 0.35 -1.11 0.00 0.00 177.39 177.59 3dxj n THR 314 N -3.80 0.63 0.00 1.96 -2.24 0.67 -4.59 114.28 106.90 3dxj n THR 314 Ca -0.44 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 3dxj n THR 314 Cb 0.84 -0.80 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 3dxj n THR 314 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dxj n ALA 315 N 0.64 0.00 -1.36 6.98 0.00 -0.67 -4.94 120.51 121.16 3dxj n ALA 315 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3dxj n ALA 315 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.77 3dxj n ALA 315 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dxj n GLY 316 N 5.00 0.01 2.19 0.00 0.00 -1.26 -4.94 105.19 106.19 3dxj n GLY 316 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 3dxj n GLY 316 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3dxj n VAL 317 N -0.76 1.45 -1.27 1.61 0.31 -1.26 -4.87 118.33 113.53 3dxj n VAL 317 Ca 0.00 -2.94 -0.33 0.00 -0.01 0.00 0.00 64.34 61.06 3dxj n VAL 317 Cb 0.00 0.50 -0.06 0.00 -0.91 0.00 0.00 33.84 33.37 3dxj n VAL 317 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3dxj n PRO 318 N -0.48 3.38 0.00 5.55 -0.02 -1.25 -4.42 135.00 137.77 3dxj n PRO 318 Ca 0.17 -2.00 0.00 0.00 -2.02 0.00 0.00 63.50 59.65 3dxj n PRO 318 Cb 0.89 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 3dxj n PRO 318 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dxj n GLY 319 N 3.28 2.67 4.02 -1.23 0.00 -1.26 -4.66 105.19 108.00 3dxj n GLY 319 Ca 0.71 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.44 3dxj n GLY 319 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3dxj n HIS 320 N -0.83 -1.07 -1.20 1.61 1.44 -1.26 -4.79 115.22 109.13 3dxj n HIS 320 Ca 0.00 0.40 -0.35 0.00 -2.01 0.00 0.00 57.72 55.76 3dxj n HIS 320 Cb 0.00 -2.32 -0.02 0.00 0.12 0.00 0.00 29.99 27.77 3dxj n HIS 320 CO 0.00 0.00 0.00 -0.85 -2.81 0.00 0.00 176.34 172.68 3dxj n GLU 321 N -4.08 3.08 -0.74 -1.40 0.00 -1.26 -4.96 120.64 111.27 3dxj n GLU 321 Ca -0.23 -2.03 -0.27 0.00 0.00 0.00 0.00 57.16 54.63 3dxj n GLU 321 Cb 0.55 -2.77 0.23 0.00 0.00 0.00 0.00 31.44 29.46 3dxj n GLU 321 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 3dxj n VAL 322 N 4.03 0.00 -3.49 3.84 0.31 -1.26 -4.61 118.33 117.15 3dxj n VAL 322 Ca 0.65 -0.32 -0.23 0.00 -0.01 0.00 0.00 64.34 64.44 3dxj n VAL 322 Cb 0.23 -1.13 -0.13 0.00 -0.91 0.00 0.00 33.84 31.90 3dxj n VAL 322 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 3dxj s ASP 323 N -3.84 2.41 -0.51 4.52 1.01 -1.23 -4.83 116.67 114.20 3dxj s ASP 323 Ca 0.63 -0.86 -0.28 0.00 0.71 0.00 0.00 52.55 52.74 3dxj s ASP 323 Cb -0.07 0.09 0.03 0.00 1.01 0.00 0.00 42.92 43.97 3dxj s ASP 323 CO 0.49 -0.40 1.13 -0.62 0.21 0.00 0.00 175.17 175.99 3dxj s ASP 324 N 2.23 6.56 0.08 0.27 -1.08 -1.26 -4.86 116.67 118.61 3dxj s ASP 324 Ca 0.08 0.30 -0.36 0.00 -0.52 0.00 0.00 52.55 52.06 3dxj s ASP 324 Cb -0.15 -2.54 -0.18 0.00 -1.46 0.00 0.00 42.92 38.59 3dxj s ASP 324 CO -0.29 -1.31 1.58 0.40 0.52 0.00 0.00 175.17 176.07 3dxj h ILE 325 N 6.20 0.05 0.00 4.11 5.03 -1.97 -2.32 117.51 128.61 3dxj h ILE 325 Ca -0.24 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.50 3dxj h ILE 325 Cb 1.06 0.05 0.00 0.00 -3.03 0.00 0.00 36.82 34.90 3dxj h ILE 325 CO 1.14 0.00 0.35 0.44 -0.68 0.00 0.00 178.15 179.40 3dxj h ASP 326 N -1.11 0.00 -2.05 1.72 3.32 -1.94 -3.42 116.42 112.94 3dxj h ASP 326 Ca -0.09 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.38 3dxj h ASP 326 Cb 0.91 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.47 3dxj h ASP 326 CO 0.06 0.00 1.27 1.57 -1.72 0.00 0.00 179.24 180.42 3dxj n HIS 327 N -2.34 2.25 -0.12 4.55 -0.00 -0.87 -4.81 115.22 113.87 3dxj n HIS 327 Ca -0.01 -0.15 0.26 0.00 0.46 0.00 0.00 57.72 58.28 3dxj n HIS 327 Cb 0.38 -2.72 0.72 0.00 -0.12 0.00 0.00 29.99 28.25 3dxj n HIS 327 CO 0.00 0.00 0.00 -0.07 0.46 0.00 0.00 176.34 176.73 3dxj h LEU 328 N 11.39 0.00 0.00 0.27 3.38 -1.89 0.96 115.31 129.42 3dxj h LEU 328 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 3dxj h LEU 328 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 3dxj h LEU 328 CO 0.95 0.00 0.00 0.61 0.09 0.00 0.00 178.44 180.09 3dxj n GLY 329 N -1.69 -0.47 0.15 0.83 0.00 -1.26 -1.67 105.19 101.09 3dxj n GLY 329 Ca 0.16 -0.07 0.06 0.00 0.00 0.00 0.00 46.02 46.17 3dxj n GLY 329 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3dxj n ASN 330 N -1.10 1.62 -3.79 1.61 3.02 0.33 -4.79 115.26 112.15 3dxj n ASN 330 Ca 0.08 -2.55 -0.20 0.00 -0.03 0.00 0.00 54.58 51.88 3dxj n ASN 330 Cb 0.06 -0.29 -0.17 0.00 -0.61 0.00 0.00 39.78 38.77 3dxj n ASN 330 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3dxj s ARG 331 N -1.76 0.41 0.32 3.52 0.52 -0.67 -2.82 118.95 118.46 3dxj s ARG 331 Ca 0.18 0.11 0.02 0.00 -0.52 0.00 0.00 55.73 55.52 3dxj s ARG 331 Cb 0.16 -0.68 -0.03 0.00 0.52 0.00 0.00 34.95 34.91 3dxj s ARG 331 CO 0.02 -0.21 0.50 0.50 0.02 0.00 0.00 175.30 176.13 3dxj s ARG 332 N 1.47 3.45 -0.18 3.54 3.52 0.75 -4.74 118.95 126.76 3dxj s ARG 332 Ca -0.03 -0.47 0.01 0.00 -0.13 0.00 0.00 55.73 55.10 3dxj s ARG 332 Cb -0.13 -2.72 0.02 0.00 -1.56 0.00 0.00 34.95 30.55 3dxj s ARG 332 CO -0.03 0.21 -0.19 -1.50 -0.81 0.00 0.00 175.30 172.98 3dxj s ILE 333 N -2.23 2.16 -0.01 4.11 1.10 -0.38 0.97 121.20 126.92 3dxj s ILE 333 Ca 0.39 -0.91 -0.25 0.00 -0.51 0.00 0.00 60.65 59.36 3dxj s ILE 333 Cb -0.09 -1.91 -0.04 0.00 0.15 0.00 0.00 42.46 40.56 3dxj s ILE 333 CO 0.34 0.53 0.79 -0.13 -2.11 0.00 0.00 174.94 174.36 3dxj s ARG 334 N 1.29 4.49 0.20 3.50 0.52 0.18 -4.57 118.95 124.56 3dxj s ARG 334 Ca 0.05 1.07 0.09 0.00 -0.52 0.00 0.00 55.73 56.42 3dxj s ARG 334 Cb -0.13 -3.42 -0.04 0.00 0.52 0.00 0.00 34.95 31.88 3dxj s ARG 334 CO -0.12 0.12 -0.10 0.95 0.02 0.00 0.00 175.30 176.17 3dxj s THR 335 N 0.51 3.12 0.02 0.02 -4.23 -1.26 -2.13 115.64 111.69 3dxj s THR 335 Ca 0.41 -1.75 -0.04 0.00 -1.18 0.00 0.00 61.69 59.13 3dxj s THR 335 Cb -0.20 -2.56 -0.01 0.00 1.34 0.00 0.00 72.50 71.07 3dxj s THR 335 CO 0.22 -0.15 0.30 0.52 -0.54 0.00 0.00 174.62 174.97 3dxj n VAL 336 N -0.08 -0.08 0.00 2.29 0.31 -1.26 0.90 118.33 120.41 3dxj n VAL 336 Ca -0.10 0.47 0.00 0.00 -0.01 0.00 0.00 64.34 64.69 3dxj n VAL 336 Cb 0.56 -0.59 0.00 0.00 -0.91 0.00 0.00 33.84 32.90 3dxj n VAL 336 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3dxj n GLY 337 N -1.03 -3.22 0.08 2.92 0.00 -1.26 0.94 105.19 103.62 3dxj n GLY 337 Ca 0.00 0.56 -0.03 0.00 0.00 0.00 0.00 46.02 46.56 3dxj n GLY 337 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3dxj h GLU 338 N 0.00 -0.09 -0.70 1.61 4.81 -1.09 -0.78 114.58 118.34 3dxj h GLU 338 Ca 0.00 0.01 0.29 0.00 -0.13 0.00 0.00 59.36 59.53 3dxj h GLU 338 Cb 0.00 0.02 -0.13 0.00 0.63 0.00 0.00 28.75 29.28 3dxj h GLU 338 CO 0.00 -0.06 0.36 1.28 -0.73 0.00 0.00 179.01 179.86 3dxj n LEU 339 N -3.08 0.23 -0.03 1.64 4.77 0.26 0.25 117.00 121.04 3dxj n LEU 339 Ca -0.01 1.15 -0.16 0.00 -0.03 0.00 0.00 56.01 56.97 3dxj n LEU 339 Cb 0.06 -0.56 -0.13 0.00 -2.33 0.00 0.00 43.42 40.46 3dxj n LEU 339 CO 0.01 -1.29 0.31 -0.03 -1.33 0.00 0.00 177.39 175.06 3dxj h MET 340 N 0.00 0.11 -0.76 3.23 4.05 0.15 -3.34 114.93 118.36 3dxj h MET 340 Ca 0.59 -0.16 0.14 0.00 -0.28 0.00 0.00 59.70 59.98 3dxj h MET 340 Cb 1.54 0.06 -0.14 0.00 -0.80 0.00 0.00 31.60 32.26 3dxj h MET 340 CO -0.54 1.04 -0.27 1.15 0.23 0.00 0.00 176.91 178.52 3dxj h THR 341 N -0.74 0.16 -0.67 -0.77 2.02 0.12 0.32 112.91 113.34 3dxj h THR 341 Ca -0.04 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.26 3dxj h THR 341 Cb 1.16 0.16 -0.09 0.00 -1.74 0.00 0.00 68.15 67.64 3dxj h THR 341 CO 0.05 0.00 0.22 -2.24 0.37 0.00 0.00 175.52 173.92 3dxj h ASP 342 N -0.05 0.15 0.14 4.18 3.04 -1.66 0.64 116.42 122.86 3dxj h ASP 342 Ca 0.33 0.11 -0.04 0.00 -3.24 0.00 0.00 57.03 54.19 3dxj h ASP 342 Cb 0.58 0.11 -0.01 0.00 -1.04 0.00 0.00 39.33 38.97 3dxj h ASP 342 CO -0.80 0.07 -0.16 -0.61 -2.04 0.00 0.00 179.24 175.70 3dxj h GLN 343 N 0.36 0.04 -0.64 4.15 5.75 -0.60 0.00 115.11 124.18 3dxj h GLN 343 Ca 0.36 -0.01 -0.09 0.00 -0.15 0.00 0.00 58.65 58.76 3dxj h GLN 343 Cb 0.53 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.05 3dxj h GLN 343 CO -0.39 0.20 0.04 0.35 -2.65 0.00 0.00 178.83 176.38 3dxj h PHE 344 N 0.04 1.18 -0.03 3.99 -0.00 0.24 -3.20 116.94 119.16 3dxj h PHE 344 Ca 0.01 -0.19 -0.00 0.00 -0.00 0.00 0.00 57.97 57.79 3dxj h PHE 344 Cb 0.31 -0.31 -0.00 0.00 -0.00 0.00 0.00 35.95 35.94 3dxj h PHE 344 CO 0.00 1.01 -0.00 0.00 -0.00 0.00 0.00 178.31 179.33 3dxj h ARG 345 N 1.01 0.05 -0.10 1.11 3.08 0.11 -2.39 114.38 117.25 3dxj h ARG 345 Ca 0.19 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.23 3dxj h ARG 345 Cb 0.52 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 3dxj h ARG 345 CO 0.02 0.35 -0.18 -0.39 -1.07 0.00 0.00 179.97 178.70 3dxj h VAL 346 N -0.25 0.00 0.00 2.04 -1.51 -1.37 1.97 116.25 117.13 3dxj h VAL 346 Ca 0.01 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.48 3dxj h VAL 346 Cb 0.32 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 29.48 3dxj h VAL 346 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 177.57 177.57 3dxj h GLY 347 N -0.16 0.00 0.35 5.19 0.00 -1.67 0.57 103.07 107.36 3dxj h GLY 347 Ca 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.33 3dxj h GLY 347 CO -0.18 0.00 -0.17 -2.00 0.00 0.00 0.00 176.54 174.19 3dxj h LEU 348 N 0.00 -0.40 -1.78 3.11 5.85 -0.06 -2.38 115.31 119.65 3dxj h LEU 348 Ca 0.00 0.01 0.13 0.00 0.84 0.00 0.00 57.88 58.86 3dxj h LEU 348 Cb 0.02 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 3dxj h LEU 348 CO 0.00 0.01 0.40 0.00 -0.34 0.00 0.00 178.44 178.51 3dxj h ALA 349 N -1.18 2.22 0.00 1.25 0.00 0.40 0.68 119.26 122.62 3dxj h ALA 349 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3dxj h ALA 349 Cb 0.37 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3dxj h ALA 349 CO 0.08 -0.37 0.00 0.54 0.00 0.00 0.00 179.25 179.50 3dxj n ARG 350 N -4.44 0.03 -0.05 0.00 1.74 0.19 -1.99 116.66 112.14 3dxj n ARG 350 Ca 0.10 0.33 -0.20 0.00 -0.77 0.00 0.00 57.85 57.31 3dxj n ARG 350 Cb 0.48 -1.56 -0.13 0.00 -1.02 0.00 0.00 32.46 30.23 3dxj n ARG 350 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3dxj n LEU 351 N -1.61 2.72 -0.26 0.55 7.94 0.23 -3.63 117.00 122.95 3dxj n LEU 351 Ca 0.03 0.08 -0.01 0.00 -1.11 0.00 0.00 56.01 55.00 3dxj n LEU 351 Cb 0.14 -1.00 0.20 0.00 0.53 0.00 0.00 43.42 43.29 3dxj n LEU 351 CO 0.12 0.88 1.23 0.00 -1.11 0.00 0.00 177.39 178.50 3dxj h ALA 352 N 0.07 1.38 -0.36 1.96 0.00 -1.09 0.84 119.26 122.06 3dxj h ALA 352 Ca -0.48 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.41 3dxj h ALA 352 Cb 1.99 -0.33 -0.05 0.00 0.00 0.00 0.00 17.79 19.40 3dxj h ALA 352 CO 0.02 0.55 0.06 0.00 0.00 0.00 0.00 179.25 179.88 3dxj h ARG 353 N 1.10 0.17 0.39 0.00 3.08 -1.56 0.48 114.38 118.05 3dxj h ARG 353 Ca 0.29 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.32 3dxj h ARG 353 Cb -0.08 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 3dxj h ARG 353 CO -0.06 0.11 -0.29 0.78 -1.07 0.00 0.00 179.97 179.44 3dxj h GLY 354 N 0.18 -0.72 1.37 0.04 0.00 -0.62 -2.35 103.07 100.96 3dxj h GLY 354 Ca 0.17 0.33 0.06 0.00 0.00 0.00 0.00 47.33 47.89 3dxj h GLY 354 CO -0.24 -0.27 0.28 -0.24 0.00 0.00 0.00 176.54 176.07 3dxj h VAL 355 N -0.67 0.95 0.00 4.60 3.04 0.15 -1.20 116.25 123.11 3dxj h VAL 355 Ca -0.03 -0.10 -0.11 0.00 -1.01 0.00 0.00 66.70 65.44 3dxj h VAL 355 Cb 0.58 0.62 -0.02 0.00 -2.01 0.00 0.00 31.29 30.46 3dxj h VAL 355 CO 0.00 0.06 -0.55 0.03 -1.01 0.00 0.00 177.57 176.10 3dxj h ARG 356 N 0.30 0.00 0.00 4.17 3.08 0.21 -2.08 114.38 120.06 3dxj h ARG 356 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 3dxj h ARG 356 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.39 3dxj h ARG 356 CO -0.04 0.55 0.00 0.39 -1.07 0.00 0.00 179.97 179.80 3dxj n GLU 357 N -3.65 0.68 -0.08 0.04 1.02 -0.46 -2.73 120.64 115.47 3dxj n GLU 357 Ca -0.01 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.08 3dxj n GLU 357 Cb 0.60 -1.40 -0.15 0.00 -0.02 0.00 0.00 31.44 30.47 3dxj n GLU 357 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3dxj n ARG 358 N -0.90 0.81 0.29 3.49 1.74 -0.78 -4.26 116.66 117.04 3dxj n ARG 358 Ca 0.13 -0.04 0.15 0.00 -0.77 0.00 0.00 57.85 57.32 3dxj n ARG 358 Cb 0.06 -1.49 0.88 0.00 -1.02 0.00 0.00 32.46 30.89 3dxj n ARG 358 CO 0.00 0.00 0.00 1.98 -1.52 0.00 0.00 177.63 178.09 3dxj h MET 359 N 0.00 0.00 0.00 5.56 4.05 -1.57 -2.09 114.93 120.88 3dxj h MET 359 Ca -0.43 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.99 3dxj h MET 359 Cb 1.96 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.76 3dxj h MET 359 CO 0.02 0.04 0.00 1.28 0.23 0.00 0.00 176.91 178.49 3dxj n LEU 360 N -3.68 0.00 -2.04 3.39 4.77 -1.26 -3.24 117.00 114.94 3dxj n LEU 360 Ca -0.03 0.97 -0.21 0.00 -0.03 0.00 0.00 56.01 56.71 3dxj n LEU 360 Cb 0.14 -0.47 0.15 0.00 -2.33 0.00 0.00 43.42 40.91 3dxj n LEU 360 CO 0.27 -0.47 1.18 1.15 -1.33 0.00 0.00 177.39 178.20 3dxj n MET 361 N -2.06 2.07 -3.04 3.23 0.00 -1.22 -4.94 117.12 111.17 3dxj n MET 361 Ca 0.00 -2.54 -0.40 0.00 0.00 0.00 0.00 57.70 54.75 3dxj n MET 361 Cb 0.00 -2.00 -0.05 0.00 0.00 0.00 0.00 33.22 31.17 3dxj n MET 361 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 3dxj s GLY 362 N -0.95 2.25 1.23 3.17 0.00 -0.79 -5.05 107.32 107.18 3dxj s GLY 362 Ca 0.48 -0.06 -0.16 0.00 0.00 0.00 0.00 44.72 44.99 3dxj s GLY 362 CO 0.09 1.35 0.75 1.44 0.00 0.00 0.00 173.10 176.73 3dxj n SER 363 N 4.66 -2.43 -0.05 1.64 7.64 -1.26 -4.90 113.62 118.92 3dxj n SER 363 Ca 0.00 -0.31 -0.11 0.00 1.01 0.00 0.00 58.87 59.46 3dxj n SER 363 Cb 0.50 -1.12 -0.07 0.00 -1.01 0.00 0.00 64.21 62.50 3dxj n SER 363 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 3dxj h GLU 364 N -2.78 -0.35 0.00 1.43 5.08 -2.00 -3.34 114.58 112.62 3dxj h GLU 364 Ca -0.57 0.02 -0.14 0.00 -1.00 0.00 0.00 59.36 57.68 3dxj h GLU 364 Cb 1.32 0.08 -0.31 0.00 0.50 0.00 0.00 28.75 30.34 3dxj h GLU 364 CO 0.42 -0.23 -0.92 -0.25 -1.00 0.00 0.00 179.01 177.03 3dxj n ASP 365 N -4.63 1.05 -2.65 1.42 8.00 -1.26 -4.81 116.55 113.67 3dxj n ASP 365 Ca -0.04 -2.28 -0.36 0.00 0.71 0.00 0.00 54.79 52.83 3dxj n ASP 365 Cb 0.26 -0.33 0.05 0.00 -0.02 0.00 0.00 41.12 41.08 3dxj n ASP 365 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 3dxj n SER 366 N 0.22 7.15 0.00 -2.24 2.88 -1.25 -4.24 113.62 116.14 3dxj n SER 366 Ca 0.08 -3.81 0.00 0.00 -1.33 0.00 0.00 58.87 53.81 3dxj n SER 366 Cb 1.05 -0.94 0.00 0.00 -0.75 0.00 0.00 64.21 63.57 3dxj n SER 366 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 3dxj n LEU 367 N -0.65 0.00 0.00 2.46 0.00 -1.26 -4.44 117.00 113.10 3dxj n LEU 367 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.55 3dxj n LEU 367 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.86 3dxj n LEU 367 CO 0.57 0.00 0.00 0.41 0.00 0.00 0.00 177.39 178.37 3dxj n THR 368 N -0.20 0.00 0.00 1.96 -1.04 -1.26 -4.23 114.28 109.51 3dxj n THR 368 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3dxj n THR 368 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 3dxj n THR 368 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3dxj n PRO 369 N -0.74 0.00 -0.15 -2.82 -0.02 -1.26 -4.64 135.00 125.37 3dxj n PRO 369 Ca 0.00 0.00 0.09 0.00 -2.02 0.00 0.00 63.50 61.57 3dxj n PRO 369 Cb 0.00 -0.04 0.12 0.00 -0.02 0.00 0.00 33.50 33.56 3dxj n PRO 369 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dxj n ALA 370 N -3.00 2.27 0.71 3.55 0.00 -1.26 -4.39 120.51 118.39 3dxj n ALA 370 Ca 0.00 -2.44 0.12 0.00 0.00 0.00 0.00 53.44 51.13 3dxj n ALA 370 Cb 0.00 -0.40 0.48 0.00 0.00 0.00 0.00 19.45 19.54 3dxj n ALA 370 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3dxj n LYS 371 N -1.23 0.11 -0.85 0.00 5.02 -1.26 -1.25 118.16 118.69 3dxj n LYS 371 Ca 0.14 0.17 0.08 0.00 -2.02 0.00 0.00 58.31 56.67 3dxj n LYS 371 Cb 0.65 -1.65 0.40 0.00 -0.02 0.00 0.00 35.03 34.42 3dxj n LYS 371 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3dxj n LEU 372 N -1.84 5.58 -4.50 -0.35 4.77 -1.26 -5.00 117.00 114.40 3dxj n LEU 372 Ca 0.05 -2.84 -0.24 0.00 -0.03 0.00 0.00 56.01 52.95 3dxj n LEU 372 Cb 0.32 -0.67 -0.10 0.00 -2.33 0.00 0.00 43.42 40.65 3dxj n LEU 372 CO 0.25 0.67 -0.45 -0.69 -1.33 0.00 0.00 177.39 175.84 3dxj s VAL 373 N -2.58 2.48 -0.30 4.08 1.01 -0.38 -4.56 120.40 120.14 3dxj s VAL 373 Ca 0.54 -2.33 -0.17 0.00 0.00 0.00 0.00 61.98 60.03 3dxj s VAL 373 Cb 0.40 -2.42 0.18 0.00 0.00 0.00 0.00 36.38 34.54 3dxj s VAL 373 CO 0.18 -0.35 1.17 0.21 0.00 0.00 0.00 175.10 176.31 3dxj s ASN 374 N -3.55 -0.23 -0.06 3.32 2.47 -1.26 -5.07 114.94 110.56 3dxj s ASN 374 Ca 0.31 0.19 -0.25 0.00 0.42 0.00 0.00 52.86 53.52 3dxj s ASN 374 Cb -0.03 1.21 -0.23 0.00 -1.45 0.00 0.00 41.25 40.74 3dxj s ASN 374 CO 0.16 -0.04 1.02 0.77 -3.72 0.00 0.00 177.10 175.29 3dxj h SER 375 N 7.74 0.15 0.00 -4.21 4.64 -2.00 -3.39 113.55 116.49 3dxj h SER 375 Ca -0.12 -0.77 0.00 0.00 -0.47 0.00 0.00 61.79 60.43 3dxj h SER 375 Cb 1.16 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 3dxj h SER 375 CO -0.10 0.90 0.00 0.54 -0.87 0.00 0.00 176.83 177.29 3dxj n ARG 376 N -4.58 0.00 0.26 4.77 1.74 -1.26 0.14 116.66 117.73 3dxj n ARG 376 Ca -0.10 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 56.81 3dxj n ARG 376 Cb 0.46 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.81 3dxj n ARG 376 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3dxj h PRO 377 N 0.00 -0.87 -0.53 5.56 0.13 -1.89 1.19 132.00 135.58 3dxj h PRO 377 Ca 0.00 0.06 -0.09 0.00 -0.87 0.00 0.00 66.00 65.10 3dxj h PRO 377 Cb 0.00 0.20 -0.02 0.00 0.13 0.00 0.00 31.00 31.31 3dxj h PRO 377 CO 0.00 -0.58 -0.02 1.25 -0.23 0.00 0.00 178.00 178.42 3dxj h LEU 378 N -0.90 0.93 -0.16 1.56 5.85 0.27 -1.22 115.31 121.64 3dxj h LEU 378 Ca -0.04 -0.32 0.04 0.00 0.84 0.00 0.00 57.88 58.40 3dxj h LEU 378 Cb 0.80 -0.25 -0.07 0.00 0.37 0.00 0.00 40.66 41.51 3dxj h LEU 378 CO -0.08 1.03 -0.43 -0.08 -0.34 0.00 0.00 178.44 178.53 3dxj h GLU 379 N 0.82 -0.46 0.07 1.25 4.57 0.17 -2.55 114.58 118.44 3dxj h GLU 379 Ca 0.15 0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.36 3dxj h GLU 379 Cb 0.56 0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.25 3dxj h GLU 379 CO 0.03 -0.31 -0.11 0.00 -1.18 0.00 0.00 179.01 177.45 3dxj h ALA 380 N 0.12 -0.75 -0.19 2.92 0.00 0.16 -0.46 119.26 121.06 3dxj h ALA 380 Ca 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3dxj h ALA 380 Cb 0.63 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3dxj h ALA 380 CO -0.42 -0.76 0.00 0.00 0.00 0.00 0.00 179.25 178.07 3dxj n ALA 381 N -2.45 0.00 0.04 0.00 0.00 -0.48 0.26 120.51 117.90 3dxj n ALA 381 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.30 3dxj n ALA 381 Cb 0.09 0.01 -0.05 0.00 0.00 0.00 0.00 19.45 19.50 3dxj n ALA 381 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3dxj h ILE 382 N 0.00 0.27 0.00 0.00 2.04 -1.50 1.09 117.51 119.40 3dxj h ILE 382 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3dxj h ILE 382 Cb 0.00 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 36.35 3dxj h ILE 382 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 178.15 177.01 3dxj n ARG 383 N -5.42 0.00 -0.31 2.37 0.63 1.00 -0.12 116.66 114.82 3dxj n ARG 383 Ca -0.05 0.77 0.15 0.00 -0.92 0.00 0.00 57.85 57.80 3dxj n ARG 383 Cb 0.34 -1.44 0.30 0.00 0.45 0.00 0.00 32.46 32.11 3dxj n ARG 383 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 3dxj n GLU 384 N -2.43 -0.07 0.00 -0.14 -0.58 0.75 -2.30 120.64 115.87 3dxj n GLU 384 Ca 0.00 1.32 0.00 0.00 -0.42 0.00 0.00 57.16 58.06 3dxj n GLU 384 Cb 0.00 -2.14 0.00 0.00 -0.57 0.00 0.00 31.44 28.73 3dxj n GLU 384 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3dxj n PHE 385 N -5.27 0.00 0.00 -0.32 7.35 0.37 -0.87 117.46 118.73 3dxj n PHE 385 Ca 0.23 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.92 3dxj n PHE 385 Cb 0.75 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.58 3dxj n PHE 385 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 3dxj n PHE 386 N 0.00 0.00 -0.17 -5.13 3.01 -0.54 0.15 117.46 114.78 3dxj n PHE 386 Ca 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.45 3dxj n PHE 386 Cb 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.48 3dxj n PHE 386 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3dxj n SER 387 N -0.63 -0.30 -1.18 4.37 3.41 -1.07 -0.31 113.62 117.89 3dxj n SER 387 Ca 0.00 0.76 0.00 0.00 -0.26 0.00 0.00 58.87 59.37 3dxj n SER 387 Cb 0.00 -0.16 0.24 0.00 -0.26 0.00 0.00 64.21 64.02 3dxj n SER 387 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3dxj n ARG 388 N -4.63 2.54 -2.97 4.33 3.00 -0.05 -5.00 116.66 113.89 3dxj n ARG 388 Ca 0.04 -3.01 -0.40 0.00 -0.01 0.00 0.00 57.85 54.47 3dxj n ARG 388 Cb 0.17 -1.89 -0.05 0.00 0.00 0.00 0.00 32.46 30.68 3dxj n ARG 388 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 3dxj s SER 389 N -2.05 7.28 0.32 0.55 0.15 0.39 -4.91 113.70 115.43 3dxj s SER 389 Ca 0.45 1.53 0.05 0.00 0.70 0.00 0.00 55.95 58.68 3dxj s SER 389 Cb 0.38 -2.48 0.67 0.00 -1.71 0.00 0.00 66.02 62.88 3dxj s SER 389 CO 0.06 0.07 1.87 -0.61 1.20 0.00 0.00 173.24 175.83 3dxj h GLN 390 N 5.24 0.84 -0.01 5.44 4.15 -1.88 0.21 115.11 129.09 3dxj h GLN 390 Ca -0.45 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 58.92 3dxj h GLN 390 Cb 1.21 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 28.71 3dxj h GLN 390 CO 0.69 0.56 -0.05 1.28 -1.93 0.00 0.00 178.83 179.38 3dxj n LEU 391 N -4.57 0.97 -4.56 -2.39 4.32 -1.26 -4.70 117.00 104.81 3dxj n LEU 391 Ca 0.17 -0.28 -0.40 0.00 -0.02 0.00 0.00 56.01 55.47 3dxj n LEU 391 Cb 0.37 -0.05 -0.09 0.00 -1.62 0.00 0.00 43.42 42.03 3dxj n LEU 391 CO 0.29 0.17 0.03 -0.55 -1.22 0.00 0.00 177.39 176.11 3dxj s SER 392 N -2.15 6.19 -0.00 -1.43 0.15 0.73 -1.69 113.70 115.50 3dxj s SER 392 Ca 0.37 -0.12 -0.08 0.00 0.70 0.00 0.00 55.95 56.82 3dxj s SER 392 Cb 0.21 -2.20 0.00 0.00 -1.71 0.00 0.00 66.02 62.32 3dxj s SER 392 CO 0.39 -0.30 0.15 0.00 1.20 0.00 0.00 173.24 174.68 3dxj s GLN 393 N 2.03 0.48 0.13 5.44 -2.07 0.67 -4.58 119.66 121.75 3dxj s GLN 393 Ca 0.12 -0.34 -0.34 0.00 -1.82 0.00 0.00 55.36 52.98 3dxj s GLN 393 Cb -0.16 0.20 -0.17 0.00 -1.09 0.00 0.00 33.01 31.79 3dxj s GLN 393 CO 0.11 -0.11 1.04 1.19 -1.32 0.00 0.00 175.29 176.20 3dxj n PHE 394 N 1.54 0.83 -1.73 9.60 3.72 -1.26 0.17 117.46 130.33 3dxj n PHE 394 Ca -0.22 0.83 -0.42 0.00 -0.05 0.00 0.00 57.45 57.59 3dxj n PHE 394 Cb 0.56 -2.18 -0.03 0.00 -0.94 0.00 0.00 39.48 36.89 3dxj n PHE 394 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 3dxj s LYS 395 N -0.33 4.15 -0.83 -1.08 2.20 0.55 -4.54 119.74 119.85 3dxj s LYS 395 Ca 0.77 2.56 -0.22 0.00 -0.36 0.00 0.00 55.97 58.72 3dxj s LYS 395 Cb -0.98 -3.78 0.08 0.00 -1.51 0.00 0.00 37.83 31.64 3dxj s LYS 395 CO 0.54 -0.87 1.17 0.34 -0.36 0.00 0.00 175.35 176.17 3dxj s ASP 396 N 3.22 6.38 -0.40 1.43 -1.08 -1.26 -4.68 116.67 120.27 3dxj s ASP 396 Ca 0.82 -1.32 0.04 0.00 -0.52 0.00 0.00 52.55 51.58 3dxj s ASP 396 Cb -0.44 -2.47 0.46 0.00 -1.46 0.00 0.00 42.92 39.01 3dxj s ASP 396 CO 0.37 -1.41 1.46 -1.84 0.52 0.00 0.00 175.17 174.27 3dxj n GLU 397 N 7.88 3.25 -0.33 4.34 0.28 -1.26 0.40 120.64 135.20 3dxj n GLU 397 Ca 0.13 -3.86 0.25 0.00 -0.16 0.00 0.00 57.16 53.52 3dxj n GLU 397 Cb 0.48 -2.26 0.48 0.00 1.43 0.00 0.00 31.44 31.58 3dxj n GLU 397 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 177.13 178.12 3dxj h THR 398 N 1.77 0.27 -0.29 3.84 2.02 -1.87 -3.44 112.91 115.21 3dxj h THR 398 Ca 0.43 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.51 3dxj h THR 398 Cb 1.33 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 3dxj h THR 398 CO 0.99 0.05 0.00 -0.46 0.37 0.00 0.00 175.52 176.47 3dxj n ASN 399 N -5.07 0.00 -0.06 4.18 0.23 -1.26 -4.61 115.26 108.66 3dxj n ASN 399 Ca 0.32 0.00 -0.04 0.00 -0.53 0.00 0.00 54.58 54.34 3dxj n ASN 399 Cb 1.01 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 38.70 3dxj n ASN 399 CO 0.00 0.00 0.00 -0.65 -0.93 0.00 0.00 177.26 175.68 3dxj h PRO 400 N 0.00 0.00 -0.95 -0.53 0.11 -1.93 -3.11 132.00 125.59 3dxj h PRO 400 Ca 0.00 0.00 0.17 0.00 0.11 0.00 0.00 66.00 66.28 3dxj h PRO 400 Cb 0.00 0.00 -0.17 0.00 0.11 0.00 0.00 31.00 30.94 3dxj h PRO 400 CO 0.00 0.00 -0.30 1.25 -0.21 0.00 0.00 178.00 178.74 3dxj h LEU 401 N -0.90 -1.12 -0.23 2.35 5.85 -1.95 1.77 115.31 121.07 3dxj h LEU 401 Ca 0.00 0.29 0.03 0.00 0.84 0.00 0.00 57.88 59.04 3dxj h LEU 401 Cb 0.40 0.66 -0.04 0.00 0.37 0.00 0.00 40.66 42.04 3dxj h LEU 401 CO 0.00 -0.30 -0.28 0.77 -0.34 0.00 0.00 178.44 178.28 3dxj h SER 402 N -0.01 -0.96 -0.56 1.25 4.64 -1.79 2.11 113.55 118.24 3dxj h SER 402 Ca 0.40 0.13 0.09 0.00 -0.47 0.00 0.00 61.79 61.93 3dxj h SER 402 Cb 0.65 0.40 -0.07 0.00 -0.31 0.00 0.00 62.40 63.07 3dxj h SER 402 CO -0.97 -0.20 0.19 0.77 -0.87 0.00 0.00 176.83 175.75 3dxj h SER 403 N -0.18 0.16 0.36 4.97 4.64 0.58 -0.81 113.55 123.26 3dxj h SER 403 Ca 0.04 0.08 -0.02 0.00 -0.47 0.00 0.00 61.79 61.42 3dxj h SER 403 Cb 0.29 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 3dxj h SER 403 CO -0.32 0.11 -0.17 0.25 -0.87 0.00 0.00 176.83 175.83 3dxj h LEU 404 N 0.36 -0.40 -1.41 5.97 5.85 0.38 -3.03 115.31 123.02 3dxj h LEU 404 Ca 0.28 -0.13 0.16 0.00 0.84 0.00 0.00 57.88 59.03 3dxj h LEU 404 Cb 0.34 0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.41 3dxj h LEU 404 CO -0.29 -0.08 0.56 -0.09 -0.34 0.00 0.00 178.44 178.20 3dxj h ARG 405 N -0.75 0.53 -0.92 1.25 2.43 0.35 0.17 114.38 117.44 3dxj h ARG 405 Ca -0.05 -0.03 0.09 0.00 -0.81 0.00 0.00 59.98 59.18 3dxj h ARG 405 Cb 0.51 -0.12 -0.07 0.00 -0.42 0.00 0.00 29.97 29.87 3dxj h ARG 405 CO 0.08 0.35 0.59 1.25 -1.51 0.00 0.00 179.97 180.73 3dxj h HIS 406 N 0.55 1.02 -0.32 2.20 2.76 -1.03 -1.01 115.15 119.32 3dxj h HIS 406 Ca 0.44 0.03 -0.13 0.00 -2.20 0.00 0.00 60.37 58.51 3dxj h HIS 406 Cb 0.88 -0.33 -0.01 0.00 1.55 0.00 0.00 27.41 29.49 3dxj h HIS 406 CO -0.00 0.49 -0.32 0.87 -1.30 0.00 0.00 177.93 177.66 3dxj h LYS 407 N 0.96 0.69 0.00 5.26 1.57 -0.57 -2.99 116.57 121.49 3dxj h LYS 407 Ca 0.42 -0.31 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3dxj h LYS 407 Cb 0.34 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.64 3dxj h LYS 407 CO -0.18 0.92 0.00 -2.13 -0.57 0.00 0.00 179.45 177.49 3dxj n ARG 408 N -4.07 0.33 -1.69 3.15 0.63 -0.41 -4.75 116.66 109.85 3dxj n ARG 408 Ca -0.01 0.08 -0.31 0.00 -0.92 0.00 0.00 57.85 56.69 3dxj n ARG 408 Cb 0.48 -1.50 0.04 0.00 0.45 0.00 0.00 32.46 31.93 3dxj n ARG 408 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 3dxj s ARG 409 N -2.51 3.01 -0.11 -0.14 0.52 -1.05 -2.36 118.95 116.31 3dxj s ARG 409 Ca 0.21 1.03 0.00 0.00 -0.52 0.00 0.00 55.73 56.45 3dxj s ARG 409 Cb 0.14 -2.00 0.02 0.00 0.52 0.00 0.00 34.95 33.63 3dxj s ARG 409 CO 0.31 -1.05 -0.10 0.42 0.02 0.00 0.00 175.30 174.90 3dxj s ILE 410 N -2.87 1.17 0.43 1.52 1.09 0.50 -3.87 121.20 119.16 3dxj s ILE 410 Ca 0.60 -0.41 -0.01 0.00 -1.10 0.00 0.00 60.65 59.73 3dxj s ILE 410 Cb -0.15 -1.13 -0.02 0.00 -1.06 0.00 0.00 42.46 40.10 3dxj s ILE 410 CO 0.50 0.38 0.66 -0.55 -0.10 0.00 0.00 174.94 175.83 3dxj s SER 411 N 1.41 6.02 0.00 3.58 0.15 -0.28 -1.76 113.70 122.80 3dxj s SER 411 Ca 0.00 0.44 0.00 0.00 0.70 0.00 0.00 55.95 57.09 3dxj s SER 411 Cb -0.13 -1.79 0.00 0.00 -1.71 0.00 0.00 66.02 62.39 3dxj s SER 411 CO -0.06 -0.58 0.61 0.00 1.20 0.00 0.00 173.24 174.42 3dxj n ALA 412 N -2.04 1.30 -2.79 5.45 0.00 -0.99 0.77 120.51 122.21 3dxj n ALA 412 Ca -0.01 -0.61 -0.28 0.00 0.00 0.00 0.00 53.44 52.55 3dxj n ALA 412 Cb 0.57 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.96 3dxj n ALA 412 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3dxj s LEU 413 N -0.31 3.80 0.00 0.00 1.43 -1.26 -4.38 118.68 117.96 3dxj s LEU 413 Ca 0.00 -0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.01 3dxj s LEU 413 Cb 0.00 -2.44 0.00 0.00 0.03 0.00 0.00 46.19 43.78 3dxj s LEU 413 CO 0.00 0.10 0.00 0.61 0.23 0.00 0.00 176.35 177.29 3dxj n GLY 414 N -0.07 0.86 3.71 -3.19 0.00 -1.26 -4.90 105.19 100.34 3dxj n GLY 414 Ca -0.08 -0.57 -0.61 0.00 0.00 0.00 0.00 46.02 44.76 3dxj n GLY 414 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3dxj n PRO 415 N 0.00 0.69 0.00 1.61 -0.02 -1.26 -4.58 135.00 131.44 3dxj n PRO 415 Ca 0.00 0.25 0.01 0.00 -2.02 0.00 0.00 63.50 61.74 3dxj n PRO 415 Cb 0.00 -1.86 0.06 0.00 -0.02 0.00 0.00 33.50 31.68 3dxj n PRO 415 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dxj n GLY 416 N 3.92 -0.19 0.00 -1.23 0.00 -1.26 0.37 105.19 106.80 3dxj n GLY 416 Ca 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.28 3dxj n GLY 416 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dxj n GLY 417 N -0.41 0.11 0.19 -0.02 0.00 -1.26 -4.74 105.19 99.05 3dxj n GLY 417 Ca 0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.07 3dxj n GLY 417 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3dxj n LEU 418 N -0.74 1.12 -3.86 0.99 4.77 0.12 -5.01 117.00 114.38 3dxj n LEU 418 Ca 0.00 -0.81 -0.12 0.00 -0.03 0.00 0.00 56.01 55.06 3dxj n LEU 418 Cb 0.00 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 40.97 3dxj n LEU 418 CO 0.00 0.23 -0.26 -0.89 -1.33 0.00 0.00 177.39 175.14 3dxj s THR 419 N -1.02 0.03 -0.13 -5.08 2.01 1.19 -4.75 115.64 107.90 3dxj s THR 419 Ca 0.06 -0.26 -0.11 0.00 0.31 0.00 0.00 61.69 61.70 3dxj s THR 419 Cb 0.06 -0.21 0.04 0.00 0.01 0.00 0.00 72.50 72.39 3dxj s THR 419 CO 0.16 -0.14 0.33 -0.13 -0.69 0.00 0.00 174.62 174.16 3dxj s ARG 420 N -0.43 0.38 -0.00 4.92 0.52 -1.26 -4.34 118.95 118.74 3dxj s ARG 420 Ca -0.05 0.49 0.06 0.00 -0.52 0.00 0.00 55.73 55.71 3dxj s ARG 420 Cb -0.03 0.15 0.16 0.00 0.52 0.00 0.00 34.95 35.75 3dxj s ARG 420 CO 0.00 -0.06 1.13 -1.91 0.02 0.00 0.00 175.30 174.48 3dxj n GLU 421 N 3.09 1.43 -2.27 3.54 2.13 -1.26 -4.72 120.64 122.58 3dxj n GLU 421 Ca -0.14 -0.66 -0.40 0.00 0.66 0.00 0.00 57.16 56.62 3dxj n GLU 421 Cb 0.57 -1.15 -0.03 0.00 0.27 0.00 0.00 31.44 31.10 3dxj n GLU 421 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 3dxj s ARG 422 N -1.75 2.89 -0.99 5.31 0.52 -1.26 -4.86 118.95 118.81 3dxj s ARG 422 Ca 0.12 0.24 -0.29 0.00 -0.52 0.00 0.00 55.73 55.28 3dxj s ARG 422 Cb 0.06 -4.29 -0.23 0.00 0.52 0.00 0.00 34.95 31.02 3dxj s ARG 422 CO 0.08 -2.45 2.65 0.00 0.02 0.00 0.00 175.30 175.60 3dxj n ALA 423 N 11.19 0.37 -2.54 2.13 0.00 -1.26 -4.81 120.51 125.57 3dxj n ALA 423 Ca 0.13 -0.33 -0.43 0.00 0.00 0.00 0.00 53.44 52.80 3dxj n ALA 423 Cb 0.51 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.66 3dxj n ALA 423 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dxj n GLY 424 N 6.41 3.92 0.02 0.00 0.00 -1.26 -4.89 105.19 109.39 3dxj n GLY 424 Ca 0.66 -1.94 -0.01 0.00 0.00 0.00 0.00 46.02 44.74 3dxj n GLY 424 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3dxj n PHE 425 N 5.34 -0.02 0.24 1.61 7.35 -1.26 0.30 117.46 131.01 3dxj n PHE 425 Ca 0.41 0.06 0.07 0.00 -0.76 0.00 0.00 57.45 57.23 3dxj n PHE 425 Cb 0.40 -0.24 0.35 0.00 0.35 0.00 0.00 39.48 40.34 3dxj n PHE 425 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 3dxj n ASP 426 N -2.65 0.32 0.03 -2.13 5.75 -1.26 -1.02 116.55 115.59 3dxj n ASP 426 Ca 0.00 0.62 -0.04 0.00 -0.01 0.00 0.00 54.79 55.36 3dxj n ASP 426 Cb 0.01 -0.67 -0.09 0.00 -1.03 0.00 0.00 41.12 39.34 3dxj n ASP 426 CO 0.00 0.00 0.00 0.58 -0.11 0.00 0.00 177.20 177.67 3dxj h VAL 427 N 0.00 0.90 0.00 2.12 2.07 0.41 -3.06 116.25 118.69 3dxj h VAL 427 Ca 0.00 -2.54 0.00 0.00 0.82 0.00 0.00 66.70 64.98 3dxj h VAL 427 Cb 0.13 2.38 0.00 0.00 -1.52 0.00 0.00 31.29 32.28 3dxj h VAL 427 CO 0.00 0.51 0.00 0.03 0.02 0.00 0.00 177.57 178.13 3dxj h ARG 428 N 0.00 0.00 -7.22 1.57 3.08 0.10 -3.46 114.38 108.45 3dxj h ARG 428 Ca -0.15 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.37 3dxj h ARG 428 Cb 1.74 0.00 0.20 0.00 0.08 0.00 0.00 29.97 31.99 3dxj h ARG 428 CO 0.08 0.00 0.19 -3.47 -1.07 0.00 0.00 179.97 175.70 3dxj n ASP 429 N -2.82 0.33 -4.35 7.04 -0.08 -0.86 -4.45 116.55 111.36 3dxj n ASP 429 Ca 0.03 0.45 -0.46 0.00 -1.51 0.00 0.00 54.79 53.30 3dxj n ASP 429 Cb 0.39 -1.47 -0.04 0.00 2.34 0.00 0.00 41.12 42.35 3dxj n ASP 429 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 3dxj s VAL 430 N -2.51 5.20 0.51 5.18 0.11 -1.26 -5.04 120.40 122.59 3dxj s VAL 430 Ca 0.68 -1.72 -0.21 0.00 -2.93 0.00 0.00 61.98 57.79 3dxj s VAL 430 Cb -0.24 -4.47 -0.06 0.00 -1.53 0.00 0.00 36.38 30.07 3dxj s VAL 430 CO 0.57 -1.06 1.18 -2.28 -3.33 0.00 0.00 175.10 170.18 3dxj s HIS 431 N 1.49 2.69 0.22 1.54 2.46 -1.26 -4.93 115.29 117.50 3dxj s HIS 431 Ca 0.14 1.52 -0.11 0.00 0.47 0.00 0.00 55.06 57.08 3dxj s HIS 431 Cb -0.19 -3.41 0.32 0.00 -0.13 0.00 0.00 32.58 29.17 3dxj s HIS 431 CO -0.02 -1.76 1.64 0.07 -2.47 0.00 0.00 174.74 172.21 3dxj h ARG 432 N 1.59 0.06 0.00 2.88 0.11 -1.96 0.49 114.38 117.55 3dxj h ARG 432 Ca -0.50 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.58 3dxj h ARG 432 Cb 1.26 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.33 3dxj h ARG 432 CO 0.58 0.04 0.34 1.79 0.10 0.00 0.00 179.97 182.83 3dxj h THR 433 N 0.07 0.00 -0.01 0.08 1.35 -1.91 -1.10 112.91 111.38 3dxj h THR 433 Ca 0.34 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.21 3dxj h THR 433 Cb 0.56 0.38 -0.00 0.00 -1.73 0.00 0.00 68.15 67.36 3dxj h THR 433 CO -0.62 0.00 0.01 0.45 -0.25 0.00 0.00 175.52 175.11 3dxj h HIS 434 N 0.00 0.00 -1.35 4.73 3.86 -1.25 -3.42 115.15 117.72 3dxj h HIS 434 Ca 0.00 0.00 -0.77 0.00 -1.16 0.00 0.00 60.37 58.44 3dxj h HIS 434 Cb 0.68 0.00 0.03 0.00 1.06 0.00 0.00 27.41 29.18 3dxj h HIS 434 CO 0.00 0.00 0.64 0.98 0.86 0.00 0.00 177.93 180.41 3dxj n TYR 435 N -4.01 1.67 -1.09 2.45 9.36 -0.42 0.24 117.16 125.36 3dxj n TYR 435 Ca -0.03 0.79 -0.03 0.00 3.32 0.00 0.00 57.90 61.95 3dxj n TYR 435 Cb 0.10 -2.32 -0.01 0.00 -0.63 0.00 0.00 39.34 36.47 3dxj n TYR 435 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3dxj n GLY 436 N 3.44 0.42 1.19 2.98 0.00 -1.25 -4.74 105.19 107.24 3dxj n GLY 436 Ca 0.25 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.22 3dxj n GLY 436 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dxj n ARG 437 N -0.45 0.00 -4.85 1.61 1.74 0.14 -3.63 116.66 111.21 3dxj n ARG 437 Ca -0.03 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.74 3dxj n ARG 437 Cb 0.41 -0.41 -0.14 0.00 -1.02 0.00 0.00 32.46 31.31 3dxj n ARG 437 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3dxj s ILE 438 N -2.00 2.53 -0.40 0.55 1.01 -0.41 0.31 121.20 122.79 3dxj s ILE 438 Ca 0.00 -1.18 -0.27 0.00 0.00 0.00 0.00 60.65 59.20 3dxj s ILE 438 Cb 0.00 -2.01 -0.04 0.00 0.01 0.00 0.00 42.46 40.42 3dxj s ILE 438 CO 0.00 0.41 2.02 0.00 0.00 0.00 0.00 174.94 177.37 3dxj h PRO 440 N 15.12 0.57 0.04 0.00 0.11 -1.88 -3.02 132.00 142.94 3dxj h PRO 440 Ca -0.32 -0.03 -0.20 0.00 0.11 0.00 0.00 66.00 65.56 3dxj h PRO 440 Cb 1.20 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 3dxj h PRO 440 CO 1.08 0.38 -1.05 -0.24 -0.21 0.00 0.00 178.00 177.96 3dxj h VAL 441 N 0.59 1.13 -2.57 3.15 3.04 -1.94 -3.46 116.25 116.19 3dxj h VAL 441 Ca 0.48 -2.28 -0.55 0.00 -1.01 0.00 0.00 66.70 63.34 3dxj h VAL 441 Cb 0.74 2.62 -0.01 0.00 -2.01 0.00 0.00 31.29 32.63 3dxj h VAL 441 CO -0.39 0.50 1.14 -0.70 -1.01 0.00 0.00 177.57 177.11 3dxj s GLU 442 N -2.37 4.04 -0.27 4.17 2.12 -1.14 -4.71 118.70 120.54 3dxj s GLU 442 Ca -0.24 2.15 -0.25 0.00 0.36 0.00 0.00 54.97 56.98 3dxj s GLU 442 Cb 0.04 -4.04 0.10 0.00 0.26 0.00 0.00 34.13 30.48 3dxj s GLU 442 CO 0.67 -1.02 0.92 -0.08 -0.54 0.00 0.00 175.26 175.21 3dxj s THR 443 N 4.57 0.00 0.27 -1.70 -1.32 -1.26 -3.78 115.64 112.41 3dxj s THR 443 Ca 0.77 0.00 -0.31 0.00 -1.21 0.00 0.00 61.69 60.94 3dxj s THR 443 Cb -0.33 -1.00 -0.12 0.00 -1.51 0.00 0.00 72.50 69.54 3dxj s THR 443 CO 0.32 0.00 1.58 -0.81 -2.21 0.00 0.00 174.62 173.49 3dxj n PRO 444 N 2.29 2.59 -2.70 7.08 -0.04 -1.25 -4.92 135.00 138.05 3dxj n PRO 444 Ca -0.13 0.92 -0.42 0.00 -0.04 0.00 0.00 63.50 63.83 3dxj n PRO 444 Cb 0.56 -2.69 -0.03 0.00 -0.04 0.00 0.00 33.50 31.30 3dxj n PRO 444 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3dxj s GLU 445 N -0.28 4.56 0.00 0.54 2.12 -1.26 -3.41 118.70 120.97 3dxj s GLU 445 Ca 0.66 1.44 0.00 0.00 0.36 0.00 0.00 54.97 57.43 3dxj s GLU 445 Cb -0.53 -3.45 0.00 0.00 0.26 0.00 0.00 34.13 30.41 3dxj s GLU 445 CO 0.47 -0.05 0.00 0.41 -0.54 0.00 0.00 175.26 175.55 3dxj n GLY 446 N 2.88 3.04 0.00 -1.50 0.00 -1.26 -4.81 105.19 103.54 3dxj n GLY 446 Ca 0.06 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.17 3dxj n GLY 446 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dxj n ALA 447 N -1.51 0.38 0.27 4.61 0.00 -1.26 0.23 120.51 123.22 3dxj n ALA 447 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 3dxj n ALA 447 Cb 0.00 -0.34 0.26 0.00 0.00 0.00 0.00 19.45 19.37 3dxj n ALA 447 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3dxj n ASN 448 N -1.06 3.34 -4.74 0.00 3.02 -1.26 -4.96 115.26 109.59 3dxj n ASN 448 Ca 0.00 -1.97 -0.40 0.00 -0.03 0.00 0.00 54.58 52.18 3dxj n ASN 448 Cb 0.25 -0.30 0.01 0.00 -0.61 0.00 0.00 39.78 39.14 3dxj n ASN 448 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dxj n ILE 449 N 1.38 2.59 -1.13 2.41 3.06 0.62 -2.11 119.36 126.18 3dxj n ILE 449 Ca 0.20 -0.50 -0.04 0.00 -2.50 0.00 0.00 62.75 59.91 3dxj n ILE 449 Cb 0.57 -1.78 -0.02 0.00 0.54 0.00 0.00 39.64 38.95 3dxj n ILE 449 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3dxj n GLY 450 N 0.63 0.54 0.00 4.50 0.00 -1.26 -4.72 105.19 104.88 3dxj n GLY 450 Ca 0.05 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3dxj n GLY 450 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3dxj n LEU 451 N -0.49 0.00 -4.15 0.99 4.77 -0.90 -4.12 117.00 113.10 3dxj n LEU 451 Ca -0.04 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.65 3dxj n LEU 451 Cb 0.40 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.32 3dxj n LEU 451 CO 0.07 0.00 -0.52 -0.63 -1.33 0.00 0.00 177.39 174.97 3dxj s ILE 452 N -1.87 1.69 0.22 -0.08 1.01 -1.18 -2.35 121.20 118.65 3dxj s ILE 452 Ca 0.00 -0.81 -0.06 0.00 0.00 0.00 0.00 60.65 59.78 3dxj s ILE 452 Cb 0.00 -1.48 -0.02 0.00 0.01 0.00 0.00 42.46 40.96 3dxj s ILE 452 CO 0.00 0.48 0.29 0.28 0.00 0.00 0.00 174.94 175.98 3dxj s THR 453 N 0.42 0.00 0.31 2.92 -1.32 -0.72 -3.95 115.64 113.30 3dxj s THR 453 Ca -0.16 -1.74 0.08 0.00 -1.21 0.00 0.00 61.69 58.65 3dxj s THR 453 Cb -0.17 -2.37 -0.03 0.00 -1.51 0.00 0.00 72.50 68.42 3dxj s THR 453 CO 0.07 0.00 0.24 -0.55 -2.21 0.00 0.00 174.62 172.17 3dxj s SER 454 N -3.10 5.25 -0.05 8.08 0.15 -1.25 0.19 113.70 122.97 3dxj s SER 454 Ca 0.32 -0.47 -0.21 0.00 0.70 0.00 0.00 55.95 56.29 3dxj s SER 454 Cb 0.04 -1.05 -0.05 0.00 -1.71 0.00 0.00 66.02 63.25 3dxj s SER 454 CO 0.11 -0.26 0.60 -0.22 1.20 0.00 0.00 173.24 174.67 3dxj s LEU 455 N -3.93 4.35 -0.11 3.45 2.96 -0.99 -0.80 118.68 123.60 3dxj s LEU 455 Ca 0.38 1.08 -0.35 0.00 -0.22 0.00 0.00 54.13 55.02 3dxj s LEU 455 Cb -0.06 -2.91 -0.13 0.00 0.50 0.00 0.00 46.19 43.59 3dxj s LEU 455 CO 0.25 0.01 1.83 0.00 -1.32 0.00 0.00 176.35 177.12 3dxj n ALA 456 N 3.29 0.67 -0.07 5.97 0.00 0.15 -4.02 120.51 126.50 3dxj n ALA 456 Ca -0.05 0.32 -0.02 0.00 0.00 0.00 0.00 53.44 53.69 3dxj n ALA 456 Cb 0.51 -2.43 -0.02 0.00 0.00 0.00 0.00 19.45 17.51 3dxj n ALA 456 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dxj n ALA 457 N 6.13 -0.11 0.15 0.00 0.00 0.42 0.50 120.51 127.60 3dxj n ALA 457 Ca 0.23 0.15 0.03 0.00 0.00 0.00 0.00 53.44 53.85 3dxj n ALA 457 Cb 0.26 -0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.83 3dxj n ALA 457 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 3dxj h TYR 458 N 0.00 0.00 -2.74 0.00 -1.99 -1.77 -3.46 116.97 107.02 3dxj h TYR 458 Ca 0.03 0.00 -0.59 0.00 2.00 0.00 0.00 58.73 60.17 3dxj h TYR 458 Cb 0.07 0.00 0.16 0.00 2.00 0.00 0.00 36.73 38.96 3dxj h TYR 458 CO -0.22 0.49 -0.33 0.00 -0.00 0.00 0.00 178.16 178.09 3dxj n ALA 459 N -2.25 -1.12 -3.06 3.88 0.00 0.18 -4.74 120.51 113.40 3dxj n ALA 459 Ca 0.01 0.08 -0.12 0.00 0.00 0.00 0.00 53.44 53.41 3dxj n ALA 459 Cb 0.67 -1.84 -0.11 0.00 0.00 0.00 0.00 19.45 18.17 3dxj n ALA 459 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3dxj s ARG 460 N -1.88 0.30 -0.16 0.00 3.52 -0.59 -4.85 118.95 115.29 3dxj s ARG 460 Ca 0.66 -0.05 -0.04 0.00 -0.13 0.00 0.00 55.73 56.17 3dxj s ARG 460 Cb -0.52 0.13 -0.03 0.00 -1.56 0.00 0.00 34.95 32.97 3dxj s ARG 460 CO 0.56 -0.06 -0.03 0.08 -0.81 0.00 0.00 175.30 175.04 3dxj s VAL 461 N -0.52 3.93 0.50 7.11 1.01 -1.25 0.14 120.40 131.33 3dxj s VAL 461 Ca -0.06 -0.34 -0.07 0.00 0.00 0.00 0.00 61.98 61.51 3dxj s VAL 461 Cb -0.04 -2.73 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 3dxj s VAL 461 CO 0.01 0.49 0.83 1.51 0.00 0.00 0.00 175.10 177.94 3dxj s ASP 462 N 0.38 6.28 0.66 3.32 1.47 0.24 -4.82 116.67 124.19 3dxj s ASP 462 Ca -0.04 1.03 0.07 0.00 1.18 0.00 0.00 52.55 54.80 3dxj s ASP 462 Cb -0.14 -2.29 0.36 0.00 -0.34 0.00 0.00 42.92 40.51 3dxj s ASP 462 CO 0.03 -0.62 1.20 1.05 0.68 0.00 0.00 175.17 177.51 3dxj h GLU 463 N 0.20 0.00 -0.10 2.11 9.09 -1.99 2.18 114.58 126.06 3dxj h GLU 463 Ca -0.46 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.95 3dxj h GLU 463 Cb 1.20 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.30 3dxj h GLU 463 CO 0.62 0.00 0.00 -0.11 0.05 0.00 0.00 179.01 179.57 3dxj n LEU 464 N -2.59 0.82 -2.09 3.06 7.94 -1.26 -4.88 117.00 118.01 3dxj n LEU 464 Ca -0.00 -0.36 -0.14 0.00 -1.11 0.00 0.00 56.01 54.39 3dxj n LEU 464 Cb 0.87 -0.07 0.03 0.00 0.53 0.00 0.00 43.42 44.78 3dxj n LEU 464 CO 0.03 0.18 0.04 0.61 -1.11 0.00 0.00 177.39 177.14 3dxj n GLY 465 N 0.90 -0.05 3.25 -3.96 0.00 0.74 -4.82 105.19 101.24 3dxj n GLY 465 Ca 0.12 -0.18 -0.25 0.00 0.00 0.00 0.00 46.02 45.71 3dxj n GLY 465 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3dxj s PHE 466 N -3.00 1.79 0.56 1.61 0.08 -1.12 -1.25 117.98 116.64 3dxj s PHE 466 Ca 0.23 -0.37 -0.07 0.00 0.12 0.00 0.00 56.93 56.84 3dxj s PHE 466 Cb -0.10 -1.07 -0.02 0.00 -0.57 0.00 0.00 43.02 41.26 3dxj s PHE 466 CO 0.29 0.09 0.90 0.42 -0.10 0.00 0.00 175.22 176.81 3dxj s ILE 467 N -0.80 4.45 0.03 0.64 1.01 -1.26 0.79 121.20 126.07 3dxj s ILE 467 Ca 0.07 0.34 -0.13 0.00 0.00 0.00 0.00 60.65 60.93 3dxj s ILE 467 Cb -0.09 -3.74 0.02 0.00 0.01 0.00 0.00 42.46 38.66 3dxj s ILE 467 CO 0.02 -0.81 0.29 -0.13 0.00 0.00 0.00 174.94 174.30 3dxj s ARG 468 N -4.96 0.75 0.02 2.79 0.52 0.38 -4.21 118.95 114.25 3dxj s ARG 468 Ca 0.52 -0.44 0.04 0.00 -0.52 0.00 0.00 55.73 55.32 3dxj s ARG 468 Cb -0.11 0.32 -0.02 0.00 0.52 0.00 0.00 34.95 35.67 3dxj s ARG 468 CO 0.48 -0.23 -0.12 0.99 0.02 0.00 0.00 175.30 176.43 3dxj s THR 469 N -2.22 0.97 0.27 0.02 2.01 0.16 -1.54 115.64 115.29 3dxj s THR 469 Ca -0.07 -0.82 -0.31 0.00 0.31 0.00 0.00 61.69 60.79 3dxj s THR 469 Cb -0.02 -0.87 -0.12 0.00 0.01 0.00 0.00 72.50 71.50 3dxj s THR 469 CO -0.01 0.04 1.60 -2.65 -0.69 0.00 0.00 174.62 172.91 3dxj n PRO 470 N 2.16 2.62 -3.68 4.92 -0.02 -1.26 -1.85 135.00 137.89 3dxj n PRO 470 Ca -0.17 0.94 -0.11 0.00 -2.02 0.00 0.00 63.50 62.13 3dxj n PRO 470 Cb 0.55 -2.72 -0.09 0.00 -0.02 0.00 0.00 33.50 31.23 3dxj n PRO 470 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 3dxj s TYR 471 N 0.25 -0.68 -0.12 6.00 4.12 -1.14 -3.88 117.35 121.90 3dxj s TYR 471 Ca 0.67 1.52 -0.09 0.00 0.02 0.00 0.00 57.07 59.19 3dxj s TYR 471 Cb -0.52 0.30 -0.04 0.00 -1.52 0.00 0.00 41.96 40.18 3dxj s TYR 471 CO 0.45 -0.35 0.19 -0.98 0.02 0.00 0.00 175.55 174.88 3dxj s ARG 472 N 0.86 3.67 0.29 -0.62 1.70 -1.04 0.22 118.95 124.03 3dxj s ARG 472 Ca -0.05 -0.05 -0.29 0.00 -0.47 0.00 0.00 55.73 54.87 3dxj s ARG 472 Cb -0.05 -3.24 -0.10 0.00 -0.57 0.00 0.00 34.95 30.98 3dxj s ARG 472 CO -0.07 0.66 1.38 0.50 -1.08 0.00 0.00 175.30 176.69 3dxj s ARG 473 N -0.74 4.30 0.12 3.89 6.06 -0.62 -2.66 118.95 129.31 3dxj s ARG 473 Ca 0.15 2.27 0.08 0.00 -2.50 0.00 0.00 55.73 55.73 3dxj s ARG 473 Cb -0.13 -3.09 -0.04 0.00 0.06 0.00 0.00 34.95 31.76 3dxj s ARG 473 CO 0.05 -0.32 -0.10 0.54 -2.50 0.00 0.00 175.30 172.97 3dxj s VAL 474 N -0.57 3.32 -0.35 7.11 0.11 -0.58 -1.82 120.40 127.62 3dxj s VAL 474 Ca 0.54 -1.37 -0.00 0.00 -2.93 0.00 0.00 61.98 58.21 3dxj s VAL 474 Cb -0.41 -2.58 0.13 0.00 -1.53 0.00 0.00 36.38 31.99 3dxj s VAL 474 CO 0.49 0.05 0.19 -0.69 -3.33 0.00 0.00 175.10 171.81 3dxj s VAL 475 N -1.34 0.40 -0.98 2.04 1.01 0.48 -4.84 120.40 117.17 3dxj s VAL 475 Ca 0.22 -1.64 -0.23 0.00 0.00 0.00 0.00 61.98 60.33 3dxj s VAL 475 Cb -0.10 -1.30 0.03 0.00 0.00 0.00 0.00 36.38 35.01 3dxj s VAL 475 CO 0.14 -0.89 0.44 0.61 0.00 0.00 0.00 175.10 175.40 3dxj n GLY 476 N 4.28 -0.55 0.44 4.51 0.00 -1.26 0.08 105.19 112.68 3dxj n GLY 476 Ca 0.06 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.32 3dxj n GLY 476 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dxj n GLY 477 N -1.90 3.44 3.71 -0.02 0.00 -1.26 -4.80 105.19 104.36 3dxj n GLY 477 Ca -0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 3dxj n GLY 477 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dxj s VAL 478 N -2.78 5.22 -0.27 1.61 1.01 0.11 -0.06 120.40 125.24 3dxj s VAL 478 Ca 0.00 0.79 -0.13 0.00 0.00 0.00 0.00 61.98 62.64 3dxj s VAL 478 Cb 0.00 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 3dxj s VAL 478 CO 0.00 0.32 0.27 -0.69 0.00 0.00 0.00 175.10 175.00 3dxj s VAL 479 N 0.77 5.25 -0.03 2.92 1.01 -0.48 -0.39 120.40 129.45 3dxj s VAL 479 Ca 0.22 0.35 -0.13 0.00 0.00 0.00 0.00 61.98 62.42 3dxj s VAL 479 Cb -0.14 -3.60 -0.05 0.00 0.00 0.00 0.00 36.38 32.58 3dxj s VAL 479 CO 0.08 0.22 0.36 -0.89 0.00 0.00 0.00 175.10 174.86 3dxj s THR 480 N 1.85 5.12 -2.00 3.92 2.01 -0.75 -4.81 115.64 120.97 3dxj s THR 480 Ca 0.11 0.72 0.06 0.00 0.31 0.00 0.00 61.69 62.89 3dxj s THR 480 Cb -0.16 -3.66 0.17 0.00 0.01 0.00 0.00 72.50 68.86 3dxj s THR 480 CO 0.10 0.58 1.20 0.47 -0.69 0.00 0.00 174.62 176.28 3dxj n ASP 481 N 1.90 0.00 -4.53 3.53 8.00 -1.26 -4.11 116.55 120.08 3dxj n ASP 481 Ca -0.15 -1.76 -0.42 0.00 0.71 0.00 0.00 54.79 53.17 3dxj n ASP 481 Cb 0.53 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.60 3dxj n ASP 481 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3dxj s GLU 482 N -2.00 3.24 0.73 -1.24 -6.30 -1.26 -4.98 118.70 106.88 3dxj s GLU 482 Ca 0.09 -0.32 -0.11 0.00 -2.50 0.00 0.00 54.97 52.13 3dxj s GLU 482 Cb 0.04 -4.15 0.03 0.00 0.00 0.00 0.00 34.13 30.05 3dxj s GLU 482 CO 0.07 -1.92 1.08 0.54 0.02 0.00 0.00 175.26 175.05 3dxj s VAL 483 N 4.99 3.63 -0.32 3.70 0.11 -1.26 -1.58 120.40 129.67 3dxj s VAL 483 Ca 0.32 0.53 0.02 0.00 -2.93 0.00 0.00 61.98 59.93 3dxj s VAL 483 Cb -0.11 -3.35 0.16 0.00 -1.53 0.00 0.00 36.38 31.55 3dxj s VAL 483 CO 0.16 -0.69 0.39 -0.69 -3.33 0.00 0.00 175.10 170.94 3dxj s VAL 484 N -3.16 -0.54 0.69 2.04 1.01 0.58 -4.86 120.40 116.17 3dxj s VAL 484 Ca 0.59 -0.48 -0.16 0.00 0.00 0.00 0.00 61.98 61.92 3dxj s VAL 484 Cb -0.13 -0.85 0.02 0.00 0.00 0.00 0.00 36.38 35.41 3dxj s VAL 484 CO 0.54 -0.37 1.23 -0.31 0.00 0.00 0.00 175.10 176.19 3dxj s TYR 485 N 2.20 2.09 0.09 5.22 1.51 -1.25 -2.89 117.35 124.31 3dxj s TYR 485 Ca 0.12 1.56 -0.24 0.00 -1.01 0.00 0.00 57.07 57.49 3dxj s TYR 485 Cb -0.13 -3.53 0.06 0.00 -0.11 0.00 0.00 41.96 38.25 3dxj s TYR 485 CO -0.23 -2.65 0.59 1.41 -1.11 0.00 0.00 175.55 173.56 3dxj s MET 486 N -3.70 1.17 0.69 -0.62 -2.45 -0.77 -4.79 119.30 108.83 3dxj s MET 486 Ca 0.77 -0.26 0.04 0.00 -1.25 0.00 0.00 55.69 54.98 3dxj s MET 486 Cb -0.31 0.54 0.13 0.00 1.25 0.00 0.00 34.83 36.43 3dxj s MET 486 CO 0.42 -0.46 0.94 0.95 1.05 0.00 0.00 175.02 177.93 3dxj s THR 487 N -2.89 2.04 0.07 10.11 -4.23 -1.26 0.35 115.64 119.83 3dxj s THR 487 Ca -0.03 -0.76 -0.37 0.00 -1.18 0.00 0.00 61.69 59.34 3dxj s THR 487 Cb -0.01 -2.28 -0.20 0.00 1.34 0.00 0.00 72.50 71.36 3dxj s THR 487 CO -0.05 0.00 1.57 0.00 -0.54 0.00 0.00 174.62 175.59 3dxj h ALA 488 N -0.32 -1.33 0.13 3.99 0.00 -1.88 -2.62 119.26 117.23 3dxj h ALA 488 Ca -0.32 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.31 3dxj h ALA 488 Cb 1.27 0.57 -0.01 0.00 0.00 0.00 0.00 17.79 19.62 3dxj h ALA 488 CO 0.38 -1.25 -0.18 1.79 0.00 0.00 0.00 179.25 179.99 3dxj h THR 489 N -1.29 0.00 -1.32 0.00 1.35 -1.92 -1.92 112.91 107.81 3dxj h THR 489 Ca -0.12 0.00 0.46 0.00 -0.55 0.00 0.00 66.41 66.20 3dxj h THR 489 Cb 1.01 0.00 -0.14 0.00 -1.73 0.00 0.00 68.15 67.29 3dxj h THR 489 CO 0.17 0.00 0.83 -0.33 -0.25 0.00 0.00 175.52 175.94 3dxj h GLU 490 N -0.32 0.02 -0.01 4.72 5.08 -1.98 0.27 114.58 122.36 3dxj h GLU 490 Ca -0.02 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3dxj h GLU 490 Cb 0.29 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 3dxj h GLU 490 CO -0.05 0.01 0.01 1.49 -1.00 0.00 0.00 179.01 179.47 3dxj h GLU 491 N 0.02 0.01 -0.18 2.33 4.81 -0.96 -2.33 114.58 118.29 3dxj h GLU 491 Ca 0.87 -0.00 0.05 0.00 -0.13 0.00 0.00 59.36 60.15 3dxj h GLU 491 Cb 2.71 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 32.08 3dxj h GLU 491 CO -0.51 0.03 0.33 -0.44 -0.73 0.00 0.00 179.01 177.69 3dxj h ASP 492 N -0.01 0.00 0.26 1.04 3.32 -0.11 0.37 116.42 121.30 3dxj h ASP 492 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 3dxj h ASP 492 Cb 0.02 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.57 3dxj h ASP 492 CO -0.00 0.00 -0.10 0.03 -1.72 0.00 0.00 179.24 177.45 3dxj h ARG 493 N 0.00 0.00 0.00 3.56 3.08 -1.40 -3.34 114.38 116.28 3dxj h ARG 493 Ca 0.08 0.00 -0.43 0.00 0.07 0.00 0.00 59.98 59.70 3dxj h ARG 493 Cb 0.75 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.74 3dxj h ARG 493 CO -0.00 0.10 -0.26 0.66 -1.07 0.00 0.00 179.97 179.41 3dxj n TYR 494 N -3.78 -0.13 -3.94 3.04 4.02 0.12 -5.02 117.16 111.47 3dxj n TYR 494 Ca -0.02 -1.69 -0.34 0.00 -0.01 0.00 0.00 57.90 55.84 3dxj n TYR 494 Cb 0.21 -0.28 -0.14 0.00 -0.02 0.00 0.00 39.34 39.11 3dxj n TYR 494 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 3dxj s THR 495 N -2.07 2.84 -0.30 -0.72 2.01 -1.26 -3.44 115.64 112.69 3dxj s THR 495 Ca 0.12 -1.37 -0.08 0.00 0.31 0.00 0.00 61.69 60.67 3dxj s THR 495 Cb -0.01 -2.61 0.00 0.00 0.01 0.00 0.00 72.50 69.89 3dxj s THR 495 CO 0.08 -0.05 0.10 -0.63 -0.69 0.00 0.00 174.62 173.43 3dxj s ILE 496 N 1.24 4.17 0.41 1.82 1.01 -0.75 -2.11 121.20 126.98 3dxj s ILE 496 Ca -0.05 -0.59 -0.23 0.00 0.00 0.00 0.00 60.65 59.78 3dxj s ILE 496 Cb -0.19 -3.14 -0.10 0.00 0.01 0.00 0.00 42.46 39.05 3dxj s ILE 496 CO -0.02 0.09 1.00 0.00 0.00 0.00 0.00 174.94 176.00 3dxj s ALA 497 N 1.54 3.06 0.32 9.38 0.00 0.31 -1.18 121.76 135.19 3dxj s ALA 497 Ca 0.03 0.56 -0.29 0.00 0.00 0.00 0.00 51.96 52.27 3dxj s ALA 497 Cb -0.17 -3.21 -0.10 0.00 0.00 0.00 0.00 23.12 19.64 3dxj s ALA 497 CO 0.04 -0.05 1.23 -0.65 0.00 0.00 0.00 175.76 176.33 3dxj s GLN 498 N -2.75 4.40 0.16 0.00 -1.52 0.30 -1.21 119.66 119.04 3dxj s GLN 498 Ca 0.59 2.06 -0.24 0.00 -1.95 0.00 0.00 55.36 55.82 3dxj s GLN 498 Cb -0.16 -3.06 0.03 0.00 -0.22 0.00 0.00 33.01 29.60 3dxj s GLN 498 CO 0.21 -0.09 1.60 0.00 -0.25 0.00 0.00 175.29 176.76 3dxj h ALA 499 N 3.42 -0.25 0.00 6.09 0.00 -1.90 -2.01 119.26 124.61 3dxj h ALA 499 Ca -0.48 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3dxj h ALA 499 Cb 1.22 0.70 0.00 0.00 0.00 0.00 0.00 17.79 19.71 3dxj h ALA 499 CO 0.65 -0.76 0.00 0.27 0.00 0.00 0.00 179.25 179.42 3dxj n ASN 500 N -5.41 0.00 -4.69 0.00 6.94 -1.26 -4.75 115.26 106.08 3dxj n ASN 500 Ca -0.00 0.00 -0.44 0.00 -0.02 0.00 0.00 54.58 54.12 3dxj n ASN 500 Cb 0.34 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.72 3dxj n ASN 500 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 3dxj n THR 501 N -0.63 0.19 -1.53 5.53 -1.04 -0.76 -4.90 114.28 111.15 3dxj n THR 501 Ca 0.00 -0.03 -0.41 0.00 -2.04 0.00 0.00 64.05 61.57 3dxj n THR 501 Cb 0.00 -1.91 0.02 0.00 -1.82 0.00 0.00 70.33 66.62 3dxj n THR 501 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3dxj n PRO 502 N 4.70 0.87 -1.61 -2.82 -0.02 -1.26 -4.87 135.00 129.98 3dxj n PRO 502 Ca 0.18 0.32 -0.00 0.00 -2.02 0.00 0.00 63.50 61.97 3dxj n PRO 502 Cb 0.34 -1.80 -0.00 0.00 -0.02 0.00 0.00 33.50 32.01 3dxj n PRO 502 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3dxj n LEU 503 N 0.64 0.00 -3.17 2.45 7.94 -1.26 -1.53 117.00 122.07 3dxj n LEU 503 Ca 0.11 -0.08 0.05 0.00 -1.11 0.00 0.00 56.01 54.98 3dxj n LEU 503 Cb 0.42 0.07 -0.02 0.00 0.53 0.00 0.00 43.42 44.42 3dxj n LEU 503 CO 0.54 -0.02 0.51 -1.83 -1.11 0.00 0.00 177.39 175.48 3dxj s GLU 504 N -2.02 0.27 0.17 1.96 -1.05 0.44 -4.62 118.70 113.85 3dxj s GLU 504 Ca 0.01 0.50 0.00 0.00 -0.15 0.00 0.00 54.97 55.33 3dxj s GLU 504 Cb -0.00 0.28 0.00 0.00 -0.44 0.00 0.00 34.13 33.97 3dxj s GLU 504 CO 0.01 -0.27 0.00 0.41 0.95 0.00 0.00 175.26 176.35 3dxj n GLY 505 N 5.41 0.90 0.00 -3.83 0.00 -1.26 0.30 105.19 106.72 3dxj n GLY 505 Ca -0.06 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.54 3dxj n GLY 505 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3dxj n ASN 506 N 2.28 0.00 -4.74 1.61 3.02 -1.26 -4.93 115.26 111.24 3dxj n ASN 506 Ca 0.00 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.14 3dxj n ASN 506 Cb 0.00 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.15 3dxj n ASN 506 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3dxj s ARG 507 N -0.01 4.26 0.60 3.52 3.00 0.15 -1.39 118.95 129.08 3dxj s ARG 507 Ca 0.00 2.30 -0.17 0.00 0.00 0.00 0.00 55.73 57.86 3dxj s ARG 507 Cb 0.00 -3.12 -0.03 0.00 0.00 0.00 0.00 34.95 31.80 3dxj s ARG 507 CO 0.00 -0.44 1.13 0.42 0.00 0.00 0.00 175.30 176.41 3dxj s ILE 508 N 0.16 3.12 -0.64 1.52 1.01 0.91 -0.42 121.20 126.85 3dxj s ILE 508 Ca 0.61 0.62 0.05 0.00 0.00 0.00 0.00 60.65 61.92 3dxj s ILE 508 Cb -0.42 -3.18 0.31 0.00 0.01 0.00 0.00 42.46 39.19 3dxj s ILE 508 CO 0.41 -0.23 0.97 0.00 0.00 0.00 0.00 174.94 176.09 3dxj n ALA 509 N -1.84 4.62 -3.61 9.38 0.00 -0.58 -4.78 120.51 123.70 3dxj n ALA 509 Ca 0.11 -4.73 -0.08 0.00 0.00 0.00 0.00 53.44 48.74 3dxj n ALA 509 Cb 0.51 -0.92 -0.06 0.00 0.00 0.00 0.00 19.45 18.99 3dxj n ALA 509 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dxj s ALA 510 N -3.24 -1.99 -0.02 0.00 0.00 -1.26 -4.71 121.76 110.53 3dxj s ALA 510 Ca 0.45 1.72 0.11 0.00 0.00 0.00 0.00 51.96 54.25 3dxj s ALA 510 Cb 0.23 -1.14 -0.07 0.00 0.00 0.00 0.00 23.12 22.14 3dxj s ALA 510 CO -0.10 -0.26 1.35 0.93 0.00 0.00 0.00 175.76 177.69 3dxj h GLU 511 N 3.09 0.00 -4.74 0.00 5.08 -1.95 -3.39 114.58 112.66 3dxj h GLU 511 Ca -0.21 0.00 -0.41 0.00 -1.00 0.00 0.00 59.36 57.73 3dxj h GLU 511 Cb 1.17 0.00 -0.29 0.00 0.50 0.00 0.00 28.75 30.13 3dxj h GLU 511 CO 0.22 0.74 -0.78 1.03 -1.00 0.00 0.00 179.01 179.22 3dxj s ARG 512 N -2.83 0.84 0.22 2.33 1.81 -1.26 -3.52 118.95 116.54 3dxj s ARG 512 Ca 0.02 -0.34 0.11 0.00 -1.72 0.00 0.00 55.73 53.81 3dxj s ARG 512 Cb 0.09 -0.81 -0.05 0.00 -0.45 0.00 0.00 34.95 33.74 3dxj s ARG 512 CO 0.78 0.18 -0.18 0.08 -0.68 0.00 0.00 175.30 175.48 3dxj s VAL 513 N -0.10 2.65 -0.27 3.52 1.01 0.72 -4.81 120.40 123.11 3dxj s VAL 513 Ca 0.02 -2.05 -0.13 0.00 0.00 0.00 0.00 61.98 59.81 3dxj s VAL 513 Cb -0.05 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.96 3dxj s VAL 513 CO -0.00 -0.22 0.29 0.68 0.00 0.00 0.00 175.10 175.86 3dxj s VAL 514 N -1.97 5.23 0.32 2.92 -7.23 -1.26 -0.53 120.40 117.88 3dxj s VAL 514 Ca 0.25 0.40 -0.04 0.00 -1.81 0.00 0.00 61.98 60.77 3dxj s VAL 514 Cb -0.07 -3.62 0.02 0.00 0.56 0.00 0.00 36.38 33.26 3dxj s VAL 514 CO 0.13 0.20 0.49 0.00 -0.31 0.00 0.00 175.10 175.61 3dxj n ALA 515 N 5.20 -0.59 -3.75 1.32 0.00 0.45 -0.54 120.51 122.59 3dxj n ALA 515 Ca -0.11 -1.35 -0.16 0.00 0.00 0.00 0.00 53.44 51.82 3dxj n ALA 515 Cb 0.51 1.09 -0.16 0.00 0.00 0.00 0.00 19.45 20.89 3dxj n ALA 515 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3dxj s ARG 516 N -2.55 -0.04 -0.43 0.00 0.52 -0.33 0.21 118.95 116.33 3dxj s ARG 516 Ca 0.23 0.24 -0.15 0.00 -0.52 0.00 0.00 55.73 55.52 3dxj s ARG 516 Cb -0.02 -0.29 0.03 0.00 0.52 0.00 0.00 34.95 35.20 3dxj s ARG 516 CO 0.16 -0.20 0.33 1.03 0.02 0.00 0.00 175.30 176.65 3dxj s ARG 517 N 1.28 2.98 -1.56 3.54 0.52 0.73 -1.81 118.95 124.63 3dxj s ARG 517 Ca -0.07 -1.08 -0.07 0.00 -0.52 0.00 0.00 55.73 53.99 3dxj s ARG 517 Cb -0.13 -4.02 0.06 0.00 0.52 0.00 0.00 34.95 31.38 3dxj s ARG 517 CO -0.03 -0.83 0.41 0.36 0.02 0.00 0.00 175.30 175.22 3dxj n LYS 518 N 5.21 -2.37 -1.33 3.54 2.85 -1.22 0.10 118.16 124.94 3dxj n LYS 518 Ca -0.11 0.28 0.00 0.00 -1.05 0.00 0.00 58.31 57.43 3dxj n LYS 518 Cb 0.46 -4.42 0.00 0.00 -0.65 0.00 0.00 35.03 30.42 3dxj n LYS 518 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3dxj n GLY 519 N -1.93 0.68 3.24 2.58 0.00 -1.26 -4.94 105.19 103.55 3dxj n GLY 519 Ca -0.18 -0.74 -0.41 0.00 0.00 0.00 0.00 46.02 44.69 3dxj n GLY 519 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dxj s GLU 520 N -2.81 2.54 -0.65 1.61 8.01 0.28 -5.03 118.70 122.65 3dxj s GLU 520 Ca 0.00 -1.64 -0.26 0.00 0.01 0.00 0.00 54.97 53.08 3dxj s GLU 520 Cb 0.00 -3.87 -0.11 0.00 -4.31 0.00 0.00 34.13 25.84 3dxj s GLU 520 CO 0.00 -1.10 2.42 -2.30 0.01 0.00 0.00 175.26 174.29 3dxj n PRO 521 N 4.92 0.78 -4.22 0.39 -0.02 -1.26 -0.19 135.00 135.39 3dxj n PRO 521 Ca -0.09 -0.47 -0.13 0.00 -2.02 0.00 0.00 63.50 60.79 3dxj n PRO 521 Cb 0.42 -3.58 -0.10 0.00 -0.02 0.00 0.00 33.50 30.21 3dxj n PRO 521 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3dxj s VAL 522 N 13.68 1.03 0.01 -1.45 1.01 0.13 -4.98 120.40 129.84 3dxj s VAL 522 Ca 0.95 -2.01 0.02 0.00 0.00 0.00 0.00 61.98 60.94 3dxj s VAL 522 Cb -0.15 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 3dxj s VAL 522 CO 0.16 -0.77 0.02 -0.51 0.00 0.00 0.00 175.10 174.00 3dxj s ILE 523 N -3.37 4.26 -0.24 2.22 2.07 -1.25 -0.41 121.20 124.48 3dxj s ILE 523 Ca 0.15 -0.62 -0.26 0.00 -1.41 0.00 0.00 60.65 58.50 3dxj s ILE 523 Cb 0.03 -2.94 0.10 0.00 0.13 0.00 0.00 42.46 39.78 3dxj s ILE 523 CO -0.01 0.33 0.87 0.68 -1.91 0.00 0.00 174.94 174.90 3dxj s VAL 524 N -1.15 0.00 0.38 4.00 -7.23 0.31 -4.85 120.40 111.86 3dxj s VAL 524 Ca 0.21 0.00 -0.27 0.00 -1.81 0.00 0.00 61.98 60.12 3dxj s VAL 524 Cb -0.12 -1.00 -0.09 0.00 0.56 0.00 0.00 36.38 35.73 3dxj s VAL 524 CO 0.13 0.00 1.23 -0.94 -0.31 0.00 0.00 175.10 175.21 3dxj s SER 525 N -0.02 6.57 0.05 4.85 1.04 -1.23 0.26 113.70 125.22 3dxj s SER 525 Ca -0.00 2.51 -0.09 0.00 0.48 0.00 0.00 55.95 58.84 3dxj s SER 525 Cb -0.04 -2.63 -0.02 0.00 0.10 0.00 0.00 66.02 63.43 3dxj s SER 525 CO -0.01 -0.65 0.65 -2.65 0.98 0.00 0.00 173.24 171.56 3dxj n PRO 526 N 0.34 -0.13 -0.23 4.02 -0.02 -1.26 -1.96 135.00 135.76 3dxj n PRO 526 Ca 0.03 0.64 0.13 0.00 -2.02 0.00 0.00 63.50 62.27 3dxj n PRO 526 Cb 0.44 -0.94 0.24 0.00 -0.02 0.00 0.00 33.50 33.22 3dxj n PRO 526 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3dxj n GLU 527 N -3.81 -0.05 0.28 -0.52 4.71 -1.26 0.97 120.64 120.96 3dxj n GLU 527 Ca 0.01 1.00 0.16 0.00 -0.01 0.00 0.00 57.16 58.32 3dxj n GLU 527 Cb 0.08 -1.63 0.93 0.00 -1.01 0.00 0.00 31.44 29.80 3dxj n GLU 527 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 3dxj h GLU 528 N 0.00 0.00 -7.15 3.49 5.08 -1.76 -3.42 114.58 110.83 3dxj h GLU 528 Ca 0.45 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 58.31 3dxj h GLU 528 Cb 1.00 0.00 0.08 0.00 0.50 0.00 0.00 28.75 30.34 3dxj h GLU 528 CO -0.61 0.00 0.40 0.08 -1.00 0.00 0.00 179.01 177.88 3dxj s VAL 529 N -4.58 3.26 0.00 3.13 1.01 0.27 -4.89 120.40 118.60 3dxj s VAL 529 Ca -0.05 0.67 0.00 0.00 0.00 0.00 0.00 61.98 62.60 3dxj s VAL 529 Cb 0.15 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.32 3dxj s VAL 529 CO 0.53 -0.28 0.00 -0.62 0.00 0.00 0.00 175.10 174.73 3dxj n GLU 530 N -1.88 0.00 -3.85 2.72 1.02 -1.08 -4.70 120.64 112.87 3dxj n GLU 530 Ca 0.11 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.14 3dxj n GLU 530 Cb 0.52 -0.77 -0.09 0.00 -0.02 0.00 0.00 31.44 31.08 3dxj n GLU 530 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3dxj s PHE 531 N -1.81 0.03 0.12 -0.32 0.40 -0.90 -1.52 117.98 113.98 3dxj s PHE 531 Ca 0.00 -0.15 0.08 0.00 -0.60 0.00 0.00 56.93 56.26 3dxj s PHE 531 Cb 0.00 -0.03 -0.04 0.00 0.51 0.00 0.00 43.02 43.46 3dxj s PHE 531 CO 0.00 -0.35 -0.20 1.41 0.70 0.00 0.00 175.22 176.78 3dxj s MET 532 N -1.85 1.16 0.32 0.44 1.75 -1.09 0.11 119.30 120.15 3dxj s MET 532 Ca -0.11 -1.23 -0.29 0.00 -1.25 0.00 0.00 55.69 52.82 3dxj s MET 532 Cb -0.05 -1.34 -0.10 0.00 2.84 0.00 0.00 34.83 36.17 3dxj s MET 532 CO -0.00 0.30 1.35 -0.51 -0.65 0.00 0.00 175.02 175.51 3dxj s ASP 533 N -2.13 6.69 0.10 1.11 1.01 -0.35 -2.50 116.67 120.60 3dxj s ASP 533 Ca 0.09 2.74 -0.16 0.00 0.71 0.00 0.00 52.55 55.93 3dxj s ASP 533 Cb -0.09 -2.65 -0.07 0.00 1.01 0.00 0.00 42.92 41.13 3dxj s ASP 533 CO 0.05 -0.61 1.47 0.58 0.21 0.00 0.00 175.17 176.87 3dxj h VAL 534 N 3.11 1.29 -1.54 -1.27 2.07 -1.93 -3.28 116.25 114.71 3dxj h VAL 534 Ca -0.49 -1.24 0.08 0.00 0.82 0.00 0.00 66.70 65.88 3dxj h VAL 534 Cb 1.23 1.43 -0.24 0.00 -1.52 0.00 0.00 31.29 32.18 3dxj h VAL 534 CO 0.67 0.40 0.55 -0.55 0.02 0.00 0.00 177.57 178.66 3dxj s SER 535 N -6.33 -0.37 0.17 0.57 0.15 -1.26 -4.73 113.70 101.90 3dxj s SER 535 Ca -0.13 0.52 -0.24 0.00 0.70 0.00 0.00 55.95 56.80 3dxj s SER 535 Cb 0.09 0.46 0.06 0.00 -1.71 0.00 0.00 66.02 64.92 3dxj s SER 535 CO 0.80 -0.26 1.58 -0.65 1.20 0.00 0.00 173.24 175.91 3dxj h PRO 536 N 3.06 -0.22 -0.47 5.44 0.11 -1.90 -2.17 132.00 135.83 3dxj h PRO 536 Ca -0.21 0.02 0.17 0.00 0.11 0.00 0.00 66.00 66.09 3dxj h PRO 536 Cb 1.17 0.05 -0.09 0.00 0.11 0.00 0.00 31.00 32.24 3dxj h PRO 536 CO 0.24 -0.15 0.17 1.63 -0.21 0.00 0.00 178.00 179.68 3dxj n LYS 537 N -5.42 -0.03 0.10 1.05 5.02 -1.26 -0.09 118.16 117.53 3dxj n LYS 537 Ca 0.02 0.67 0.20 0.00 -2.02 0.00 0.00 58.31 57.18 3dxj n LYS 537 Cb 0.35 -1.16 0.69 0.00 -0.02 0.00 0.00 35.03 34.89 3dxj n LYS 537 CO 0.00 0.00 0.00 -0.56 -0.52 0.00 0.00 177.40 176.32 3dxj h GLN 538 N 0.00 0.00 0.05 1.97 3.07 -1.77 -2.59 115.11 115.83 3dxj h GLN 538 Ca 0.36 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 59.10 3dxj h GLN 538 Cb 0.89 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.45 3dxj h GLN 538 CO -0.39 0.00 -0.02 0.28 0.09 0.00 0.00 178.83 178.78 3dxj h VAL 539 N 0.00 1.32 -3.17 1.86 2.07 -0.72 -3.33 116.25 114.27 3dxj h VAL 539 Ca 0.19 -1.37 -0.48 0.00 0.82 0.00 0.00 66.70 65.87 3dxj h VAL 539 Cb 1.31 2.19 0.03 0.00 -1.52 0.00 0.00 31.29 33.30 3dxj h VAL 539 CO -0.00 0.33 -0.02 -0.36 0.02 0.00 0.00 177.57 177.54 3dxj s PHE 540 N -3.64 3.45 0.94 1.57 0.40 -0.98 -3.94 117.98 115.78 3dxj s PHE 540 Ca -0.16 0.53 -0.11 0.00 -0.60 0.00 0.00 56.93 56.60 3dxj s PHE 540 Cb 0.00 -2.21 0.15 0.00 0.51 0.00 0.00 43.02 41.48 3dxj s PHE 540 CO 0.62 -0.22 1.11 0.45 0.70 0.00 0.00 175.22 177.88 3dxj s SER 541 N -4.12 2.90 0.00 1.36 0.15 -1.26 0.16 113.70 112.89 3dxj s SER 541 Ca 0.46 1.89 0.00 0.00 0.70 0.00 0.00 55.95 58.99 3dxj s SER 541 Cb -0.10 -2.45 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 3dxj s SER 541 CO 0.41 -3.06 0.93 1.33 1.20 0.00 0.00 173.24 174.05 3dxj n VAL 542 N -4.19 0.00 -0.04 4.45 0.24 -1.26 -1.89 118.33 115.64 3dxj n VAL 542 Ca 0.09 1.43 0.16 0.00 -2.04 0.00 0.00 64.34 63.98 3dxj n VAL 542 Cb 0.53 -2.24 0.60 0.00 -1.47 0.00 0.00 33.84 31.26 3dxj n VAL 542 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3dxj h ASN 543 N 0.00 0.17 -0.62 -1.34 -1.07 -1.96 0.57 115.58 111.34 3dxj h ASN 543 Ca 0.00 0.01 0.07 0.00 0.07 0.00 0.00 56.30 56.45 3dxj h ASN 543 Cb 0.00 -0.03 -0.06 0.00 -2.07 0.00 0.00 38.32 36.16 3dxj h ASN 543 CO 0.00 0.10 0.29 0.74 0.07 0.00 0.00 177.43 178.63 3dxj h THR 544 N 0.19 0.88 -0.26 6.14 2.02 -1.87 -0.91 112.91 119.10 3dxj h THR 544 Ca 0.26 -0.18 0.01 0.00 0.77 0.00 0.00 66.41 67.27 3dxj h THR 544 Cb 0.79 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 3dxj h THR 544 CO -0.04 0.10 0.17 0.78 0.37 0.00 0.00 175.52 176.89 3dxj h ASN 545 N 0.53 0.27 0.00 4.18 2.35 0.88 -2.31 115.58 121.47 3dxj h ASN 545 Ca 0.29 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 3dxj h ASN 545 Cb 0.27 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.58 3dxj h ASN 545 CO -0.23 0.19 0.07 0.18 -1.65 0.00 0.00 177.43 175.99 3dxj n LEU 546 N -4.50 0.00 -4.66 1.61 4.77 -0.35 -4.55 117.00 109.32 3dxj n LEU 546 Ca 0.01 0.38 -0.41 0.00 -0.03 0.00 0.00 56.01 55.96 3dxj n LEU 546 Cb 0.10 -0.38 -0.05 0.00 -2.33 0.00 0.00 43.42 40.76 3dxj n LEU 546 CO 0.35 -0.38 0.55 -0.63 -1.33 0.00 0.00 177.39 175.95 3dxj s ILE 547 N -2.74 4.91 0.37 -0.08 1.01 -0.87 -4.41 121.20 119.38 3dxj s ILE 547 Ca 0.00 1.49 -0.25 0.00 0.00 0.00 0.00 60.65 61.88 3dxj s ILE 547 Cb 0.00 -4.08 -0.09 0.00 0.01 0.00 0.00 42.46 38.30 3dxj s ILE 547 CO 0.00 0.03 1.05 -2.16 0.00 0.00 0.00 174.94 173.85 3dxj s PRO 548 N 2.26 4.31 -1.36 2.79 0.04 -1.26 -3.60 135.00 138.17 3dxj s PRO 548 Ca 0.35 1.55 -0.09 0.00 0.04 0.00 0.00 61.00 62.85 3dxj s PRO 548 Cb -0.16 -2.71 0.06 0.00 0.04 0.00 0.00 34.50 31.73 3dxj s PRO 548 CO 0.11 -0.02 0.56 1.19 0.04 0.00 0.00 177.00 178.87 3dxj n PHE 549 N 0.27 -1.87 -0.31 0.56 3.72 -1.26 -4.81 117.46 113.76 3dxj n PHE 549 Ca 0.03 0.52 0.09 0.00 -0.05 0.00 0.00 57.45 58.04 3dxj n PHE 549 Cb 0.49 -3.33 0.25 0.00 -0.94 0.00 0.00 39.48 35.95 3dxj n PHE 549 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 3dxj h LEU 550 N -1.15 0.56 0.00 4.37 5.85 -1.90 0.27 115.31 123.29 3dxj h LEU 550 Ca -0.46 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.36 3dxj h LEU 550 Cb 1.31 0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.35 3dxj h LEU 550 CO 0.56 0.21 0.00 -1.84 -0.34 0.00 0.00 178.44 177.03 3dxj n GLU 551 N -4.87 0.00 -0.00 1.25 0.00 -1.26 -1.90 120.64 113.86 3dxj n GLU 551 Ca 0.19 0.00 0.01 0.00 0.00 0.00 0.00 57.16 57.35 3dxj n GLU 551 Cb 0.48 -1.22 -0.01 0.00 0.00 0.00 0.00 31.44 30.69 3dxj n GLU 551 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 3dxj n HIS 552 N -0.69 0.00 -4.20 -1.84 8.25 0.08 -5.03 115.22 111.79 3dxj n HIS 552 Ca 0.00 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.21 3dxj n HIS 552 Cb 0.00 -0.01 -0.07 0.00 1.12 0.00 0.00 29.99 31.03 3dxj n HIS 552 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3dxj s ASP 553 N -1.39 4.88 0.25 0.41 1.11 -0.80 -3.64 116.67 117.49 3dxj s ASP 553 Ca 0.00 -0.40 -0.30 0.00 0.18 0.00 0.00 52.55 52.04 3dxj s ASP 553 Cb 0.01 -1.07 -0.09 0.00 1.07 0.00 0.00 42.92 42.84 3dxj s ASP 553 CO 0.05 0.06 1.15 -0.62 1.18 0.00 0.00 175.17 176.99 3dxj s ASP 554 N -3.17 7.16 0.29 0.27 2.15 -1.04 -4.88 116.67 117.44 3dxj s ASP 554 Ca 0.29 2.30 0.00 0.00 0.43 0.00 0.00 52.55 55.57 3dxj s ASP 554 Cb -0.09 -2.62 0.68 0.00 -0.30 0.00 0.00 42.92 40.59 3dxj s ASP 554 CO 0.20 -0.26 1.62 0.00 -0.17 0.00 0.00 175.17 176.56 3dxj h ALA 555 N 4.24 1.16 -0.01 3.66 0.00 -1.94 -0.78 119.26 125.59 3dxj h ALA 555 Ca -0.46 0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.73 3dxj h ALA 555 Cb 1.21 0.41 -0.05 0.00 0.00 0.00 0.00 17.79 19.37 3dxj h ALA 555 CO 0.69 -0.50 -0.46 -0.91 0.00 0.00 0.00 179.25 178.07 3dxj h ASN 556 N 0.13 -1.44 0.08 0.00 2.35 -1.97 0.85 115.58 115.58 3dxj h ASN 556 Ca 0.54 0.16 -0.02 0.00 -0.55 0.00 0.00 56.30 56.44 3dxj h ASN 556 Cb 1.08 0.55 -0.00 0.00 0.05 0.00 0.00 38.32 40.00 3dxj h ASN 556 CO -0.73 -0.45 -0.07 -0.09 -1.65 0.00 0.00 177.43 174.44 3dxj h ARG 557 N -0.57 0.00 -0.51 0.81 9.65 -1.74 -0.39 114.38 121.63 3dxj h ARG 557 Ca 0.01 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.88 3dxj h ARG 557 Cb 0.62 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.17 3dxj h ARG 557 CO -0.32 0.07 0.27 0.00 2.80 0.00 0.00 179.97 182.80 3dxj h ALA 558 N 1.93 0.66 -0.69 2.80 0.00 0.68 -1.38 119.26 123.25 3dxj h ALA 558 Ca -0.00 -0.10 0.14 0.00 0.00 0.00 0.00 54.91 54.96 3dxj h ALA 558 Cb 0.13 -0.20 -0.13 0.00 0.00 0.00 0.00 17.79 17.59 3dxj h ALA 558 CO 0.01 0.18 -0.11 1.25 0.00 0.00 0.00 179.25 180.59 3dxj h LEU 559 N 0.68 -0.52 -0.41 0.00 5.85 0.24 -0.03 115.31 121.11 3dxj h LEU 559 Ca 0.18 0.19 0.09 0.00 0.84 0.00 0.00 57.88 59.18 3dxj h LEU 559 Cb 0.06 0.38 -0.08 0.00 0.37 0.00 0.00 40.66 41.39 3dxj h LEU 559 CO -0.03 -0.20 -0.15 0.24 -0.34 0.00 0.00 178.44 177.96 3dxj h MET 560 N 0.04 -0.06 -0.09 1.25 2.86 -1.13 -2.64 114.93 115.15 3dxj h MET 560 Ca 0.34 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 58.00 3dxj h MET 560 Cb 0.55 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.21 3dxj h MET 560 CO -0.67 -0.04 -0.16 0.78 1.06 0.00 0.00 176.91 177.88 3dxj h GLY 561 N -0.06 -1.58 -0.67 8.32 0.00 -0.67 0.19 103.07 108.60 3dxj h GLY 561 Ca 0.20 0.75 0.06 0.00 0.00 0.00 0.00 47.33 48.35 3dxj h GLY 561 CO -0.46 -0.53 -0.46 1.76 0.00 0.00 0.00 176.54 176.85 3dxj h SER 562 N -0.14 -1.66 -0.55 0.19 0.02 -1.31 0.16 113.55 110.26 3dxj h SER 562 Ca 0.02 0.24 0.09 0.00 -0.84 0.00 0.00 61.79 61.30 3dxj h SER 562 Cb 0.19 0.72 -0.10 0.00 0.14 0.00 0.00 62.40 63.34 3dxj h SER 562 CO -0.16 -0.22 -0.41 0.78 -1.14 0.00 0.00 176.83 175.69 3dxj h ASN 563 N -0.08 -1.40 -0.60 3.07 4.21 -1.14 -1.21 115.58 118.43 3dxj h ASN 563 Ca 0.11 0.24 0.10 0.00 1.21 0.00 0.00 56.30 57.96 3dxj h ASN 563 Cb 0.36 0.64 -0.08 0.00 -1.12 0.00 0.00 38.32 38.13 3dxj h ASN 563 CO -0.68 -0.33 0.18 0.24 -1.29 0.00 0.00 177.43 175.55 3dxj h MET 564 N -0.23 0.33 -0.85 0.81 2.86 0.19 -0.86 114.93 117.17 3dxj h MET 564 Ca 0.18 -0.02 0.21 0.00 -2.06 0.00 0.00 59.70 58.02 3dxj h MET 564 Cb 0.56 -0.07 -0.05 0.00 0.06 0.00 0.00 31.60 32.10 3dxj h MET 564 CO -0.66 0.22 0.58 1.96 1.06 0.00 0.00 176.91 180.07 3dxj h GLN 565 N 0.34 0.24 0.00 1.72 4.20 0.43 0.67 115.11 122.70 3dxj h GLN 565 Ca 0.31 -0.01 -0.09 0.00 0.06 0.00 0.00 58.65 58.91 3dxj h GLN 565 Cb 0.43 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 3dxj h GLN 565 CO -0.35 0.16 -0.44 1.15 -0.67 0.00 0.00 178.83 178.68 3dxj h THR 566 N 0.25 1.13 -0.37 -0.54 2.02 -0.93 -2.53 112.91 111.94 3dxj h THR 566 Ca 0.43 -1.60 0.00 0.00 0.77 0.00 0.00 66.41 66.01 3dxj h THR 566 Cb 1.29 1.91 0.00 0.00 -1.74 0.00 0.00 68.15 69.61 3dxj h THR 566 CO -0.11 0.43 0.00 0.00 0.37 0.00 0.00 175.52 176.21 3dxj n GLN 567 N -3.75 1.95 -2.55 6.66 6.02 0.23 -4.50 117.38 121.43 3dxj n GLN 567 Ca -0.01 -1.46 -0.41 0.00 -0.01 0.00 0.00 57.00 55.11 3dxj n GLN 567 Cb 0.50 -1.35 -0.04 0.00 1.02 0.00 0.00 30.24 30.37 3dxj n GLN 567 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3dxj s ALA 568 N -1.51 3.38 -0.09 -1.58 0.00 -0.81 -1.60 121.76 119.55 3dxj s ALA 568 Ca 0.29 0.81 -0.01 0.00 0.00 0.00 0.00 51.96 53.05 3dxj s ALA 568 Cb 0.16 -3.31 -0.03 0.00 0.00 0.00 0.00 23.12 19.93 3dxj s ALA 568 CO 0.21 -0.11 -0.03 0.54 0.00 0.00 0.00 175.76 176.38 3dxj s VAL 569 N -0.78 4.07 -0.43 0.00 0.11 -0.86 -4.45 120.40 118.06 3dxj s VAL 569 Ca 0.46 -0.33 -0.26 0.00 -2.93 0.00 0.00 61.98 58.91 3dxj s VAL 569 Cb -0.30 -2.70 -0.06 0.00 -1.53 0.00 0.00 36.38 31.79 3dxj s VAL 569 CO 0.37 0.59 2.36 -2.84 -3.33 0.00 0.00 175.10 172.25 3dxj s PRO 570 N -0.72 2.34 0.61 1.54 0.02 -1.26 -4.71 135.00 132.82 3dxj s PRO 570 Ca 0.11 1.55 -0.11 0.00 0.02 0.00 0.00 61.00 62.57 3dxj s PRO 570 Cb -0.11 -4.53 -0.04 0.00 0.02 0.00 0.00 34.50 29.83 3dxj s PRO 570 CO 0.02 -3.00 1.02 -0.51 -0.33 0.00 0.00 177.00 174.19 3dxj s LEU 571 N 11.29 3.26 0.07 -5.54 1.43 -1.26 -4.53 118.68 123.39 3dxj s LEU 571 Ca 0.98 1.40 -0.19 0.00 -1.03 0.00 0.00 54.13 55.30 3dxj s LEU 571 Cb -0.21 -4.44 -0.11 0.00 0.03 0.00 0.00 46.19 41.46 3dxj s LEU 571 CO 0.28 -0.85 1.43 0.16 0.23 0.00 0.00 176.35 177.60 3dxj h ILE 572 N -0.25 1.31 -1.43 -0.59 3.07 -1.69 -3.19 117.51 114.73 3dxj h ILE 572 Ca -0.44 -1.18 -0.76 0.00 1.55 0.00 0.00 64.86 64.03 3dxj h ILE 572 Cb 1.19 1.62 -0.16 0.00 -0.27 0.00 0.00 36.82 39.20 3dxj h ILE 572 CO 0.62 0.36 2.08 0.54 -1.05 0.00 0.00 178.15 180.70 3dxj n ARG 573 N -4.53 4.57 -1.57 0.16 1.74 -1.26 -5.00 116.66 110.77 3dxj n ARG 573 Ca -0.05 -3.70 -0.38 0.00 -0.77 0.00 0.00 57.85 52.95 3dxj n ARG 573 Cb 0.34 -2.65 0.04 0.00 -1.02 0.00 0.00 32.46 29.17 3dxj n ARG 573 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3dxj n ALA 574 N 1.78 -0.18 -3.52 7.54 0.00 -1.21 -4.84 120.51 120.08 3dxj n ALA 574 Ca 0.55 0.03 -0.12 0.00 0.00 0.00 0.00 53.44 53.91 3dxj n ALA 574 Cb 0.27 -2.03 -0.09 0.00 0.00 0.00 0.00 19.45 17.60 3dxj n ALA 574 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3dxj s GLN 575 N -2.45 0.57 0.25 0.00 -0.21 -0.52 -4.94 119.66 112.36 3dxj s GLN 575 Ca 0.72 0.81 -0.06 0.00 0.02 0.00 0.00 55.36 56.86 3dxj s GLN 575 Cb -0.45 0.19 -0.06 0.00 1.00 0.00 0.00 33.01 33.70 3dxj s GLN 575 CO 0.51 -0.11 0.52 0.00 -2.12 0.00 0.00 175.29 174.09 3dxj s ALA 576 N 0.75 3.65 0.66 6.09 0.00 -1.26 -3.35 121.76 128.31 3dxj s ALA 576 Ca -0.04 -0.52 -0.17 0.00 0.00 0.00 0.00 51.96 51.24 3dxj s ALA 576 Cb -0.05 -2.28 -0.04 0.00 0.00 0.00 0.00 23.12 20.75 3dxj s ALA 576 CO -0.06 0.38 0.74 -2.30 0.00 0.00 0.00 175.76 174.52 3dxj n PRO 577 N -0.59 0.54 0.00 0.00 -0.02 -1.26 -4.78 135.00 128.88 3dxj n PRO 577 Ca -0.01 0.22 0.10 0.00 -2.02 0.00 0.00 63.50 61.79 3dxj n PRO 577 Cb 0.53 -1.98 0.53 0.00 -0.02 0.00 0.00 33.50 32.57 3dxj n PRO 577 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3dxj n VAL 578 N -2.12 0.32 -3.68 -1.45 0.24 -1.26 -4.54 118.33 105.84 3dxj n VAL 578 Ca 0.12 0.08 -0.10 0.00 -2.04 0.00 0.00 64.34 62.40 3dxj n VAL 578 Cb 0.49 -0.74 -0.10 0.00 -1.47 0.00 0.00 33.84 32.01 3dxj n VAL 578 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3dxj s VAL 579 N -2.49 -0.16 0.11 3.34 0.11 -1.25 -0.15 120.40 119.90 3dxj s VAL 579 Ca 0.21 0.10 0.05 0.00 -2.93 0.00 0.00 61.98 59.41 3dxj s VAL 579 Cb 0.14 -0.67 -0.04 0.00 -1.53 0.00 0.00 36.38 34.28 3dxj s VAL 579 CO 0.30 0.04 -0.12 -0.04 -3.33 0.00 0.00 175.10 171.95 3dxj s MET 580 N 1.69 0.94 0.13 1.54 1.00 0.82 -4.92 119.30 120.49 3dxj s MET 580 Ca -0.08 -1.18 -0.13 0.00 0.00 0.00 0.00 55.69 54.30 3dxj s MET 580 Cb -0.09 -0.74 -0.04 0.00 0.00 0.00 0.00 34.83 33.96 3dxj s MET 580 CO -0.14 0.14 1.49 1.79 0.00 0.00 0.00 175.02 178.30 3dxj h THR 581 N 3.59 1.28 0.00 2.05 1.35 -1.77 0.27 112.91 119.68 3dxj h THR 581 Ca -0.39 -1.39 0.00 0.00 -0.55 0.00 0.00 66.41 64.09 3dxj h THR 581 Cb 1.19 1.35 0.00 0.00 -1.73 0.00 0.00 68.15 68.96 3dxj h THR 581 CO 0.51 0.46 0.00 0.61 -0.25 0.00 0.00 175.52 176.85 3dxj n GLY 582 N 0.00 0.75 0.16 5.82 0.00 -1.26 -3.96 105.19 106.71 3dxj n GLY 582 Ca -0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 3dxj n GLY 582 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3dxj h LEU 583 N 0.00 0.84 -0.11 0.99 3.38 -1.92 -3.39 115.31 115.10 3dxj h LEU 583 Ca 0.00 -0.83 0.02 0.00 0.09 0.00 0.00 57.88 57.15 3dxj h LEU 583 Cb 0.00 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 3dxj h LEU 583 CO 0.00 1.64 -0.05 -1.84 0.09 0.00 0.00 178.44 178.28 3dxj n GLU 584 N -3.74 -0.03 0.03 1.13 0.00 -1.26 0.17 120.64 116.93 3dxj n GLU 584 Ca -0.15 0.17 -0.13 0.00 0.00 0.00 0.00 57.16 57.06 3dxj n GLU 584 Cb 1.04 -0.25 -0.08 0.00 0.00 0.00 0.00 31.44 32.15 3dxj n GLU 584 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 3dxj h GLU 585 N 0.00 -0.02 -0.69 3.44 4.81 -1.81 -3.03 114.58 117.27 3dxj h GLU 585 Ca 0.03 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.25 3dxj h GLU 585 Cb 0.06 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.41 3dxj h GLU 585 CO -0.11 0.19 0.36 -0.09 -0.73 0.00 0.00 179.01 178.63 3dxj h ARG 586 N -0.23 0.97 0.00 1.92 9.65 0.15 -3.30 114.38 123.54 3dxj h ARG 586 Ca -0.00 -0.12 0.00 0.00 -1.10 0.00 0.00 59.98 58.76 3dxj h ARG 586 Cb 0.22 -0.19 0.00 0.00 -1.39 0.00 0.00 29.97 28.61 3dxj h ARG 586 CO 0.00 0.73 0.00 0.28 2.80 0.00 0.00 179.97 183.79 3dxj n VAL 587 N -4.35 0.00 -0.26 0.20 0.31 0.45 -2.63 118.33 112.04 3dxj n VAL 587 Ca 0.07 1.50 0.26 0.00 -0.01 0.00 0.00 64.34 66.15 3dxj n VAL 587 Cb 0.12 -2.29 0.48 0.00 -0.91 0.00 0.00 33.84 31.23 3dxj n VAL 587 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3dxj n VAL 588 N -2.41 -0.34 0.46 2.52 0.31 -1.20 0.36 118.33 118.04 3dxj n VAL 588 Ca 0.00 1.63 -0.20 0.00 -0.01 0.00 0.00 64.34 65.76 3dxj n VAL 588 Cb 0.00 -2.65 -0.10 0.00 -0.91 0.00 0.00 33.84 30.18 3dxj n VAL 588 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 3dxj h ARG 589 N 0.00 -1.19 -0.62 5.55 3.08 -1.63 -1.70 114.38 117.88 3dxj h ARG 589 Ca 0.68 0.08 -0.07 0.00 0.07 0.00 0.00 59.98 60.75 3dxj h ARG 589 Cb 1.82 0.27 -0.03 0.00 0.08 0.00 0.00 29.97 32.11 3dxj h ARG 589 CO -0.61 -0.79 0.12 -0.44 -1.07 0.00 0.00 179.97 177.17 3dxj h ASP 590 N -1.23 0.95 0.13 7.04 3.45 -0.05 -2.13 116.42 124.58 3dxj h ASP 590 Ca -0.12 -0.21 -0.02 0.00 0.43 0.00 0.00 57.03 57.12 3dxj h ASP 590 Cb 0.97 -0.25 -0.00 0.00 -0.56 0.00 0.00 39.33 39.48 3dxj h ASP 590 CO 0.16 0.94 -0.07 0.77 -1.57 0.00 0.00 179.24 179.46 3dxj h SER 591 N 0.94 0.00 -3.19 6.45 4.64 -0.81 -3.46 113.55 118.12 3dxj h SER 591 Ca 0.19 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.38 3dxj h SER 591 Cb 0.39 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 62.54 3dxj h SER 591 CO 0.01 0.07 -0.28 0.18 -0.87 0.00 0.00 176.83 175.94 3dxj n LEU 592 N -4.05 -2.69 -0.10 5.97 4.77 -0.67 -4.98 117.00 115.25 3dxj n LEU 592 Ca -0.03 -0.23 -0.21 0.00 -0.03 0.00 0.00 56.01 55.52 3dxj n LEU 592 Cb 0.16 -1.50 -0.12 0.00 -2.33 0.00 0.00 43.42 39.63 3dxj n LEU 592 CO 0.31 0.19 -0.41 0.00 -1.33 0.00 0.00 177.39 176.15 3dxj h ALA 593 N 0.37 0.23 -1.24 -1.18 0.00 -1.71 -3.49 119.26 112.24 3dxj h ALA 593 Ca -0.22 -1.13 -0.49 0.00 0.00 0.00 0.00 54.91 53.07 3dxj h ALA 593 Cb 1.14 0.65 -0.01 0.00 0.00 0.00 0.00 17.79 19.56 3dxj h ALA 593 CO 0.20 0.62 -0.30 0.00 0.00 0.00 0.00 179.25 179.78 3dxj s ALA 594 N -2.35 4.32 -0.12 0.00 0.00 -1.26 -3.16 121.76 119.19 3dxj s ALA 594 Ca -0.28 -1.79 -0.03 0.00 0.00 0.00 0.00 51.96 49.86 3dxj s ALA 594 Cb 0.05 -1.17 -0.03 0.00 0.00 0.00 0.00 23.12 21.97 3dxj s ALA 594 CO 0.60 -0.37 -0.01 -0.51 0.00 0.00 0.00 175.76 175.48 3dxj s LEU 595 N -4.28 3.49 0.37 0.00 1.43 -0.53 -4.89 118.68 114.26 3dxj s LEU 595 Ca 0.50 0.04 0.08 0.00 -1.03 0.00 0.00 54.13 53.72 3dxj s LEU 595 Cb -0.05 -1.82 -0.07 0.00 0.03 0.00 0.00 46.19 44.28 3dxj s LEU 595 CO 0.30 0.28 -0.01 -0.31 0.23 0.00 0.00 176.35 176.83 3dxj s TYR 596 N -0.29 2.49 -0.23 0.29 1.51 -1.25 0.21 117.35 120.08 3dxj s TYR 596 Ca 0.06 -0.55 -0.21 0.00 -1.01 0.00 0.00 57.07 55.36 3dxj s TYR 596 Cb -0.12 -1.59 -0.02 0.00 -0.11 0.00 0.00 41.96 40.12 3dxj s TYR 596 CO 0.02 0.48 0.65 0.00 -1.11 0.00 0.00 175.55 175.59 3dxj s ALA 597 N -2.62 3.59 -2.02 3.71 0.00 0.92 -4.85 121.76 120.48 3dxj s ALA 597 Ca 0.35 -0.35 0.11 0.00 0.00 0.00 0.00 51.96 52.06 3dxj s ALA 597 Cb 0.05 -3.03 0.58 0.00 0.00 0.00 0.00 23.12 20.72 3dxj s ALA 597 CO 0.18 -0.73 1.39 -0.85 0.00 0.00 0.00 175.76 175.75 3dxj n GLU 598 N 5.50 1.13 -3.92 0.00 0.28 -1.26 0.17 120.64 122.54 3dxj n GLU 598 Ca -0.00 -0.20 0.04 0.00 -0.16 0.00 0.00 57.16 56.84 3dxj n GLU 598 Cb 0.49 -1.19 0.01 0.00 1.43 0.00 0.00 31.44 32.18 3dxj n GLU 598 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 3dxj s GLU 599 N -1.95 0.20 0.21 3.44 2.56 -1.26 -4.87 118.70 117.04 3dxj s GLU 599 Ca 0.17 -0.13 -0.01 0.00 0.00 0.00 0.00 54.97 55.00 3dxj s GLU 599 Cb 0.08 0.06 -0.04 0.00 2.00 0.00 0.00 34.13 36.23 3dxj s GLU 599 CO 0.13 -0.10 0.41 0.16 -0.56 0.00 0.00 175.26 175.30 3dxj s ASP 600 N -3.70 6.39 0.00 -1.70 -4.77 -1.25 -3.11 116.67 108.52 3dxj s ASP 600 Ca 0.28 0.42 0.00 0.00 -3.30 0.00 0.00 52.55 49.94 3dxj s ASP 600 Cb 0.01 -2.02 0.00 0.00 -1.09 0.00 0.00 42.92 39.83 3dxj s ASP 600 CO -0.03 -0.06 0.00 0.61 0.70 0.00 0.00 175.17 176.39 3dxj n GLY 601 N -0.74 -0.86 3.71 2.12 0.00 0.89 -1.42 105.19 108.90 3dxj n GLY 601 Ca -0.05 -0.83 -0.30 0.00 0.00 0.00 0.00 46.02 44.85 3dxj n GLY 601 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3dxj s GLU 602 N -0.61 2.63 -0.44 1.61 2.12 -0.95 0.33 118.70 123.39 3dxj s GLU 602 Ca 0.00 -0.81 -0.28 0.00 0.36 0.00 0.00 54.97 54.24 3dxj s GLU 602 Cb 0.00 -2.58 -0.00 0.00 0.26 0.00 0.00 34.13 31.80 3dxj s GLU 602 CO 0.00 0.54 1.63 0.08 -0.54 0.00 0.00 175.26 176.97 3dxj s VAL 603 N -1.35 3.64 0.00 3.70 1.01 0.37 -2.42 120.40 125.35 3dxj s VAL 603 Ca 0.27 0.60 0.00 0.00 0.00 0.00 0.00 61.98 62.85 3dxj s VAL 603 Cb -0.12 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 32.26 3dxj s VAL 603 CO 0.19 -0.73 0.05 0.00 0.00 0.00 0.00 175.10 174.60 3dxj n ALA 604 N 10.14 0.00 -2.41 5.51 0.00 -0.65 0.04 120.51 133.14 3dxj n ALA 604 Ca 0.19 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.34 3dxj n ALA 604 Cb 0.48 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.80 3dxj n ALA 604 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3dxj s LYS 605 N -0.09 1.43 -0.32 0.00 1.02 -0.86 -4.53 119.74 116.39 3dxj s LYS 605 Ca 0.00 -1.27 0.17 0.00 0.02 0.00 0.00 55.97 54.89 3dxj s LYS 605 Cb 0.00 -1.83 0.45 0.00 -0.52 0.00 0.00 37.83 35.93 3dxj s LYS 605 CO 0.00 0.44 1.28 1.33 -0.92 0.00 0.00 175.35 177.48 3dxj n VAL 606 N 1.11 0.61 -0.70 3.17 0.24 -1.25 0.16 118.33 121.66 3dxj n VAL 606 Ca -0.18 -2.05 -0.31 0.00 -2.04 0.00 0.00 64.34 59.75 3dxj n VAL 606 Cb 0.53 1.07 0.16 0.00 -1.47 0.00 0.00 33.84 34.13 3dxj n VAL 606 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 3dxj n ASP 607 N -0.88 -0.57 -0.23 -1.34 2.03 -0.53 -4.82 116.55 110.20 3dxj n ASP 607 Ca -0.03 0.35 0.20 0.00 0.52 0.00 0.00 54.79 55.82 3dxj n ASP 607 Cb 0.84 -1.37 0.53 0.00 -0.72 0.00 0.00 41.12 40.40 3dxj n ASP 607 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 3dxj h GLY 608 N -1.85 0.79 1.89 0.27 0.00 -2.02 -1.38 103.07 100.77 3dxj h GLY 608 Ca -0.44 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 46.72 3dxj h GLY 608 CO 0.39 -0.01 -0.09 3.43 0.00 0.00 0.00 176.54 180.27 3dxj h ASN 609 N 0.37 0.00 -4.68 0.19 2.35 -1.92 -3.47 115.58 108.41 3dxj h ASN 609 Ca 0.46 -0.02 0.18 0.00 -0.55 0.00 0.00 56.30 56.37 3dxj h ASN 609 Cb 1.21 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 39.43 3dxj h ASN 609 CO -0.16 0.01 0.61 0.00 -1.65 0.00 0.00 177.43 176.24 3dxj s ARG 610 N -3.14 0.68 0.08 0.81 1.70 -0.52 -3.06 118.95 115.49 3dxj s ARG 610 Ca 0.09 -0.28 0.06 0.00 -0.47 0.00 0.00 55.73 55.12 3dxj s ARG 610 Cb 0.10 0.29 -0.03 0.00 -0.57 0.00 0.00 34.95 34.75 3dxj s ARG 610 CO 0.63 -0.30 -0.15 0.42 -1.08 0.00 0.00 175.30 174.82 3dxj s ILE 611 N -2.88 1.20 0.02 4.99 1.01 -1.09 -1.45 121.20 123.00 3dxj s ILE 611 Ca 0.08 -1.36 0.00 0.00 0.00 0.00 0.00 60.65 59.37 3dxj s ILE 611 Cb -0.01 -1.16 -0.02 0.00 0.01 0.00 0.00 42.46 41.28 3dxj s ILE 611 CO -0.06 -0.21 -0.03 -0.69 0.00 0.00 0.00 174.94 173.94 3dxj s VAL 612 N -1.30 0.15 0.03 2.92 1.01 0.41 0.32 120.40 123.95 3dxj s VAL 612 Ca -0.00 -0.88 -0.05 0.00 0.00 0.00 0.00 61.98 61.04 3dxj s VAL 612 Cb -0.10 -0.29 -0.01 0.00 0.00 0.00 0.00 36.38 35.99 3dxj s VAL 612 CO 0.03 -0.46 0.09 0.68 0.00 0.00 0.00 175.10 175.44 3dxj s VAL 613 N -1.37 0.12 -0.13 2.92 -7.23 -0.61 -1.63 120.40 112.47 3dxj s VAL 613 Ca -0.14 -0.99 -0.04 0.00 -1.81 0.00 0.00 61.98 59.00 3dxj s VAL 613 Cb -0.09 -0.73 -0.03 0.00 0.56 0.00 0.00 36.38 36.08 3dxj s VAL 613 CO -0.01 -0.54 0.01 -0.60 -0.31 0.00 0.00 175.10 173.65 3dxj s ARG 614 N -2.22 3.44 0.19 4.82 3.52 -1.01 -0.84 118.95 126.84 3dxj s ARG 614 Ca -0.08 -0.41 -0.05 0.00 -0.13 0.00 0.00 55.73 55.06 3dxj s ARG 614 Cb -0.03 -2.94 -0.06 0.00 -1.56 0.00 0.00 34.95 30.36 3dxj s ARG 614 CO -0.03 0.47 0.43 0.71 -0.81 0.00 0.00 175.30 176.07 3dxj s TYR 615 N -0.22 3.47 0.06 5.12 1.51 0.90 -2.24 117.35 125.95 3dxj s TYR 615 Ca 0.06 0.58 -0.12 0.00 -1.01 0.00 0.00 57.07 56.57 3dxj s TYR 615 Cb -0.12 -2.03 -0.03 0.00 -0.11 0.00 0.00 41.96 39.67 3dxj s TYR 615 CO 0.02 0.36 0.70 -0.85 -1.11 0.00 0.00 175.55 174.67 3dxj n GLU 616 N -0.22 -0.17 -0.31 -0.62 0.28 -0.51 0.32 120.64 119.42 3dxj n GLU 616 Ca -0.02 0.69 0.10 0.00 -0.16 0.00 0.00 57.16 57.77 3dxj n GLU 616 Cb 0.52 -1.01 0.27 0.00 1.43 0.00 0.00 31.44 32.65 3dxj n GLU 616 CO 0.00 0.00 0.00 0.38 -0.16 0.00 0.00 177.13 177.35 3dxj h ASP 617 N 0.00 0.51 0.00 -1.84 2.03 -1.94 -3.45 116.42 111.73 3dxj h ASP 617 Ca 0.06 0.11 0.00 0.00 -0.73 0.00 0.00 57.03 56.47 3dxj h ASP 617 Cb 0.16 0.04 0.00 0.00 -0.83 0.00 0.00 39.33 38.70 3dxj h ASP 617 CO -0.37 0.16 0.00 0.61 -1.03 0.00 0.00 179.24 178.61 3dxj n GLY 618 N -1.33 0.58 3.36 7.15 0.00 0.96 -5.14 105.19 110.77 3dxj n GLY 618 Ca 0.20 -0.49 -0.32 0.00 0.00 0.00 0.00 46.02 45.41 3dxj n GLY 618 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dxj s ARG 619 N 0.00 2.78 -0.59 1.61 0.52 -1.19 -4.79 118.95 117.29 3dxj s ARG 619 Ca 0.00 -0.77 -0.09 0.00 -0.52 0.00 0.00 55.73 54.34 3dxj s ARG 619 Cb 0.00 -2.37 0.15 0.00 0.52 0.00 0.00 34.95 33.26 3dxj s ARG 619 CO 0.00 0.41 0.47 -0.51 0.02 0.00 0.00 175.30 175.70 3dxj s LEU 620 N -0.20 5.87 -0.38 2.53 1.43 -1.25 -0.07 118.68 126.61 3dxj s LEU 620 Ca -0.01 -2.31 -0.12 0.00 -1.03 0.00 0.00 54.13 50.66 3dxj s LEU 620 Cb -0.13 -2.03 0.02 0.00 0.03 0.00 0.00 46.19 44.08 3dxj s LEU 620 CO 0.03 -0.60 0.23 -0.69 0.23 0.00 0.00 176.35 175.55 3dxj s VAL 621 N 0.76 4.75 -0.03 -1.59 1.01 -0.02 -4.86 120.40 120.42 3dxj s VAL 621 Ca 0.11 -0.79 -0.25 0.00 0.00 0.00 0.00 61.98 61.05 3dxj s VAL 621 Cb -0.21 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 3dxj s VAL 621 CO -0.03 -0.24 0.76 -0.70 0.00 0.00 0.00 175.10 174.88 3dxj s GLU 622 N 1.59 4.47 -0.42 2.72 2.12 -1.26 -1.57 118.70 126.34 3dxj s GLU 622 Ca 0.03 1.00 -0.08 0.00 0.36 0.00 0.00 54.97 56.28 3dxj s GLU 622 Cb -0.19 -3.43 0.09 0.00 0.26 0.00 0.00 34.13 30.86 3dxj s GLU 622 CO 0.08 0.09 0.26 0.71 -0.54 0.00 0.00 175.26 175.86 3dxj s TYR 623 N 0.66 3.38 0.06 5.30 4.12 0.97 -4.93 117.35 126.91 3dxj s TYR 623 Ca 0.40 -1.69 -0.32 0.00 0.02 0.00 0.00 57.07 55.48 3dxj s TYR 623 Cb -0.19 -3.06 -0.11 0.00 -1.52 0.00 0.00 41.96 37.08 3dxj s TYR 623 CO 0.21 -0.89 1.85 -2.30 0.02 0.00 0.00 175.55 174.43 3dxj n PRO 624 N 4.88 2.59 -3.32 -1.71 -0.02 -1.26 -2.69 135.00 133.47 3dxj n PRO 624 Ca -0.09 0.95 -0.43 0.00 -2.02 0.00 0.00 63.50 61.91 3dxj n PRO 624 Cb 0.42 -2.83 -0.09 0.00 -0.02 0.00 0.00 33.50 30.99 3dxj n PRO 624 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3dxj s LEU 625 N 3.17 4.87 -0.24 2.45 2.96 -1.17 -4.98 118.68 125.73 3dxj s LEU 625 Ca 0.85 -0.68 -0.33 0.00 -0.22 0.00 0.00 54.13 53.75 3dxj s LEU 625 Cb -0.54 -2.39 -0.10 0.00 0.50 0.00 0.00 46.19 43.66 3dxj s LEU 625 CO 0.42 -0.59 2.11 -1.14 -1.32 0.00 0.00 176.35 175.83 3dxj n ARG 626 N 5.61 1.61 0.00 1.98 0.63 -1.26 -4.83 116.66 120.40 3dxj n ARG 626 Ca -0.07 0.49 0.00 0.00 -0.92 0.00 0.00 57.85 57.35 3dxj n ARG 626 Cb 0.47 -2.72 0.00 0.00 0.45 0.00 0.00 32.46 30.67 3dxj n ARG 626 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 3dxj n ARG 627 N 7.89 1.41 -1.63 -0.14 1.85 -1.26 -3.58 116.66 121.19 3dxj n ARG 627 Ca 0.33 0.00 -0.58 0.00 -1.00 0.00 0.00 57.85 56.60 3dxj n ARG 627 Cb 0.30 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 31.64 3dxj n ARG 627 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 3dxj n PHE 628 N 0.00 1.87 -3.85 2.89 3.01 -1.26 -4.50 117.46 115.62 3dxj n PHE 628 Ca 0.00 0.58 -0.12 0.00 1.01 0.00 0.00 57.45 58.93 3dxj n PHE 628 Cb 0.00 -2.43 -0.11 0.00 -0.01 0.00 0.00 39.48 36.93 3dxj n PHE 628 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 3dxj s TYR 629 N 4.34 -0.03 0.67 1.38 4.12 -1.18 -4.96 117.35 121.68 3dxj s TYR 629 Ca 1.03 0.07 -0.16 0.00 0.02 0.00 0.00 57.07 58.03 3dxj s TYR 629 Cb -1.12 -0.01 0.00 0.00 -1.52 0.00 0.00 41.96 39.31 3dxj s TYR 629 CO 0.65 -0.20 1.18 0.50 0.02 0.00 0.00 175.55 177.70 3dxj s ARG 630 N -0.80 2.57 0.22 -0.62 3.52 -1.26 0.07 118.95 122.66 3dxj s ARG 630 Ca -0.09 1.70 0.06 0.00 -0.13 0.00 0.00 55.73 57.27 3dxj s ARG 630 Cb -0.05 -1.89 -0.04 0.00 -1.56 0.00 0.00 34.95 31.41 3dxj s ARG 630 CO 0.01 -1.49 0.22 0.45 -0.81 0.00 0.00 175.30 173.68 3dxj s SER 631 N -2.01 5.70 0.22 -2.12 0.15 0.20 -4.71 113.70 111.13 3dxj s SER 631 Ca 0.74 -0.15 -0.09 0.00 0.70 0.00 0.00 55.95 57.15 3dxj s SER 631 Cb -0.27 -1.52 0.33 0.00 -1.71 0.00 0.00 66.02 62.85 3dxj s SER 631 CO 0.40 -0.01 1.68 -1.13 1.20 0.00 0.00 173.24 175.38 3dxj h ASN 632 N 1.68 -0.13 -0.13 5.45 -1.24 -1.84 2.97 115.58 122.34 3dxj h ASN 632 Ca -0.49 0.14 0.00 0.00 0.71 0.00 0.00 56.30 56.66 3dxj h ASN 632 Cb 1.23 0.22 0.00 0.00 0.73 0.00 0.00 38.32 40.50 3dxj h ASN 632 CO 0.62 -0.06 0.00 0.00 -1.29 0.00 0.00 177.43 176.69 3dxj n GLN 633 N -5.21 1.56 0.00 6.67 3.00 -1.26 -4.87 117.38 117.27 3dxj n GLN 633 Ca 0.10 -0.57 0.00 0.00 -0.01 0.00 0.00 57.00 56.52 3dxj n GLN 633 Cb 0.37 -1.39 0.00 0.00 0.00 0.00 0.00 30.24 29.22 3dxj n GLN 633 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3dxj n GLY 634 N 0.42 2.77 3.42 1.08 0.00 0.99 -4.99 105.19 108.89 3dxj n GLY 634 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 3dxj n GLY 634 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3dxj n THR 635 N -1.98 0.00 -2.91 2.61 -2.24 -1.26 -2.19 114.28 106.31 3dxj n THR 635 Ca 0.00 -0.20 -0.38 0.00 -2.27 0.00 0.00 64.05 61.20 3dxj n THR 635 Cb 0.00 -0.67 -0.06 0.00 -2.10 0.00 0.00 70.33 67.49 3dxj n THR 635 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dxj s ALA 636 N -2.39 3.33 -0.36 6.98 0.00 -1.22 0.59 121.76 128.69 3dxj s ALA 636 Ca 0.58 0.40 0.00 0.00 0.00 0.00 0.00 51.96 52.95 3dxj s ALA 636 Cb -0.20 -3.04 0.12 0.00 0.00 0.00 0.00 23.12 20.01 3dxj s ALA 636 CO 0.66 0.25 0.16 -0.51 0.00 0.00 0.00 175.76 176.32 3dxj s LEU 637 N -1.73 2.28 0.02 0.00 1.43 0.11 -4.88 118.68 115.91 3dxj s LEU 637 Ca 0.44 -2.08 0.01 0.00 -1.03 0.00 0.00 54.13 51.47 3dxj s LEU 637 Cb -0.20 -0.88 -0.02 0.00 0.03 0.00 0.00 46.19 45.13 3dxj s LEU 637 CO 0.24 -0.35 -0.04 1.51 0.23 0.00 0.00 176.35 177.95 3dxj s ASP 638 N 1.07 0.35 0.03 2.29 -4.77 -1.26 -3.09 116.67 111.30 3dxj s ASP 638 Ca 0.14 -0.38 0.01 0.00 -3.30 0.00 0.00 52.55 49.02 3dxj s ASP 638 Cb -0.21 0.05 -0.04 0.00 -1.09 0.00 0.00 42.92 41.64 3dxj s ASP 638 CO -0.12 -0.19 0.07 -1.10 0.70 0.00 0.00 175.17 174.53 3dxj s GLN 639 N -1.09 2.96 -0.08 2.11 -0.21 -1.24 -1.07 119.66 121.04 3dxj s GLN 639 Ca -0.10 -0.59 0.01 0.00 0.02 0.00 0.00 55.36 54.71 3dxj s GLN 639 Cb -0.07 -2.78 0.02 0.00 1.00 0.00 0.00 33.01 31.17 3dxj s GLN 639 CO -0.00 0.61 -0.10 1.03 -2.12 0.00 0.00 175.29 174.70 3dxj s ARG 640 N -1.99 1.60 0.43 2.91 0.52 0.30 -4.82 118.95 117.90 3dxj s ARG 640 Ca 0.25 -0.34 -0.26 0.00 -0.52 0.00 0.00 55.73 54.86 3dxj s ARG 640 Cb -0.12 -1.45 -0.09 0.00 0.52 0.00 0.00 34.95 33.81 3dxj s ARG 640 CO 0.17 -0.08 1.45 -2.14 0.02 0.00 0.00 175.30 174.72 3dxj s PRO 641 N 1.05 3.80 0.00 3.54 0.02 -1.26 0.18 135.00 142.33 3dxj s PRO 641 Ca -0.07 2.48 0.00 0.00 0.02 0.00 0.00 61.00 63.43 3dxj s PRO 641 Cb -0.15 -2.75 0.00 0.00 0.02 0.00 0.00 34.50 31.63 3dxj s PRO 641 CO -0.01 -0.75 0.20 0.54 -0.33 0.00 0.00 177.00 176.65 3dxj n ARG 642 N -0.01 1.16 -4.15 5.54 5.12 0.11 -4.81 116.66 119.62 3dxj n ARG 642 Ca 0.04 -0.20 -0.22 0.00 -1.93 0.00 0.00 57.85 55.54 3dxj n ARG 642 Cb 0.41 -0.63 -0.05 0.00 -1.16 0.00 0.00 32.46 31.03 3dxj n ARG 642 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3dxj s VAL 643 N -0.22 4.16 0.20 1.55 0.11 -1.24 -5.08 120.40 119.88 3dxj s VAL 643 Ca 0.00 -1.53 0.05 0.00 -2.93 0.00 0.00 61.98 57.57 3dxj s VAL 643 Cb 0.00 -3.26 -0.05 0.00 -1.53 0.00 0.00 36.38 31.54 3dxj s VAL 643 CO 0.00 -0.35 -0.08 0.68 -3.33 0.00 0.00 175.10 172.02 3dxj s VAL 644 N -2.19 1.33 0.46 2.04 -7.23 -1.26 -5.01 120.40 108.53 3dxj s VAL 644 Ca 0.33 -2.10 -0.21 0.00 -1.81 0.00 0.00 61.98 58.19 3dxj s VAL 644 Cb -0.07 -2.10 -0.12 0.00 0.56 0.00 0.00 36.38 34.65 3dxj s VAL 644 CO 0.24 -0.54 0.54 1.33 -0.31 0.00 0.00 175.10 176.35 3dxj n VAL 645 N -0.35 1.83 0.00 1.32 0.24 -1.26 -1.62 118.33 118.48 3dxj n VAL 645 Ca -0.08 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.72 3dxj n VAL 645 Cb 0.62 -0.58 0.00 0.00 -1.47 0.00 0.00 33.84 32.41 3dxj n VAL 645 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3dxj n GLY 646 N 1.78 1.52 3.69 7.63 0.00 0.11 -4.85 105.19 115.08 3dxj n GLY 646 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 3dxj n GLY 646 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3dxj s GLN 647 N 0.00 4.25 0.34 1.61 0.74 -0.64 -4.43 119.66 121.53 3dxj s GLN 647 Ca 0.00 2.11 -0.10 0.00 0.05 0.00 0.00 55.36 57.42 3dxj s GLN 647 Cb 0.00 -3.54 -0.07 0.00 1.10 0.00 0.00 33.01 30.50 3dxj s GLN 647 CO 0.00 -0.62 0.68 -0.98 -0.55 0.00 0.00 175.29 173.82 3dxj s ARG 648 N 2.33 3.79 -0.19 1.67 1.70 -1.26 0.14 118.95 127.14 3dxj s ARG 648 Ca 0.68 0.38 -0.21 0.00 -0.47 0.00 0.00 55.73 56.11 3dxj s ARG 648 Cb -0.35 -2.49 0.06 0.00 -0.57 0.00 0.00 34.95 31.59 3dxj s ARG 648 CO 0.29 0.11 0.57 0.08 -1.08 0.00 0.00 175.30 175.27 3dxj s VAL 649 N -2.15 0.00 0.61 4.99 1.01 0.15 -4.92 120.40 120.10 3dxj s VAL 649 Ca 0.50 -0.03 0.05 0.00 0.00 0.00 0.00 61.98 62.49 3dxj s VAL 649 Cb -0.10 -0.81 0.09 0.00 0.00 0.00 0.00 36.38 35.56 3dxj s VAL 649 CO 0.27 -0.02 0.84 0.00 0.00 0.00 0.00 175.10 176.19 3dxj s ARG 650 N 0.06 2.15 0.78 2.72 3.03 -1.26 -0.08 118.95 126.35 3dxj s ARG 650 Ca -0.02 -1.31 -0.15 0.00 2.03 0.00 0.00 55.73 56.29 3dxj s ARG 650 Cb -0.04 -2.52 0.02 0.00 -1.03 0.00 0.00 34.95 31.38 3dxj s ARG 650 CO 0.02 -1.00 0.82 1.17 -1.13 0.00 0.00 175.30 175.17 3dxj n LYS 651 N -2.43 0.24 -0.63 3.89 4.81 -1.18 -2.32 118.16 120.53 3dxj n LYS 651 Ca 0.14 0.14 0.00 0.00 -0.87 0.00 0.00 58.31 57.71 3dxj n LYS 651 Cb 0.61 -2.11 0.00 0.00 0.02 0.00 0.00 35.03 33.55 3dxj n LYS 651 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3dxj n GLY 652 N 1.17 1.04 3.73 3.14 0.00 0.45 -4.87 105.19 109.85 3dxj n GLY 652 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 3dxj n GLY 652 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dxj s ASP 653 N -2.86 7.43 0.93 1.61 1.01 -0.98 -4.54 116.67 119.26 3dxj s ASP 653 Ca 0.00 1.91 -0.12 0.00 0.71 0.00 0.00 52.55 55.05 3dxj s ASP 653 Cb 0.00 -2.59 0.15 0.00 1.01 0.00 0.00 42.92 41.48 3dxj s ASP 653 CO 0.00 -0.11 1.09 -0.22 0.21 0.00 0.00 175.17 176.14 3dxj s LEU 654 N -0.19 2.15 0.00 1.23 2.96 -1.26 0.31 118.68 123.88 3dxj s LEU 654 Ca 0.47 1.54 0.00 0.00 -0.22 0.00 0.00 54.13 55.92 3dxj s LEU 654 Cb -0.26 -3.90 0.00 0.00 0.50 0.00 0.00 46.19 42.54 3dxj s LEU 654 CO 0.32 -2.84 0.00 0.18 -1.32 0.00 0.00 176.35 172.69 3dxj n LEU 655 N -4.02 0.00 -3.76 -0.68 4.77 0.58 -4.69 117.00 109.20 3dxj n LEU 655 Ca 0.07 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.83 3dxj n LEU 655 Cb 0.55 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.47 3dxj n LEU 655 CO 0.55 -0.47 -0.37 0.00 -1.33 0.00 0.00 177.39 175.77 3dxj s ALA 656 N -1.95 0.55 0.01 -1.18 0.00 -1.22 0.04 121.76 118.02 3dxj s ALA 656 Ca 0.00 -0.02 -0.30 0.00 0.00 0.00 0.00 51.96 51.64 3dxj s ALA 656 Cb 0.00 -0.66 -0.07 0.00 0.00 0.00 0.00 23.12 22.38 3dxj s ALA 656 CO 0.00 -0.41 1.70 -0.51 0.00 0.00 0.00 175.76 176.54 3dxj s ASP 657 N 1.89 6.61 0.52 0.00 1.01 0.48 -1.46 116.67 125.71 3dxj s ASP 657 Ca 0.03 2.41 0.00 0.00 0.71 0.00 0.00 52.55 55.70 3dxj s ASP 657 Cb -0.12 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.26 3dxj s ASP 657 CO -0.04 -0.93 0.00 0.61 0.21 0.00 0.00 175.17 175.02 3dxj n GLY 658 N 4.13 -2.92 0.27 0.21 0.00 -1.19 0.11 105.19 105.81 3dxj n GLY 658 Ca 0.17 -0.97 -0.10 0.00 0.00 0.00 0.00 46.02 45.12 3dxj n GLY 658 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3dxj h PRO 659 N 0.00 -0.54 -1.35 1.61 0.11 -1.32 -3.25 132.00 127.25 3dxj h PRO 659 Ca 0.00 0.04 -0.68 0.00 0.11 0.00 0.00 66.00 65.47 3dxj h PRO 659 Cb 0.00 0.12 -0.32 0.00 0.11 0.00 0.00 31.00 30.91 3dxj h PRO 659 CO 0.00 -0.36 0.45 0.00 -0.21 0.00 0.00 178.00 177.88 3dxj n ALA 660 N -2.53 6.02 -2.96 -0.75 0.00 -1.26 -4.85 120.51 114.18 3dxj n ALA 660 Ca -0.07 -3.85 -0.32 0.00 0.00 0.00 0.00 53.44 49.20 3dxj n ALA 660 Cb 0.25 -1.45 -0.16 0.00 0.00 0.00 0.00 19.45 18.09 3dxj n ALA 660 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3dxj s SER 661 N -2.10 3.32 -0.15 0.00 1.04 -1.23 -0.30 113.70 114.28 3dxj s SER 661 Ca 0.56 -0.47 0.01 0.00 0.48 0.00 0.00 55.95 56.53 3dxj s SER 661 Cb 0.46 -1.19 0.02 0.00 0.10 0.00 0.00 66.02 65.40 3dxj s SER 661 CO -0.16 0.21 -0.16 -0.70 0.98 0.00 0.00 173.24 173.41 3dxj s GLU 662 N 0.07 2.47 -0.12 4.02 2.12 0.16 -4.46 118.70 122.97 3dxj s GLU 662 Ca -0.10 -0.63 0.00 0.00 0.36 0.00 0.00 54.97 54.61 3dxj s GLU 662 Cb -0.15 -2.21 0.00 0.00 0.26 0.00 0.00 34.13 32.03 3dxj s GLU 662 CO 0.06 -0.21 0.00 0.09 -0.54 0.00 0.00 175.26 174.66 3dxj n ASN 663 N 4.68 -5.96 0.00 -1.70 3.02 -1.26 0.82 115.26 114.85 3dxj n ASN 663 Ca -0.18 0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.40 3dxj n ASN 663 Cb 0.50 -3.57 0.00 0.00 -0.61 0.00 0.00 39.78 36.10 3dxj n ASN 663 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dxj n GLY 664 N 0.92 0.73 3.71 7.41 0.00 -1.26 -5.07 105.19 111.64 3dxj n GLY 664 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 3dxj n GLY 664 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3dxj s PHE 665 N -2.18 3.16 0.18 1.61 0.40 0.24 -4.58 117.98 116.81 3dxj s PHE 665 Ca 0.00 0.16 -0.33 0.00 -0.60 0.00 0.00 56.93 56.16 3dxj s PHE 665 Cb 0.00 -1.73 -0.13 0.00 0.51 0.00 0.00 43.02 41.67 3dxj s PHE 665 CO 0.00 0.49 1.62 -0.11 0.70 0.00 0.00 175.22 177.93 3dxj n LEU 666 N 1.60 3.44 -3.35 -0.37 7.94 -1.21 0.40 117.00 125.45 3dxj n LEU 666 Ca -0.16 1.08 -0.26 0.00 -1.11 0.00 0.00 56.01 55.56 3dxj n LEU 666 Cb 0.53 -1.48 -0.08 0.00 0.53 0.00 0.00 43.42 42.92 3dxj n LEU 666 CO 0.33 -0.12 -0.09 0.00 -1.11 0.00 0.00 177.39 176.40 3dxj n ALA 667 N 3.54 3.35 1.24 1.96 0.00 0.59 -4.00 120.51 127.19 3dxj n ALA 667 Ca 0.16 -4.16 0.00 0.00 0.00 0.00 0.00 53.44 49.44 3dxj n ALA 667 Cb 0.31 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 18.90 3dxj n ALA 667 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3dxj n LEU 668 N 1.18 0.00 0.00 0.00 4.77 -1.24 -3.92 117.00 117.80 3dxj n LEU 668 Ca 0.26 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 3dxj n LEU 668 Cb 0.46 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 3dxj n LEU 668 CO 0.30 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 3dxj n GLY 669 N 0.12 1.06 3.08 -0.72 0.00 -1.21 -4.53 105.19 102.99 3dxj n GLY 669 Ca 0.00 0.05 -0.12 0.00 0.00 0.00 0.00 46.02 45.96 3dxj n GLY 669 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dxj s GLN 670 N 4.78 0.38 0.03 1.61 -0.21 0.23 -1.43 119.66 125.05 3dxj s GLN 670 Ca 0.00 -0.19 -0.16 0.00 0.02 0.00 0.00 55.36 55.03 3dxj s GLN 670 Cb 0.00 0.16 -0.06 0.00 1.00 0.00 0.00 33.01 34.11 3dxj s GLN 670 CO 0.00 -0.08 0.46 -0.80 -2.12 0.00 0.00 175.29 172.75 3dxj s ASN 671 N -0.88 6.88 0.13 5.90 0.01 -1.26 -0.10 114.94 125.62 3dxj s ASN 671 Ca -0.10 1.05 -0.24 0.00 -0.71 0.00 0.00 52.86 52.86 3dxj s ASN 671 Cb -0.05 -2.28 0.07 0.00 0.41 0.00 0.00 41.25 39.40 3dxj s ASN 671 CO 0.01 0.30 0.68 0.54 -1.51 0.00 0.00 177.10 177.12 3dxj s VAL 672 N -1.11 0.00 -0.62 1.60 0.11 -0.42 -4.91 120.40 115.06 3dxj s VAL 672 Ca 0.26 -0.06 -0.27 0.00 -2.93 0.00 0.00 61.98 58.98 3dxj s VAL 672 Cb -0.17 -1.07 -0.02 0.00 -1.53 0.00 0.00 36.38 33.59 3dxj s VAL 672 CO 0.15 0.00 1.84 -0.76 -3.33 0.00 0.00 175.10 173.00 3dxj s LEU 673 N -2.70 3.28 0.14 2.54 1.43 -1.26 -1.53 118.68 120.58 3dxj s LEU 673 Ca 0.03 0.31 0.05 0.00 -1.03 0.00 0.00 54.13 53.48 3dxj s LEU 673 Cb -0.01 -2.53 -0.04 0.00 0.03 0.00 0.00 46.19 43.64 3dxj s LEU 673 CO -0.11 -2.36 0.10 0.54 0.23 0.00 0.00 176.35 174.75 3dxj s VAL 674 N 8.97 4.40 -0.05 -1.59 0.11 -0.58 0.17 120.40 131.83 3dxj s VAL 674 Ca 0.66 -1.03 -0.02 0.00 -2.93 0.00 0.00 61.98 58.66 3dxj s VAL 674 Cb -0.12 -3.21 0.03 0.00 -1.53 0.00 0.00 36.38 31.55 3dxj s VAL 674 CO 0.20 -0.04 0.07 0.00 -3.33 0.00 0.00 175.10 172.00 3dxj s ALA 675 N -1.64 0.22 -0.28 1.54 0.00 -0.04 -1.83 121.76 119.73 3dxj s ALA 675 Ca 0.30 0.18 -0.27 0.00 0.00 0.00 0.00 51.96 52.18 3dxj s ALA 675 Cb -0.11 -0.66 0.01 0.00 0.00 0.00 0.00 23.12 22.36 3dxj s ALA 675 CO 0.22 -0.54 0.94 -1.50 0.00 0.00 0.00 175.76 174.89 3dxj s ILE 676 N 2.18 4.69 0.00 0.00 2.07 -1.01 -0.92 121.20 128.21 3dxj s ILE 676 Ca 0.05 1.63 0.00 0.00 -1.41 0.00 0.00 60.65 60.92 3dxj s ILE 676 Cb -0.12 -4.26 0.00 0.00 0.13 0.00 0.00 42.46 38.21 3dxj s ILE 676 CO -0.04 -0.26 0.00 1.15 -1.91 0.00 0.00 174.94 173.88 3dxj n MET 677 N 6.38 0.00 -2.36 3.50 0.00 0.40 -4.49 117.12 120.55 3dxj n MET 677 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 57.70 57.37 3dxj n MET 677 Cb 0.47 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.66 3dxj n MET 677 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 3dxj s PRO 678 N -2.00 4.49 -0.32 3.17 0.04 -1.26 -3.74 135.00 135.37 3dxj s PRO 678 Ca 0.00 1.89 -0.00 0.00 0.04 0.00 0.00 61.00 62.93 3dxj s PRO 678 Cb 0.00 -3.23 0.10 0.00 0.04 0.00 0.00 34.50 31.41 3dxj s PRO 678 CO 0.00 -0.08 0.11 0.12 0.04 0.00 0.00 177.00 177.18 3dxj s PHE 679 N -0.14 1.82 -1.06 0.56 5.36 -1.26 -4.89 117.98 118.37 3dxj s PHE 679 Ca 0.52 -1.86 -0.01 0.00 -0.96 0.00 0.00 56.93 54.63 3dxj s PHE 679 Cb -0.33 -1.78 0.01 0.00 -0.34 0.00 0.00 43.02 40.58 3dxj s PHE 679 CO 0.37 -0.87 0.03 -0.25 -1.46 0.00 0.00 175.22 173.04 3dxj n ASP 680 N 4.70 0.52 -0.45 6.13 9.92 -1.26 -0.10 116.55 136.01 3dxj n ASP 680 Ca -0.01 -0.86 -0.04 0.00 -0.53 0.00 0.00 54.79 53.35 3dxj n ASP 680 Cb 0.41 -1.07 -0.02 0.00 -0.64 0.00 0.00 41.12 39.81 3dxj n ASP 680 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3dxj n GLY 681 N -1.99 0.40 0.00 0.44 0.00 -1.26 -4.74 105.19 98.04 3dxj n GLY 681 Ca -0.20 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.94 3dxj n GLY 681 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3dxj n TYR 682 N -1.42 0.00 -1.08 1.61 4.01 0.85 -1.35 117.16 119.78 3dxj n TYR 682 Ca -0.04 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.79 3dxj n TYR 682 Cb 0.34 -0.46 0.16 0.00 -0.31 0.00 0.00 39.34 39.07 3dxj n TYR 682 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 3dxj n ASN 683 N -1.46 2.53 0.00 7.72 2.04 -1.26 -4.18 115.26 120.66 3dxj n ASN 683 Ca 0.07 -3.11 0.00 0.00 -0.44 0.00 0.00 54.58 51.10 3dxj n ASN 683 Cb 0.27 -0.45 0.00 0.00 -2.53 0.00 0.00 39.78 37.07 3dxj n ASN 683 CO 0.00 0.00 0.00 0.33 -0.44 0.00 0.00 177.26 177.15 3dxj n PHE 684 N -1.30 0.00 -3.77 -2.53 7.35 -0.46 -3.58 117.46 113.16 3dxj n PHE 684 Ca 0.17 0.00 -0.29 0.00 -0.76 0.00 0.00 57.45 56.57 3dxj n PHE 684 Cb 0.68 -0.15 -0.13 0.00 0.35 0.00 0.00 39.48 40.24 3dxj n PHE 684 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 3dxj s GLU 685 N -2.37 1.65 0.00 -4.13 2.56 -1.26 -4.72 118.70 110.43 3dxj s GLU 685 Ca 0.00 -2.44 0.00 0.00 0.00 0.00 0.00 54.97 52.53 3dxj s GLU 685 Cb 0.00 -2.68 0.00 0.00 2.00 0.00 0.00 34.13 33.45 3dxj s GLU 685 CO 0.00 -1.20 0.00 -0.25 -0.56 0.00 0.00 175.26 173.25 3dxj n ASP 686 N 3.04 0.00 -4.77 -1.70 8.00 -1.25 -4.94 116.55 114.92 3dxj n ASP 686 Ca 0.12 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.22 3dxj n ASP 686 Cb 0.35 -0.09 0.01 0.00 -0.02 0.00 0.00 41.12 41.37 3dxj n ASP 686 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dxj s ALA 687 N -2.63 3.43 -0.05 2.24 0.00 -1.24 -3.12 121.76 120.40 3dxj s ALA 687 Ca 0.00 1.52 0.02 0.00 0.00 0.00 0.00 51.96 53.51 3dxj s ALA 687 Cb 0.00 -3.60 0.01 0.00 0.00 0.00 0.00 23.12 19.53 3dxj s ALA 687 CO 0.00 -1.11 -0.10 0.42 0.00 0.00 0.00 175.76 174.97 3dxj s ILE 688 N -1.16 0.95 0.24 0.00 1.01 0.31 -4.19 121.20 118.36 3dxj s ILE 688 Ca 0.56 -0.38 -0.02 0.00 0.00 0.00 0.00 60.65 60.80 3dxj s ILE 688 Cb -0.45 -0.88 -0.05 0.00 0.01 0.00 0.00 42.46 41.09 3dxj s ILE 688 CO 0.60 0.31 0.46 0.68 0.00 0.00 0.00 174.94 176.99 3dxj s VAL 689 N 0.63 5.13 -0.01 2.92 -7.23 -1.25 0.11 120.40 120.70 3dxj s VAL 689 Ca -0.12 -0.21 0.01 0.00 -1.81 0.00 0.00 61.98 59.85 3dxj s VAL 689 Cb -0.14 -3.74 0.01 0.00 0.56 0.00 0.00 36.38 33.06 3dxj s VAL 689 CO 0.02 -0.25 -0.02 -0.63 -0.31 0.00 0.00 175.10 173.91 3dxj s ILE 690 N -1.98 0.19 -0.15 -0.62 -1.09 -0.38 -2.98 121.20 114.20 3dxj s ILE 690 Ca 0.41 -0.05 -0.29 0.00 -2.23 0.00 0.00 60.65 58.48 3dxj s ILE 690 Cb -0.11 -0.20 -0.05 0.00 -1.58 0.00 0.00 42.46 40.52 3dxj s ILE 690 CO 0.30 0.08 1.78 -0.55 -1.23 0.00 0.00 174.94 175.32 3dxj s SER 691 N 0.26 6.30 0.61 3.58 0.15 0.55 -1.04 113.70 124.11 3dxj s SER 691 Ca -0.02 1.96 0.28 0.00 0.70 0.00 0.00 55.95 58.86 3dxj s SER 691 Cb -0.05 -2.53 1.40 0.00 -1.71 0.00 0.00 66.02 63.14 3dxj s SER 691 CO -0.01 -1.27 1.81 -0.08 1.20 0.00 0.00 173.24 174.90 3dxj h GLU 692 N 11.15 0.00 -0.39 5.44 4.81 -1.20 -1.91 114.58 132.47 3dxj h GLU 692 Ca -0.39 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 58.92 3dxj h GLU 692 Cb 1.19 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 30.48 3dxj h GLU 692 CO 0.98 0.00 -0.30 1.49 -0.73 0.00 0.00 179.01 180.44 3dxj h GLU 693 N 0.00 -0.23 -0.98 1.92 4.57 -1.88 -2.29 114.58 115.70 3dxj h GLU 693 Ca 0.21 0.02 0.18 0.00 -1.18 0.00 0.00 59.36 58.58 3dxj h GLU 693 Cb 1.31 0.05 -0.18 0.00 -0.16 0.00 0.00 28.75 29.78 3dxj h GLU 693 CO -0.00 -0.15 -0.30 -0.07 -1.18 0.00 0.00 179.01 177.31 3dxj h LEU 694 N -0.24 -1.10 0.24 1.64 3.38 -1.70 0.14 115.31 117.66 3dxj h LEU 694 Ca 0.17 0.30 0.01 0.00 0.09 0.00 0.00 57.88 58.45 3dxj h LEU 694 Cb 0.52 0.66 -0.03 0.00 0.09 0.00 0.00 40.66 41.90 3dxj h LEU 694 CO -0.52 -0.31 -0.38 -0.07 0.09 0.00 0.00 178.44 177.25 3dxj h LEU 695 N -0.00 -1.09 -0.98 1.67 3.38 -1.60 0.65 115.31 117.34 3dxj h LEU 695 Ca 0.42 0.11 0.33 0.00 0.09 0.00 0.00 57.88 58.83 3dxj h LEU 695 Cb 0.67 0.39 -0.16 0.00 0.09 0.00 0.00 40.66 41.65 3dxj h LEU 695 CO -1.00 -0.49 0.47 0.11 0.09 0.00 0.00 178.44 177.62 3dxj h LYS 696 N -0.70 0.19 -0.14 1.13 1.57 -0.70 4.29 116.57 122.22 3dxj h LYS 696 Ca -0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3dxj h LYS 696 Cb 0.67 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.94 3dxj h LYS 696 CO -0.15 0.12 0.00 0.54 -0.57 0.00 0.00 179.45 179.39 3dxj n ARG 697 N -5.17 0.96 -4.44 3.15 1.74 0.16 -4.83 116.66 108.23 3dxj n ARG 697 Ca 0.31 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.98 3dxj n ARG 697 Cb 1.00 -1.07 -0.08 0.00 -1.02 0.00 0.00 32.46 31.30 3dxj n ARG 697 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3dxj n ASP 698 N -0.42 -1.78 0.00 0.55 9.92 1.41 -4.84 116.55 121.39 3dxj n ASP 698 Ca 0.00 -1.16 0.00 0.00 -0.53 0.00 0.00 54.79 53.10 3dxj n ASP 698 Cb 0.04 -1.56 0.00 0.00 -0.64 0.00 0.00 41.12 38.95 3dxj n ASP 698 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 3dxj n PHE 699 N -3.97 0.00 -2.69 1.24 3.01 -0.87 -4.15 117.46 110.03 3dxj n PHE 699 Ca 0.11 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.15 3dxj n PHE 699 Cb 0.45 -0.20 -0.02 0.00 -0.01 0.00 0.00 39.48 39.69 3dxj n PHE 699 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 3dxj s TYR 700 N -1.38 2.79 -0.09 1.38 1.51 -1.26 -4.32 117.35 115.98 3dxj s TYR 700 Ca 0.00 -1.18 -0.04 0.00 -1.01 0.00 0.00 57.07 54.84 3dxj s TYR 700 Cb 0.00 -4.56 0.05 0.00 -0.11 0.00 0.00 41.96 37.34 3dxj s TYR 700 CO 0.00 -1.76 0.19 0.99 -1.11 0.00 0.00 175.55 173.86 3dxj s THR 701 N 4.01 -0.22 0.47 -0.71 2.01 -1.26 -0.70 115.64 119.25 3dxj s THR 701 Ca 0.43 0.27 0.03 0.00 0.31 0.00 0.00 61.69 62.74 3dxj s THR 701 Cb -0.01 -0.33 -0.04 0.00 0.01 0.00 0.00 72.50 72.14 3dxj s THR 701 CO -0.07 0.11 0.01 -0.94 -0.69 0.00 0.00 174.62 173.04 3dxj s SER 702 N 1.92 4.04 -0.31 3.53 1.04 0.19 -2.13 113.70 121.98 3dxj s SER 702 Ca -0.02 -1.54 -0.01 0.00 0.48 0.00 0.00 55.95 54.86 3dxj s SER 702 Cb -0.12 0.16 0.10 0.00 0.10 0.00 0.00 66.02 66.26 3dxj s SER 702 CO -0.07 -0.70 0.10 -0.63 0.98 0.00 0.00 173.24 172.92 3dxj s ILE 703 N -2.81 0.92 0.06 -1.02 1.01 -1.26 0.08 121.20 118.18 3dxj s ILE 703 Ca 0.17 -1.42 -0.15 0.00 0.00 0.00 0.00 60.65 59.25 3dxj s ILE 703 Cb 0.05 -1.70 -0.06 0.00 0.01 0.00 0.00 42.46 40.76 3dxj s ILE 703 CO 0.09 -0.67 0.48 -2.28 0.00 0.00 0.00 174.94 172.56 3dxj s HIS 704 N 1.59 3.70 -0.18 3.97 2.46 -0.66 -3.42 115.29 122.75 3dxj s HIS 704 Ca 0.10 1.05 -0.03 0.00 0.47 0.00 0.00 55.06 56.65 3dxj s HIS 704 Cb -0.17 -2.34 -0.02 0.00 -0.13 0.00 0.00 32.58 29.92 3dxj s HIS 704 CO -0.25 0.56 -0.05 0.42 -2.47 0.00 0.00 174.74 172.95 3dxj s ILE 705 N -1.22 3.50 -0.08 0.89 1.09 -0.93 -2.04 121.20 122.41 3dxj s ILE 705 Ca 0.30 -0.47 0.04 0.00 -1.10 0.00 0.00 60.65 59.42 3dxj s ILE 705 Cb -0.17 -2.55 -0.01 0.00 -1.06 0.00 0.00 42.46 38.67 3dxj s ILE 705 CO 0.17 0.46 -0.22 -0.70 -0.10 0.00 0.00 174.94 174.54 3dxj s GLU 706 N 0.93 2.82 -0.06 2.79 2.56 0.19 -4.64 118.70 123.29 3dxj s GLU 706 Ca -0.01 -0.85 0.01 0.00 0.00 0.00 0.00 54.97 54.12 3dxj s GLU 706 Cb -0.15 -2.28 -0.03 0.00 2.00 0.00 0.00 34.13 33.67 3dxj s GLU 706 CO 0.01 0.31 -0.08 0.50 -0.56 0.00 0.00 175.26 175.44 3dxj s ARG 707 N 0.03 2.70 0.19 4.30 3.52 -1.26 0.46 118.95 128.89 3dxj s ARG 707 Ca -0.09 -0.58 0.09 0.00 -0.13 0.00 0.00 55.73 55.03 3dxj s ARG 707 Cb -0.15 -2.55 -0.04 0.00 -1.56 0.00 0.00 34.95 30.64 3dxj s ARG 707 CO 0.05 0.66 -0.18 0.71 -0.81 0.00 0.00 175.30 175.73 3dxj s TYR 708 N -0.80 1.89 0.10 5.12 1.51 0.10 -4.97 117.35 120.30 3dxj s TYR 708 Ca 0.12 -0.47 -0.02 0.00 -1.01 0.00 0.00 57.07 55.70 3dxj s TYR 708 Cb -0.11 -0.91 -0.04 0.00 -0.11 0.00 0.00 41.96 40.80 3dxj s TYR 708 CO 0.01 0.40 0.04 -1.21 -1.11 0.00 0.00 175.55 173.69 3dxj s GLU 709 N -3.09 0.81 0.04 -0.62 2.02 -1.26 -1.85 118.70 114.74 3dxj s GLU 709 Ca 0.20 -1.30 -0.16 0.00 0.02 0.00 0.00 54.97 53.73 3dxj s GLU 709 Cb -0.05 0.24 0.03 0.00 0.10 0.00 0.00 34.13 34.46 3dxj s GLU 709 CO 0.08 -0.21 0.35 -1.50 0.02 0.00 0.00 175.26 174.00 3dxj s ILE 710 N -3.98 0.07 0.05 -1.63 1.10 -1.02 -4.98 121.20 110.81 3dxj s ILE 710 Ca 0.15 -0.57 0.08 0.00 -0.51 0.00 0.00 60.65 59.81 3dxj s ILE 710 Cb 0.07 -0.93 -0.03 0.00 0.15 0.00 0.00 42.46 41.73 3dxj s ILE 710 CO -0.04 -0.31 -0.22 -1.61 -2.11 0.00 0.00 174.94 170.64 3dxj s GLU 711 N -2.45 1.50 -0.47 3.50 2.02 -1.26 -2.33 118.70 119.20 3dxj s GLU 711 Ca -0.06 -1.00 -0.12 0.00 0.02 0.00 0.00 54.97 53.81 3dxj s GLU 711 Cb -0.01 -1.64 0.10 0.00 0.10 0.00 0.00 34.13 32.68 3dxj s GLU 711 CO -0.02 0.42 0.36 0.00 0.02 0.00 0.00 175.26 176.04 3dxj s ALA 712 N -0.81 3.46 -0.18 5.21 0.00 0.88 -4.99 121.76 125.33 3dxj s ALA 712 Ca 0.09 -2.30 -0.07 0.00 0.00 0.00 0.00 51.96 49.68 3dxj s ALA 712 Cb -0.09 -2.93 -0.04 0.00 0.00 0.00 0.00 23.12 20.05 3dxj s ALA 712 CO 0.02 -1.80 0.07 1.03 0.00 0.00 0.00 175.76 175.08 3dxj s ARG 713 N 1.51 3.93 -0.66 0.00 0.52 -1.25 0.46 118.95 123.46 3dxj s ARG 713 Ca 0.04 -0.33 -0.07 0.00 -0.52 0.00 0.00 55.73 54.85 3dxj s ARG 713 Cb -0.25 -3.21 -0.19 0.00 0.52 0.00 0.00 34.95 31.82 3dxj s ARG 713 CO 0.03 0.32 3.25 -0.25 0.02 0.00 0.00 175.30 178.67 3dxj n ASP 714 N 3.39 6.47 -2.56 0.23 10.43 -0.10 -2.67 116.55 131.75 3dxj n ASP 714 Ca -0.17 -2.49 -0.23 0.00 2.57 0.00 0.00 54.79 54.47 3dxj n ASP 714 Cb 0.52 -1.43 0.01 0.00 1.84 0.00 0.00 41.12 42.06 3dxj n ASP 714 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 177.20 176.54 3dxj n THR 715 N 2.99 0.00 0.01 -3.53 -1.04 -1.25 -4.47 114.28 106.99 3dxj n THR 715 Ca 0.56 -0.30 -0.08 0.00 -2.04 0.00 0.00 64.05 62.18 3dxj n THR 715 Cb 0.61 0.00 0.08 0.00 -1.82 0.00 0.00 70.33 69.20 3dxj n THR 715 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 3dxj h LYS 716 N -0.11 0.52 -0.78 -2.82 3.64 -2.00 -1.45 116.57 113.56 3dxj h LYS 716 Ca -0.25 -0.31 0.00 0.00 -1.27 0.00 0.00 60.65 58.82 3dxj h LYS 716 Cb 0.87 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.71 3dxj h LYS 716 CO 0.23 0.90 0.00 1.28 -2.27 0.00 0.00 179.45 179.60 3dxj n LEU 717 N -3.97 0.78 0.00 5.20 4.77 -1.26 -4.89 117.00 117.62 3dxj n LEU 717 Ca -0.03 -0.39 0.00 0.00 -0.03 0.00 0.00 56.01 55.56 3dxj n LEU 717 Cb 0.58 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 3dxj n LEU 717 CO 0.46 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 3dxj n GLY 718 N 0.10 1.01 3.76 -0.72 0.00 -0.55 -4.80 105.19 103.99 3dxj n GLY 718 Ca 0.00 -1.45 -0.39 0.00 0.00 0.00 0.00 46.02 44.18 3dxj n GLY 718 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3dxj s PRO 719 N -5.11 3.36 0.32 1.61 0.02 -1.22 -3.92 135.00 130.06 3dxj s PRO 719 Ca 0.00 2.27 0.04 0.00 0.02 0.00 0.00 61.00 63.34 3dxj s PRO 719 Cb 0.00 -2.40 -0.02 0.00 0.02 0.00 0.00 34.50 32.10 3dxj s PRO 719 CO 0.00 -1.03 0.47 -1.83 -0.33 0.00 0.00 177.00 174.28 3dxj s GLU 720 N -2.74 3.25 0.17 5.54 4.04 -1.09 -4.87 118.70 123.01 3dxj s GLU 720 Ca 0.67 -0.78 0.00 0.00 0.04 0.00 0.00 54.97 54.91 3dxj s GLU 720 Cb -0.41 -2.79 -0.04 0.00 0.02 0.00 0.00 34.13 30.91 3dxj s GLU 720 CO 0.50 0.14 0.05 1.03 -1.84 0.00 0.00 175.26 175.14 3dxj s ARG 721 N -4.19 1.10 -0.69 -4.83 0.52 0.28 -4.58 118.95 106.56 3dxj s ARG 721 Ca 0.41 -1.54 -0.14 0.00 -0.52 0.00 0.00 55.73 53.94 3dxj s ARG 721 Cb -0.09 -0.03 0.18 0.00 0.52 0.00 0.00 34.95 35.53 3dxj s ARG 721 CO 0.32 -0.23 0.63 0.96 0.02 0.00 0.00 175.30 177.00 3dxj s ILE 722 N -3.87 5.34 0.09 1.52 -4.36 -1.26 -0.35 121.20 118.32 3dxj s ILE 722 Ca 0.28 -2.07 0.05 0.00 -0.26 0.00 0.00 60.65 58.65 3dxj s ILE 722 Cb 0.07 -4.36 -0.03 0.00 1.25 0.00 0.00 42.46 39.39 3dxj s ILE 722 CO 0.05 -0.95 -0.14 0.28 0.24 0.00 0.00 174.94 174.42 3dxj s THR 723 N 0.77 1.18 -0.53 8.37 -1.32 -0.35 -4.53 115.64 119.23 3dxj s THR 723 Ca 0.11 -1.47 0.25 0.00 -1.21 0.00 0.00 61.69 59.37 3dxj s THR 723 Cb -0.19 -1.25 0.32 0.00 -1.51 0.00 0.00 72.50 69.87 3dxj s THR 723 CO -0.04 -0.31 1.69 -0.09 -2.21 0.00 0.00 174.62 173.67 3dxj h ARG 724 N 3.98 0.00 -5.74 7.08 2.43 -1.84 -3.39 114.38 116.90 3dxj h ARG 724 Ca -0.40 0.00 -0.60 0.00 -0.81 0.00 0.00 59.98 58.16 3dxj h ARG 724 Cb 1.19 0.00 -0.12 0.00 -0.42 0.00 0.00 29.97 30.62 3dxj h ARG 724 CO 0.44 0.00 0.77 0.34 -1.51 0.00 0.00 179.97 180.02 3dxj s ASP 725 N -5.50 6.21 0.10 -3.80 2.15 -1.26 -4.96 116.67 109.62 3dxj s ASP 725 Ca 0.08 -0.91 0.07 0.00 0.43 0.00 0.00 52.55 52.22 3dxj s ASP 725 Cb 0.08 -2.47 -0.03 0.00 -0.30 0.00 0.00 42.92 40.20 3dxj s ASP 725 CO 0.63 -1.55 -0.17 0.27 -0.17 0.00 0.00 175.17 174.18 3dxj s ILE 726 N 4.56 1.46 -1.54 4.11 -4.36 -1.26 -4.97 121.20 119.19 3dxj s ILE 726 Ca 0.28 -1.55 0.00 0.00 -0.26 0.00 0.00 60.65 59.12 3dxj s ILE 726 Cb -0.12 -1.43 0.00 0.00 1.25 0.00 0.00 42.46 42.15 3dxj s ILE 726 CO 0.09 -0.21 0.23 -2.65 0.24 0.00 0.00 174.94 172.64 3dxj n PRO 727 N 0.94 0.00 -0.91 0.37 -0.02 -1.26 -4.75 135.00 129.37 3dxj n PRO 727 Ca -0.19 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 60.96 3dxj n PRO 727 Cb 0.55 -1.30 0.12 0.00 -0.02 0.00 0.00 33.50 32.85 3dxj n PRO 727 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 3dxj n HIS 728 N -0.69 -0.54 0.00 6.00 -0.00 -1.26 -5.00 115.22 113.73 3dxj n HIS 728 Ca 0.00 0.31 0.00 0.00 0.46 0.00 0.00 57.72 58.49 3dxj n HIS 728 Cb 0.00 -1.89 0.00 0.00 -0.12 0.00 0.00 29.99 27.98 3dxj n HIS 728 CO 0.00 0.00 0.00 -0.11 0.46 0.00 0.00 176.34 176.69 3dxj n LEU 729 N -1.89 1.64 0.00 0.27 7.94 -1.26 -5.01 117.00 118.69 3dxj n LEU 729 Ca 0.09 0.17 -0.21 0.00 -1.11 0.00 0.00 56.01 54.95 3dxj n LEU 729 Cb 0.52 -0.19 0.21 0.00 0.53 0.00 0.00 43.42 44.49 3dxj n LEU 729 CO 0.50 -0.19 0.24 -0.24 -1.11 0.00 0.00 177.39 176.59 3dxj n SER 730 N -1.17 -3.51 0.00 1.96 2.88 -1.26 -5.03 113.62 107.49 3dxj n SER 730 Ca 0.00 -0.62 0.00 0.00 -1.33 0.00 0.00 58.87 56.92 3dxj n SER 730 Cb 0.00 -0.74 0.00 0.00 -0.75 0.00 0.00 64.21 62.72 3dxj n SER 730 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 3dxj n GLU 731 N -4.25 0.00 0.12 -1.46 4.07 -1.26 -4.69 120.64 113.16 3dxj n GLU 731 Ca 0.10 0.00 0.05 0.00 -0.06 0.00 0.00 57.16 57.25 3dxj n GLU 731 Cb 0.42 -0.62 0.27 0.00 -0.06 0.00 0.00 31.44 31.46 3dxj n GLU 731 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3dxj n ALA 732 N -1.94 0.67 0.41 4.31 0.00 -1.26 0.26 120.51 122.96 3dxj n ALA 732 Ca 0.00 0.09 0.06 0.00 0.00 0.00 0.00 53.44 53.60 3dxj n ALA 732 Cb 0.18 -0.80 0.20 0.00 0.00 0.00 0.00 19.45 19.03 3dxj n ALA 732 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dxj n ALA 733 N -1.51 2.68 -0.07 0.00 0.00 -1.26 -3.64 120.51 116.71 3dxj n ALA 733 Ca -0.01 -0.86 0.00 0.00 0.00 0.00 0.00 53.44 52.57 3dxj n ALA 733 Cb 0.25 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.71 3dxj n ALA 733 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3dxj n LEU 734 N 0.66 0.10 -0.16 0.00 4.77 0.73 -4.77 117.00 118.33 3dxj n LEU 734 Ca 0.15 -0.35 0.01 0.00 -0.03 0.00 0.00 56.01 55.80 3dxj n LEU 734 Cb 0.49 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.62 3dxj n LEU 734 CO 0.12 0.03 0.27 0.54 -1.33 0.00 0.00 177.39 177.02 3dxj n ARG 735 N -0.49 -0.06 -0.12 3.23 5.12 -1.16 -2.31 116.66 120.86 3dxj n ARG 735 Ca 0.00 0.66 -0.20 0.00 -1.93 0.00 0.00 57.85 56.38 3dxj n ARG 735 Cb 0.02 -0.99 -0.12 0.00 -1.16 0.00 0.00 32.46 30.21 3dxj n ARG 735 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 3dxj n ASP 736 N -4.67 1.99 -3.94 0.55 8.00 -1.26 -4.61 116.55 112.60 3dxj n ASP 736 Ca 0.06 -0.05 -0.42 0.00 0.71 0.00 0.00 54.79 55.10 3dxj n ASP 736 Cb 0.20 -0.50 -0.01 0.00 -0.02 0.00 0.00 41.12 40.78 3dxj n ASP 736 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 3dxj n LEU 737 N -3.43 5.69 -0.02 0.64 7.94 -0.98 -1.86 117.00 124.99 3dxj n LEU 737 Ca -0.46 -3.79 0.01 0.00 -1.11 0.00 0.00 56.01 50.65 3dxj n LEU 737 Cb 0.98 -1.58 -0.01 0.00 0.53 0.00 0.00 43.42 43.34 3dxj n LEU 737 CO 0.24 0.43 0.04 -0.67 -1.11 0.00 0.00 177.39 176.33 3dxj n ASP 738 N 7.39 0.29 -3.24 1.96 2.03 -1.21 -4.77 116.55 119.00 3dxj n ASP 738 Ca 0.50 -0.65 -0.26 0.00 0.52 0.00 0.00 54.79 54.91 3dxj n ASP 738 Cb 0.41 0.83 -0.02 0.00 -0.72 0.00 0.00 41.12 41.62 3dxj n ASP 738 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3dxj n GLU 739 N -0.85 2.24 -3.93 -0.67 1.02 0.06 -4.51 120.64 113.99 3dxj n GLU 739 Ca 0.01 -1.60 -0.41 0.00 -0.02 0.00 0.00 57.16 55.14 3dxj n GLU 739 Cb 0.04 -2.55 0.03 0.00 -0.02 0.00 0.00 31.44 28.94 3dxj n GLU 739 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3dxj n GLU 740 N 4.42 -0.67 0.00 3.49 4.71 -1.26 -2.45 120.64 128.87 3dxj n GLU 740 Ca 0.49 0.22 0.00 0.00 -0.01 0.00 0.00 57.16 57.86 3dxj n GLU 740 Cb 0.17 -3.18 0.00 0.00 -1.01 0.00 0.00 31.44 27.42 3dxj n GLU 740 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3dxj n GLY 741 N -1.95 3.29 3.95 0.62 0.00 -1.26 -4.69 105.19 105.15 3dxj n GLY 741 Ca -0.11 -0.92 -0.22 0.00 0.00 0.00 0.00 46.02 44.77 3dxj n GLY 741 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dxj s VAL 742 N 0.00 5.17 0.17 1.61 1.01 -1.03 -2.65 120.40 124.69 3dxj s VAL 742 Ca 0.00 -1.01 -0.29 0.00 0.00 0.00 0.00 61.98 60.69 3dxj s VAL 742 Cb 0.00 -3.79 -0.08 0.00 0.00 0.00 0.00 36.38 32.51 3dxj s VAL 742 CO 0.00 -0.31 0.90 0.54 0.00 0.00 0.00 175.10 176.24 3dxj s VAL 743 N -1.97 4.30 0.02 2.92 0.11 -1.18 -0.76 120.40 123.84 3dxj s VAL 743 Ca 0.34 1.98 -0.30 0.00 -2.93 0.00 0.00 61.98 61.06 3dxj s VAL 743 Cb -0.09 -4.28 -0.06 0.00 -1.53 0.00 0.00 36.38 30.42 3dxj s VAL 743 CO 0.28 0.44 1.51 0.00 -3.33 0.00 0.00 175.10 174.01 3dxj s ARG 744 N -0.75 4.24 0.55 1.54 1.04 -0.78 -4.88 118.95 119.92 3dxj s ARG 744 Ca 0.41 2.11 -0.18 0.00 -1.04 0.00 0.00 55.73 57.04 3dxj s ARG 744 Cb -0.24 -3.61 -0.11 0.00 -2.04 0.00 0.00 34.95 28.95 3dxj s ARG 744 CO 0.30 -0.65 0.29 -0.89 -0.04 0.00 0.00 175.30 174.30 3dxj n ILE 745 N 4.75 1.45 -2.84 4.99 5.41 -1.26 -3.61 119.36 128.25 3dxj n ILE 745 Ca 0.14 -0.50 -0.08 0.00 1.00 0.00 0.00 62.75 63.31 3dxj n ILE 745 Cb 0.42 -0.44 0.03 0.00 -0.71 0.00 0.00 39.64 38.95 3dxj n ILE 745 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3dxj n GLY 746 N 2.04 0.36 3.40 7.39 0.00 -1.02 -4.94 105.19 112.41 3dxj n GLY 746 Ca 0.10 -0.32 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 3dxj n GLY 746 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dxj s ALA 747 N -3.12 2.61 -0.76 4.61 0.00 -1.24 -4.78 121.76 119.09 3dxj s ALA 747 Ca 0.18 -0.92 -0.26 0.00 0.00 0.00 0.00 51.96 50.96 3dxj s ALA 747 Cb -0.08 -1.11 -0.01 0.00 0.00 0.00 0.00 23.12 21.92 3dxj s ALA 747 CO 0.27 0.35 1.72 -2.00 0.00 0.00 0.00 175.76 176.10 3dxj s GLU 748 N 0.01 2.83 0.18 0.00 2.56 -1.26 -0.76 118.70 122.26 3dxj s GLU 748 Ca -0.04 0.02 -0.05 0.00 0.00 0.00 0.00 54.97 54.90 3dxj s GLU 748 Cb -0.14 -4.63 -0.06 0.00 2.00 0.00 0.00 34.13 31.31 3dxj s GLU 748 CO 0.04 -2.72 0.42 0.14 -0.56 0.00 0.00 175.26 172.58 3dxj s VAL 749 N 8.20 5.13 0.05 3.70 -7.23 0.25 -4.97 120.40 125.52 3dxj s VAL 749 Ca 0.59 0.04 0.03 0.00 -1.81 0.00 0.00 61.98 60.83 3dxj s VAL 749 Cb -0.09 -3.65 -0.02 0.00 0.56 0.00 0.00 36.38 33.18 3dxj s VAL 749 CO 0.11 -0.04 -0.10 -0.54 -0.31 0.00 0.00 175.10 174.22 3dxj s LYS 750 N -2.86 0.65 -0.29 4.82 1.02 -1.26 -2.20 119.74 119.62 3dxj s LYS 750 Ca 0.42 -0.76 -0.41 0.00 0.02 0.00 0.00 55.97 55.24 3dxj s LYS 750 Cb -0.12 -0.52 -0.19 0.00 -0.52 0.00 0.00 37.83 36.48 3dxj s LYS 750 CO 0.25 0.11 1.30 -2.30 -0.92 0.00 0.00 175.35 173.79 3dxj n PRO 751 N 1.60 0.00 0.00 -1.68 -0.02 -1.26 -1.30 135.00 132.34 3dxj n PRO 751 Ca -0.21 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.27 3dxj n PRO 751 Cb 0.55 -1.39 0.00 0.00 -0.02 0.00 0.00 33.50 32.63 3dxj n PRO 751 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dxj n GLY 752 N 2.83 1.65 3.92 -1.23 0.00 0.18 -4.91 105.19 107.63 3dxj n GLY 752 Ca 0.25 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.00 3dxj n GLY 752 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dxj s ASP 753 N -1.77 4.46 -0.51 1.61 1.01 -0.42 -4.61 116.67 116.43 3dxj s ASP 753 Ca 0.00 0.50 -0.12 0.00 0.71 0.00 0.00 52.55 53.64 3dxj s ASP 753 Cb 0.00 -1.00 0.13 0.00 1.01 0.00 0.00 42.92 43.05 3dxj s ASP 753 CO 0.00 -1.87 0.43 -0.63 0.21 0.00 0.00 175.17 173.30 3dxj s ILE 754 N -3.44 4.70 0.24 0.77 1.01 -1.26 -0.09 121.20 123.13 3dxj s ILE 754 Ca 0.63 -1.67 -0.06 0.00 0.00 0.00 0.00 60.65 59.55 3dxj s ILE 754 Cb -0.10 -4.05 0.24 0.00 0.01 0.00 0.00 42.46 38.56 3dxj s ILE 754 CO 0.47 -0.83 1.90 -0.07 0.00 0.00 0.00 174.94 176.42 3dxj h LEU 755 N 8.64 1.14 -7.57 2.97 3.38 -1.10 -3.43 115.31 119.34 3dxj h LEU 755 Ca -0.25 -0.06 -0.17 0.00 0.09 0.00 0.00 57.88 57.49 3dxj h LEU 755 Cb 1.08 -0.29 -0.25 0.00 0.09 0.00 0.00 40.66 41.30 3dxj h LEU 755 CO 0.94 0.87 -0.48 -0.69 0.09 0.00 0.00 178.44 179.17 3dxj s VAL 756 N -5.99 0.02 -0.24 1.22 1.01 -0.99 -3.10 120.40 112.33 3dxj s VAL 756 Ca -0.13 -0.15 -0.11 0.00 0.00 0.00 0.00 61.98 61.60 3dxj s VAL 756 Cb 0.18 -0.32 -0.05 0.00 0.00 0.00 0.00 36.38 36.18 3dxj s VAL 756 CO 0.82 -0.08 0.17 -0.83 0.00 0.00 0.00 175.10 175.18 3dxj s GLY 757 N -0.23 1.99 0.06 4.51 0.00 -1.08 0.76 107.32 113.32 3dxj s GLY 757 Ca -0.03 -0.89 0.03 0.00 0.00 0.00 0.00 44.72 43.83 3dxj s GLY 757 CO 0.01 0.43 -0.10 -1.60 0.00 0.00 0.00 173.10 171.83 3dxj s ARG 758 N 1.11 0.65 -0.08 2.90 3.52 -1.26 -1.21 118.95 124.59 3dxj s ARG 758 Ca 0.08 -0.85 -0.06 0.00 -0.13 0.00 0.00 55.73 54.77 3dxj s ARG 758 Cb -0.14 -0.51 0.03 0.00 -1.56 0.00 0.00 34.95 32.77 3dxj s ARG 758 CO 0.05 0.10 0.21 0.95 -0.81 0.00 0.00 175.30 175.80 3dxj s THR 759 N -1.38 -0.01 0.00 4.11 -4.23 0.52 0.92 115.64 115.57 3dxj s THR 759 Ca -0.06 0.05 0.00 0.00 -1.18 0.00 0.00 61.69 60.50 3dxj s THR 759 Cb -0.10 -0.31 0.00 0.00 1.34 0.00 0.00 72.50 73.43 3dxj s THR 759 CO 0.01 0.02 0.00 -1.54 -0.54 0.00 0.00 174.62 172.57 3dxj n SER 760 N 3.40 0.10 -3.86 3.99 3.41 0.13 -0.55 113.62 120.23 3dxj n SER 760 Ca -0.17 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.20 3dxj n SER 760 Cb 0.57 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.35 3dxj n SER 760 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3dxj s PHE 761 N 0.25 1.03 0.49 7.33 0.40 -1.26 0.35 117.98 126.57 3dxj s PHE 761 Ca 0.00 -0.40 0.03 0.00 -0.60 0.00 0.00 56.93 55.96 3dxj s PHE 761 Cb 0.00 -0.95 0.02 0.00 0.51 0.00 0.00 43.02 42.60 3dxj s PHE 761 CO 0.00 -0.36 0.69 0.21 0.70 0.00 0.00 175.22 176.46 3dxj s LYS 762 N 1.57 2.72 -1.49 0.44 2.20 -1.25 -4.01 119.74 119.92 3dxj s LYS 762 Ca 0.00 -0.88 -0.15 0.00 -0.36 0.00 0.00 55.97 54.59 3dxj s LYS 762 Cb -0.13 -2.59 0.12 0.00 -1.51 0.00 0.00 37.83 33.72 3dxj s LYS 762 CO -0.05 -0.49 0.67 0.41 -0.36 0.00 0.00 175.35 175.54 3dxj n GLY 763 N -2.13 -0.47 3.59 5.54 0.00 -1.26 0.22 105.19 110.68 3dxj n GLY 763 Ca 0.07 0.12 -0.21 0.00 0.00 0.00 0.00 46.02 46.00 3dxj n GLY 763 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3dxj n GLU 764 N -4.10 -6.11 -3.11 1.61 2.13 -1.26 -2.29 120.64 107.51 3dxj n GLU 764 Ca 0.04 0.74 -0.19 0.00 0.66 0.00 0.00 57.16 58.42 3dxj n GLU 764 Cb 0.51 -5.59 -0.01 0.00 0.27 0.00 0.00 31.44 26.62 3dxj n GLU 764 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 3dxj n SER 765 N -3.06 -3.29 -4.22 4.31 3.41 0.58 -4.95 113.62 106.40 3dxj n SER 765 Ca -0.22 -0.19 -0.37 0.00 -0.26 0.00 0.00 58.87 57.83 3dxj n SER 765 Cb 0.64 -2.77 -0.12 0.00 -0.26 0.00 0.00 64.21 61.70 3dxj n SER 765 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3dxj s GLU 766 N -5.72 2.45 0.05 4.33 2.02 -0.97 -4.94 118.70 115.92 3dxj s GLU 766 Ca 0.28 -1.36 -0.31 0.00 0.02 0.00 0.00 54.97 53.60 3dxj s GLU 766 Cb -0.15 -3.46 -0.07 0.00 0.10 0.00 0.00 34.13 30.55 3dxj s GLU 766 CO 0.35 -0.77 1.42 -1.25 0.02 0.00 0.00 175.26 175.02 3dxj s PRO 767 N 1.32 4.29 0.35 0.39 0.04 -1.26 -4.79 135.00 135.33 3dxj s PRO 767 Ca -0.00 2.04 -0.26 0.00 0.04 0.00 0.00 61.00 62.82 3dxj s PRO 767 Cb -0.21 -3.45 -0.13 0.00 0.04 0.00 0.00 34.50 30.75 3dxj s PRO 767 CO 0.00 -0.54 0.95 2.41 0.04 0.00 0.00 177.00 179.87 3dxj n THR 768 N 4.40 2.11 0.03 1.26 -1.04 -1.26 -4.73 114.28 115.05 3dxj n THR 768 Ca 0.13 -0.50 -0.06 0.00 -2.04 0.00 0.00 64.05 61.58 3dxj n THR 768 Cb 0.43 -0.99 0.14 0.00 -1.82 0.00 0.00 70.33 68.08 3dxj n THR 768 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 3dxj h PRO 769 N 1.70 0.43 0.89 -2.82 0.11 -1.97 1.15 132.00 131.50 3dxj h PRO 769 Ca -0.41 -0.23 -0.04 0.00 0.11 0.00 0.00 66.00 65.43 3dxj h PRO 769 Cb 1.35 0.01 0.01 0.00 0.11 0.00 0.00 31.00 32.47 3dxj h PRO 769 CO 0.58 0.80 -0.46 0.93 -0.21 0.00 0.00 178.00 179.64 3dxj h GLU 770 N 0.35 -1.19 -0.82 1.05 4.39 -2.02 -2.44 114.58 113.92 3dxj h GLU 770 Ca 0.03 0.08 0.06 0.00 0.34 0.00 0.00 59.36 59.87 3dxj h GLU 770 Cb 0.92 0.27 -0.06 0.00 -0.10 0.00 0.00 28.75 29.78 3dxj h GLU 770 CO 0.08 -0.79 0.50 1.49 -1.16 0.00 0.00 179.01 179.13 3dxj h GLU 771 N -1.23 0.88 0.00 2.33 4.81 -1.89 -3.08 114.58 116.41 3dxj h GLU 771 Ca -0.12 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 3dxj h GLU 771 Cb 0.96 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.14 3dxj h GLU 771 CO 0.18 0.58 0.00 -2.13 -0.73 0.00 0.00 179.01 176.91 3dxj n ARG 772 N -4.66 0.00 -0.19 1.92 0.63 0.40 -0.23 116.66 114.53 3dxj n ARG 772 Ca 0.11 0.54 -0.05 0.00 -0.92 0.00 0.00 57.85 57.53 3dxj n ARG 772 Cb 0.18 -0.96 -0.05 0.00 0.45 0.00 0.00 32.46 32.08 3dxj n ARG 772 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 3dxj n LEU 773 N -1.45 -0.48 -0.24 6.15 7.94 -1.03 -1.04 117.00 126.85 3dxj n LEU 773 Ca 0.00 1.18 -0.07 0.00 -1.11 0.00 0.00 56.01 56.01 3dxj n LEU 773 Cb 0.00 -0.29 -0.06 0.00 0.53 0.00 0.00 43.42 43.59 3dxj n LEU 773 CO 0.00 -0.85 0.49 0.25 -1.11 0.00 0.00 177.39 176.17 3dxj h LEU 774 N 0.00 -1.34 -0.82 -1.96 7.12 -1.26 -0.27 115.31 116.78 3dxj h LEU 774 Ca 0.07 0.20 0.19 0.00 0.13 0.00 0.00 57.88 58.48 3dxj h LEU 774 Cb 0.19 0.59 -0.15 0.00 -0.53 0.00 0.00 40.66 40.76 3dxj h LEU 774 CO -0.43 -0.16 -0.01 0.03 -0.13 0.00 0.00 178.44 177.74 3dxj h ARG 775 N -0.04 0.08 -0.94 1.25 2.47 0.11 0.02 114.38 117.32 3dxj h ARG 775 Ca 0.09 -0.00 0.08 0.00 -1.26 0.00 0.00 59.98 58.88 3dxj h ARG 775 Cb 0.28 -0.02 -0.06 0.00 -1.65 0.00 0.00 29.97 28.52 3dxj h ARG 775 CO -0.56 0.05 0.61 0.66 0.56 0.00 0.00 179.97 181.29 3dxj h SER 776 N 0.08 0.93 0.00 7.04 4.64 -0.04 -2.05 113.55 124.15 3dxj h SER 776 Ca 0.46 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 3dxj h SER 776 Cb 0.83 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 3dxj h SER 776 CO -0.74 0.58 0.06 -0.38 -0.87 0.00 0.00 176.83 175.47 3dxj n ILE 777 N -4.51 1.55 -2.33 0.95 5.41 -0.01 -1.64 119.36 118.78 3dxj n ILE 777 Ca 0.15 0.56 0.03 0.00 1.00 0.00 0.00 62.75 64.50 3dxj n ILE 777 Cb 0.23 -1.56 0.03 0.00 -0.71 0.00 0.00 39.64 37.62 3dxj n ILE 777 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 3dxj n PHE 778 N -1.65 0.00 -0.16 1.39 3.01 -0.80 -5.01 117.46 114.24 3dxj n PHE 778 Ca -0.00 -0.45 0.00 0.00 1.01 0.00 0.00 57.45 58.01 3dxj n PHE 778 Cb 0.07 -0.13 0.00 0.00 -0.01 0.00 0.00 39.48 39.41 3dxj n PHE 778 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3dxj n GLY 779 N 0.28 0.05 2.63 1.37 0.00 -0.65 -4.95 105.19 103.92 3dxj n GLY 779 Ca 0.06 -0.64 -0.28 0.00 0.00 0.00 0.00 46.02 45.15 3dxj n GLY 779 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3dxj n GLU 780 N -0.03 2.29 -3.19 1.61 2.13 -0.99 -4.67 120.64 117.79 3dxj n GLU 780 Ca 0.00 -1.67 -0.46 0.00 0.66 0.00 0.00 57.16 55.69 3dxj n GLU 780 Cb 0.00 -2.60 -0.02 0.00 0.27 0.00 0.00 31.44 29.09 3dxj n GLU 780 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 3dxj s LYS 781 N 3.42 3.65 -0.78 5.31 2.47 -1.26 -4.80 119.74 127.75 3dxj s LYS 781 Ca 0.47 -2.29 -0.22 0.00 -1.56 0.00 0.00 55.97 52.37 3dxj s LYS 781 Cb 0.12 -4.61 -0.16 0.00 -1.46 0.00 0.00 37.83 31.72 3dxj s LYS 781 CO -0.02 -1.45 1.92 0.00 0.16 0.00 0.00 175.35 175.95 3dxj n ALA 782 N 4.76 3.13 -1.55 3.13 0.00 -1.26 -4.87 120.51 123.85 3dxj n ALA 782 Ca 0.18 -3.28 -0.48 0.00 0.00 0.00 0.00 53.44 49.86 3dxj n ALA 782 Cb 0.47 -3.63 -0.05 0.00 0.00 0.00 0.00 19.45 16.24 3dxj n ALA 782 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3dxj n ARG 783 N 7.13 1.57 0.00 0.00 0.63 -1.26 -4.67 116.66 120.06 3dxj n ARG 783 Ca 0.49 0.48 0.00 0.00 -0.92 0.00 0.00 57.85 57.90 3dxj n ARG 783 Cb 0.41 -2.71 0.00 0.00 0.45 0.00 0.00 32.46 30.61 3dxj n ARG 783 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 3dxj n ASP 784 N 9.54 0.00 -4.62 6.15 5.75 -1.26 -4.59 116.55 127.51 3dxj n ASP 784 Ca 0.34 0.37 -0.41 0.00 -0.01 0.00 0.00 54.79 55.07 3dxj n ASP 784 Cb 0.30 -0.37 -0.06 0.00 -1.03 0.00 0.00 41.12 39.97 3dxj n ASP 784 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3dxj s VAL 785 N -2.71 4.88 -0.04 2.12 1.01 -1.24 -3.85 120.40 120.58 3dxj s VAL 785 Ca 0.00 1.15 -0.17 0.00 0.00 0.00 0.00 61.98 62.96 3dxj s VAL 785 Cb 0.00 -4.05 -0.05 0.00 0.00 0.00 0.00 36.38 32.28 3dxj s VAL 785 CO 0.00 -0.12 0.47 -0.75 0.00 0.00 0.00 175.10 174.70 3dxj s LYS 786 N 2.74 4.16 -0.17 2.72 2.20 1.08 -4.71 119.74 127.76 3dxj s LYS 786 Ca 0.29 0.49 -0.29 0.00 -0.36 0.00 0.00 55.97 56.10 3dxj s LYS 786 Cb -0.15 -3.32 -0.01 0.00 -1.51 0.00 0.00 37.83 32.84 3dxj s LYS 786 CO 0.10 0.44 1.26 0.34 -0.36 0.00 0.00 175.35 177.14 3dxj s ASP 787 N -0.32 6.94 -0.20 1.43 2.15 -1.26 0.19 116.67 125.61 3dxj s ASP 787 Ca 0.26 1.69 0.16 0.00 0.43 0.00 0.00 52.55 55.08 3dxj s ASP 787 Cb -0.17 -2.54 0.45 0.00 -0.30 0.00 0.00 42.92 40.37 3dxj s ASP 787 CO 0.13 -0.76 1.18 0.35 -0.17 0.00 0.00 175.17 175.90 3dxj n THR 788 N 5.37 1.63 -1.30 1.71 -2.24 0.26 -4.93 114.28 114.79 3dxj n THR 788 Ca 0.14 -2.97 -0.34 0.00 -2.27 0.00 0.00 64.05 58.61 3dxj n THR 788 Cb 0.45 0.09 0.11 0.00 -2.10 0.00 0.00 70.33 68.88 3dxj n THR 788 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3dxj s SER 789 N -3.19 3.89 -0.23 3.42 0.01 -0.68 -4.49 113.70 112.43 3dxj s SER 789 Ca 0.39 2.42 -0.25 0.00 1.31 0.00 0.00 55.95 59.82 3dxj s SER 789 Cb 0.38 -2.60 -0.00 0.00 0.21 0.00 0.00 66.02 64.01 3dxj s SER 789 CO -0.05 -2.47 0.87 -0.22 0.41 0.00 0.00 173.24 171.77 3dxj s LEU 790 N -5.33 4.09 0.32 2.44 2.96 0.23 -4.80 118.68 118.58 3dxj s LEU 790 Ca 0.75 1.11 0.07 0.00 -0.22 0.00 0.00 54.13 55.85 3dxj s LEU 790 Cb -0.31 -3.25 -0.03 0.00 0.50 0.00 0.00 46.19 43.10 3dxj s LEU 790 CO 0.47 -0.53 0.25 -0.13 -1.32 0.00 0.00 176.35 175.09 3dxj s ARG 791 N 2.85 2.73 -0.24 1.98 1.81 -1.26 -0.52 118.95 126.30 3dxj s ARG 791 Ca 0.37 -1.27 -0.29 0.00 -1.72 0.00 0.00 55.73 52.82 3dxj s ARG 791 Cb -0.15 -2.46 -0.01 0.00 -0.45 0.00 0.00 34.95 31.88 3dxj s ARG 791 CO 0.07 0.16 1.31 0.08 -0.68 0.00 0.00 175.30 176.24 3dxj s VAL 792 N -2.28 4.17 0.89 3.52 1.01 0.87 -4.78 120.40 123.80 3dxj s VAL 792 Ca 0.39 1.36 -0.13 0.00 0.00 0.00 0.00 61.98 63.59 3dxj s VAL 792 Cb -0.06 -4.06 0.02 0.00 0.00 0.00 0.00 36.38 32.28 3dxj s VAL 792 CO 0.26 -0.33 0.50 -2.65 0.00 0.00 0.00 175.10 172.88 3dxj n PRO 793 N 7.05 -0.13 0.00 2.72 -0.02 -1.26 0.50 135.00 143.87 3dxj n PRO 793 Ca 0.15 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 3dxj n PRO 793 Cb 0.46 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 3dxj n PRO 793 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3dxj n PRO 794 N -1.64 0.27 0.00 0.52 -0.04 -1.26 -4.20 135.00 128.65 3dxj n PRO 794 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 3dxj n PRO 794 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 3dxj n PRO 794 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3dxj n GLY 795 N 0.56 1.83 3.64 0.55 0.00 -1.26 -4.76 105.19 105.74 3dxj n GLY 795 Ca 0.00 0.07 -0.09 0.00 0.00 0.00 0.00 46.02 46.00 3dxj n GLY 795 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dxj s GLU 796 N 0.00 1.59 0.00 1.61 0.41 -1.26 -4.80 118.70 116.25 3dxj s GLU 796 Ca 0.00 -1.20 0.00 0.00 -0.41 0.00 0.00 54.97 53.36 3dxj s GLU 796 Cb 0.00 0.50 0.00 0.00 -1.78 0.00 0.00 34.13 32.85 3dxj s GLU 796 CO 0.00 -0.67 0.00 0.41 -0.49 0.00 0.00 175.26 174.51 3dxj n GLY 797 N -0.40 2.20 0.00 -1.39 0.00 -1.26 -4.66 105.19 99.68 3dxj n GLY 797 Ca -0.02 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.79 3dxj n GLY 797 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dxj n GLY 798 N 2.56 0.27 3.29 -0.02 0.00 -0.93 -4.77 105.19 105.60 3dxj n GLY 798 Ca 0.00 -1.27 -0.31 0.00 0.00 0.00 0.00 46.02 44.44 3dxj n GLY 798 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3dxj s ILE 799 N -4.00 2.01 0.85 -0.61 -4.36 -0.70 0.85 121.20 115.24 3dxj s ILE 799 Ca 0.00 -1.08 -0.14 0.00 -0.26 0.00 0.00 60.65 59.17 3dxj s ILE 799 Cb 0.00 -1.68 0.02 0.00 1.25 0.00 0.00 42.46 42.05 3dxj s ILE 799 CO 0.00 0.57 0.56 0.52 0.24 0.00 0.00 174.94 176.83 3dxj n VAL 800 N 2.57 0.93 0.00 8.37 0.31 0.06 -2.20 118.33 128.37 3dxj n VAL 800 Ca -0.16 -0.27 0.00 0.00 -0.01 0.00 0.00 64.34 63.90 3dxj n VAL 800 Cb 0.51 -0.75 0.00 0.00 -0.91 0.00 0.00 33.84 32.70 3dxj n VAL 800 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 3dxj n VAL 801 N -3.12 0.00 -3.54 2.52 0.24 -0.62 -2.45 118.33 111.36 3dxj n VAL 801 Ca 0.09 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.24 3dxj n VAL 801 Cb 0.52 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.83 3dxj n VAL 801 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3dxj s ARG 802 N -0.70 0.89 -0.07 7.34 3.52 -1.21 -4.80 118.95 123.92 3dxj s ARG 802 Ca 0.00 0.24 -0.03 0.00 -0.13 0.00 0.00 55.73 55.81 3dxj s ARG 802 Cb 0.00 0.42 0.04 0.00 -1.56 0.00 0.00 34.95 33.85 3dxj s ARG 802 CO 0.00 -0.27 0.14 0.95 -0.81 0.00 0.00 175.30 175.30 3dxj s THR 803 N -1.12 -0.13 -0.08 4.11 -4.23 -1.26 -1.26 115.64 111.68 3dxj s THR 803 Ca -0.07 0.26 0.04 0.00 -1.18 0.00 0.00 61.69 60.74 3dxj s THR 803 Cb -0.00 -0.24 -0.01 0.00 1.34 0.00 0.00 72.50 73.59 3dxj s THR 803 CO 0.07 0.11 -0.22 -0.69 -0.54 0.00 0.00 174.62 173.34 3dxj s VAL 804 N 1.61 2.30 -0.13 2.29 1.01 -0.39 -4.99 120.40 122.09 3dxj s VAL 804 Ca -0.04 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 60.98 3dxj s VAL 804 Cb -0.12 -1.87 0.02 0.00 0.00 0.00 0.00 36.38 34.41 3dxj s VAL 804 CO -0.05 0.56 -0.12 -0.60 0.00 0.00 0.00 175.10 174.89 3dxj s ARG 805 N 0.00 2.03 -0.25 2.72 3.52 -1.26 -0.72 118.95 124.99 3dxj s ARG 805 Ca -0.08 -0.46 -0.06 0.00 -0.13 0.00 0.00 55.73 55.01 3dxj s ARG 805 Cb -0.15 -1.89 -0.01 0.00 -1.56 0.00 0.00 34.95 31.34 3dxj s ARG 805 CO 0.05 -0.21 0.03 -0.51 -0.81 0.00 0.00 175.30 173.85 3dxj s LEU 806 N 1.45 3.33 -0.70 -0.88 1.43 -0.68 -4.98 118.68 117.65 3dxj s LEU 806 Ca 0.03 -0.40 0.05 0.00 -1.03 0.00 0.00 54.13 52.78 3dxj s LEU 806 Cb -0.13 -1.84 0.19 0.00 0.03 0.00 0.00 46.19 44.44 3dxj s LEU 806 CO -0.08 -0.07 0.57 -1.14 0.23 0.00 0.00 176.35 175.87 3dxj n ARG 807 N 4.86 2.06 -2.11 1.70 0.63 -1.26 0.60 116.66 123.14 3dxj n ARG 807 Ca -0.17 -4.55 -0.03 0.00 -0.92 0.00 0.00 57.85 52.19 3dxj n ARG 807 Cb 0.50 -2.29 -0.01 0.00 0.45 0.00 0.00 32.46 31.12 3dxj n ARG 807 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3dxj n ARG 808 N 1.67 -2.33 -0.14 -0.14 1.74 -1.18 -4.33 116.66 111.95 3dxj n ARG 808 Ca 0.23 0.17 -0.06 0.00 -0.77 0.00 0.00 57.85 57.42 3dxj n ARG 808 Cb 0.37 -4.57 -0.01 0.00 -1.02 0.00 0.00 32.46 27.22 3dxj n ARG 808 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3dxj n GLY 809 N -0.44 -0.02 0.33 -0.13 0.00 -1.26 -4.58 105.19 99.08 3dxj n GLY 809 Ca -0.04 0.12 0.17 0.00 0.00 0.00 0.00 46.02 46.27 3dxj n GLY 809 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3dxj h ASP 810 N 1.05 0.00 0.38 1.61 3.32 -1.89 0.45 116.42 121.34 3dxj h ASP 810 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3dxj h ASP 810 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 3dxj h ASP 810 CO 0.13 0.00 0.00 1.55 -1.72 0.00 0.00 179.24 179.20 3dxj h PRO 811 N 0.00 0.00 0.00 3.56 0.13 -1.96 -3.42 132.00 130.31 3dxj h PRO 811 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 3dxj h PRO 811 Cb 0.46 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.59 3dxj h PRO 811 CO -0.00 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.18 3dxj n GLY 812 N -0.65 -0.16 3.74 1.56 0.00 -0.39 -5.14 105.19 104.15 3dxj n GLY 812 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3dxj n GLY 812 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dxj s VAL 813 N 0.00 3.08 -0.55 1.61 1.01 0.15 -4.95 120.40 120.74 3dxj s VAL 813 Ca 0.00 0.91 0.06 0.00 0.00 0.00 0.00 61.98 62.95 3dxj s VAL 813 Cb 0.00 -3.58 0.34 0.00 0.00 0.00 0.00 36.38 33.14 3dxj s VAL 813 CO 0.00 0.15 0.93 -1.84 0.00 0.00 0.00 175.10 174.34 3dxj n GLU 814 N 2.36 2.98 -1.64 2.72 0.28 -1.26 -4.56 120.64 121.52 3dxj n GLU 814 Ca 0.05 -4.68 -0.44 0.00 -0.16 0.00 0.00 57.16 51.93 3dxj n GLU 814 Cb 0.42 -2.18 -0.01 0.00 1.43 0.00 0.00 31.44 31.10 3dxj n GLU 814 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 3dxj n LEU 815 N -0.19 2.58 -4.73 -1.84 4.77 -1.26 -4.88 117.00 111.45 3dxj n LEU 815 Ca 0.30 1.19 -0.41 0.00 -0.03 0.00 0.00 56.01 57.06 3dxj n LEU 815 Cb 0.43 -1.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.15 3dxj n LEU 815 CO 0.32 -0.97 0.97 0.29 -1.33 0.00 0.00 177.39 176.68 3dxj n LYS 816 N 0.76 2.22 -1.65 3.23 4.01 -1.26 -4.83 118.16 120.64 3dxj n LYS 816 Ca 0.08 0.78 -0.46 0.00 -0.51 0.00 0.00 58.31 58.20 3dxj n LYS 816 Cb 0.33 -2.46 -0.03 0.00 -0.51 0.00 0.00 35.03 32.36 3dxj n LYS 816 CO 0.00 0.00 0.00 -2.30 -1.11 0.00 0.00 177.40 173.99 3dxj n PRO 817 N 0.29 1.83 0.00 1.97 -0.02 -1.26 -0.42 135.00 137.40 3dxj n PRO 817 Ca 0.04 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 3dxj n PRO 817 Cb 0.38 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 3dxj n PRO 817 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dxj n GLY 818 N 2.34 2.76 3.64 -1.23 0.00 -1.26 -5.03 105.19 106.41 3dxj n GLY 818 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 3dxj n GLY 818 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dxj s VAL 819 N -2.74 5.23 -0.11 1.61 1.01 0.44 -0.92 120.40 124.93 3dxj s VAL 819 Ca 0.00 0.51 -0.26 0.00 0.00 0.00 0.00 61.98 62.24 3dxj s VAL 819 Cb 0.00 -3.66 -0.28 0.00 0.00 0.00 0.00 36.38 32.45 3dxj s VAL 819 CO 0.00 0.24 0.77 0.03 0.00 0.00 0.00 175.10 176.14 3dxj h ARG 820 N 7.75 0.11 -3.03 2.72 3.08 0.97 -3.43 114.38 122.56 3dxj h ARG 820 Ca -0.35 -0.20 0.02 0.00 0.07 0.00 0.00 59.98 59.52 3dxj h ARG 820 Cb 1.17 0.07 -0.09 0.00 0.08 0.00 0.00 29.97 31.20 3dxj h ARG 820 CO 0.67 1.09 0.20 -1.83 -1.07 0.00 0.00 179.97 179.03 3dxj s GLU 821 N -2.31 1.49 0.31 0.04 -1.05 -1.20 -3.08 118.70 112.89 3dxj s GLU 821 Ca -0.18 -0.71 0.03 0.00 -0.15 0.00 0.00 54.97 53.96 3dxj s GLU 821 Cb -0.01 0.59 -0.05 0.00 -0.44 0.00 0.00 34.13 34.23 3dxj s GLU 821 CO 0.74 -0.66 0.10 0.14 0.95 0.00 0.00 175.26 176.53 3dxj s VAL 822 N -3.83 0.68 0.02 1.83 -7.23 0.20 -0.09 120.40 111.99 3dxj s VAL 822 Ca 0.06 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.16 3dxj s VAL 822 Cb -0.03 -2.61 -0.00 0.00 0.56 0.00 0.00 36.38 34.30 3dxj s VAL 822 CO -0.04 0.00 0.13 -0.69 -0.31 0.00 0.00 175.10 174.19 3dxj s VAL 823 N -3.51 0.10 -0.02 1.32 1.01 -0.99 -1.68 120.40 116.62 3dxj s VAL 823 Ca 0.35 -0.82 -0.01 0.00 0.00 0.00 0.00 61.98 61.50 3dxj s VAL 823 Cb 0.07 -0.59 0.02 0.00 0.00 0.00 0.00 36.38 35.88 3dxj s VAL 823 CO 0.15 -0.45 0.04 -0.13 0.00 0.00 0.00 175.10 174.71 3dxj s ARG 824 N -1.81 -0.00 -0.01 2.72 0.52 0.11 -2.43 118.95 118.03 3dxj s ARG 824 Ca -0.11 0.17 0.05 0.00 -0.52 0.00 0.00 55.73 55.32 3dxj s ARG 824 Cb -0.05 -0.17 -0.01 0.00 0.52 0.00 0.00 34.95 35.24 3dxj s ARG 824 CO -0.01 -0.12 -0.17 0.08 0.02 0.00 0.00 175.30 175.10 3dxj s VAL 825 N 0.79 1.35 -0.14 3.52 1.01 -0.77 -1.26 120.40 124.89 3dxj s VAL 825 Ca -0.06 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.20 3dxj s VAL 825 Cb -0.09 -1.12 -0.00 0.00 0.00 0.00 0.00 36.38 35.16 3dxj s VAL 825 CO -0.03 0.38 -0.18 -0.31 0.00 0.00 0.00 175.10 174.97 3dxj s TYR 826 N -0.39 2.73 -0.07 5.22 1.51 -0.39 -0.72 117.35 125.25 3dxj s TYR 826 Ca 0.06 -1.08 0.05 0.00 -1.01 0.00 0.00 57.07 55.10 3dxj s TYR 826 Cb -0.07 -1.85 -0.01 0.00 -0.11 0.00 0.00 41.96 39.92 3dxj s TYR 826 CO -0.01 -0.48 -0.22 0.08 -1.11 0.00 0.00 175.55 173.81 3dxj s VAL 827 N 0.72 2.27 0.34 0.71 1.01 0.17 -1.59 120.40 124.03 3dxj s VAL 827 Ca -0.08 -0.98 0.08 0.00 0.00 0.00 0.00 61.98 61.00 3dxj s VAL 827 Cb -0.16 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 3dxj s VAL 827 CO 0.01 0.57 0.21 0.00 0.00 0.00 0.00 175.10 175.89 3dxj s ALA 828 N -0.09 3.65 -0.29 5.51 0.00 -0.93 0.54 121.76 130.15 3dxj s ALA 828 Ca -0.05 -1.75 -0.16 0.00 0.00 0.00 0.00 51.96 50.01 3dxj s ALA 828 Cb -0.14 -0.93 0.12 0.00 0.00 0.00 0.00 23.12 22.17 3dxj s ALA 828 CO 0.04 0.03 0.87 1.14 0.00 0.00 0.00 175.76 177.84 3dxj s GLN 829 N -3.91 0.49 -1.14 0.00 -2.07 -0.87 -1.73 119.66 110.44 3dxj s GLN 829 Ca 0.39 0.89 -0.18 0.00 -1.82 0.00 0.00 55.36 54.64 3dxj s GLN 829 Cb -0.04 0.16 -0.05 0.00 -1.09 0.00 0.00 33.01 31.99 3dxj s GLN 829 CO 0.24 -0.11 2.06 1.63 -1.32 0.00 0.00 175.29 177.80 3dxj n LYS 830 N 4.07 2.24 -1.44 9.60 5.02 -1.26 -1.65 118.16 134.74 3dxj n LYS 830 Ca -0.18 -2.30 -0.48 0.00 -2.02 0.00 0.00 58.31 53.32 3dxj n LYS 830 Cb 0.57 -3.15 -0.09 0.00 -0.02 0.00 0.00 35.03 32.34 3dxj n LYS 830 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3dxj n ARG 831 N 6.68 0.70 -2.84 1.97 1.74 0.11 -4.58 116.66 120.44 3dxj n ARG 831 Ca 0.51 0.15 -0.21 0.00 -0.77 0.00 0.00 57.85 57.53 3dxj n ARG 831 Cb 0.40 -2.26 0.07 0.00 -1.02 0.00 0.00 32.46 29.65 3dxj n ARG 831 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 3dxj s LYS 832 N 6.97 2.17 0.26 5.56 2.20 -1.26 0.54 119.74 136.18 3dxj s LYS 832 Ca 1.15 -1.34 -0.30 0.00 -0.36 0.00 0.00 55.97 55.12 3dxj s LYS 832 Cb -0.94 -2.54 -0.09 0.00 -1.51 0.00 0.00 37.83 32.75 3dxj s LYS 832 CO 0.49 -0.98 1.04 -1.17 -0.36 0.00 0.00 175.35 174.36 3dxj s LEU 833 N -4.80 4.59 0.18 5.43 2.96 0.12 -4.89 118.68 122.27 3dxj s LEU 833 Ca 0.62 2.15 -0.18 0.00 -0.22 0.00 0.00 54.13 56.50 3dxj s LEU 833 Cb -0.06 -3.62 0.03 0.00 0.50 0.00 0.00 46.19 43.04 3dxj s LEU 833 CO 0.40 -0.03 0.51 0.00 -1.32 0.00 0.00 176.35 175.92 3dxj s GLN 834 N -1.33 1.33 -0.31 1.98 -2.07 -1.26 -5.02 119.66 112.97 3dxj s GLN 834 Ca 0.43 -0.81 -0.35 0.00 -1.82 0.00 0.00 55.36 52.81 3dxj s GLN 834 Cb -0.30 0.52 -0.12 0.00 -1.09 0.00 0.00 33.01 32.03 3dxj s GLN 834 CO 0.38 -0.56 2.12 0.28 -1.32 0.00 0.00 175.29 176.18 3dxj n VAL 835 N -0.33 0.24 0.00 3.63 0.31 -1.26 -2.01 118.33 118.92 3dxj n VAL 835 Ca -0.11 -0.23 0.00 0.00 -0.01 0.00 0.00 64.34 63.99 3dxj n VAL 835 Cb 0.63 -1.65 0.00 0.00 -0.91 0.00 0.00 33.84 31.90 3dxj n VAL 835 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3dxj n GLY 836 N 6.08 4.13 3.36 2.92 0.00 -0.73 -4.98 105.19 115.96 3dxj n GLY 836 Ca 0.38 -0.80 -0.36 0.00 0.00 0.00 0.00 46.02 45.23 3dxj n GLY 836 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3dxj n ASP 837 N 0.00 -2.41 -4.49 1.61 8.00 -0.85 -4.36 116.55 114.05 3dxj n ASP 837 Ca 0.00 0.48 -0.33 0.00 0.71 0.00 0.00 54.79 55.65 3dxj n ASP 837 Cb 0.00 -1.10 -0.13 0.00 -0.02 0.00 0.00 41.12 39.87 3dxj n ASP 837 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 3dxj s LYS 838 N -2.63 2.48 0.19 -1.24 -2.85 -1.26 -1.37 119.74 113.07 3dxj s LYS 838 Ca 0.59 -0.71 0.09 0.00 -1.00 0.00 0.00 55.97 54.94 3dxj s LYS 838 Cb -0.31 -2.39 -0.04 0.00 -2.06 0.00 0.00 37.83 33.03 3dxj s LYS 838 CO 0.65 0.62 -0.19 -0.51 0.10 0.00 0.00 175.35 176.02 3dxj s LEU 839 N -0.86 2.48 -0.06 2.77 1.43 0.35 -0.94 118.68 123.84 3dxj s LEU 839 Ca 0.12 -0.91 -0.19 0.00 -1.03 0.00 0.00 54.13 52.12 3dxj s LEU 839 Cb -0.11 -0.88 0.04 0.00 0.03 0.00 0.00 46.19 45.28 3dxj s LEU 839 CO 0.02 -0.03 0.44 0.00 0.23 0.00 0.00 176.35 177.01 3dxj s ALA 840 N -2.22 -1.12 0.32 4.21 0.00 -0.28 -1.55 121.76 121.12 3dxj s ALA 840 Ca 0.19 0.81 0.06 0.00 0.00 0.00 0.00 51.96 53.03 3dxj s ALA 840 Cb -0.05 -0.15 -0.02 0.00 0.00 0.00 0.00 23.12 22.91 3dxj s ALA 840 CO 0.08 -0.28 0.42 0.54 0.00 0.00 0.00 175.76 176.52 3dxj s ASN 841 N -0.91 5.92 0.00 0.00 2.20 -0.25 -0.88 114.94 121.01 3dxj s ASN 841 Ca -0.10 -0.19 0.00 0.00 -0.94 0.00 0.00 52.86 51.63 3dxj s ASN 841 Cb -0.03 -1.31 0.00 0.00 -2.00 0.00 0.00 41.25 37.91 3dxj s ASN 841 CO 0.05 -0.34 0.75 0.54 -2.94 0.00 0.00 177.10 175.15 3dxj n ARG 842 N -1.55 0.00 -1.81 3.55 1.74 -1.26 -3.02 116.66 114.31 3dxj n ARG 842 Ca -0.02 0.26 -0.37 0.00 -0.77 0.00 0.00 57.85 56.96 3dxj n ARG 842 Cb 0.58 -1.52 0.05 0.00 -1.02 0.00 0.00 32.46 30.55 3dxj n ARG 842 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3dxj n HIS 843 N -1.25 3.08 -0.39 -1.55 8.25 -1.26 -4.47 115.22 117.63 3dxj n HIS 843 Ca 0.00 -2.59 0.00 0.00 -0.26 0.00 0.00 57.72 54.87 3dxj n HIS 843 Cb 0.02 -1.12 0.00 0.00 1.12 0.00 0.00 29.99 30.01 3dxj n HIS 843 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3dxj n GLY 844 N -0.65 0.00 3.59 -1.41 0.00 -1.17 -4.84 105.19 100.71 3dxj n GLY 844 Ca 0.55 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.14 3dxj n GLY 844 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3dxj s ASN 845 N -1.20 6.62 0.33 1.61 3.84 -1.26 -4.80 114.94 120.08 3dxj s ASN 845 Ca 0.00 0.42 0.06 0.00 0.21 0.00 0.00 52.86 53.55 3dxj s ASN 845 Cb 0.00 -2.48 -0.07 0.00 -0.55 0.00 0.00 41.25 38.15 3dxj s ASN 845 CO 0.00 -1.02 0.00 -0.75 -2.79 0.00 0.00 177.10 172.54 3dxj s LYS 846 N 3.82 1.71 0.00 0.43 2.20 -1.26 -1.09 119.74 125.54 3dxj s LYS 846 Ca 0.40 -1.93 0.00 0.00 -0.36 0.00 0.00 55.97 54.09 3dxj s LYS 846 Cb -0.10 -1.21 0.00 0.00 -1.51 0.00 0.00 37.83 35.01 3dxj s LYS 846 CO 0.24 -0.06 0.00 0.41 -0.36 0.00 0.00 175.35 175.58 3dxj n GLY 847 N -0.74 1.68 3.75 5.54 0.00 -0.60 -4.85 105.19 109.97 3dxj n GLY 847 Ca -0.04 -0.98 -0.28 0.00 0.00 0.00 0.00 46.02 44.72 3dxj n GLY 847 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dxj s VAL 848 N -2.00 4.25 -0.43 1.61 1.01 -1.18 -0.49 120.40 123.17 3dxj s VAL 848 Ca 0.00 -1.08 -0.28 0.00 0.00 0.00 0.00 61.98 60.62 3dxj s VAL 848 Cb 0.00 -3.12 -0.01 0.00 0.00 0.00 0.00 36.38 33.26 3dxj s VAL 848 CO 0.00 -0.03 1.65 -0.69 0.00 0.00 0.00 175.10 176.04 3dxj s VAL 849 N -1.60 3.61 -0.11 2.92 1.01 -0.47 0.11 120.40 125.87 3dxj s VAL 849 Ca 0.29 0.58 -0.26 0.00 0.00 0.00 0.00 61.98 62.60 3dxj s VAL 849 Cb -0.11 -3.95 -0.27 0.00 0.00 0.00 0.00 36.38 32.05 3dxj s VAL 849 CO 0.21 -0.68 0.77 0.00 0.00 0.00 0.00 175.10 175.41 3dxj h ALA 850 N 12.38 -0.01 -2.50 5.51 0.00 0.52 -1.94 119.26 133.23 3dxj h ALA 850 Ca -0.30 -0.63 -0.11 0.00 0.00 0.00 0.00 54.91 53.88 3dxj h ALA 850 Cb 1.14 0.09 -0.21 0.00 0.00 0.00 0.00 17.79 18.81 3dxj h ALA 850 CO 1.09 0.20 -0.18 0.21 0.00 0.00 0.00 179.25 180.57 3dxj s LYS 851 N -2.31 0.67 -0.25 0.00 2.20 -1.25 -4.89 119.74 113.91 3dxj s LYS 851 Ca -0.18 0.19 -0.08 0.00 -0.36 0.00 0.00 55.97 55.54 3dxj s LYS 851 Cb -0.01 0.31 -0.03 0.00 -1.51 0.00 0.00 37.83 36.59 3dxj s LYS 851 CO 0.73 -0.16 0.09 0.42 -0.36 0.00 0.00 175.35 176.07 3dxj s ILE 852 N -0.69 4.48 0.23 5.43 1.01 -1.26 -1.25 121.20 129.14 3dxj s ILE 852 Ca -0.08 -0.12 0.01 0.00 0.00 0.00 0.00 60.65 60.47 3dxj s ILE 852 Cb -0.04 -3.10 -0.04 0.00 0.01 0.00 0.00 42.46 39.30 3dxj s ILE 852 CO 0.04 0.33 0.40 -0.76 0.00 0.00 0.00 174.94 174.95 3dxj s LEU 853 N 1.57 4.22 -0.18 2.97 1.43 -0.21 -4.87 118.68 123.62 3dxj s LEU 853 Ca 0.06 0.32 -0.29 0.00 -1.03 0.00 0.00 54.13 53.19 3dxj s LEU 853 Cb -0.15 -3.10 -0.00 0.00 0.03 0.00 0.00 46.19 42.96 3dxj s LEU 853 CO 0.05 -0.08 1.09 -2.84 0.23 0.00 0.00 176.35 174.80 3dxj s PRO 854 N -3.60 4.29 0.27 1.29 0.02 -1.26 -0.67 135.00 135.34 3dxj s PRO 854 Ca 0.37 1.45 0.21 0.00 0.02 0.00 0.00 61.00 63.05 3dxj s PRO 854 Cb -0.10 -3.64 0.91 0.00 0.02 0.00 0.00 34.50 31.68 3dxj s PRO 854 CO 0.30 -0.57 0.92 1.55 -0.33 0.00 0.00 177.00 178.87 3dxj n VAL 855 N 5.13 -0.12 0.00 3.83 3.14 -1.26 -2.11 118.33 126.94 3dxj n VAL 855 Ca 0.12 1.02 0.00 0.00 -2.96 0.00 0.00 64.34 62.52 3dxj n VAL 855 Cb 0.46 -1.68 0.00 0.00 -1.06 0.00 0.00 33.84 31.56 3dxj n VAL 855 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 3dxj n GLU 856 N -3.70 0.00 -0.03 1.45 4.71 -1.26 -2.12 120.64 119.69 3dxj n GLU 856 Ca 0.24 0.17 0.23 0.00 -0.01 0.00 0.00 57.16 57.80 3dxj n GLU 856 Cb 0.98 -0.85 0.60 0.00 -1.01 0.00 0.00 31.44 31.16 3dxj n GLU 856 CO 0.00 0.00 0.00 0.38 0.09 0.00 0.00 177.13 177.60 3dxj h ASP 857 N 0.00 0.00 -2.06 1.62 -0.00 -1.53 -3.37 116.42 111.09 3dxj h ASP 857 Ca 0.00 0.00 -0.63 0.00 -0.00 0.00 0.00 57.03 56.40 3dxj h ASP 857 Cb 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 39.33 39.40 3dxj h ASP 857 CO 0.00 0.00 0.47 0.80 -0.00 0.00 0.00 179.24 180.51 3dxj n MET 858 N -3.43 1.48 -1.91 4.15 1.56 -0.90 -1.93 117.12 116.14 3dxj n MET 858 Ca 0.14 0.53 -0.42 0.00 -0.27 0.00 0.00 57.70 57.68 3dxj n MET 858 Cb 1.02 -2.14 -0.03 0.00 2.15 0.00 0.00 33.22 34.22 3dxj n MET 858 CO 0.00 0.00 0.00 -2.14 -0.73 0.00 0.00 175.97 173.10 3dxj s PRO 859 N 0.07 4.20 0.27 2.12 0.02 -1.26 -3.42 135.00 137.00 3dxj s PRO 859 Ca 0.76 2.40 0.02 0.00 0.02 0.00 0.00 61.00 64.20 3dxj s PRO 859 Cb -0.82 -3.12 -0.05 0.00 0.02 0.00 0.00 34.50 30.53 3dxj s PRO 859 CO 0.48 -0.60 0.11 -3.38 -0.33 0.00 0.00 177.00 173.29 3dxj s HIS 860 N 0.85 1.56 0.56 6.54 -3.43 -0.99 -1.45 115.29 118.93 3dxj s HIS 860 Ca 0.68 -1.23 0.04 0.00 -0.80 0.00 0.00 55.06 53.75 3dxj s HIS 860 Cb -0.45 -0.90 0.06 0.00 -1.43 0.00 0.00 32.58 29.87 3dxj s HIS 860 CO 0.35 -0.38 0.78 -0.51 -2.00 0.00 0.00 174.74 172.98 3dxj s LEU 861 N -3.34 3.26 0.30 5.38 1.43 0.20 -1.00 118.68 124.92 3dxj s LEU 861 Ca 0.37 -0.32 0.05 0.00 -1.03 0.00 0.00 54.13 53.20 3dxj s LEU 861 Cb 0.07 -2.42 0.76 0.00 0.03 0.00 0.00 46.19 44.63 3dxj s LEU 861 CO 0.15 -1.25 1.70 1.55 0.23 0.00 0.00 176.35 178.73 3dxj h PRO 862 N 0.08 0.43 -1.44 1.29 0.13 -1.90 0.25 132.00 130.84 3dxj h PRO 862 Ca -0.38 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 3dxj h PRO 862 Cb 1.29 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3dxj h PRO 862 CO 0.46 0.28 0.00 -0.40 -0.23 0.00 0.00 178.00 178.11 3dxj n ASP 863 N -5.01 1.93 -1.53 1.44 5.75 -1.26 -4.75 116.55 113.12 3dxj n ASP 863 Ca 0.23 -1.26 -0.07 0.00 -0.01 0.00 0.00 54.79 53.68 3dxj n ASP 863 Cb 0.67 -0.33 -0.02 0.00 -1.03 0.00 0.00 41.12 40.41 3dxj n ASP 863 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3dxj n GLY 864 N 0.77 0.36 3.67 6.12 0.00 0.87 -4.92 105.19 112.06 3dxj n GLY 864 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3dxj n GLY 864 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dxj s THR 865 N -1.79 5.28 0.28 2.61 -4.23 -1.23 -4.83 115.64 111.73 3dxj s THR 865 Ca 0.00 0.47 -0.13 0.00 -1.18 0.00 0.00 61.69 60.86 3dxj s THR 865 Cb 0.00 -3.62 -0.08 0.00 1.34 0.00 0.00 72.50 70.13 3dxj s THR 865 CO 0.00 0.31 0.65 -2.16 -0.54 0.00 0.00 174.62 172.88 3dxj s PRO 866 N 1.10 3.92 0.22 3.99 0.04 -1.26 -0.63 135.00 142.38 3dxj s PRO 866 Ca 0.14 0.50 -0.04 0.00 0.04 0.00 0.00 61.00 61.64 3dxj s PRO 866 Cb -0.14 -2.53 0.05 0.00 0.04 0.00 0.00 34.50 31.92 3dxj s PRO 866 CO 0.06 0.23 0.30 1.33 0.04 0.00 0.00 177.00 178.95 3dxj n VAL 867 N -0.26 0.00 -0.02 -0.36 0.24 -0.53 -4.94 118.33 112.47 3dxj n VAL 867 Ca 0.02 -0.22 -0.02 0.00 -2.04 0.00 0.00 64.34 62.09 3dxj n VAL 867 Cb 0.53 -1.86 -0.04 0.00 -1.47 0.00 0.00 33.84 31.00 3dxj n VAL 867 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3dxj n ASP 868 N -3.20 3.73 -3.90 -1.34 8.00 0.44 -4.76 116.55 115.52 3dxj n ASP 868 Ca 0.04 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.43 3dxj n ASP 868 Cb 0.13 0.70 -0.13 0.00 -0.02 0.00 0.00 41.12 41.80 3dxj n ASP 868 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3dxj s VAL 869 N -2.15 0.04 -0.21 2.53 0.11 0.98 0.21 120.40 121.90 3dxj s VAL 869 Ca -0.02 -0.30 -0.04 0.00 -2.93 0.00 0.00 61.98 58.68 3dxj s VAL 869 Cb 0.02 -0.13 -0.01 0.00 -1.53 0.00 0.00 36.38 34.72 3dxj s VAL 869 CO 0.21 -0.17 -0.03 -0.63 -3.33 0.00 0.00 175.10 171.16 3dxj s ILE 870 N -0.49 3.59 -0.24 7.04 1.01 -1.16 -0.86 121.20 130.09 3dxj s ILE 870 Ca -0.05 -0.43 -0.04 0.00 0.00 0.00 0.00 60.65 60.13 3dxj s ILE 870 Cb -0.03 -2.63 -0.00 0.00 0.01 0.00 0.00 42.46 39.80 3dxj s ILE 870 CO -0.00 0.42 -0.02 -0.76 0.00 0.00 0.00 174.94 174.59 3dxj s LEU 871 N 1.28 3.14 0.32 2.97 1.43 -0.09 -3.80 118.68 123.92 3dxj s LEU 871 Ca 0.04 -0.50 -0.29 0.00 -1.03 0.00 0.00 54.13 52.34 3dxj s LEU 871 Cb -0.14 -1.77 -0.11 0.00 0.03 0.00 0.00 46.19 44.20 3dxj s LEU 871 CO -0.01 -0.07 1.46 0.21 0.23 0.00 0.00 176.35 178.18 3dxj s ASN 872 N 1.47 6.52 0.14 2.29 3.84 -1.25 0.15 114.94 128.11 3dxj s ASN 872 Ca 0.04 2.86 0.08 0.00 0.21 0.00 0.00 52.86 56.05 3dxj s ASN 872 Cb -0.15 -2.65 -0.15 0.00 -0.55 0.00 0.00 41.25 37.75 3dxj s ASN 872 CO -0.02 -0.77 1.32 -0.65 -2.79 0.00 0.00 177.10 174.19 3dxj h PRO 873 N 4.03 0.00 -0.97 0.43 0.11 -1.89 -3.35 132.00 130.36 3dxj h PRO 873 Ca -0.48 0.00 0.29 0.00 0.11 0.00 0.00 66.00 65.91 3dxj h PRO 873 Cb 1.23 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.19 3dxj h PRO 873 CO 0.71 0.95 0.48 -0.07 -0.21 0.00 0.00 178.00 179.86 3dxj h LEU 874 N 0.00 0.40 -1.80 2.35 3.38 -1.97 -1.20 115.31 116.47 3dxj h LEU 874 Ca -0.01 0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3dxj h LEU 874 Cb 1.70 0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.60 3dxj h LEU 874 CO 0.12 -0.11 0.00 0.61 0.09 0.00 0.00 178.44 179.16 3dxj n GLY 875 N -1.32 0.71 1.27 0.83 0.00 -1.26 -3.35 105.19 102.08 3dxj n GLY 875 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 3dxj n GLY 875 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3dxj n VAL 876 N 0.71 0.77 -0.14 1.61 0.31 -0.45 -4.54 118.33 116.60 3dxj n VAL 876 Ca 0.00 0.26 -0.07 0.00 -0.01 0.00 0.00 64.34 64.51 3dxj n VAL 876 Cb 0.17 -1.32 -0.06 0.00 -0.91 0.00 0.00 33.84 31.72 3dxj n VAL 876 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 3dxj h PRO 877 N 0.00 -0.14 0.00 5.55 0.13 -1.71 2.99 132.00 138.82 3dxj h PRO 877 Ca 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 3dxj h PRO 877 Cb 0.14 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.30 3dxj h PRO 877 CO 0.00 -0.09 0.01 -1.13 -0.23 0.00 0.00 178.00 176.56 3dxj n SER 878 N -4.27 0.00 -0.00 1.44 3.41 -1.26 -1.09 113.62 111.86 3dxj n SER 878 Ca -0.01 0.21 0.03 0.00 -0.26 0.00 0.00 58.87 58.84 3dxj n SER 878 Cb 0.18 -0.21 -0.05 0.00 -0.26 0.00 0.00 64.21 63.86 3dxj n SER 878 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3dxj n ARG 879 N -1.20 0.32 -3.88 4.33 3.00 0.61 -5.01 116.66 114.84 3dxj n ARG 879 Ca 0.00 -0.06 -0.30 0.00 -0.01 0.00 0.00 57.85 57.48 3dxj n ARG 879 Cb 0.01 -1.16 -0.03 0.00 0.00 0.00 0.00 32.46 31.28 3dxj n ARG 879 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.63 176.30 3dxj n MET 880 N -1.76 -2.62 -2.55 5.56 2.81 0.86 -4.50 117.12 114.92 3dxj n MET 880 Ca -0.02 0.31 -0.38 0.00 -1.81 0.00 0.00 57.70 55.80 3dxj n MET 880 Cb 0.20 -4.98 0.01 0.00 -0.71 0.00 0.00 33.22 27.75 3dxj n MET 880 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 3dxj n ASN 881 N -2.38 6.82 -0.11 7.83 2.04 -1.25 -2.51 115.26 125.70 3dxj n ASN 881 Ca 0.05 -3.72 -0.05 0.00 -0.44 0.00 0.00 54.58 50.42 3dxj n ASN 881 Cb 0.50 -1.02 0.01 0.00 -2.53 0.00 0.00 39.78 36.73 3dxj n ASN 881 CO 0.00 0.00 0.00 -0.07 -0.44 0.00 0.00 177.26 176.75 3dxj h LEU 882 N 3.71 -0.37 0.00 -4.53 3.38 -1.88 -3.24 115.31 112.37 3dxj h LEU 882 Ca 0.47 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.55 3dxj h LEU 882 Cb 0.32 0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3dxj h LEU 882 CO 1.16 -0.13 0.00 0.61 0.09 0.00 0.00 178.44 180.16 3dxj n GLY 883 N -1.30 0.00 0.29 0.83 0.00 -1.25 0.31 105.19 104.07 3dxj n GLY 883 Ca 0.02 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.05 3dxj n GLY 883 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 3dxj h GLN 884 N 0.00 -0.01 -0.36 1.61 3.07 -1.87 -0.63 115.11 116.92 3dxj h GLN 884 Ca 0.00 0.00 0.03 0.00 0.09 0.00 0.00 58.65 58.77 3dxj h GLN 884 Cb 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 27.52 3dxj h GLN 884 CO 0.00 -0.00 -0.23 0.82 0.09 0.00 0.00 178.83 179.50 3dxj h ILE 885 N -0.01 0.00 -0.32 1.86 1.08 0.46 0.22 117.51 120.81 3dxj h ILE 885 Ca 0.37 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.91 3dxj h ILE 885 Cb 0.57 0.00 -0.08 0.00 -3.07 0.00 0.00 36.82 34.24 3dxj h ILE 885 CO -0.80 0.00 -0.19 -0.07 -0.69 0.00 0.00 178.15 176.40 3dxj h LEU 886 N -0.03 -0.63 -0.99 1.44 3.38 -1.24 0.14 115.31 117.39 3dxj h LEU 886 Ca 0.06 0.14 0.32 0.00 0.09 0.00 0.00 57.88 58.48 3dxj h LEU 886 Cb 0.18 0.33 -0.15 0.00 0.09 0.00 0.00 40.66 41.10 3dxj h LEU 886 CO -0.35 -0.22 0.51 -0.08 0.09 0.00 0.00 178.44 178.39 3dxj h GLU 887 N -0.15 0.27 -0.00 1.13 4.81 0.49 0.26 114.58 121.40 3dxj h GLU 887 Ca 0.17 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.38 3dxj h GLU 887 Cb 0.40 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.72 3dxj h GLU 887 CO -0.41 0.18 -0.00 1.15 -0.73 0.00 0.00 179.01 179.20 3dxj h THR 888 N 0.28 1.49 -0.40 0.32 2.02 0.18 0.30 112.91 117.11 3dxj h THR 888 Ca 0.72 -1.44 0.04 0.00 0.77 0.00 0.00 66.41 66.50 3dxj h THR 888 Cb 1.63 2.46 -0.07 0.00 -1.74 0.00 0.00 68.15 70.44 3dxj h THR 888 CO -0.63 0.37 -0.43 0.45 0.37 0.00 0.00 175.52 175.65 3dxj h HIS 889 N -0.61 -1.33 -0.77 3.16 3.86 0.17 0.73 115.15 120.36 3dxj h HIS 889 Ca -0.00 0.07 -0.01 0.00 -1.16 0.00 0.00 60.37 59.27 3dxj h HIS 889 Cb 0.61 0.63 -0.04 0.00 1.06 0.00 0.00 27.41 29.68 3dxj h HIS 889 CO 0.14 -0.36 0.45 1.25 0.86 0.00 0.00 177.93 180.27 3dxj h LEU 890 N -0.25 0.93 -1.93 2.43 5.85 -0.91 -0.46 115.31 120.96 3dxj h LEU 890 Ca 0.07 -0.06 0.17 0.00 0.84 0.00 0.00 57.88 58.90 3dxj h LEU 890 Cb 0.43 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 3dxj h LEU 890 CO -0.50 0.72 0.54 1.23 -0.34 0.00 0.00 178.44 180.08 3dxj h GLY 891 N 1.09 0.00 0.60 3.75 0.00 0.40 -1.13 103.07 107.78 3dxj h GLY 891 Ca 0.27 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.48 3dxj h GLY 891 CO -0.05 0.00 -0.53 -2.00 0.00 0.00 0.00 176.54 173.96 3dxj h LEU 892 N 0.00 0.39 0.02 3.11 5.85 0.19 -3.02 115.31 121.84 3dxj h LEU 892 Ca 0.28 -0.85 -0.00 0.00 0.84 0.00 0.00 57.88 58.14 3dxj h LEU 892 Cb 1.35 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 42.25 3dxj h LEU 892 CO -0.00 1.19 -0.01 0.00 -0.34 0.00 0.00 178.44 179.28 3dxj h ALA 893 N 0.20 -0.87 -0.95 1.25 0.00 -1.15 -2.33 119.26 115.40 3dxj h ALA 893 Ca -0.08 -0.01 0.28 0.00 0.00 0.00 0.00 54.91 55.10 3dxj h ALA 893 Cb 1.32 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 19.22 3dxj h ALA 893 CO 0.10 -0.87 0.98 0.78 0.00 0.00 0.00 179.25 180.25 3dxj h GLY 894 N -0.03 0.00 0.36 0.00 0.00 -1.71 0.79 103.07 102.49 3dxj h GLY 894 Ca -0.00 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.35 3dxj h GLY 894 CO 0.00 0.00 -0.32 -1.82 0.00 0.00 0.00 176.54 174.40 3dxj h TYR 895 N 0.00 -0.89 0.23 5.60 3.20 -1.42 0.67 116.97 124.37 3dxj h TYR 895 Ca 0.45 0.02 -0.34 0.00 3.14 0.00 0.00 58.73 62.01 3dxj h TYR 895 Cb 2.41 0.38 0.03 0.00 1.54 0.00 0.00 36.73 41.09 3dxj h TYR 895 CO 0.00 -0.42 -1.58 0.74 -1.64 0.00 0.00 178.16 175.26 3dxj h PHE 896 N -0.51 0.88 0.00 -3.82 -1.00 -0.16 -3.10 116.94 109.24 3dxj h PHE 896 Ca 0.05 -0.64 0.00 0.00 2.81 0.00 0.00 57.97 60.18 3dxj h PHE 896 Cb 0.57 -0.04 0.00 0.00 3.61 0.00 0.00 35.95 40.10 3dxj h PHE 896 CO -0.32 1.60 0.00 1.28 -1.61 0.00 0.00 178.31 179.26 3dxj n LEU 897 N -3.67 0.00 -3.77 1.54 4.77 0.23 -4.81 117.00 111.29 3dxj n LEU 897 Ca -0.19 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.55 3dxj n LEU 897 Cb 1.09 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 42.15 3dxj n LEU 897 CO 0.57 0.00 -0.22 0.61 -1.33 0.00 0.00 177.39 177.02 3dxj n GLY 898 N -0.17 -0.26 3.58 -0.72 0.00 0.21 -4.85 105.19 102.98 3dxj n GLY 898 Ca 0.00 0.15 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 3dxj n GLY 898 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3dxj s GLN 899 N -6.10 1.97 0.19 1.61 -2.07 0.41 -4.20 119.66 111.47 3dxj s GLN 899 Ca 0.13 -1.65 0.04 0.00 -1.82 0.00 0.00 55.36 52.06 3dxj s GLN 899 Cb -0.07 0.49 -0.05 0.00 -1.09 0.00 0.00 33.01 32.29 3dxj s GLN 899 CO 0.62 -0.85 -0.07 1.03 -1.32 0.00 0.00 175.29 174.71 3dxj s ARG 900 N -2.93 1.19 0.19 9.60 0.52 -1.00 -4.43 118.95 122.10 3dxj s ARG 900 Ca 0.26 -1.55 0.05 0.00 -0.52 0.00 0.00 55.73 53.97 3dxj s ARG 900 Cb -0.02 -0.66 -0.05 0.00 0.52 0.00 0.00 34.95 34.74 3dxj s ARG 900 CO 0.17 0.02 -0.08 0.71 0.02 0.00 0.00 175.30 176.14 3dxj s TYR 901 N -3.33 1.48 -0.40 -0.53 1.51 0.78 -1.71 117.35 115.15 3dxj s TYR 901 Ca 0.22 -0.76 0.01 0.00 -1.01 0.00 0.00 57.07 55.53 3dxj s TYR 901 Cb 0.04 -0.78 0.13 0.00 -0.11 0.00 0.00 41.96 41.23 3dxj s TYR 901 CO 0.04 0.12 0.20 0.42 -1.11 0.00 0.00 175.55 175.22 3dxj s ILE 902 N -3.26 1.29 -0.28 2.71 1.01 0.62 -0.13 121.20 123.16 3dxj s ILE 902 Ca 0.22 -2.27 -0.13 0.00 0.00 0.00 0.00 60.65 58.47 3dxj s ILE 902 Cb 0.03 -1.92 -0.04 0.00 0.01 0.00 0.00 42.46 40.54 3dxj s ILE 902 CO 0.05 -0.84 0.30 -0.55 0.00 0.00 0.00 174.94 173.90 3dxj s SER 903 N 0.67 6.15 0.98 3.58 0.15 0.08 -0.85 113.70 124.47 3dxj s SER 903 Ca 0.16 0.12 -0.11 0.00 0.70 0.00 0.00 55.95 56.81 3dxj s SER 903 Cb -0.23 -2.17 0.18 0.00 -1.71 0.00 0.00 66.02 62.09 3dxj s SER 903 CO -0.05 -0.14 1.09 -2.84 1.20 0.00 0.00 173.24 172.49 3dxj s PRO 904 N 1.93 0.53 0.16 5.44 0.02 -1.25 -3.88 135.00 137.95 3dxj s PRO 904 Ca 0.11 1.08 -0.26 0.00 0.02 0.00 0.00 61.00 61.95 3dxj s PRO 904 Cb -0.16 -1.71 -0.08 0.00 0.02 0.00 0.00 34.50 32.58 3dxj s PRO 904 CO 0.10 -2.81 0.79 -1.50 -0.33 0.00 0.00 177.00 173.26 3dxj s ILE 905 N -2.69 4.37 -1.33 2.83 2.07 -1.26 -3.03 121.20 122.16 3dxj s ILE 905 Ca 0.66 1.74 0.00 0.00 -1.41 0.00 0.00 60.65 61.64 3dxj s ILE 905 Cb -0.22 -4.16 0.00 0.00 0.13 0.00 0.00 42.46 38.22 3dxj s ILE 905 CO 0.60 0.50 0.00 0.49 -1.91 0.00 0.00 174.94 174.62 3dxj n PHE 906 N 1.71 -0.75 -1.08 3.50 3.01 -1.26 -4.74 117.46 117.86 3dxj n PHE 906 Ca -0.05 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.41 3dxj n PHE 906 Cb 0.49 -2.74 0.00 0.00 -0.01 0.00 0.00 39.48 37.22 3dxj n PHE 906 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 3dxj n ASP 907 N -1.05 0.47 -0.01 4.37 -0.08 -1.17 -5.05 116.55 114.04 3dxj n ASP 907 Ca -0.15 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.13 3dxj n ASP 907 Cb 0.51 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.97 3dxj n ASP 907 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3dxj n GLY 908 N 0.00 0.67 1.58 0.27 0.00 -1.22 -4.41 105.19 102.08 3dxj n GLY 908 Ca 0.00 -0.88 -0.19 0.00 0.00 0.00 0.00 46.02 44.95 3dxj n GLY 908 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dxj n ALA 909 N 1.99 -3.74 -3.66 4.61 0.00 -1.26 -4.49 120.51 113.95 3dxj n ALA 909 Ca 0.00 -0.29 -0.07 0.00 0.00 0.00 0.00 53.44 53.07 3dxj n ALA 909 Cb 0.00 -0.62 -0.08 0.00 0.00 0.00 0.00 19.45 18.75 3dxj n ALA 909 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 3dxj s LYS 910 N -0.94 0.56 0.00 0.00 -2.85 -1.26 -5.05 119.74 110.19 3dxj s LYS 910 Ca 0.22 1.11 0.00 0.00 -1.00 0.00 0.00 55.97 56.31 3dxj s LYS 910 Cb -0.12 0.22 0.00 0.00 -2.06 0.00 0.00 37.83 35.87 3dxj s LYS 910 CO 0.41 -0.17 0.00 0.39 0.10 0.00 0.00 175.35 176.08 3dxj n GLU 911 N 4.59 0.00 0.27 1.78 1.02 -1.26 0.59 120.64 127.63 3dxj n GLU 911 Ca -0.19 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 56.81 3dxj n GLU 911 Cb 0.55 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.90 3dxj n GLU 911 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 3dxj h PRO 912 N 0.00 -0.81 -0.81 3.49 0.11 -1.97 1.11 132.00 133.12 3dxj h PRO 912 Ca 0.00 0.06 0.19 0.00 0.11 0.00 0.00 66.00 66.35 3dxj h PRO 912 Cb 0.00 0.18 -0.15 0.00 0.11 0.00 0.00 31.00 31.15 3dxj h PRO 912 CO 0.00 -0.54 -0.03 0.93 -0.21 0.00 0.00 178.00 178.16 3dxj h GLU 913 N -0.84 0.07 0.53 1.05 5.08 -0.27 1.12 114.58 121.32 3dxj h GLU 913 Ca -0.06 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 3dxj h GLU 913 Cb 0.70 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.94 3dxj h GLU 913 CO 0.01 0.05 -0.25 0.82 -1.00 0.00 0.00 179.01 178.63 3dxj h ILE 914 N 0.07 0.00 -1.77 3.13 5.03 -1.20 -1.21 117.51 121.57 3dxj h ILE 914 Ca 0.44 -0.21 0.51 0.00 -0.12 0.00 0.00 64.86 65.49 3dxj h ILE 914 Cb 0.79 0.00 -0.07 0.00 -3.03 0.00 0.00 36.82 34.51 3dxj h ILE 914 CO -0.74 0.00 1.32 0.29 -0.68 0.00 0.00 178.15 178.34 3dxj n LYS 915 N -4.48 0.00 0.00 2.37 4.76 0.38 0.13 118.16 121.32 3dxj n LYS 915 Ca -0.09 1.01 0.00 0.00 -2.87 0.00 0.00 58.31 56.36 3dxj n LYS 915 Cb 0.28 -2.34 0.00 0.00 -1.84 0.00 0.00 35.03 31.12 3dxj n LYS 915 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 3dxj n GLU 916 N -3.72 0.00 -0.32 1.97 0.00 0.37 -3.69 120.64 115.25 3dxj n GLU 916 Ca 0.40 0.36 0.17 0.00 0.00 0.00 0.00 57.16 58.09 3dxj n GLU 916 Cb 1.85 -1.10 0.33 0.00 0.00 0.00 0.00 31.44 32.53 3dxj n GLU 916 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3dxj n LEU 917 N -1.59 -0.02 -0.16 4.31 4.77 0.12 0.34 117.00 124.78 3dxj n LEU 917 Ca 0.00 1.57 -0.06 0.00 -0.03 0.00 0.00 56.01 57.49 3dxj n LEU 917 Cb 0.00 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 40.48 3dxj n LEU 917 CO 0.00 -1.63 0.64 -0.07 -1.33 0.00 0.00 177.39 175.00 3dxj h LEU 918 N 0.00 -1.08 -0.82 2.23 3.38 -1.53 0.95 115.31 118.44 3dxj h LEU 918 Ca 0.61 0.21 0.16 0.00 0.09 0.00 0.00 57.88 58.95 3dxj h LEU 918 Cb 1.37 0.53 -0.15 0.00 0.09 0.00 0.00 40.66 42.49 3dxj h LEU 918 CO -0.84 -0.30 -0.25 0.00 0.09 0.00 0.00 178.44 177.14 3dxj h ALA 919 N 0.93 0.43 0.31 1.53 0.00 -0.19 1.52 119.26 123.79 3dxj h ALA 919 Ca 0.21 0.30 -0.01 0.00 0.00 0.00 0.00 54.91 55.41 3dxj h ALA 919 Cb 0.54 0.70 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 3dxj h ALA 919 CO -0.61 -0.46 -0.31 1.96 0.00 0.00 0.00 179.25 179.83 3dxj h GLN 920 N -0.02 -0.60 -0.88 0.00 4.20 -0.86 -2.32 115.11 114.62 3dxj h GLN 920 Ca 0.37 0.04 0.24 0.00 0.06 0.00 0.00 58.65 59.36 3dxj h GLN 920 Cb 0.60 0.14 -0.15 0.00 0.30 0.00 0.00 27.48 28.37 3dxj h GLN 920 CO -0.85 -0.40 0.18 0.00 -0.67 0.00 0.00 178.83 177.09 3dxj h ALA 921 N -1.25 1.22 -1.25 3.87 0.00 1.00 0.65 119.26 123.50 3dxj h ALA 921 Ca -0.04 0.25 0.36 0.00 0.00 0.00 0.00 54.91 55.48 3dxj h ALA 921 Cb 0.54 0.38 -0.08 0.00 0.00 0.00 0.00 17.79 18.62 3dxj h ALA 921 CO -0.03 -0.50 0.85 0.35 0.00 0.00 0.00 179.25 179.92 3dxj h PHE 922 N 0.15 0.33 0.92 0.00 3.57 0.26 0.43 116.94 122.60 3dxj h PHE 922 Ca 0.55 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 62.02 3dxj h PHE 922 Cb 1.12 -0.09 0.01 0.00 2.79 0.00 0.00 35.95 39.78 3dxj h PHE 922 CO -0.32 -0.03 -0.44 0.93 -2.23 0.00 0.00 178.31 176.22 3dxj h GLU 923 N 0.14 -1.19 0.00 1.11 4.39 0.45 1.02 114.58 120.49 3dxj h GLU 923 Ca 0.67 0.08 0.00 0.00 0.34 0.00 0.00 59.36 60.45 3dxj h GLU 923 Cb 2.25 0.27 0.00 0.00 -0.10 0.00 0.00 28.75 31.17 3dxj h GLU 923 CO -0.19 -0.80 0.00 0.28 -1.16 0.00 0.00 179.01 177.14 3dxj n VAL 924 N -5.41 0.00 -0.26 3.13 0.31 0.13 0.22 118.33 116.45 3dxj n VAL 924 Ca -0.15 1.44 -0.10 0.00 -0.01 0.00 0.00 64.34 65.52 3dxj n VAL 924 Cb 0.49 -2.17 -0.08 0.00 -0.91 0.00 0.00 33.84 31.17 3dxj n VAL 924 CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 3dxj h TYR 925 N 0.00 -1.49 0.00 3.52 3.20 -1.00 -3.32 116.97 117.88 3dxj h TYR 925 Ca 0.00 0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.96 3dxj h TYR 925 Cb 0.00 0.73 0.00 0.00 1.54 0.00 0.00 36.73 39.00 3dxj h TYR 925 CO -0.36 -0.34 0.00 0.34 -1.64 0.00 0.00 178.16 176.17 3dxj n PHE 926 N -4.85 0.00 0.00 -3.82 7.35 0.35 -4.59 117.46 111.90 3dxj n PHE 926 Ca -0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 3dxj n PHE 926 Cb 0.24 -0.17 0.00 0.00 0.35 0.00 0.00 39.48 39.90 3dxj n PHE 926 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3dxj n GLY 927 N 2.08 0.00 0.30 7.13 0.00 0.60 0.13 105.19 115.42 3dxj n GLY 927 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 3dxj n GLY 927 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3dxj h LYS 928 N 0.00 -0.08 0.00 1.61 3.64 -1.61 -3.15 116.57 116.98 3dxj h LYS 928 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3dxj h LYS 928 Cb 0.00 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 3dxj h LYS 928 CO 0.00 -0.05 0.00 0.54 -2.27 0.00 0.00 179.45 177.67 3dxj n ARG 929 N -5.45 0.00 -0.14 1.90 5.12 0.34 0.25 116.66 118.68 3dxj n ARG 929 Ca 0.06 0.00 -0.12 0.00 -1.93 0.00 0.00 57.85 55.86 3dxj n ARG 929 Cb 0.35 0.00 -0.01 0.00 -1.16 0.00 0.00 32.46 31.64 3dxj n ARG 929 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 3dxj h LYS 930 N 0.00 0.93 0.00 5.56 1.79 -1.49 -1.69 116.57 121.66 3dxj h LYS 930 Ca 0.00 -0.42 0.00 0.00 -2.18 0.00 0.00 60.65 58.05 3dxj h LYS 930 Cb 0.00 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.63 3dxj h LYS 930 CO 0.00 1.08 0.00 0.41 -1.08 0.00 0.00 179.45 179.86 3dxj n GLY 931 N -0.05 -0.02 0.00 3.86 0.00 0.69 0.18 105.19 109.85 3dxj n GLY 931 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3dxj n GLY 931 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dxj n GLU 932 N -0.64 1.65 -2.96 1.61 1.02 -0.96 -4.97 120.64 115.39 3dxj n GLU 932 Ca 0.00 -1.07 -0.13 0.00 -0.02 0.00 0.00 57.16 55.94 3dxj n GLU 932 Cb 0.00 -0.87 0.04 0.00 -0.02 0.00 0.00 31.44 30.59 3dxj n GLU 932 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dxj n GLY 933 N -0.30 0.09 3.20 0.62 0.00 0.48 -5.02 105.19 104.26 3dxj n GLY 933 Ca 0.00 -0.20 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 3dxj n GLY 933 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3dxj s PHE 934 N -3.08 2.22 0.00 1.61 2.99 -0.68 -5.00 117.98 116.04 3dxj s PHE 934 Ca 0.27 -0.75 0.00 0.00 0.00 0.00 0.00 56.93 56.45 3dxj s PHE 934 Cb -0.12 -1.48 0.00 0.00 0.00 0.00 0.00 43.02 41.42 3dxj s PHE 934 CO 0.34 -0.27 0.00 0.41 -0.00 0.00 0.00 175.22 175.69 3dxj n GLY 935 N 3.24 2.76 3.76 4.36 0.00 -1.26 -3.05 105.19 115.00 3dxj n GLY 935 Ca -0.19 -1.76 -0.35 0.00 0.00 0.00 0.00 46.02 43.72 3dxj n GLY 935 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3dxj s VAL 936 N 4.16 5.29 0.17 1.61 -7.23 -1.26 -4.96 120.40 118.17 3dxj s VAL 936 Ca 0.00 0.14 -0.32 0.00 -1.81 0.00 0.00 61.98 59.99 3dxj s VAL 936 Cb 0.00 -3.37 -0.12 0.00 0.56 0.00 0.00 36.38 33.45 3dxj s VAL 936 CO 0.00 0.50 1.74 -0.67 -0.31 0.00 0.00 175.10 176.37 3dxj n ASP 937 N 3.01 3.86 -0.27 4.85 2.03 -1.26 -4.85 116.55 123.92 3dxj n ASP 937 Ca -0.17 1.04 0.06 0.00 0.52 0.00 0.00 54.79 56.24 3dxj n ASP 937 Cb 0.53 -1.54 0.17 0.00 -0.72 0.00 0.00 41.12 39.56 3dxj n ASP 937 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 3dxj h LYS 938 N 7.28 0.08 -1.00 -0.67 3.64 -2.01 0.83 116.57 124.72 3dxj h LYS 938 Ca -0.45 -0.00 0.04 0.00 -1.27 0.00 0.00 60.65 58.97 3dxj h LYS 938 Cb 1.22 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.96 3dxj h LYS 938 CO 0.94 0.05 0.65 0.00 -2.27 0.00 0.00 179.45 178.83 3dxj h ARG 939 N 0.08 1.22 -0.81 1.90 2.47 -2.00 -0.58 114.38 116.66 3dxj h ARG 939 Ca 0.44 -0.07 0.19 0.00 -1.26 0.00 0.00 59.98 59.27 3dxj h ARG 939 Cb 0.79 -0.28 -0.12 0.00 -1.65 0.00 0.00 29.97 28.71 3dxj h ARG 939 CO -0.73 0.81 0.26 0.93 0.56 0.00 0.00 179.97 181.80 3dxj h GLU 940 N 1.26 0.31 0.24 0.04 5.08 0.34 0.22 114.58 122.06 3dxj h GLU 940 Ca 0.40 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.74 3dxj h GLU 940 Cb 0.02 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 3dxj h GLU 940 CO -0.13 0.21 -0.36 0.28 -1.00 0.00 0.00 179.01 178.00 3dxj h VAL 941 N 0.32 0.00 -0.26 3.13 2.07 -0.71 -2.23 116.25 118.57 3dxj h VAL 941 Ca 0.48 0.00 0.02 0.00 0.82 0.00 0.00 66.70 68.02 3dxj h VAL 941 Cb 0.86 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 3dxj h VAL 941 CO -0.53 0.00 -0.15 1.21 0.02 0.00 0.00 177.57 178.12 3dxj n GLU 942 N -4.56 -0.12 0.00 1.57 2.13 0.72 -0.87 120.64 119.51 3dxj n GLU 942 Ca -0.07 0.50 0.00 0.00 0.66 0.00 0.00 57.16 58.25 3dxj n GLU 942 Cb 0.31 -0.75 0.00 0.00 0.27 0.00 0.00 31.44 31.27 3dxj n GLU 942 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3dxj n VAL 943 N -3.85 0.00 -0.20 6.31 0.31 -0.80 -2.97 118.33 117.12 3dxj n VAL 943 Ca 0.01 1.48 0.02 0.00 -0.01 0.00 0.00 64.34 65.84 3dxj n VAL 943 Cb 0.07 -2.31 0.06 0.00 -0.91 0.00 0.00 33.84 30.74 3dxj n VAL 943 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3dxj n LEU 944 N -2.27 -0.25 -0.19 7.52 4.77 -0.05 0.27 117.00 126.80 3dxj n LEU 944 Ca 0.00 0.95 -0.05 0.00 -0.03 0.00 0.00 56.01 56.89 3dxj n LEU 944 Cb 0.00 -0.26 0.02 0.00 -2.33 0.00 0.00 43.42 40.84 3dxj n LEU 944 CO 0.00 -0.90 0.66 -0.09 -1.33 0.00 0.00 177.39 175.73 3dxj h ARG 945 N 0.00 -0.14 -0.10 3.23 2.43 -1.26 0.22 114.38 118.76 3dxj h ARG 945 Ca 0.24 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.42 3dxj h ARG 945 Cb 0.38 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.96 3dxj h ARG 945 CO -0.56 -0.09 0.04 -0.09 -1.51 0.00 0.00 179.97 177.76 3dxj h ARG 946 N -0.15 0.14 -0.92 0.20 2.43 0.39 -3.21 114.38 113.26 3dxj h ARG 946 Ca 0.24 -0.02 0.20 0.00 -0.81 0.00 0.00 59.98 59.59 3dxj h ARG 946 Cb 0.53 -0.02 -0.17 0.00 -0.42 0.00 0.00 29.97 29.88 3dxj h ARG 946 CO -0.64 0.22 -0.14 0.00 -1.51 0.00 0.00 179.97 177.90 3dxj h ALA 947 N 0.91 0.76 0.00 2.80 0.00 0.27 0.18 119.26 124.18 3dxj h ALA 947 Ca 0.03 0.34 -0.07 0.00 0.00 0.00 0.00 54.91 55.21 3dxj h ALA 947 Cb 0.13 0.64 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 3dxj h ALA 947 CO -0.00 -0.44 -0.35 1.05 0.00 0.00 0.00 179.25 179.51 3dxj h GLU 948 N 0.01 0.00 0.00 0.00 4.11 -1.23 -2.00 114.58 115.47 3dxj h GLU 948 Ca 0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.91 3dxj h GLU 948 Cb 0.81 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.06 3dxj h GLU 948 CO -0.91 0.35 0.00 0.87 0.07 0.00 0.00 179.01 179.39 3dxj h LYS 949 N 0.00 0.00 -0.55 1.06 1.57 -0.68 0.46 116.57 118.43 3dxj h LYS 949 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3dxj h LYS 949 Cb 0.76 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.07 3dxj h LYS 949 CO 0.05 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.21 3dxj n LEU 950 N -2.44 5.07 -1.33 2.94 4.77 -0.77 -4.91 117.00 120.34 3dxj n LEU 950 Ca -0.01 -2.74 -0.13 0.00 -0.03 0.00 0.00 56.01 53.10 3dxj n LEU 950 Cb 0.11 -0.62 -0.06 0.00 -2.33 0.00 0.00 43.42 40.53 3dxj n LEU 950 CO 0.15 0.71 -0.13 0.61 -1.33 0.00 0.00 177.39 177.40 3dxj n GLY 951 N 0.65 1.26 0.07 -0.72 0.00 0.16 -4.77 105.19 101.84 3dxj n GLY 951 Ca 0.26 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.14 3dxj n GLY 951 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3dxj h LEU 952 N 0.00 0.07 -9.44 0.99 3.38 -1.69 -3.45 115.31 105.18 3dxj h LEU 952 Ca -0.27 -0.61 -0.63 0.00 0.09 0.00 0.00 57.88 56.45 3dxj h LEU 952 Cb 0.90 -0.02 -0.12 0.00 0.09 0.00 0.00 40.66 41.50 3dxj h LEU 952 CO 0.40 0.67 -0.68 0.68 0.09 0.00 0.00 178.44 179.60 3dxj s VAL 953 N -3.75 3.73 -0.53 1.22 -7.23 -1.25 -4.77 120.40 107.81 3dxj s VAL 953 Ca -0.16 -1.25 -0.26 0.00 -1.81 0.00 0.00 61.98 58.49 3dxj s VAL 953 Cb 0.01 -2.81 0.03 0.00 0.56 0.00 0.00 36.38 34.17 3dxj s VAL 953 CO 0.70 0.02 1.05 0.42 -0.31 0.00 0.00 175.10 176.97 3dxj s THR 954 N -1.47 4.25 1.00 5.32 -4.23 -1.26 -4.58 115.64 114.66 3dxj s THR 954 Ca 0.25 0.71 -0.19 0.00 -1.18 0.00 0.00 61.69 61.29 3dxj s THR 954 Cb -0.10 -4.60 -0.14 0.00 1.34 0.00 0.00 72.50 69.00 3dxj s THR 954 CO 0.17 -1.13 -0.83 -2.65 -0.54 0.00 0.00 174.62 169.65 3dxj n PRO 955 N 7.81 -0.05 0.00 3.99 -0.02 -1.26 -3.11 135.00 142.35 3dxj n PRO 955 Ca 0.06 -0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 3dxj n PRO 955 Cb 0.48 -1.08 0.00 0.00 -0.02 0.00 0.00 33.50 32.88 3dxj n PRO 955 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dxj n GLY 956 N 3.31 1.74 3.78 -1.23 0.00 -1.26 -4.97 105.19 106.56 3dxj n GLY 956 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 3dxj n GLY 956 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dxj s LYS 957 N 0.00 2.41 0.14 1.61 1.02 -1.18 -4.93 119.74 118.81 3dxj s LYS 957 Ca 0.00 1.15 -0.32 0.00 0.02 0.00 0.00 55.97 56.82 3dxj s LYS 957 Cb 0.00 -1.92 -0.11 0.00 -0.52 0.00 0.00 37.83 35.28 3dxj s LYS 957 CO 0.00 -1.52 1.79 -2.37 -0.92 0.00 0.00 175.35 172.33 3dxj n THR 958 N -3.37 0.25 -0.23 2.17 5.66 -1.26 -4.73 114.28 112.77 3dxj n THR 958 Ca 0.09 -0.04 -0.06 0.00 -3.05 0.00 0.00 64.05 60.98 3dxj n THR 958 Cb 0.53 -2.01 -0.05 0.00 -1.55 0.00 0.00 70.33 67.24 3dxj n THR 958 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 3dxj n PRO 959 N 5.05 -0.24 -0.23 1.09 -0.02 -1.26 0.49 135.00 139.87 3dxj n PRO 959 Ca 0.18 1.04 -0.11 0.00 -2.02 0.00 0.00 63.50 62.58 3dxj n PRO 959 Cb 0.35 -1.53 -0.08 0.00 -0.02 0.00 0.00 33.50 32.22 3dxj n PRO 959 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3dxj h GLU 960 N 0.00 -0.24 -0.35 -0.52 4.81 -2.02 -1.37 114.58 114.88 3dxj h GLU 960 Ca 0.09 0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.41 3dxj h GLU 960 Cb 0.22 0.05 -0.08 0.00 0.63 0.00 0.00 28.75 29.58 3dxj h GLU 960 CO -0.52 -0.16 -0.19 1.49 -0.73 0.00 0.00 179.01 178.91 3dxj h GLU 961 N -0.25 -0.13 -0.97 1.92 4.57 -0.31 -1.68 114.58 117.72 3dxj h GLU 961 Ca 0.13 0.01 0.23 0.00 -1.18 0.00 0.00 59.36 58.55 3dxj h GLU 961 Cb 0.54 0.03 -0.18 0.00 -0.16 0.00 0.00 28.75 28.98 3dxj h GLU 961 CO -0.72 -0.09 -0.13 1.04 -1.18 0.00 0.00 179.01 177.94 3dxj n GLN 962 N -5.36 -0.08 -0.26 1.92 6.02 0.46 -0.26 117.38 119.82 3dxj n GLN 962 Ca 0.01 1.49 -0.10 0.00 -0.01 0.00 0.00 57.00 58.39 3dxj n GLN 962 Cb 0.27 -2.29 -0.07 0.00 1.02 0.00 0.00 30.24 29.17 3dxj n GLN 962 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3dxj h LEU 963 N 0.00 -1.81 -0.49 1.08 3.38 -1.12 0.54 115.31 116.88 3dxj h LEU 963 Ca 0.52 0.28 0.06 0.00 0.09 0.00 0.00 57.88 58.83 3dxj h LEU 963 Cb 0.94 0.80 -0.09 0.00 0.09 0.00 0.00 40.66 42.39 3dxj h LEU 963 CO -0.96 -0.32 -0.53 0.50 0.09 0.00 0.00 178.44 177.21 3dxj h LYS 964 N -0.20 -0.32 -0.94 1.13 3.64 -0.69 1.48 116.57 120.67 3dxj h LYS 964 Ca 0.15 0.02 0.22 0.00 -1.27 0.00 0.00 60.65 59.78 3dxj h LYS 964 Cb 0.53 0.07 -0.17 0.00 -0.41 0.00 0.00 32.23 32.25 3dxj h LYS 964 CO -0.75 -0.21 -0.08 1.49 -2.27 0.00 0.00 179.45 177.62 3dxj h GLU 965 N -0.33 0.02 0.46 1.90 4.81 -0.76 0.55 114.58 121.23 3dxj h GLU 965 Ca 0.10 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.31 3dxj h GLU 965 Cb 0.57 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.95 3dxj h GLU 965 CO -0.64 0.01 -0.22 1.25 -0.73 0.00 0.00 179.01 178.68 3dxj h LEU 966 N 0.02 -0.52 -0.82 1.64 5.85 0.13 -3.03 115.31 118.57 3dxj h LEU 966 Ca 0.51 -0.07 0.18 0.00 0.84 0.00 0.00 57.88 59.34 3dxj h LEU 966 Cb 0.94 0.14 -0.15 0.00 0.37 0.00 0.00 40.66 41.95 3dxj h LEU 966 CO -0.90 -0.22 -0.10 0.15 -0.34 0.00 0.00 178.44 177.02 3dxj h PHE 967 N -0.83 -0.26 -0.03 1.25 3.57 0.58 0.81 116.94 122.03 3dxj h PHE 967 Ca -0.06 0.07 0.01 0.00 3.53 0.00 0.00 57.97 61.51 3dxj h PHE 967 Cb 0.57 0.24 -0.00 0.00 2.79 0.00 0.00 35.95 39.55 3dxj h PHE 967 CO -0.00 -0.33 0.12 -0.07 -2.23 0.00 0.00 178.31 175.80 3dxj h LEU 968 N 0.03 0.00 -1.89 0.59 3.38 -0.01 1.41 115.31 118.81 3dxj h LEU 968 Ca 0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.40 3dxj h LEU 968 Cb 0.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 3dxj h LEU 968 CO -0.80 0.00 0.00 0.00 0.09 0.00 0.00 178.44 177.73 3dxj n GLN 969 N -3.21 2.47 -0.75 1.13 6.02 0.28 -4.78 117.38 118.54 3dxj n GLN 969 Ca -0.02 -1.57 0.00 0.00 -0.01 0.00 0.00 57.00 55.40 3dxj n GLN 969 Cb 0.20 -1.59 0.00 0.00 1.02 0.00 0.00 30.24 29.87 3dxj n GLN 969 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3dxj n GLY 970 N 0.78 0.60 3.90 1.08 0.00 0.48 -4.96 105.19 107.07 3dxj n GLY 970 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 3dxj n GLY 970 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dxj s LYS 971 N -0.42 3.56 0.31 1.61 1.02 -1.19 -3.31 119.74 121.32 3dxj s LYS 971 Ca 0.00 -0.16 0.03 0.00 0.02 0.00 0.00 55.97 55.86 3dxj s LYS 971 Cb 0.00 -3.01 -0.04 0.00 -0.52 0.00 0.00 37.83 34.26 3dxj s LYS 971 CO 0.00 0.60 0.14 0.14 -0.92 0.00 0.00 175.35 175.31 3dxj s VAL 972 N -1.43 0.44 -0.04 3.17 -7.23 0.12 -3.00 120.40 112.42 3dxj s VAL 972 Ca 0.32 -2.00 -0.17 0.00 -1.81 0.00 0.00 61.98 58.32 3dxj s VAL 972 Cb -0.13 -2.52 -0.05 0.00 0.56 0.00 0.00 36.38 34.24 3dxj s VAL 972 CO 0.21 0.00 0.47 -0.69 -0.31 0.00 0.00 175.10 174.77 3dxj s VAL 973 N -3.55 5.06 -0.02 1.32 1.01 -1.26 0.17 120.40 123.13 3dxj s VAL 973 Ca 0.34 0.96 0.06 0.00 0.00 0.00 0.00 61.98 63.34 3dxj s VAL 973 Cb 0.05 -3.79 -0.01 0.00 0.00 0.00 0.00 36.38 32.63 3dxj s VAL 973 CO 0.17 0.45 -0.20 -0.76 0.00 0.00 0.00 175.10 174.76 3dxj s LEU 974 N -0.27 2.03 -0.07 3.92 1.43 -1.26 -4.37 118.68 120.09 3dxj s LEU 974 Ca 0.26 -0.37 -0.04 0.00 -1.03 0.00 0.00 54.13 52.95 3dxj s LEU 974 Cb -0.16 -1.04 -0.04 0.00 0.03 0.00 0.00 46.19 44.98 3dxj s LEU 974 CO 0.13 0.24 0.09 -0.31 0.23 0.00 0.00 176.35 176.73 3dxj s TYR 975 N -0.41 3.40 -0.28 0.29 1.51 -0.17 0.07 117.35 121.76 3dxj s TYR 975 Ca 0.06 0.34 -0.28 0.00 -1.01 0.00 0.00 57.07 56.18 3dxj s TYR 975 Cb -0.08 -1.84 0.01 0.00 -0.11 0.00 0.00 41.96 39.94 3dxj s TYR 975 CO -0.00 0.61 1.03 0.34 -1.11 0.00 0.00 175.55 176.42 3dxj s ASP 976 N -1.26 6.97 0.40 2.29 2.15 -0.82 -2.36 116.67 124.05 3dxj s ASP 976 Ca 0.18 1.14 0.24 0.00 0.43 0.00 0.00 52.55 54.54 3dxj s ASP 976 Cb -0.12 -2.53 1.33 0.00 -0.30 0.00 0.00 42.92 41.31 3dxj s ASP 976 CO 0.07 -0.77 1.73 1.23 -0.17 0.00 0.00 175.17 177.27 3dxj h GLY 977 N 9.76 0.00 0.00 2.66 0.00 -1.41 1.11 103.07 115.20 3dxj h GLY 977 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.13 3dxj h GLY 977 CO 0.99 0.00 -0.01 3.21 0.00 0.00 0.00 176.54 180.73 3dxj h ARG 978 N 0.00 0.00 0.00 4.80 3.08 -1.77 -3.32 114.38 117.17 3dxj h ARG 978 Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 3dxj h ARG 978 Cb 0.15 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 3dxj h ARG 978 CO 0.00 0.00 -0.23 1.79 -1.07 0.00 0.00 179.97 180.46 3dxj h THR 979 N -0.03 0.44 0.00 2.04 1.35 -1.91 -3.47 112.91 111.33 3dxj h THR 979 Ca 0.00 -1.38 0.00 0.00 -0.55 0.00 0.00 66.41 64.48 3dxj h THR 979 Cb 0.01 2.01 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 3dxj h THR 979 CO 0.00 0.22 0.00 0.61 -0.25 0.00 0.00 175.52 176.10 3dxj n GLY 980 N 0.74 1.46 3.56 5.82 0.00 0.38 -4.95 105.19 112.19 3dxj n GLY 980 Ca 0.02 -0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 3dxj n GLY 980 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dxj n GLU 981 N 0.00 1.10 -0.50 1.61 1.02 -1.26 -3.94 120.64 118.66 3dxj n GLU 981 Ca 0.00 0.39 -0.24 0.00 -0.02 0.00 0.00 57.16 57.29 3dxj n GLU 981 Cb 0.00 -1.79 0.22 0.00 -0.02 0.00 0.00 31.44 29.84 3dxj n GLU 981 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 3dxj n PRO 982 N 0.50 -3.50 -3.72 3.49 -0.04 -1.26 -1.94 135.00 128.53 3dxj n PRO 982 Ca 0.10 -1.27 -0.37 0.00 -0.04 0.00 0.00 63.50 61.92 3dxj n PRO 982 Cb 0.36 -1.40 -0.12 0.00 -0.04 0.00 0.00 33.50 32.30 3dxj n PRO 982 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3dxj s ILE 983 N -2.22 4.33 -0.72 0.52 1.01 0.11 -4.65 121.20 119.58 3dxj s ILE 983 Ca 0.55 -0.39 -0.17 0.00 0.00 0.00 0.00 60.65 60.64 3dxj s ILE 983 Cb -0.07 -3.15 -0.17 0.00 0.01 0.00 0.00 42.46 39.08 3dxj s ILE 983 CO 0.44 0.17 1.90 -1.84 0.00 0.00 0.00 174.94 175.61 3dxj n GLU 984 N 4.93 0.15 0.00 2.79 0.28 -1.26 -4.37 120.64 123.16 3dxj n GLU 984 Ca -0.15 -0.78 0.00 0.00 -0.16 0.00 0.00 57.16 56.07 3dxj n GLU 984 Cb 0.50 -2.62 0.00 0.00 1.43 0.00 0.00 31.44 30.74 3dxj n GLU 984 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3dxj n GLY 985 N 5.75 4.08 3.70 -1.84 0.00 -1.26 -5.09 105.19 110.52 3dxj n GLY 985 Ca 0.36 -1.24 -0.32 0.00 0.00 0.00 0.00 46.02 44.81 3dxj n GLY 985 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3dxj s PRO 986 N -5.08 1.52 -0.07 1.61 0.02 -1.26 -4.71 135.00 127.03 3dxj s PRO 986 Ca 0.00 1.63 0.01 0.00 0.02 0.00 0.00 61.00 62.66 3dxj s PRO 986 Cb 0.00 -1.78 0.02 0.00 0.02 0.00 0.00 34.50 32.76 3dxj s PRO 986 CO 0.00 -2.27 -0.09 0.42 -0.33 0.00 0.00 177.00 174.72 3dxj s ILE 987 N -2.39 0.97 -0.08 2.83 -1.09 0.45 -4.84 121.20 117.06 3dxj s ILE 987 Ca 0.70 -0.35 -0.30 0.00 -2.23 0.00 0.00 60.65 58.47 3dxj s ILE 987 Cb -0.25 -0.93 -0.02 0.00 -1.58 0.00 0.00 42.46 39.68 3dxj s ILE 987 CO 0.53 0.33 1.12 0.54 -1.23 0.00 0.00 174.94 176.23 3dxj s VAL 988 N 0.96 4.47 0.14 2.92 0.11 -1.26 0.14 120.40 127.89 3dxj s VAL 988 Ca -0.09 1.77 0.01 0.00 -2.93 0.00 0.00 61.98 60.74 3dxj s VAL 988 Cb -0.15 -4.14 -0.01 0.00 -1.53 0.00 0.00 36.38 30.56 3dxj s VAL 988 CO 0.00 -0.01 0.05 1.33 -3.33 0.00 0.00 175.10 173.15 3dxj n VAL 989 N 4.63 0.00 0.00 2.04 0.24 -1.21 -2.41 118.33 121.62 3dxj n VAL 989 Ca 0.10 -0.84 0.00 0.00 -2.04 0.00 0.00 64.34 61.56 3dxj n VAL 989 Cb 0.47 0.30 0.00 0.00 -1.47 0.00 0.00 33.84 33.14 3dxj n VAL 989 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3dxj n GLY 990 N 1.24 0.99 3.79 7.63 0.00 -0.76 -4.62 105.19 113.45 3dxj n GLY 990 Ca -0.02 -2.05 -0.37 0.00 0.00 0.00 0.00 46.02 43.58 3dxj n GLY 990 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dxj s GLN 991 N -1.01 4.52 -0.09 1.61 -0.21 -1.15 -1.52 119.66 121.81 3dxj s GLN 991 Ca 0.00 1.24 -0.05 0.00 0.02 0.00 0.00 55.36 56.57 3dxj s GLN 991 Cb 0.00 -2.82 0.04 0.00 1.00 0.00 0.00 33.01 31.23 3dxj s GLN 991 CO 0.00 0.31 0.21 1.41 -2.12 0.00 0.00 175.29 175.10 3dxj s MET 992 N -2.03 0.18 -0.35 2.91 -2.45 -0.58 -3.68 119.30 113.31 3dxj s MET 992 Ca 0.49 0.44 -0.26 0.00 -1.25 0.00 0.00 55.69 55.11 3dxj s MET 992 Cb -0.18 -0.09 0.01 0.00 1.25 0.00 0.00 34.83 35.82 3dxj s MET 992 CO 0.23 -0.14 0.92 0.12 1.05 0.00 0.00 175.02 177.21 3dxj s PHE 993 N 1.00 3.12 0.25 4.11 2.19 -1.26 -1.30 117.98 126.09 3dxj s PHE 993 Ca -0.07 0.86 0.11 0.00 0.33 0.00 0.00 56.93 58.16 3dxj s PHE 993 Cb -0.09 -3.56 -0.05 0.00 -1.31 0.00 0.00 43.02 38.02 3dxj s PHE 993 CO -0.06 -0.76 -0.19 0.42 1.83 0.00 0.00 175.22 176.47 3dxj s ILE 994 N 3.39 2.58 0.07 3.12 1.01 0.86 -4.26 121.20 127.97 3dxj s ILE 994 Ca 0.38 -2.21 0.06 0.00 0.00 0.00 0.00 60.65 58.88 3dxj s ILE 994 Cb -0.12 -2.32 -0.03 0.00 0.01 0.00 0.00 42.46 40.00 3dxj s ILE 994 CO 0.17 -0.30 -0.16 -0.04 0.00 0.00 0.00 174.94 174.61 3dxj s MET 995 N -3.25 0.93 -0.02 2.79 -1.94 -0.06 -0.60 119.30 117.16 3dxj s MET 995 Ca 0.27 -0.95 -0.10 0.00 -1.71 0.00 0.00 55.69 53.20 3dxj s MET 995 Cb -0.06 -1.00 -0.05 0.00 2.01 0.00 0.00 34.83 35.73 3dxj s MET 995 CO 0.14 0.23 0.30 0.21 -0.01 0.00 0.00 175.02 175.89 3dxj s LYS 996 N -1.61 3.68 0.12 2.03 2.20 -1.26 -1.12 119.74 123.78 3dxj s LYS 996 Ca 0.01 0.11 0.05 0.00 -0.36 0.00 0.00 55.97 55.77 3dxj s LYS 996 Cb -0.09 -3.14 -0.04 0.00 -1.51 0.00 0.00 37.83 33.05 3dxj s LYS 996 CO 0.02 0.68 0.06 -0.51 -0.36 0.00 0.00 175.35 175.25 3dxj s LEU 997 N -1.38 3.64 0.44 5.43 1.43 -0.12 -2.02 118.68 126.11 3dxj s LEU 997 Ca 0.24 -0.14 -0.25 0.00 -1.03 0.00 0.00 54.13 52.95 3dxj s LEU 997 Cb -0.14 -2.31 -0.09 0.00 0.03 0.00 0.00 46.19 43.68 3dxj s LEU 997 CO 0.12 0.14 1.30 0.00 0.23 0.00 0.00 176.35 178.15 3dxj n TYR 998 N 0.22 2.23 -3.64 0.29 9.36 -0.63 -4.65 117.16 120.34 3dxj n TYR 998 Ca -0.09 0.48 -0.40 0.00 3.32 0.00 0.00 57.90 61.21 3dxj n TYR 998 Cb 0.53 -2.39 -0.11 0.00 -0.63 0.00 0.00 39.34 36.74 3dxj n TYR 998 CO 0.00 0.00 0.00 -1.58 0.22 0.00 0.00 176.86 175.50 3dxj s HIS 999 N -1.22 3.31 0.12 2.98 5.65 -1.26 -5.02 115.29 119.85 3dxj s HIS 999 Ca 0.62 -1.42 -0.31 0.00 0.25 0.00 0.00 55.06 54.21 3dxj s HIS 999 Cb -0.48 -2.69 -0.08 0.00 -1.18 0.00 0.00 32.58 28.15 3dxj s HIS 999 CO 0.57 -0.78 1.35 -1.64 -0.65 0.00 0.00 174.74 173.58 3dxj s MET 1000N 1.44 4.35 0.50 2.88 1.00 -1.26 -4.86 119.30 123.34 3dxj s MET 1000Ca 0.02 2.03 0.33 0.00 0.00 0.00 0.00 55.69 58.07 3dxj s MET 1000Cb -0.21 -3.25 1.80 0.00 0.00 0.00 0.00 34.83 33.17 3dxj s MET 1000CO 0.03 -0.38 2.02 -0.39 0.00 0.00 0.00 175.02 176.31 3dxj h VAL 1001N 4.19 0.00 0.00 -6.03 -1.51 -1.97 1.70 116.25 112.63 3dxj h VAL 1001Ca -0.43 -0.01 -0.13 0.00 -1.23 0.00 0.00 66.70 64.91 3dxj h VAL 1001Cb 1.21 0.76 -0.02 0.00 -2.13 0.00 0.00 31.29 31.11 3dxj h VAL 1001CO 0.84 0.00 -0.60 1.05 -1.23 0.00 0.00 177.57 177.63 3dxj h GLU 1002N 0.00 0.00 -0.01 5.19 -0.00 -2.04 -2.82 114.58 114.90 3dxj h GLU 1002Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 3dxj h GLU 1002Cb 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.76 3dxj h GLU 1002CO 0.00 0.60 -0.18 -3.47 -0.00 0.00 0.00 179.01 175.96 3dxj n ASP 1003N -3.31 1.06 -4.11 3.06 2.03 0.57 -4.92 116.55 110.92 3dxj n ASP 1003Ca 0.01 -0.99 -0.33 0.00 0.52 0.00 0.00 54.79 54.00 3dxj n ASP 1003Cb 0.74 0.08 0.11 0.00 -0.72 0.00 0.00 41.12 41.34 3dxj n ASP 1003CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 3dxj n LYS 1004N -0.50 -1.02 -3.15 -0.67 4.81 -0.30 -4.85 118.16 112.48 3dxj n LYS 1004Ca 0.14 -0.29 -0.45 0.00 -0.87 0.00 0.00 58.31 56.84 3dxj n LYS 1004Cb 0.34 -1.40 -0.04 0.00 0.02 0.00 0.00 35.03 33.95 3dxj n LYS 1004CO 0.00 0.00 0.00 1.41 1.17 0.00 0.00 177.40 179.98 3dxj s MET 1005N -2.85 3.19 0.42 1.64 -2.45 -1.26 -5.04 119.30 112.95 3dxj s MET 1005Ca 0.46 -1.61 -0.09 0.00 -1.25 0.00 0.00 55.69 53.20 3dxj s MET 1005Cb -0.02 -4.37 -0.06 0.00 1.25 0.00 0.00 34.83 31.63 3dxj s MET 1005CO 0.63 -1.50 0.76 -1.01 1.05 0.00 0.00 175.02 174.95 3dxj s HIS 1006N 2.13 3.50 -0.30 4.11 0.09 -1.26 -4.94 115.29 118.62 3dxj s HIS 1006Ca 0.14 0.97 -0.08 0.00 -0.00 0.00 0.00 55.06 56.09 3dxj s HIS 1006Cb -0.20 -2.39 0.18 0.00 -0.00 0.00 0.00 32.58 30.17 3dxj s HIS 1006CO 0.01 -0.14 0.93 0.00 -0.00 0.00 0.00 174.74 175.55 3dxj s ALA 1007N -2.45 -3.39 0.34 -1.40 0.00 -1.26 -5.16 121.76 108.44 3dxj s ALA 1007Ca 0.50 1.39 0.07 0.00 0.00 0.00 0.00 51.96 53.91 3dxj s ALA 1007Cb -0.10 -2.60 -0.01 0.00 0.00 0.00 0.00 23.12 20.40 3dxj s ALA 1007CO 0.35 -1.75 0.43 0.50 0.00 0.00 0.00 175.76 175.29 3dxj s ARG 1008N 2.93 3.01 0.00 0.00 3.52 -1.26 -4.79 118.95 122.35 3dxj s ARG 1008Ca 0.14 -1.10 0.00 0.00 -0.13 0.00 0.00 55.73 54.64 3dxj s ARG 1008Cb -0.07 -2.73 0.00 0.00 -1.56 0.00 0.00 34.95 30.58 3dxj s ARG 1008CO -0.19 0.05 0.00 0.45 -0.81 0.00 0.00 175.30 174.80 3dxj n SER 1009N -1.59 0.33 -3.65 -2.12 2.88 -1.26 -5.09 113.62 103.12 3dxj n SER 1009Ca -0.00 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.52 3dxj n SER 1009Cb 0.59 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.98 3dxj n SER 1009CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 3dxj s THR 1010N -1.42 0.00 0.00 2.46 -1.32 -1.26 -5.16 115.64 108.94 3dxj s THR 1010Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 3dxj s THR 1010Cb 0.00 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 3dxj s THR 1010CO 0.00 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 3dxj n GLY 1011N 1.23 1.45 3.47 6.08 0.00 -1.26 -4.96 105.19 111.20 3dxj n GLY 1011Ca -0.07 0.11 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 3dxj n GLY 1011CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3dxj n PRO 1012N 0.00 -1.02 -3.66 1.61 -0.02 -1.01 -4.76 135.00 126.13 3dxj n PRO 1012Ca 0.00 -0.26 -0.10 0.00 -2.02 0.00 0.00 63.50 61.12 3dxj n PRO 1012Cb 0.00 -2.04 -0.11 0.00 -0.02 0.00 0.00 33.50 31.33 3dxj n PRO 1012CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 3dxj s TYR 1013N -2.44 -0.65 -0.20 6.00 2.02 -1.26 0.11 117.35 120.93 3dxj s TYR 1013Ca 0.62 1.30 -0.39 0.00 -0.37 0.00 0.00 57.07 58.23 3dxj s TYR 1013Cb -0.21 0.18 -0.18 0.00 -0.40 0.00 0.00 41.96 41.35 3dxj s TYR 1013CO 0.64 -0.42 1.18 0.45 -1.57 0.00 0.00 175.55 175.82 3dxj n SER 1014N 5.29 0.49 0.12 2.29 2.88 -0.70 -4.67 113.62 119.32 3dxj n SER 1014Ca -0.09 1.05 0.19 0.00 -1.33 0.00 0.00 58.87 58.70 3dxj n SER 1014Cb 0.50 -0.81 0.71 0.00 -0.75 0.00 0.00 64.21 63.86 3dxj n SER 1014CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 3dxj h LEU 1015N 3.50 0.00 0.00 2.46 5.85 -1.99 -2.22 115.31 122.92 3dxj h LEU 1015Ca -0.43 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.29 3dxj h LEU 1015Cb 1.26 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.29 3dxj h LEU 1015CO 0.72 0.00 0.00 -0.38 -0.34 0.00 0.00 178.44 178.44 3dxj n ILE 1016N -3.45 0.00 -0.30 4.05 5.41 -1.26 -4.63 119.36 119.19 3dxj n ILE 1016Ca 0.07 0.19 0.35 0.00 1.00 0.00 0.00 62.75 64.35 3dxj n ILE 1016Cb 0.67 -1.13 0.72 0.00 -0.71 0.00 0.00 39.64 39.19 3dxj n ILE 1016CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 3dxj h THR 1017N 0.00 0.27 -4.02 1.39 1.35 -1.96 -3.45 112.91 106.50 3dxj h THR 1017Ca 0.00 0.00 -0.24 0.00 -0.55 0.00 0.00 66.41 65.62 3dxj h THR 1017Cb 0.00 0.32 0.09 0.00 -1.73 0.00 0.00 68.15 66.83 3dxj h THR 1017CO 0.00 0.00 -0.43 0.00 -0.25 0.00 0.00 175.52 174.84 3dxj n GLN 1018N -3.92 -4.83 -4.82 4.72 1.13 -0.83 -4.57 117.38 104.25 3dxj n GLN 1018Ca 0.25 0.51 -0.26 0.00 -1.94 0.00 0.00 57.00 55.57 3dxj n GLN 1018Cb 1.31 -4.59 -0.15 0.00 0.11 0.00 0.00 30.24 26.93 3dxj n GLN 1018CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 3dxj s GLN 1019N -5.69 1.49 -0.12 -1.09 -0.21 -1.26 -4.47 119.66 108.31 3dxj s GLN 1019Ca 0.32 -0.78 -0.11 0.00 0.02 0.00 0.00 55.36 54.81 3dxj s GLN 1019Cb -0.14 -1.50 -0.05 0.00 1.00 0.00 0.00 33.01 32.33 3dxj s GLN 1019CO 0.45 0.40 0.38 -2.30 -2.12 0.00 0.00 175.29 172.10 3dxj n PRO 1020N 2.32 0.00 -4.76 2.91 -0.02 -1.26 -1.72 135.00 132.47 3dxj n PRO 1020Ca -0.16 0.00 -0.27 0.00 -2.02 0.00 0.00 63.50 61.05 3dxj n PRO 1020Cb 0.53 -0.36 -0.14 0.00 -0.02 0.00 0.00 33.50 33.51 3dxj n PRO 1020CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3dxj s LEU 1021N 0.71 2.16 -0.02 2.45 2.96 0.30 -4.41 118.68 122.82 3dxj s LEU 1021Ca 0.25 -0.54 -0.09 0.00 -0.22 0.00 0.00 54.13 53.53 3dxj s LEU 1021Cb -0.36 -1.10 -0.05 0.00 0.50 0.00 0.00 46.19 45.18 3dxj s LEU 1021CO 0.19 0.20 0.28 -0.83 -1.32 0.00 0.00 176.35 174.88 3dxj s GLY 1022N -1.17 2.29 0.00 7.98 0.00 -1.26 -2.40 107.32 112.76 3dxj s GLY 1022Ca 0.09 -0.48 0.00 0.00 0.00 0.00 0.00 44.72 44.33 3dxj s GLY 1022CO 0.02 -0.23 0.00 0.61 0.00 0.00 0.00 173.10 173.50 3dxj n GLY 1023N 1.52 1.82 0.11 0.20 0.00 0.27 -4.88 105.19 104.23 3dxj n GLY 1023Ca -0.14 -1.80 -0.20 0.00 0.00 0.00 0.00 46.02 43.89 3dxj n GLY 1023CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dxj n LYS 1024N 0.00 0.55 -0.43 1.61 5.02 -1.26 -4.27 118.16 119.38 3dxj n LYS 1024Ca 0.00 0.41 0.10 0.00 -2.02 0.00 0.00 58.31 56.80 3dxj n LYS 1024Cb 0.00 -1.61 0.31 0.00 -0.02 0.00 0.00 35.03 33.71 3dxj n LYS 1024CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3dxj n ALA 1025N -3.88 2.67 -3.52 7.82 0.00 -1.26 -4.80 120.51 117.54 3dxj n ALA 1025Ca -0.33 -1.28 -0.26 0.00 0.00 0.00 0.00 53.44 51.58 3dxj n ALA 1025Cb 0.65 -0.98 -0.17 0.00 0.00 0.00 0.00 19.45 18.96 3dxj n ALA 1025CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3dxj s GLN 1026N -1.40 1.82 0.89 0.00 2.00 -1.26 -4.58 119.66 117.13 3dxj s GLN 1026Ca 0.46 -0.44 -0.11 0.00 -2.00 0.00 0.00 55.36 53.26 3dxj s GLN 1026Cb 0.26 -1.53 0.12 0.00 0.80 0.00 0.00 33.01 32.66 3dxj s GLN 1026CO 0.27 -0.01 1.09 -0.06 -0.50 0.00 0.00 175.29 176.09 3dxj s PHE 1027N 0.79 2.32 0.55 1.67 0.08 -1.26 0.95 117.98 123.08 3dxj s PHE 1027Ca -0.12 1.28 0.08 0.00 0.12 0.00 0.00 56.93 58.30 3dxj s PHE 1027Cb -0.15 -3.15 0.07 0.00 -0.57 0.00 0.00 43.02 39.21 3dxj s PHE 1027CO 0.02 -2.37 0.66 0.20 -0.10 0.00 0.00 175.22 173.63 3dxj s GLY 1028N -3.40 1.93 0.24 4.36 0.00 -1.26 -4.00 107.32 105.19 3dxj s GLY 1028Ca 0.63 -1.87 0.05 0.00 0.00 0.00 0.00 44.72 43.53 3dxj s GLY 1028CO 0.57 -1.75 0.33 -0.32 0.00 0.00 0.00 173.10 171.93 3dxj s GLY 1029N -4.53 1.25 0.20 0.20 0.00 -1.26 -4.33 107.32 98.85 3dxj s GLY 1029Ca 0.53 -1.27 -0.30 0.00 0.00 0.00 0.00 44.72 43.68 3dxj s GLY 1029CO 0.33 -1.29 1.23 1.20 0.00 0.00 0.00 173.10 174.57 3dxj s GLN 1030N -3.96 4.46 -0.88 2.90 -1.52 -1.26 -4.93 119.66 114.48 3dxj s GLN 1030Ca 0.34 1.94 -0.25 0.00 -1.95 0.00 0.00 55.36 55.44 3dxj s GLN 1030Cb -0.09 -3.22 -0.00 0.00 -0.22 0.00 0.00 33.01 29.48 3dxj s GLN 1030CO 0.28 -0.12 1.69 0.50 -0.25 0.00 0.00 175.29 177.39 3dxj s ARG 1031N -0.35 2.98 -0.54 2.91 3.52 -1.26 -4.92 118.95 121.29 3dxj s ARG 1031Ca 0.53 -0.42 -0.29 0.00 -0.13 0.00 0.00 55.73 55.42 3dxj s ARG 1031Cb -0.34 -4.95 0.03 0.00 -1.56 0.00 0.00 34.95 28.13 3dxj s ARG 1031CO 0.38 -2.75 1.18 0.12 -0.81 0.00 0.00 175.30 173.42 3dxj s PHE 1032N 7.72 2.68 0.53 5.12 5.36 -1.26 -5.01 117.98 133.13 3dxj s PHE 1032Ca 0.57 0.54 0.06 0.00 -0.96 0.00 0.00 56.93 57.14 3dxj s PHE 1032Cb -0.06 -4.49 0.03 0.00 -0.34 0.00 0.00 43.02 38.17 3dxj s PHE 1032CO 0.01 -1.47 0.38 0.20 -1.46 0.00 0.00 175.22 172.88 3dxj s GLY 1033N 2.79 2.38 0.24 13.12 0.00 -1.26 -4.95 107.32 119.64 3dxj s GLY 1033Ca 0.46 -1.31 -0.07 0.00 0.00 0.00 0.00 44.72 43.80 3dxj s GLY 1033CO 0.28 -1.93 1.66 1.05 0.00 0.00 0.00 173.10 174.16 3dxj h GLU 1034N 0.82 0.16 -0.97 2.90 4.11 -1.97 0.28 114.58 119.90 3dxj h GLU 1034Ca -0.38 -0.01 0.21 0.00 0.07 0.00 0.00 59.36 59.25 3dxj h GLU 1034Cb 1.30 -0.04 -0.11 0.00 0.50 0.00 0.00 28.75 30.40 3dxj h GLU 1034CO 0.58 0.11 0.56 0.52 0.07 0.00 0.00 179.01 180.85 3dxj h MET 1035N 0.16 0.63 0.03 1.06 2.86 -1.98 1.26 114.93 118.94 3dxj h MET 1035Ca 0.40 -0.04 -0.22 0.00 -2.06 0.00 0.00 59.70 57.78 3dxj h MET 1035Cb 0.69 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.19 3dxj h MET 1035CO -0.58 0.42 -1.04 0.93 1.06 0.00 0.00 176.91 177.70 3dxj h GLU 1036N 0.65 0.06 0.23 1.72 3.07 -1.05 -2.32 114.58 116.95 3dxj h GLU 1036Ca 0.58 -0.11 -0.01 0.00 -0.50 0.00 0.00 59.36 59.33 3dxj h GLU 1036Cb 0.99 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.94 3dxj h GLU 1036CO -0.43 1.03 -0.11 0.28 -1.40 0.00 0.00 179.01 178.38 3dxj h VAL 1037N 0.02 0.83 -0.15 3.13 2.07 0.29 -1.23 116.25 121.21 3dxj h VAL 1037Ca -0.04 -0.38 0.04 0.00 0.82 0.00 0.00 66.70 67.15 3dxj h VAL 1037Cb 1.79 1.05 -0.07 0.00 -1.52 0.00 0.00 31.29 32.53 3dxj h VAL 1037CO 0.14 0.08 -0.47 -0.50 0.02 0.00 0.00 177.57 176.85 3dxj h TRP 1038N -0.51 -1.38 -0.18 1.57 6.55 0.13 0.36 115.95 122.49 3dxj h TRP 1038Ca -0.03 0.05 0.03 0.00 0.95 0.00 0.00 58.89 59.89 3dxj h TRP 1038Cb 0.38 0.62 -0.06 0.00 -0.86 0.00 0.00 29.16 29.24 3dxj h TRP 1038CO -0.01 -0.51 -0.48 0.00 -1.05 0.00 0.00 178.44 176.40 3dxj h ALA 1039N -0.03 -0.80 -0.49 1.49 0.00 -1.35 0.18 119.26 118.25 3dxj h ALA 1039Ca 0.06 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.01 3dxj h ALA 1039Cb 0.65 0.99 -0.10 0.00 0.00 0.00 0.00 17.79 19.33 3dxj h ALA 1039CO -0.43 -0.99 -0.42 -0.07 0.00 0.00 0.00 179.25 177.34 3dxj h LEU 1040N -0.46 -1.42 -0.38 0.00 3.38 -0.48 -1.31 115.31 114.64 3dxj h LEU 1040Ca 0.04 0.23 0.04 0.00 0.09 0.00 0.00 57.88 58.28 3dxj h LEU 1040Cb 0.57 0.64 -0.06 0.00 0.09 0.00 0.00 40.66 41.90 3dxj h LEU 1040CO -0.42 -0.35 -0.41 -0.33 0.09 0.00 0.00 178.44 177.03 3dxj h GLU 1041N -0.27 -0.23 -0.63 1.13 5.08 0.46 0.71 114.58 120.83 3dxj h GLU 1041Ca 0.16 0.02 0.16 0.00 -1.00 0.00 0.00 59.36 58.69 3dxj h GLU 1041Cb 0.57 0.05 -0.12 0.00 0.50 0.00 0.00 28.75 29.75 3dxj h GLU 1041CO -0.63 -0.15 -0.05 0.00 -1.00 0.00 0.00 179.01 177.18 3dxj n ALA 1042N -3.02 0.26 -0.03 3.43 0.00 -0.02 0.15 120.51 121.28 3dxj n ALA 1042Ca -0.02 0.68 -0.12 0.00 0.00 0.00 0.00 53.44 53.98 3dxj n ALA 1042Cb 0.24 -0.47 -0.07 0.00 0.00 0.00 0.00 19.45 19.15 3dxj n ALA 1042CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 3dxj h TYR 1043N 0.00 0.20 0.00 0.00 -1.99 -0.67 -3.48 116.97 111.03 3dxj h TYR 1043Ca 0.35 -0.04 0.00 0.00 2.00 0.00 0.00 58.73 61.05 3dxj h TYR 1043Cb 0.67 -0.05 0.00 0.00 2.00 0.00 0.00 36.73 39.35 3dxj h TYR 1043CO -0.38 0.45 0.00 0.41 -0.00 0.00 0.00 178.16 178.64 3dxj n GLY 1044N -0.23 1.36 2.83 3.88 0.00 0.40 -5.01 105.19 108.41 3dxj n GLY 1044Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 3dxj n GLY 1044CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dxj n ALA 1045N -1.04 4.97 -0.02 4.61 0.00 -1.25 -4.79 120.51 122.99 3dxj n ALA 1045Ca 0.00 -3.73 -0.01 0.00 0.00 0.00 0.00 53.44 49.70 3dxj n ALA 1045Cb 0.00 -3.57 -0.01 0.00 0.00 0.00 0.00 19.45 15.88 3dxj n ALA 1045CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dxj h ALA 1046N 6.50 -0.16 -0.85 0.00 0.00 -1.93 -2.46 119.26 120.35 3dxj h ALA 1046Ca 0.53 0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.57 3dxj h ALA 1046Cb 0.65 0.91 -0.13 0.00 0.00 0.00 0.00 17.79 19.21 3dxj h ALA 1046CO 1.91 -0.19 -0.44 0.45 0.00 0.00 0.00 179.25 180.99 3dxj h HIS 1047N -0.01 -1.28 -0.10 0.00 3.86 -1.99 -0.39 115.15 115.24 3dxj h HIS 1047Ca 0.01 0.10 0.02 0.00 -1.16 0.00 0.00 60.37 59.34 3dxj h HIS 1047Cb 0.04 0.68 -0.04 0.00 1.06 0.00 0.00 27.41 29.14 3dxj h HIS 1047CO -0.81 -0.40 -0.38 1.15 0.86 0.00 0.00 177.93 178.36 3dxj h THR 1048N -0.08 0.00 -0.87 2.45 2.02 -1.90 0.40 112.91 114.93 3dxj h THR 1048Ca 0.26 0.00 0.21 0.00 0.77 0.00 0.00 66.41 67.65 3dxj h THR 1048Cb 0.55 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.84 3dxj h THR 1048CO -0.87 0.00 0.36 0.25 0.37 0.00 0.00 175.52 175.63 3dxj h LEU 1049N -0.39 0.29 0.00 2.58 5.85 -0.91 3.05 115.31 125.77 3dxj h LEU 1049Ca 0.02 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.89 3dxj h LEU 1049Cb 0.47 0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.64 3dxj h LEU 1049CO -0.31 0.00 0.00 1.67 -0.34 0.00 0.00 178.44 179.46 3dxj n GLN 1050N -5.06 0.00 -0.33 1.25 7.27 0.11 -1.29 117.38 119.34 3dxj n GLN 1050Ca 0.21 0.02 0.29 0.00 0.07 0.00 0.00 57.00 57.59 3dxj n GLN 1050Cb 0.62 -1.00 0.55 0.00 2.41 0.00 0.00 30.24 32.81 3dxj n GLN 1050CO 0.00 0.00 0.00 1.05 0.07 0.00 0.00 177.06 178.18 3dxj h GLU 1051N 0.00 0.13 -0.46 3.69 4.11 0.05 0.82 114.58 122.91 3dxj h GLU 1051Ca 0.00 -0.01 0.06 0.00 0.07 0.00 0.00 59.36 59.48 3dxj h GLU 1051Cb 0.00 -0.03 -0.09 0.00 0.50 0.00 0.00 28.75 29.13 3dxj h GLU 1051CO 0.00 0.09 -0.51 1.98 0.07 0.00 0.00 179.01 180.64 3dxj h MET 1052N 0.14 -0.33 0.00 1.06 4.05 0.57 0.28 114.93 120.70 3dxj h MET 1052Ca 0.80 0.02 -0.06 0.00 -0.28 0.00 0.00 59.70 60.19 3dxj h MET 1052Cb 2.03 0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 32.89 3dxj h MET 1052CO -0.69 -0.22 -0.85 -0.07 0.23 0.00 0.00 176.91 175.31 3dxj h LEU 1053N -0.34 0.00 0.00 3.39 3.38 0.18 -3.29 115.31 118.63 3dxj h LEU 1053Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3dxj h LEU 1053Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3dxj h LEU 1053CO -0.62 0.22 0.00 0.35 0.09 0.00 0.00 178.44 178.48 3dxj n THR 1054N -2.89 0.00 0.04 0.22 -2.24 0.12 -1.59 114.28 107.94 3dxj n THR 1054Ca -0.01 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.66 3dxj n THR 1054Cb 0.65 -0.24 -0.07 0.00 -2.10 0.00 0.00 70.33 68.57 3dxj n THR 1054CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3dxj h LEU 1055N 0.00 -1.12 0.00 3.22 3.38 -1.64 0.50 115.31 119.65 3dxj h LEU 1055Ca 0.00 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3dxj h LEU 1055Cb 0.00 0.42 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3dxj h LEU 1055CO 0.00 -0.36 0.04 0.29 0.09 0.00 0.00 178.44 178.50 3dxj n LYS 1056N -4.50 0.00 0.00 1.13 5.02 0.93 -4.38 118.16 116.36 3dxj n LYS 1056Ca -0.05 0.24 0.00 0.00 -2.02 0.00 0.00 58.31 56.47 3dxj n LYS 1056Cb 0.27 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 3dxj n LYS 1056CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3dxj n SER 1057N -1.20 0.00 0.05 4.39 2.88 0.08 -4.90 113.62 114.93 3dxj n SER 1057Ca 0.00 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.65 3dxj n SER 1057Cb 0.04 0.05 -0.02 0.00 -0.75 0.00 0.00 64.21 63.53 3dxj n SER 1057CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 3dxj n ASP 1058N -1.36 0.58 -4.56 -3.46 2.03 -0.08 -4.41 116.55 105.29 3dxj n ASP 1058Ca 0.00 0.06 -0.42 0.00 0.52 0.00 0.00 54.79 54.94 3dxj n ASP 1058Cb 0.00 0.89 -0.03 0.00 -0.72 0.00 0.00 41.12 41.26 3dxj n ASP 1058CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3dxj s ASP 1059N -4.62 6.42 0.00 1.67 2.15 0.15 -2.45 116.67 119.99 3dxj s ASP 1059Ca -0.00 -0.03 0.00 0.00 0.43 0.00 0.00 52.55 52.95 3dxj s ASP 1059Cb 0.12 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 40.23 3dxj s ASP 1059CO 0.82 -1.38 0.00 -0.38 -0.17 0.00 0.00 175.17 174.05 3dxj n ILE 1060N 6.52 0.00 -0.18 4.11 5.41 -1.26 -3.07 119.36 130.88 3dxj n ILE 1060Ca 0.06 0.36 0.15 0.00 1.00 0.00 0.00 62.75 64.33 3dxj n ILE 1060Cb 0.48 -1.19 0.28 0.00 -0.71 0.00 0.00 39.64 38.51 3dxj n ILE 1060CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 3dxj n GLU 1061N 0.00 -0.04 0.00 0.38 2.13 -1.26 -1.11 120.64 120.74 3dxj n GLU 1061Ca 0.00 0.79 0.00 0.00 0.66 0.00 0.00 57.16 58.61 3dxj n GLU 1061Cb 0.00 -1.37 0.00 0.00 0.27 0.00 0.00 31.44 30.34 3dxj n GLU 1061CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3dxj n GLY 1062N -1.18 -3.04 0.32 8.31 0.00 -1.22 -1.64 105.19 106.73 3dxj n GLY 1062Ca 0.19 0.40 -0.01 0.00 0.00 0.00 0.00 46.02 46.60 3dxj n GLY 1062CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3dxj n ARG 1063N -2.03 -0.20 0.31 1.61 1.85 -0.27 0.26 116.66 118.20 3dxj n ARG 1063Ca 0.00 1.26 -0.18 0.00 -1.00 0.00 0.00 57.85 57.93 3dxj n ARG 1063Cb 0.00 -1.87 -0.09 0.00 -1.05 0.00 0.00 32.46 29.45 3dxj n ARG 1063CO 0.00 0.00 0.00 -0.91 -0.01 0.00 0.00 177.63 176.71 3dxj h ASN 1064N 0.00 -1.22 -0.89 2.89 2.35 -1.63 2.10 115.58 119.19 3dxj h ASN 1064Ca 0.28 0.09 0.16 0.00 -0.55 0.00 0.00 56.30 56.28 3dxj h ASN 1064Cb 0.49 0.39 -0.10 0.00 0.05 0.00 0.00 38.32 39.15 3dxj h ASN 1064CO -0.81 -0.64 0.47 0.00 -1.65 0.00 0.00 177.43 174.80 3dxj h ALA 1065N -0.75 1.38 0.25 -0.83 0.00 0.29 -0.53 119.26 119.07 3dxj h ALA 1065Ca -0.06 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3dxj h ALA 1065Cb 0.83 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 3dxj h ALA 1065CO -0.02 -0.10 -0.23 0.00 0.00 0.00 0.00 179.25 178.90 3dxj h ALA 1066N 1.59 -0.95 -1.25 0.00 0.00 0.60 -0.28 119.26 118.96 3dxj h ALA 1066Ca 0.50 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.32 3dxj h ALA 1066Cb 0.74 0.45 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3dxj h ALA 1066CO -0.38 -0.96 0.00 0.98 0.00 0.00 0.00 179.25 178.89 3dxj n TYR 1067N -3.73 0.00 -0.28 0.00 9.36 0.69 -1.32 117.16 121.88 3dxj n TYR 1067Ca -0.06 0.00 -0.07 0.00 3.32 0.00 0.00 57.90 61.09 3dxj n TYR 1067Cb 0.21 -0.24 -0.07 0.00 -0.63 0.00 0.00 39.34 38.61 3dxj n TYR 1067CO 0.00 0.00 0.00 -1.91 0.22 0.00 0.00 176.86 175.17 3dxj n GLU 1068N -2.01 -0.29 -0.40 2.98 2.13 -0.32 0.48 120.64 123.22 3dxj n GLU 1068Ca 0.00 1.08 -0.11 0.00 0.66 0.00 0.00 57.16 58.79 3dxj n GLU 1068Cb 0.00 -1.59 -0.10 0.00 0.27 0.00 0.00 31.44 30.03 3dxj n GLU 1068CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3dxj h ALA 1069N 0.27 -0.55 -0.30 4.31 0.00 0.28 0.36 119.26 123.63 3dxj h ALA 1069Ca 0.11 0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.20 3dxj h ALA 1069Cb 0.27 1.35 -0.07 0.00 0.00 0.00 0.00 17.79 19.35 3dxj h ALA 1069CO -0.63 -0.97 -0.14 0.82 0.00 0.00 0.00 179.25 178.33 3dxj h ILE 1070N -0.03 0.55 -0.25 0.00 2.04 0.13 0.72 117.51 120.68 3dxj h ILE 1070Ca 0.16 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.06 3dxj h ILE 1070Cb 0.43 0.55 -0.07 0.00 -0.74 0.00 0.00 36.82 36.99 3dxj h ILE 1070CO -0.92 0.00 -0.52 0.40 0.00 0.00 0.00 178.15 177.12 3dxj h ILE 1071N -0.10 0.00 0.00 -0.67 1.08 0.22 0.94 117.51 118.98 3dxj h ILE 1071Ca 0.16 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.63 3dxj h ILE 1071Cb 0.34 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.09 3dxj h ILE 1071CO -0.36 0.00 0.00 0.29 -0.69 0.00 0.00 178.15 177.39 3dxj n LYS 1072N -5.23 0.25 -2.71 2.37 4.76 0.42 -4.73 118.16 113.29 3dxj n LYS 1072Ca -0.05 0.00 -0.17 0.00 -2.87 0.00 0.00 58.31 55.22 3dxj n LYS 1072Cb 0.34 -1.14 0.02 0.00 -1.84 0.00 0.00 35.03 32.40 3dxj n LYS 1072CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3dxj n GLY 1073N -0.32 -0.26 3.99 0.72 0.00 0.33 -5.00 105.19 104.63 3dxj n GLY 1073Ca 0.02 -0.11 -0.18 0.00 0.00 0.00 0.00 46.02 45.75 3dxj n GLY 1073CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dxj s GLU 1074N -5.28 2.72 0.53 1.61 2.02 0.25 -4.97 118.70 115.58 3dxj s GLU 1074Ca 0.18 -1.34 -0.09 0.00 0.02 0.00 0.00 54.97 53.73 3dxj s GLU 1074Cb -0.08 -2.67 0.13 0.00 0.10 0.00 0.00 34.13 31.61 3dxj s GLU 1074CO 0.22 -0.32 0.53 -3.47 0.02 0.00 0.00 175.26 172.24 3dxj n ASP 1075N -1.83 -1.06 -4.66 -0.19 -0.08 -1.26 -3.98 116.55 103.49 3dxj n ASP 1075Ca 0.08 -0.92 -0.35 0.00 -1.51 0.00 0.00 54.79 52.09 3dxj n ASP 1075Cb 0.60 -0.46 -0.10 0.00 2.34 0.00 0.00 41.12 43.50 3dxj n ASP 1075CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 3dxj s VAL 1076N -2.02 4.48 1.24 5.18 1.01 -1.26 -4.53 120.40 124.50 3dxj s VAL 1076Ca 0.33 -0.17 -0.19 0.00 0.00 0.00 0.00 61.98 61.95 3dxj s VAL 1076Cb -0.03 -2.94 0.30 0.00 0.00 0.00 0.00 36.38 33.72 3dxj s VAL 1076CO 0.25 0.55 1.06 -2.84 0.00 0.00 0.00 175.10 174.12 3dxj s PRO 1077N -0.40 -1.53 0.19 2.72 0.02 -1.26 -5.03 135.00 129.72 3dxj s PRO 1077Ca 0.08 0.07 0.01 0.00 0.02 0.00 0.00 61.00 61.18 3dxj s PRO 1077Cb -0.12 -1.55 -0.04 0.00 0.02 0.00 0.00 34.50 32.81 3dxj s PRO 1077CO 0.02 -3.94 0.35 -1.21 -0.33 0.00 0.00 177.00 171.89 3dxj s GLU 1078N -5.24 3.48 0.11 5.54 0.41 -1.26 -5.07 118.70 116.68 3dxj s GLU 1078Ca 0.70 -0.47 -0.31 0.00 -0.41 0.00 0.00 54.97 54.48 3dxj s GLU 1078Cb -0.12 -2.88 -0.07 0.00 -1.78 0.00 0.00 34.13 29.27 3dxj s GLU 1078CO 0.57 0.44 1.31 -2.14 -0.49 0.00 0.00 175.26 174.95 3dxj s PRO 1079N -3.37 4.37 0.00 0.39 0.02 -1.26 -4.97 135.00 130.18 3dxj s PRO 1079Ca 0.37 1.96 0.00 0.00 0.02 0.00 0.00 61.00 63.35 3dxj s PRO 1079Cb -0.11 -3.27 0.00 0.00 0.02 0.00 0.00 34.50 31.14 3dxj s PRO 1079CO 0.29 -0.34 0.00 -1.13 -0.33 0.00 0.00 177.00 175.49 3dxj n SER 1080N 3.75 0.00 -4.77 2.53 3.41 -1.26 -5.07 113.62 112.21 3dxj n SER 1080Ca 0.10 0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.32 3dxj n SER 1080Cb 0.44 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.33 3dxj n SER 1080CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3dxj s VAL 1081N 2.72 4.91 0.08 -3.33 1.01 -1.26 -4.97 120.40 119.55 3dxj s VAL 1081Ca 0.00 1.20 -0.30 0.00 0.00 0.00 0.00 61.98 62.87 3dxj s VAL 1081Cb 0.00 -3.91 -0.06 0.00 0.00 0.00 0.00 36.38 32.42 3dxj s VAL 1081CO 0.00 0.44 1.19 -2.84 0.00 0.00 0.00 175.10 173.89 3dxj s PRO 1082N -0.33 4.45 0.28 2.72 0.02 -1.26 -4.63 135.00 136.24 3dxj s PRO 1082Ca 0.30 1.77 -0.03 0.00 0.02 0.00 0.00 61.00 63.06 3dxj s PRO 1082Cb -0.18 -3.33 0.57 0.00 0.02 0.00 0.00 34.50 31.58 3dxj s PRO 1082CO 0.17 -0.22 1.50 0.39 -0.33 0.00 0.00 177.00 178.51 3dxj n GLU 1083N 3.71 -0.08 -0.32 5.54 -0.58 -1.03 0.56 120.64 128.45 3dxj n GLU 1083Ca 0.08 1.47 0.08 0.00 -0.42 0.00 0.00 57.16 58.38 3dxj n GLU 1083Cb 0.46 -2.26 0.17 0.00 -0.57 0.00 0.00 31.44 29.24 3dxj n GLU 1083CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 3dxj n SER 1084N -5.51 -0.25 0.01 1.62 3.41 -1.26 0.18 113.62 111.83 3dxj n SER 1084Ca 0.19 1.53 -0.11 0.00 -0.26 0.00 0.00 58.87 60.22 3dxj n SER 1084Cb 0.60 -0.50 -0.08 0.00 -0.26 0.00 0.00 64.21 63.97 3dxj n SER 1084CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 3dxj h PHE 1085N 0.00 -0.12 -0.26 7.33 3.04 -0.26 -1.47 116.94 125.20 3dxj h PHE 1085Ca 0.47 -0.00 0.04 0.00 3.98 0.00 0.00 57.97 62.46 3dxj h PHE 1085Cb 0.82 0.04 -0.07 0.00 2.56 0.00 0.00 35.95 39.30 3dxj h PHE 1085CO -0.61 0.39 -0.55 0.00 -2.02 0.00 0.00 178.31 175.53 3dxj h ARG 1086N -0.87 -0.47 -0.99 1.11 3.08 -0.09 0.36 114.38 116.52 3dxj h ARG 1086Ca -0.01 0.03 0.13 0.00 0.07 0.00 0.00 59.98 60.20 3dxj h ARG 1086Cb 0.57 0.11 -0.14 0.00 0.08 0.00 0.00 29.97 30.58 3dxj h ARG 1086CO 0.02 -0.32 -0.45 0.28 -1.07 0.00 0.00 179.97 178.43 3dxj n VAL 1087N -5.37 -0.57 -0.14 2.04 0.31 0.47 -0.12 118.33 114.95 3dxj n VAL 1087Ca -0.05 2.34 -0.08 0.00 -0.01 0.00 0.00 64.34 66.54 3dxj n VAL 1087Cb 0.36 -3.01 -0.06 0.00 -0.91 0.00 0.00 33.84 30.21 3dxj n VAL 1087CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 3dxj h LEU 1088N 0.00 -1.21 -0.92 7.52 5.85 0.69 0.39 115.31 127.63 3dxj h LEU 1088Ca 0.28 0.17 0.15 0.00 0.84 0.00 0.00 57.88 59.32 3dxj h LEU 1088Cb 0.52 0.51 -0.15 0.00 0.37 0.00 0.00 40.66 41.91 3dxj h LEU 1088CO -0.96 -0.21 -0.33 0.52 -0.34 0.00 0.00 178.44 177.11 3dxj n VAL 1089N -4.36 -0.47 0.21 1.05 0.31 0.83 -0.12 118.33 115.78 3dxj n VAL 1089Ca -0.01 2.14 -0.16 0.00 -0.01 0.00 0.00 64.34 66.30 3dxj n VAL 1089Cb 0.19 -2.86 -0.08 0.00 -0.91 0.00 0.00 33.84 30.18 3dxj n VAL 1089CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 3dxj h LYS 1090N 0.00 -0.77 -0.93 5.55 1.79 -0.07 0.12 116.57 122.26 3dxj h LYS 1090Ca 0.34 0.05 0.14 0.00 -2.18 0.00 0.00 60.65 59.01 3dxj h LYS 1090Cb 0.57 0.18 -0.15 0.00 -1.58 0.00 0.00 32.23 31.25 3dxj h LYS 1090CO -0.92 -0.52 -0.37 0.39 -1.08 0.00 0.00 179.45 176.96 3dxj n GLU 1091N -5.50 -0.22 0.15 3.15 1.02 0.83 0.18 120.64 120.25 3dxj n GLU 1091Ca -0.10 1.44 -0.17 0.00 -0.02 0.00 0.00 57.16 58.31 3dxj n GLU 1091Cb 0.40 -2.13 -0.10 0.00 -0.02 0.00 0.00 31.44 29.60 3dxj n GLU 1091CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3dxj h LEU 1092N 0.00 -1.51 -0.67 -4.62 3.38 -0.18 0.55 115.31 112.26 3dxj h LEU 1092Ca 0.32 0.15 0.13 0.00 0.09 0.00 0.00 57.88 58.58 3dxj h LEU 1092Cb 0.56 0.55 -0.10 0.00 0.09 0.00 0.00 40.66 41.76 3dxj h LEU 1092CO -0.93 -0.57 0.15 1.56 0.09 0.00 0.00 178.44 178.74 3dxj h GLN 1093N -0.80 0.26 -0.27 1.13 4.20 0.25 1.16 115.11 121.04 3dxj h GLN 1093Ca -0.01 -0.02 0.08 0.00 0.06 0.00 0.00 58.65 58.76 3dxj h GLN 1093Cb 0.78 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.49 3dxj h GLN 1093CO -0.24 0.17 0.25 0.00 -0.67 0.00 0.00 178.83 178.34 3dxj h ALA 1094N 1.55 2.03 -0.33 3.87 0.00 0.32 1.29 119.26 127.97 3dxj h ALA 1094Ca 0.36 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.26 3dxj h ALA 1094Cb 0.58 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3dxj h ALA 1094CO -0.46 -0.39 0.00 1.28 0.00 0.00 0.00 179.25 179.69 3dxj n LEU 1095N -4.02 3.01 -3.03 0.00 4.77 0.39 -4.89 117.00 113.24 3dxj n LEU 1095Ca 0.04 -1.52 -0.13 0.00 -0.03 0.00 0.00 56.01 54.36 3dxj n LEU 1095Cb 0.40 -0.48 0.06 0.00 -2.33 0.00 0.00 43.42 41.07 3dxj n LEU 1095CO 0.30 0.47 0.04 0.00 -1.33 0.00 0.00 177.39 176.88 3dxj n ALA 1096N 0.44 -2.08 -3.46 -1.18 0.00 0.44 -5.02 120.51 109.65 3dxj n ALA 1096Ca 0.14 0.07 -0.19 0.00 0.00 0.00 0.00 53.44 53.47 3dxj n ALA 1096Cb 0.60 -4.27 -0.12 0.00 0.00 0.00 0.00 19.45 15.67 3dxj n ALA 1096CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3dxj s LEU 1097N -5.25 -0.11 0.16 0.00 1.43 -0.84 -4.94 118.68 109.13 3dxj s LEU 1097Ca 0.29 -0.51 -0.31 0.00 -1.03 0.00 0.00 54.13 52.57 3dxj s LEU 1097Cb -0.04 0.38 -0.09 0.00 0.03 0.00 0.00 46.19 46.47 3dxj s LEU 1097CO 0.63 -0.36 1.47 -0.62 0.23 0.00 0.00 176.35 177.70 3dxj s ASP 1098N 2.32 6.71 -0.12 2.29 2.15 -1.26 -2.73 116.67 126.03 3dxj s ASP 1098Ca 0.08 2.50 0.03 0.00 0.43 0.00 0.00 52.55 55.59 3dxj s ASP 1098Cb -0.15 -2.60 0.01 0.00 -0.30 0.00 0.00 42.92 39.88 3dxj s ASP 1098CO -0.22 -0.72 -0.20 -0.69 -0.17 0.00 0.00 175.17 173.16 3dxj s VAL 1099N 0.93 1.88 -0.16 1.11 1.01 -1.26 -5.02 120.40 118.88 3dxj s VAL 1099Ca 0.66 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.76 3dxj s VAL 1099Cb -0.40 -1.66 0.03 0.00 0.00 0.00 0.00 36.38 34.35 3dxj s VAL 1099CO 0.33 0.52 -0.12 -1.58 0.00 0.00 0.00 175.10 174.24 3dxj s GLN 1100N 0.72 2.13 -0.05 2.72 2.00 -1.26 -5.09 119.66 120.83 3dxj s GLN 1100Ca -0.11 -0.63 -0.29 0.00 -2.00 0.00 0.00 55.36 52.34 3dxj s GLN 1100Cb -0.16 -2.17 -0.02 0.00 0.80 0.00 0.00 33.01 31.46 3dxj s GLN 1100CO 0.01 -0.31 0.95 0.95 -0.50 0.00 0.00 175.29 176.40 3dxj s THR 1101N 1.48 4.86 0.24 -0.34 -4.23 -1.26 -4.94 115.64 111.45 3dxj s THR 1101Ca 0.03 1.98 0.05 0.00 -1.18 0.00 0.00 61.69 62.56 3dxj s THR 1101Cb -0.14 -4.28 -0.05 0.00 1.34 0.00 0.00 72.50 69.36 3dxj s THR 1101CO -0.10 0.11 -0.03 -0.76 -0.54 0.00 0.00 174.62 173.30 3dxj s LEU 1102N 1.36 2.33 0.00 4.79 1.43 -1.26 0.12 118.68 127.44 3dxj s LEU 1102Ca 0.49 -1.19 0.00 0.00 -1.03 0.00 0.00 54.13 52.40 3dxj s LEU 1102Cb -0.20 -0.42 0.00 0.00 0.03 0.00 0.00 46.19 45.61 3dxj s LEU 1102CO 0.23 -0.43 0.00 -0.90 0.23 0.00 0.00 176.35 175.48 3dxj n ASP 1103N -0.46 0.65 0.09 2.29 5.68 -1.11 -4.88 116.55 118.82 3dxj n ASP 1103Ca -0.06 -0.39 -0.13 0.00 -0.50 0.00 0.00 54.79 53.71 3dxj n ASP 1103Cb 0.63 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.53 3dxj n ASP 1103CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3dxj h GLU 1104N 0.00 -0.19 0.00 0.11 3.07 -2.02 -1.07 114.58 114.48 3dxj h GLU 1104Ca 0.00 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 3dxj h GLU 1104Cb 0.00 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 27.95 3dxj h GLU 1104CO 0.00 0.02 0.00 1.63 -1.40 0.00 0.00 179.01 179.26 3dxj n LYS 1105N -5.09 0.17 -3.69 2.33 4.76 -1.26 -4.76 118.16 110.61 3dxj n LYS 1105Ca -0.09 0.00 -0.26 0.00 -2.87 0.00 0.00 58.31 55.10 3dxj n LYS 1105Cb 0.17 -1.23 0.06 0.00 -1.84 0.00 0.00 35.03 32.20 3dxj n LYS 1105CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 3dxj n ASP 1106N -0.73 -5.50 -4.42 4.39 8.00 -0.40 -4.98 116.55 112.91 3dxj n ASP 1106Ca 0.02 -0.63 -0.35 0.00 0.71 0.00 0.00 54.79 54.54 3dxj n ASP 1106Cb 0.01 -4.65 -0.13 0.00 -0.02 0.00 0.00 41.12 36.33 3dxj n ASP 1106CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3dxj s ASN 1107N -3.41 4.71 0.60 -2.24 0.01 -1.26 -4.77 114.94 108.58 3dxj s ASN 1107Ca 0.56 -0.24 -0.18 0.00 -0.71 0.00 0.00 52.86 52.30 3dxj s ASN 1107Cb -0.26 -1.80 -0.14 0.00 0.41 0.00 0.00 41.25 39.46 3dxj s ASN 1107CO 0.76 0.05 -0.15 -2.65 -1.51 0.00 0.00 177.10 173.61 3dxj n PRO 1108N 4.32 0.05 -3.87 -0.60 -0.02 -1.26 -2.76 135.00 130.87 3dxj n PRO 1108Ca -0.17 0.02 -0.16 0.00 -2.02 0.00 0.00 63.50 61.17 3dxj n PRO 1108Cb 0.52 -1.10 -0.16 0.00 -0.02 0.00 0.00 33.50 32.74 3dxj n PRO 1108CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3dxj s VAL 1109N -1.97 0.10 -0.21 -1.45 1.01 0.32 -4.85 120.40 113.34 3dxj s VAL 1109Ca 0.56 0.13 -0.27 0.00 0.00 0.00 0.00 61.98 62.40 3dxj s VAL 1109Cb -0.43 -0.21 -0.00 0.00 0.00 0.00 0.00 36.38 35.73 3dxj s VAL 1109CO 0.68 0.13 0.91 -0.62 0.00 0.00 0.00 175.10 176.19 3dxj s ASP 1110N 1.06 6.98 0.22 3.32 -1.08 -1.26 -4.32 116.67 121.59 3dxj s ASP 1110Ca -0.09 1.22 0.24 0.00 -0.52 0.00 0.00 52.55 53.40 3dxj s ASP 1110Cb -0.13 -2.48 0.31 0.00 -1.46 0.00 0.00 42.92 39.15 3dxj s ASP 1110CO -0.02 -0.53 1.36 0.16 0.52 0.00 0.00 175.17 176.66 3dxj h ILE 1111N 5.34 0.00 -0.08 4.11 3.07 -2.00 -3.20 117.51 124.76 3dxj h ILE 1111Ca -0.24 -0.73 0.00 0.00 1.55 0.00 0.00 64.86 65.44 3dxj h ILE 1111Cb 1.10 1.43 0.00 0.00 -0.27 0.00 0.00 36.82 39.08 3dxj h ILE 1111CO 0.89 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 178.48 3dxj n PHE 1112N -2.49 0.08 -4.17 0.16 3.01 -1.26 -4.86 117.46 107.93 3dxj n PHE 1112Ca 0.03 -0.04 -0.38 0.00 1.01 0.00 0.00 57.45 58.07 3dxj n PHE 1112Cb 0.49 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.92 3dxj n PHE 1112CO 0.00 0.00 0.00 -0.85 1.01 0.00 0.00 176.76 176.92 3dxj n GLU 1113N 0.74 -0.58 0.00 -1.08 0.28 -1.21 -3.22 120.64 115.58 3dxj n GLU 1113Ca 0.17 0.06 0.00 0.00 -0.16 0.00 0.00 57.16 57.23 3dxj n GLU 1113Cb 0.46 -2.88 0.00 0.00 1.43 0.00 0.00 31.44 30.45 3dxj n GLU 1113CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3dxj n GLY 1114N -2.31 2.71 0.00 -1.84 0.00 -1.26 -4.89 105.19 97.60 3dxj n GLY 1114Ca -0.21 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.00 3dxj n GLY 1114CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3dxj n LEU 1115N 0.00 0.00 -0.05 0.99 4.77 -1.20 0.06 117.00 121.58 3dxj n LEU 1115Ca 0.00 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.92 3dxj n LEU 1115Cb 0.00 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 3dxj n LEU 1115CO 0.00 0.00 -0.80 0.00 -1.33 0.00 0.00 177.39 175.26 3dxj n ALA 1116N -0.54 1.80 -2.20 -1.18 0.00 -1.26 -4.95 120.51 112.18 3dxj n ALA 1116Ca 0.00 -0.39 -0.43 0.00 0.00 0.00 0.00 53.44 52.62 3dxj n ALA 1116Cb 0.00 0.29 -0.02 0.00 0.00 0.00 0.00 19.45 19.71 3dxj n ALA 1116CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3dxj s SER 1117N -4.89 6.76 0.01 0.00 0.01 0.11 -5.00 113.70 110.70 3dxj s SER 1117Ca -0.12 1.94 0.00 0.00 1.31 0.00 0.00 55.95 59.08 3dxj s SER 1117Cb 0.03 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.73 3dxj s SER 1117CO 0.21 -0.89 0.00 2.29 0.41 0.00 0.00 173.24 175.26 3dxj n LYS 1118N 6.96 2.22 -0.86 12.44 2.85 -1.26 -4.93 118.16 135.58 3dxj n LYS 1118Ca 0.16 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.42 3dxj n LYS 1118Cb 0.44 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.82 3dxj n LYS 1118CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89