#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xti h PHE 47 N 0.00 0.00 -0.05 1.61 -1.00 -1.97 -2.99 116.94 112.55 1xti h PHE 47 Ca 0.00 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.69 1xti h PHE 47 Cb 0.00 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.55 1xti h PHE 47 CO 0.00 0.00 -0.39 -0.09 -1.61 0.00 0.00 178.31 176.22 1xti h ARG 48 N 0.00 0.09 0.00 1.51 2.43 -1.98 -2.52 114.38 113.91 1xti h ARG 48 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1xti h ARG 48 Cb 0.54 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 1xti h ARG 48 CO 0.00 0.47 0.00 -0.25 -1.51 0.00 0.00 179.97 178.68 1xti n ASP 49 N -4.06 0.67 0.00 -3.80 8.00 -1.13 -1.92 116.55 114.31 1xti n ASP 49 Ca -0.02 0.67 0.12 0.00 0.71 0.00 0.00 54.79 56.27 1xti n ASP 49 Cb 0.44 -0.81 0.60 0.00 -0.02 0.00 0.00 41.12 41.33 1xti n ASP 49 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1xti n PHE 50 N -2.24 0.00 -3.68 1.24 0.99 -0.95 -4.91 117.46 107.90 1xti n PHE 50 Ca 0.02 0.00 -0.24 0.00 -0.00 0.00 0.00 57.45 57.23 1xti n PHE 50 Cb 0.23 -0.32 0.03 0.00 -1.00 0.00 0.00 39.48 38.42 1xti n PHE 50 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 1xti n LEU 51 N -1.32 -3.19 -4.94 4.37 4.77 -0.81 -4.93 117.00 110.96 1xti n LEU 51 Ca 0.11 -0.89 -0.24 0.00 -0.03 0.00 0.00 56.01 54.96 1xti n LEU 51 Cb 0.21 -2.59 -0.00 0.00 -2.33 0.00 0.00 43.42 38.71 1xti n LEU 51 CO 0.19 0.40 0.23 -0.76 -1.33 0.00 0.00 177.39 176.12 1xti s LEU 52 N -6.52 3.86 0.40 2.23 1.43 -1.26 -5.04 118.68 113.78 1xti s LEU 52 Ca 0.18 0.44 -0.26 0.00 -1.03 0.00 0.00 54.13 53.47 1xti s LEU 52 Cb -0.05 -3.32 -0.11 0.00 0.03 0.00 0.00 46.19 42.74 1xti s LEU 52 CO 0.83 -0.45 1.17 0.29 0.23 0.00 0.00 176.35 178.42 1xti n LYS 53 N -1.92 1.72 -0.18 1.70 5.02 -1.26 -4.70 118.16 118.53 1xti n LYS 53 Ca -0.02 0.61 -0.03 0.00 -2.02 0.00 0.00 58.31 56.84 1xti n LYS 53 Cb 0.57 -2.22 0.03 0.00 -0.02 0.00 0.00 35.03 33.39 1xti n LYS 53 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 1xti h PRO 54 N 1.96 -0.10 0.00 1.97 0.11 -1.99 0.53 132.00 134.49 1xti h PRO 54 Ca -0.46 0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 1xti h PRO 54 Cb 1.31 0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.44 1xti h PRO 54 CO 0.59 -0.06 -0.08 1.05 -0.21 0.00 0.00 178.00 179.29 1xti h GLU 55 N -0.10 0.00 0.04 1.05 9.09 -1.90 0.06 114.58 122.81 1xti h GLU 55 Ca 0.25 0.00 -0.12 0.00 0.05 0.00 0.00 59.36 59.54 1xti h GLU 55 Cb 0.50 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.61 1xti h GLU 55 CO -0.62 0.08 -0.49 1.25 0.05 0.00 0.00 179.01 179.28 1xti h LEU 56 N 0.00 0.37 -1.27 3.06 5.85 -1.26 -2.86 115.31 119.20 1xti h LEU 56 Ca -0.00 -0.84 -0.03 0.00 0.84 0.00 0.00 57.88 57.85 1xti h LEU 56 Cb 0.28 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1xti h LEU 56 CO 0.01 1.17 0.16 0.25 -0.34 0.00 0.00 178.44 179.69 1xti h LEU 57 N -0.39 0.61 -0.36 2.25 5.85 -0.63 -1.81 115.31 120.83 1xti h LEU 57 Ca -0.07 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.58 1xti h LEU 57 Cb 1.27 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.13 1xti h LEU 57 CO 0.09 0.57 0.23 0.03 -0.34 0.00 0.00 178.44 179.02 1xti h ARG 58 N 0.66 0.48 -0.39 1.25 3.08 -1.01 -1.55 114.38 116.90 1xti h ARG 58 Ca 0.16 -0.03 -0.09 0.00 0.07 0.00 0.00 59.98 60.09 1xti h ARG 58 Cb 0.17 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 1xti h ARG 58 CO -0.01 0.33 -0.12 0.00 -1.07 0.00 0.00 179.97 179.09 1xti h ALA 59 N 1.12 1.06 -0.59 0.04 0.00 -1.22 -2.48 119.26 117.20 1xti h ALA 59 Ca 0.13 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.74 1xti h ALA 59 Cb -0.04 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1xti h ALA 59 CO -0.03 0.57 0.38 0.82 0.00 0.00 0.00 179.25 181.00 1xti h ILE 60 N 0.63 1.13 -0.27 0.00 2.04 -0.87 -1.74 117.51 118.43 1xti h ILE 60 Ca 0.11 -0.27 -0.05 0.00 1.00 0.00 0.00 64.86 65.65 1xti h ILE 60 Cb 0.57 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 1xti h ILE 60 CO 0.04 0.14 -0.06 0.58 0.00 0.00 0.00 178.15 178.84 1xti h VAL 61 N 0.78 1.20 0.00 1.67 2.07 -1.05 -2.73 116.25 118.19 1xti h VAL 61 Ca 0.22 -0.83 -0.09 0.00 0.82 0.00 0.00 66.70 66.82 1xti h VAL 61 Cb -0.07 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1xti h VAL 61 CO -0.06 0.27 -0.43 0.44 0.02 0.00 0.00 177.57 177.81 1xti h ASP 62 N 0.41 0.00 -0.21 0.57 5.19 -0.89 -3.27 116.42 118.21 1xti h ASP 62 Ca 0.08 0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 56.29 1xti h ASP 62 Cb 0.37 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.89 1xti h ASP 62 CO 0.02 0.43 -0.68 0.00 -3.12 0.00 0.00 179.24 175.89 1xti n GLY 64 N 0.56 1.96 3.53 0.00 0.00 -1.22 -4.71 105.19 105.30 1xti n GLY 64 Ca -0.06 -0.39 -0.55 0.00 0.00 0.00 0.00 46.02 45.02 1xti n GLY 64 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1xti n PHE 65 N 0.00 0.91 0.26 1.61 1.16 -1.26 -4.88 117.46 115.26 1xti n PHE 65 Ca 0.00 0.89 0.03 0.00 -1.87 0.00 0.00 57.45 56.50 1xti n PHE 65 Cb 0.00 -2.18 -0.04 0.00 -1.61 0.00 0.00 39.48 35.65 1xti n PHE 65 CO 0.00 0.00 0.00 0.39 -1.87 0.00 0.00 176.76 175.28 1xti n GLU 66 N 1.82 3.82 -4.36 3.97 1.02 -1.26 -4.78 120.64 120.87 1xti n GLU 66 Ca 0.19 -0.01 -0.29 0.00 -0.02 0.00 0.00 57.16 57.02 1xti n GLU 66 Cb 0.14 -0.89 -0.17 0.00 -0.02 0.00 0.00 31.44 30.50 1xti n GLU 66 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1xti s HIS 67 N -1.82 2.13 0.59 -0.32 3.76 -1.26 -4.36 115.29 114.00 1xti s HIS 67 Ca 0.02 -1.07 -0.19 0.00 -0.15 0.00 0.00 55.06 53.66 1xti s HIS 67 Cb 0.05 -1.53 -0.03 0.00 1.11 0.00 0.00 32.58 32.18 1xti s HIS 67 CO 0.28 -0.55 1.25 -2.14 -0.85 0.00 0.00 174.74 172.73 1xti s PRO 68 N 1.10 2.95 0.77 8.40 0.02 -1.26 -5.03 135.00 141.95 1xti s PRO 68 Ca -0.03 1.93 -0.09 0.00 0.02 0.00 0.00 61.00 62.83 1xti s PRO 68 Cb -0.14 -1.98 0.09 0.00 0.02 0.00 0.00 34.50 32.49 1xti s PRO 68 CO -0.04 -1.25 1.10 -1.54 -0.33 0.00 0.00 177.00 174.94 1xti s SER 69 N -1.45 4.41 0.20 2.53 1.04 -1.26 -4.89 113.70 114.28 1xti s SER 69 Ca 0.77 0.42 -0.07 0.00 0.48 0.00 0.00 55.95 57.55 1xti s SER 69 Cb -0.33 -0.91 0.13 0.00 0.10 0.00 0.00 66.02 65.01 1xti s SER 69 CO 0.37 -1.89 1.67 -0.08 0.98 0.00 0.00 173.24 174.29 1xti h GLU 70 N -0.87 1.02 0.00 4.02 4.57 -1.96 -2.25 114.58 119.11 1xti h GLU 70 Ca -0.44 -0.31 -0.02 0.00 -1.18 0.00 0.00 59.36 57.42 1xti h GLU 70 Cb 1.30 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 29.79 1xti h GLU 70 CO 0.56 0.99 -0.08 -0.24 -1.18 0.00 0.00 179.01 179.06 1xti h VAL 71 N 0.94 0.96 -0.10 0.32 3.04 -1.94 -0.87 116.25 118.60 1xti h VAL 71 Ca 0.17 -0.28 -0.23 0.00 -1.01 0.00 0.00 66.70 65.36 1xti h VAL 71 Cb 0.53 1.15 0.01 0.00 -2.01 0.00 0.00 31.29 30.98 1xti h VAL 71 CO 0.03 0.08 -0.82 1.56 -1.01 0.00 0.00 177.57 177.40 1xti h GLN 72 N 0.00 0.72 -0.31 4.17 4.20 -1.72 -1.36 115.11 120.82 1xti h GLN 72 Ca -0.00 -0.65 -0.08 0.00 0.06 0.00 0.00 58.65 57.98 1xti h GLN 72 Cb 0.15 0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.07 1xti h GLN 72 CO 0.01 1.25 -0.16 0.45 -0.67 0.00 0.00 178.83 179.71 1xti h HIS 73 N 0.42 0.59 -0.12 2.96 3.86 -0.82 -1.79 115.15 120.25 1xti h HIS 73 Ca -0.08 -0.10 -0.20 0.00 -1.16 0.00 0.00 60.37 58.83 1xti h HIS 73 Cb 1.46 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 29.78 1xti h HIS 73 CO 0.10 0.67 -0.75 0.93 0.86 0.00 0.00 177.93 179.75 1xti h GLU 74 N 0.49 0.60 0.00 2.45 4.39 -1.15 -3.42 114.58 117.95 1xti h GLU 74 Ca 0.08 -0.49 -0.45 0.00 0.34 0.00 0.00 59.36 58.85 1xti h GLU 74 Cb 0.56 0.10 -0.07 0.00 -0.10 0.00 0.00 28.75 29.24 1xti h GLU 74 CO 0.04 1.11 -2.52 0.00 -1.16 0.00 0.00 179.01 176.47 1xti h ILE 76 N -0.73 0.30 -0.31 0.00 2.04 -1.54 -0.79 117.51 116.48 1xti h ILE 76 Ca -0.67 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.26 1xti h ILE 76 Cb 1.69 0.30 -0.08 0.00 -0.74 0.00 0.00 36.82 37.99 1xti h ILE 76 CO -0.34 0.00 -0.31 -0.65 0.00 0.00 0.00 178.15 176.85 1xti h PRO 77 N -0.07 -0.28 0.00 2.37 0.11 -1.80 -1.21 132.00 131.11 1xti h PRO 77 Ca 0.27 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.40 1xti h PRO 77 Cb 0.50 0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.67 1xti h PRO 77 CO -0.64 -0.18 0.00 1.96 -0.21 0.00 0.00 178.00 178.92 1xti h GLN 78 N -0.29 0.00 -0.12 1.05 1.08 -1.81 -3.21 115.11 111.80 1xti h GLN 78 Ca 0.15 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.20 1xti h GLN 78 Cb 0.53 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.95 1xti h GLN 78 CO -0.47 0.00 -0.57 0.00 -0.95 0.00 0.00 178.83 176.84 1xti h ALA 79 N 2.05 0.78 0.00 3.87 0.00 -0.25 -2.45 119.26 123.26 1xti h ALA 79 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1xti h ALA 79 Cb 0.87 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1xti h ALA 79 CO 0.00 0.70 0.00 0.44 0.00 0.00 0.00 179.25 180.39 1xti n ILE 80 N -3.92 0.09 1.55 0.00 -5.35 -0.54 -2.22 119.36 108.96 1xti n ILE 80 Ca -0.03 0.02 0.14 0.00 -0.27 0.00 0.00 62.75 62.62 1xti n ILE 80 Cb 0.61 -0.55 0.60 0.00 -1.74 0.00 0.00 39.64 38.56 1xti n ILE 80 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1xti n LEU 81 N -1.45 1.00 0.00 7.28 4.32 -1.03 -4.86 117.00 122.26 1xti n LEU 81 Ca 0.08 -0.30 0.00 0.00 -0.02 0.00 0.00 56.01 55.77 1xti n LEU 81 Cb 0.30 -0.04 0.00 0.00 -1.62 0.00 0.00 43.42 42.06 1xti n LEU 81 CO 0.25 0.17 0.00 0.61 -1.22 0.00 0.00 177.39 177.20 1xti n GLY 82 N 1.18 0.58 3.77 -0.72 0.00 -0.94 -5.04 105.19 104.02 1xti n GLY 82 Ca 0.18 -0.35 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 1xti n GLY 82 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1xti s MET 83 N -0.78 4.36 0.31 1.61 -1.94 -0.95 -4.69 119.30 117.23 1xti s MET 83 Ca 0.00 1.60 -0.29 0.00 -1.71 0.00 0.00 55.69 55.29 1xti s MET 83 Cb 0.00 -2.79 -0.10 0.00 2.01 0.00 0.00 34.83 33.95 1xti s MET 83 CO 0.00 0.01 1.19 -0.51 -0.01 0.00 0.00 175.02 175.70 1xti s ASP 84 N -1.33 6.99 -0.02 3.03 1.11 -1.26 -4.68 116.67 120.50 1xti s ASP 84 Ca 0.53 2.45 0.01 0.00 0.18 0.00 0.00 52.55 55.71 1xti s ASP 84 Cb -0.25 -2.63 0.01 0.00 1.07 0.00 0.00 42.92 41.11 1xti s ASP 84 CO 0.32 -0.36 -0.04 -0.69 1.18 0.00 0.00 175.17 175.58 1xti s VAL 85 N -1.18 0.39 -0.27 -1.27 1.01 -0.66 -0.85 120.40 117.56 1xti s VAL 85 Ca 0.48 -0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.34 1xti s VAL 85 Cb -0.35 -0.38 0.06 0.00 0.00 0.00 0.00 36.38 35.71 1xti s VAL 85 CO 0.45 0.15 -0.08 -0.22 0.00 0.00 0.00 175.10 175.40 1xti s LEU 86 N 0.33 3.62 -0.14 3.92 2.96 -0.53 -0.32 118.68 128.52 1xti s LEU 86 Ca -0.04 -1.42 0.00 0.00 -0.22 0.00 0.00 54.13 52.46 1xti s LEU 86 Cb -0.07 -1.59 0.02 0.00 0.50 0.00 0.00 46.19 45.05 1xti s LEU 86 CO -0.00 -0.22 -0.13 0.00 -1.32 0.00 0.00 176.35 174.68 1xti s GLN 88 N 1.50 2.88 0.00 0.00 0.74 -0.44 -1.56 119.66 122.78 1xti s GLN 88 Ca 0.04 -1.06 0.08 0.00 0.05 0.00 0.00 55.36 54.47 1xti s GLN 88 Cb -0.13 -3.84 0.07 0.00 1.10 0.00 0.00 33.01 30.21 1xti s GLN 88 CO -0.09 -0.73 0.77 0.00 -0.55 0.00 0.00 175.29 174.69 1xti n ALA 89 N 5.07 2.46 -3.98 1.58 0.00 -0.76 -1.51 120.51 123.37 1xti n ALA 89 Ca -0.11 -0.60 -0.37 0.00 0.00 0.00 0.00 53.44 52.36 1xti n ALA 89 Cb 0.46 -0.26 0.01 0.00 0.00 0.00 0.00 19.45 19.67 1xti n ALA 89 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1xti n LYS 90 N 0.41 -0.43 0.00 0.00 4.76 -1.17 -4.72 118.16 117.01 1xti n LYS 90 Ca 0.05 -0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.47 1xti n LYS 90 Cb 0.20 -1.74 0.00 0.00 -1.84 0.00 0.00 35.03 31.66 1xti n LYS 90 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1xti n SER 91 N -1.54 0.00 -0.02 4.39 2.88 -1.26 -4.48 113.62 113.59 1xti n SER 91 Ca -0.10 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.44 1xti n SER 91 Cb 0.45 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.91 1xti n SER 91 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1xti n GLY 92 N 0.00 0.48 3.47 0.46 0.00 -1.26 -4.90 105.19 103.44 1xti n GLY 92 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1xti n GLY 92 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1xti n MET 93 N 0.00 0.03 -1.38 1.61 0.00 -1.26 -2.78 117.12 113.35 1xti n MET 93 Ca 0.00 -1.15 -0.13 0.00 0.00 0.00 0.00 57.70 56.42 1xti n MET 93 Cb 0.24 -2.88 -0.06 0.00 0.00 0.00 0.00 33.22 30.52 1xti n MET 93 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1xti n GLY 94 N 5.31 1.37 0.10 3.17 0.00 -1.26 -4.74 105.19 109.15 1xti n GLY 94 Ca 0.39 -0.41 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 1xti n GLY 94 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1xti h LYS 95 N 0.01 0.21 -0.11 1.61 3.64 -1.90 -3.00 116.57 117.02 1xti h LYS 95 Ca -0.26 -0.09 -0.06 0.00 -1.27 0.00 0.00 60.65 58.96 1xti h LYS 95 Cb 0.85 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.66 1xti h LYS 95 CO 0.39 0.58 -0.19 1.79 -2.27 0.00 0.00 179.45 179.75 1xti h THR 96 N -0.17 1.19 0.00 1.00 1.35 -1.91 -1.07 112.91 113.30 1xti h THR 96 Ca 0.02 -0.89 -0.01 0.00 -0.55 0.00 0.00 66.41 64.98 1xti h THR 96 Cb 0.52 1.32 -0.00 0.00 -1.73 0.00 0.00 68.15 68.27 1xti h THR 96 CO 0.02 0.27 -0.05 0.00 -0.25 0.00 0.00 175.52 175.51 1xti h ALA 97 N 1.64 1.24 0.54 6.62 0.00 -1.90 -1.65 119.26 125.75 1xti h ALA 97 Ca 0.03 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1xti h ALA 97 Cb 0.44 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.23 1xti h ALA 97 CO 0.03 0.06 -0.26 0.28 0.00 0.00 0.00 179.25 179.35 1xti h VAL 98 N 0.00 0.46 0.00 0.00 2.07 -1.05 -0.71 116.25 117.02 1xti h VAL 98 Ca -0.00 -0.05 -0.07 0.00 0.82 0.00 0.00 66.70 67.40 1xti h VAL 98 Cb 0.18 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 1xti h VAL 98 CO 0.01 0.01 -0.34 2.19 0.02 0.00 0.00 177.57 179.45 1xti h PHE 99 N -0.76 0.00 -0.13 1.57 -5.15 -1.59 -2.17 116.94 108.71 1xti h PHE 99 Ca -0.07 0.00 -0.07 0.00 -0.20 0.00 0.00 57.97 57.62 1xti h PHE 99 Cb 0.57 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.74 1xti h PHE 99 CO -0.03 0.34 -0.20 0.28 -2.00 0.00 0.00 178.31 176.71 1xti h VAL 100 N 0.00 1.37 -0.27 0.88 2.07 -1.25 -1.29 116.25 117.76 1xti h VAL 100 Ca -0.00 -1.43 -0.07 0.00 0.82 0.00 0.00 66.70 66.02 1xti h VAL 100 Cb 1.20 2.00 -0.01 0.00 -1.52 0.00 0.00 31.29 32.96 1xti h VAL 100 CO 0.04 0.42 -0.10 -0.07 0.02 0.00 0.00 177.57 177.88 1xti h LEU 101 N -0.05 0.57 -0.49 2.57 3.38 -1.18 -2.03 115.31 118.08 1xti h LEU 101 Ca 0.01 -0.39 0.02 0.00 0.09 0.00 0.00 57.88 57.61 1xti h LEU 101 Cb 0.76 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 1xti h LEU 101 CO 0.05 0.83 0.30 0.00 0.09 0.00 0.00 178.44 179.70 1xti h ALA 102 N 0.76 0.62 -0.36 1.53 0.00 -1.42 0.61 119.26 120.99 1xti h ALA 102 Ca 0.06 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 1xti h ALA 102 Cb 0.60 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1xti h ALA 102 CO 0.03 0.01 -0.42 1.79 0.00 0.00 0.00 179.25 180.66 1xti h THR 103 N 0.60 1.27 -0.61 0.00 1.35 -1.25 -2.79 112.91 111.48 1xti h THR 103 Ca 0.19 -1.59 -0.04 0.00 -0.55 0.00 0.00 66.41 64.42 1xti h THR 103 Cb -0.01 1.43 -0.03 0.00 -1.73 0.00 0.00 68.15 67.81 1xti h THR 103 CO -0.07 0.53 0.23 -0.07 -0.25 0.00 0.00 175.52 175.89 1xti h LEU 104 N 0.74 0.85 -0.87 3.87 3.38 -1.12 0.15 115.31 122.31 1xti h LEU 104 Ca 0.05 -0.18 0.07 0.00 0.09 0.00 0.00 57.88 57.92 1xti h LEU 104 Cb 1.01 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 41.48 1xti h LEU 104 CO 0.10 0.80 0.53 -0.61 0.09 0.00 0.00 178.44 179.35 1xti h GLN 105 N 0.85 0.92 0.00 1.13 5.75 -0.82 -2.62 115.11 120.33 1xti h GLN 105 Ca 0.20 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.65 1xti h GLN 105 Cb 0.22 -0.21 0.00 0.00 1.07 0.00 0.00 27.48 28.56 1xti h GLN 105 CO -0.01 0.61 -0.64 1.04 -2.65 0.00 0.00 178.83 177.18 1xti n GLN 106 N -4.64 0.19 -1.67 1.69 6.02 -1.02 -4.93 117.38 113.02 1xti n GLN 106 Ca 0.13 0.04 -0.48 0.00 -0.01 0.00 0.00 57.00 56.68 1xti n GLN 106 Cb 0.21 -1.61 -0.05 0.00 1.02 0.00 0.00 30.24 29.81 1xti n GLN 106 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1xti n LEU 107 N -1.87 3.02 -3.93 1.08 7.94 0.49 -4.94 117.00 118.78 1xti n LEU 107 Ca 0.04 1.05 -0.29 0.00 -1.11 0.00 0.00 56.01 55.70 1xti n LEU 107 Cb 0.40 -1.37 -0.12 0.00 0.53 0.00 0.00 43.42 42.87 1xti n LEU 107 CO 0.36 -0.30 -0.02 -1.61 -1.11 0.00 0.00 177.39 174.71 1xti s GLU 108 N 2.02 2.48 0.07 1.96 2.02 -1.26 -5.04 118.70 120.94 1xti s GLU 108 Ca 0.85 -3.23 -0.37 0.00 0.02 0.00 0.00 54.97 52.24 1xti s GLU 108 Cb -0.73 -3.47 -0.16 0.00 0.10 0.00 0.00 34.13 29.87 1xti s GLU 108 CO 0.45 -1.26 1.41 -2.30 0.02 0.00 0.00 175.26 173.58 1xti n PRO 109 N 2.18 1.29 -3.91 0.39 -0.02 -1.26 -5.00 135.00 128.67 1xti n PRO 109 Ca 0.18 0.47 -0.28 0.00 -2.02 0.00 0.00 63.50 61.84 1xti n PRO 109 Cb 0.35 -2.13 -0.17 0.00 -0.02 0.00 0.00 33.50 31.53 1xti n PRO 109 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1xti s VAL 110 N 0.80 1.15 0.13 -1.45 1.01 -1.26 -5.10 120.40 115.67 1xti s VAL 110 Ca 0.85 -0.54 -0.35 0.00 0.00 0.00 0.00 61.98 61.93 1xti s VAL 110 Cb -0.92 -1.25 -0.15 0.00 0.00 0.00 0.00 36.38 34.06 1xti s VAL 110 CO 0.47 0.23 1.45 0.41 0.00 0.00 0.00 175.10 177.65 1xti n THR 111 N 4.88 0.07 -1.01 3.92 -1.04 -1.26 -1.12 114.28 118.71 1xti n THR 111 Ca -0.13 -0.02 -0.00 0.00 -2.04 0.00 0.00 64.05 61.86 1xti n THR 111 Cb 0.49 -1.17 -0.00 0.00 -1.82 0.00 0.00 70.33 67.82 1xti n THR 111 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1xti n GLY 112 N 2.90 0.39 3.15 3.41 0.00 -1.26 -5.01 105.19 108.76 1xti n GLY 112 Ca 0.17 -0.05 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 1xti n GLY 112 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1xti s GLN 113 N -0.69 2.18 -0.34 1.61 0.74 -0.28 -4.87 119.66 118.01 1xti s GLN 113 Ca 0.00 -0.67 -0.21 0.00 0.05 0.00 0.00 55.36 54.53 1xti s GLN 113 Cb 0.00 -1.78 -0.00 0.00 1.10 0.00 0.00 33.01 32.33 1xti s GLN 113 CO 0.00 0.19 0.67 0.08 -0.55 0.00 0.00 175.29 175.68 1xti s VAL 114 N 0.24 4.88 -0.03 1.34 1.01 -1.24 -4.10 120.40 122.49 1xti s VAL 114 Ca -0.10 0.76 0.22 0.00 0.00 0.00 0.00 61.98 62.86 1xti s VAL 114 Cb -0.14 -4.08 -0.34 0.00 0.00 0.00 0.00 36.38 31.82 1xti s VAL 114 CO 0.04 -0.27 0.48 -1.20 0.00 0.00 0.00 175.10 174.15 1xti n SER 115 N 6.06 0.00 -4.05 3.32 7.64 0.82 -3.53 113.62 123.88 1xti n SER 115 Ca -0.00 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.64 1xti n SER 115 Cb 0.49 1.99 -0.16 0.00 -1.01 0.00 0.00 64.21 65.51 1xti n SER 115 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1xti s VAL 116 N -3.51 1.15 -0.10 0.44 1.01 -0.86 -0.11 120.40 118.41 1xti s VAL 116 Ca -0.08 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.40 1xti s VAL 116 Cb 0.14 -1.03 0.02 0.00 0.00 0.00 0.00 36.38 35.51 1xti s VAL 116 CO 0.91 0.35 -0.14 -0.22 0.00 0.00 0.00 175.10 176.00 1xti s LEU 117 N 0.41 1.66 -0.08 3.92 2.96 -0.44 -0.78 118.68 126.33 1xti s LEU 117 Ca -0.10 -0.40 0.03 0.00 -0.22 0.00 0.00 54.13 53.45 1xti s LEU 117 Cb -0.13 -1.03 0.01 0.00 0.50 0.00 0.00 46.19 45.53 1xti s LEU 117 CO 0.03 0.01 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.19 1xti s VAL 118 N 1.01 1.59 0.04 1.68 1.01 0.06 -0.39 120.40 125.38 1xti s VAL 118 Ca -0.07 -0.74 0.04 0.00 0.00 0.00 0.00 61.98 61.21 1xti s VAL 118 Cb -0.15 -1.40 -0.02 0.00 0.00 0.00 0.00 36.38 34.81 1xti s VAL 118 CO -0.01 0.46 -0.13 -0.04 0.00 0.00 0.00 175.10 175.37 1xti s MET 119 N 0.51 0.86 0.29 2.72 -1.94 -0.06 -1.57 119.30 120.11 1xti s MET 119 Ca -0.17 -0.71 -0.01 0.00 -1.71 0.00 0.00 55.69 53.10 1xti s MET 119 Cb -0.17 -0.84 -0.02 0.00 2.01 0.00 0.00 34.83 35.81 1xti s MET 119 CO 0.06 0.21 0.33 0.00 -0.01 0.00 0.00 175.02 175.61 1xti h HIS 121 N 2.26 0.24 -3.32 0.00 2.76 -1.81 -3.37 115.15 111.92 1xti h HIS 121 Ca -0.29 -0.17 -0.55 0.00 -2.20 0.00 0.00 60.37 57.16 1xti h HIS 121 Cb 1.24 -0.01 -0.03 0.00 1.55 0.00 0.00 27.41 30.16 1xti h HIS 121 CO 1.13 1.17 0.48 0.99 -1.30 0.00 0.00 177.93 180.40 1xti s THR 122 N -2.32 4.77 0.18 6.26 2.01 -1.26 -4.93 115.64 120.35 1xti s THR 122 Ca -0.17 2.01 -0.13 0.00 0.31 0.00 0.00 61.69 63.70 1xti s THR 122 Cb -0.01 -4.29 0.07 0.00 0.01 0.00 0.00 72.50 68.29 1xti s THR 122 CO 0.75 0.08 1.82 -0.09 -0.69 0.00 0.00 174.62 176.49 1xti h ARG 123 N 6.97 0.64 -0.80 4.92 2.43 -1.99 -1.62 114.38 124.92 1xti h ARG 123 Ca -0.36 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 58.75 1xti h ARG 123 Cb 1.18 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 30.55 1xti h ARG 123 CO 0.81 0.42 0.43 1.49 -1.51 0.00 0.00 179.97 181.61 1xti h GLU 124 N 0.66 1.12 -0.32 0.20 4.57 -1.99 -1.76 114.58 117.05 1xti h GLU 124 Ca 0.21 -0.13 -0.12 0.00 -1.18 0.00 0.00 59.36 58.13 1xti h GLU 124 Cb -0.00 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 28.36 1xti h GLU 124 CO -0.08 0.83 -0.31 1.25 -1.18 0.00 0.00 179.01 179.52 1xti h LEU 125 N 1.13 0.71 -0.37 1.64 5.85 -1.85 -1.11 115.31 121.31 1xti h LEU 125 Ca 0.28 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1xti h LEU 125 Cb 0.04 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 1xti h LEU 125 CO -0.04 0.97 0.21 0.00 -0.34 0.00 0.00 178.44 179.24 1xti h ALA 126 N 1.07 0.47 -0.18 1.25 0.00 -0.88 0.70 119.26 121.70 1xti h ALA 126 Ca 0.07 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1xti h ALA 126 Cb 0.81 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1xti h ALA 126 CO 0.07 -0.01 -0.01 0.35 0.00 0.00 0.00 179.25 179.64 1xti h PHE 127 N 0.48 -0.04 -0.41 0.00 3.57 -1.02 -1.69 116.94 117.83 1xti h PHE 127 Ca 0.13 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.56 1xti h PHE 127 Cb 0.04 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 1xti h PHE 127 CO -0.03 -0.04 -0.09 1.96 -2.23 0.00 0.00 178.31 177.88 1xti h GLN 128 N 0.04 0.71 -0.92 1.11 1.08 -0.92 -2.31 115.11 113.89 1xti h GLN 128 Ca 0.08 -0.22 -0.01 0.00 -1.45 0.00 0.00 58.65 57.06 1xti h GLN 128 Cb 0.11 -0.07 -0.04 0.00 -0.05 0.00 0.00 27.48 27.43 1xti h GLN 128 CO -0.16 0.79 0.54 0.82 -0.95 0.00 0.00 178.83 179.87 1xti h ILE 129 N 0.65 1.26 -0.67 2.54 2.04 -0.50 -1.30 117.51 121.53 1xti h ILE 129 Ca 0.12 -0.58 -0.06 0.00 1.00 0.00 0.00 64.86 65.33 1xti h ILE 129 Cb 0.54 -0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 36.56 1xti h ILE 129 CO 0.03 0.28 0.20 0.77 0.00 0.00 0.00 178.15 179.42 1xti h SER 130 N 1.28 0.99 0.49 1.72 4.64 -0.87 -1.58 113.55 120.22 1xti h SER 130 Ca 0.33 -0.22 -0.05 0.00 -0.47 0.00 0.00 61.79 61.38 1xti h SER 130 Cb -0.03 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.79 1xti h SER 130 CO -0.06 0.95 -0.24 0.11 -0.87 0.00 0.00 176.83 176.72 1xti h LYS 131 N 0.99 0.00 -0.08 4.77 1.79 -0.96 -1.77 116.57 121.31 1xti h LYS 131 Ca 0.22 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 58.49 1xti h LYS 131 Cb 0.32 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.97 1xti h LYS 131 CO -0.00 0.24 -0.77 1.49 -1.08 0.00 0.00 179.45 179.32 1xti h GLU 132 N 0.00 0.49 -0.57 3.15 4.81 -0.42 -1.54 114.58 120.49 1xti h GLU 132 Ca -0.00 -0.42 -0.06 0.00 -0.13 0.00 0.00 59.36 58.75 1xti h GLU 132 Cb 0.55 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.00 1xti h GLU 132 CO 0.03 1.05 0.12 1.88 -0.73 0.00 0.00 179.01 181.36 1xti h TYR 133 N 0.32 0.98 0.26 0.92 -1.99 -0.81 -1.66 116.97 114.99 1xti h TYR 133 Ca -0.04 -0.12 -0.00 0.00 2.00 0.00 0.00 58.73 60.56 1xti h TYR 133 Cb 1.37 -0.27 -0.01 0.00 2.00 0.00 0.00 36.73 39.82 1xti h TYR 133 CO 0.06 0.85 -0.18 0.93 -0.00 0.00 0.00 178.16 179.81 1xti h GLU 134 N 0.83 -0.42 -0.48 4.88 5.08 -1.19 -1.06 114.58 122.22 1xti h GLU 134 Ca 0.18 0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.62 1xti h GLU 134 Cb 0.37 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.67 1xti h GLU 134 CO 0.01 -0.28 0.19 0.00 -1.00 0.00 0.00 179.01 177.93 1xti h ARG 135 N -0.43 0.37 0.00 2.33 3.08 -1.15 -2.61 114.38 115.96 1xti h ARG 135 Ca -0.02 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1xti h ARG 135 Cb 0.37 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.34 1xti h ARG 135 CO 0.01 0.24 0.00 1.19 -1.07 0.00 0.00 179.97 180.34 1xti n PHE 136 N -4.97 0.90 -0.72 3.04 3.72 -0.64 -3.11 117.46 115.68 1xti n PHE 136 Ca 0.04 0.28 0.08 0.00 -0.05 0.00 0.00 57.45 57.80 1xti n PHE 136 Cb 0.17 -0.95 0.33 0.00 -0.94 0.00 0.00 39.48 38.09 1xti n PHE 136 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1xti n SER 137 N -2.25 4.68 -0.09 4.37 3.41 -0.41 -4.58 113.62 118.75 1xti n SER 137 Ca 0.05 -2.63 0.21 0.00 -0.26 0.00 0.00 58.87 56.23 1xti n SER 137 Cb 0.39 -0.57 0.65 0.00 -0.26 0.00 0.00 64.21 64.42 1xti n SER 137 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1xti h LYS 138 N 3.45 0.11 -0.50 4.33 3.64 -1.44 0.29 116.57 126.46 1xti h LYS 138 Ca 0.00 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.32 1xti h LYS 138 Cb 1.52 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 33.28 1xti h LYS 138 CO 0.27 0.08 0.05 0.66 -2.27 0.00 0.00 179.45 178.24 1xti n TYR 139 N -4.39 1.77 -3.20 1.91 4.01 -1.26 -4.42 117.16 111.58 1xti n TYR 139 Ca 0.13 -0.91 -0.25 0.00 -0.16 0.00 0.00 57.90 56.71 1xti n TYR 139 Cb 0.67 -0.49 -0.06 0.00 -0.31 0.00 0.00 39.34 39.16 1xti n TYR 139 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 1xti n MET 140 N 0.04 2.08 0.13 -0.72 2.81 0.09 -4.85 117.12 116.70 1xti n MET 140 Ca 0.29 -4.20 0.12 0.00 -1.81 0.00 0.00 57.70 52.10 1xti n MET 140 Cb 1.14 -1.94 0.26 0.00 -0.71 0.00 0.00 33.22 31.97 1xti n MET 140 CO 0.00 0.00 0.00 -1.35 1.51 0.00 0.00 175.97 176.13 1xti h PRO 141 N 3.61 0.00 0.00 0.03 0.11 -1.77 0.01 132.00 133.99 1xti h PRO 141 Ca 0.14 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.20 1xti h PRO 141 Cb 0.72 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.82 1xti h PRO 141 CO 0.70 0.00 -0.99 -0.91 -0.21 0.00 0.00 178.00 176.59 1xti h ASN 142 N 0.00 0.00 -2.75 -2.05 2.35 -1.94 -3.47 115.58 107.72 1xti h ASN 142 Ca 0.18 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.40 1xti h ASN 142 Cb 2.17 0.00 0.02 0.00 0.05 0.00 0.00 38.32 40.56 1xti h ASN 142 CO -0.00 0.17 0.94 -0.69 -1.65 0.00 0.00 177.43 176.20 1xti s VAL 143 N -3.22 3.07 -0.05 2.81 1.01 -0.01 -4.99 120.40 119.02 1xti s VAL 143 Ca -0.00 0.58 0.05 0.00 0.00 0.00 0.00 61.98 62.61 1xti s VAL 143 Cb 0.09 -3.37 -0.02 0.00 0.00 0.00 0.00 36.38 33.08 1xti s VAL 143 CO 0.78 0.01 -0.20 -0.54 0.00 0.00 0.00 175.10 175.15 1xti s LYS 144 N 2.29 2.45 0.05 2.72 1.02 -1.26 -5.01 119.74 122.01 1xti s LYS 144 Ca 0.72 -0.82 0.04 0.00 0.02 0.00 0.00 55.97 55.93 1xti s LYS 144 Cb -0.39 -2.24 -0.03 0.00 -0.52 0.00 0.00 37.83 34.65 1xti s LYS 144 CO 0.31 0.52 -0.12 0.08 -0.92 0.00 0.00 175.35 175.22 1xti s VAL 145 N -0.48 0.90 -0.00 3.17 1.01 -1.26 -1.18 120.40 122.56 1xti s VAL 145 Ca 0.06 -1.15 -0.10 0.00 0.00 0.00 0.00 61.98 60.79 1xti s VAL 145 Cb -0.12 -0.89 0.01 0.00 0.00 0.00 0.00 36.38 35.38 1xti s VAL 145 CO 0.01 -0.23 0.19 0.00 0.00 0.00 0.00 175.10 175.08 1xti s ALA 146 N -1.20 -0.47 -0.06 5.51 0.00 -0.89 -4.96 121.76 119.68 1xti s ALA 146 Ca -0.04 -0.00 0.05 0.00 0.00 0.00 0.00 51.96 51.97 1xti s ALA 146 Cb -0.09 0.11 -0.01 0.00 0.00 0.00 0.00 23.12 23.13 1xti s ALA 146 CO 0.01 -0.23 -0.22 0.54 0.00 0.00 0.00 175.76 175.86 1xti s VAL 147 N -1.44 1.85 -0.07 0.00 0.11 -1.26 -1.27 120.40 118.33 1xti s VAL 147 Ca -0.14 -0.94 0.03 0.00 -2.93 0.00 0.00 61.98 58.00 1xti s VAL 147 Cb -0.07 -1.58 0.00 0.00 -1.53 0.00 0.00 36.38 33.21 1xti s VAL 147 CO 0.02 0.52 -0.17 -0.36 -3.33 0.00 0.00 175.10 171.78 1xti s PHE 148 N -0.02 1.89 0.24 1.54 2.99 0.78 -4.96 117.98 120.44 1xti s PHE 148 Ca -0.06 -0.69 -0.19 0.00 0.00 0.00 0.00 56.93 55.99 1xti s PHE 148 Cb -0.14 -1.30 0.02 0.00 0.00 0.00 0.00 43.02 41.60 1xti s PHE 148 CO 0.04 -0.29 0.63 -0.59 -0.00 0.00 0.00 175.22 175.01 1xti s PHE 149 N 0.39 -0.15 0.98 0.36 -0.12 -1.26 -2.43 117.98 115.75 1xti s PHE 149 Ca -0.13 -0.24 -0.12 0.00 -0.05 0.00 0.00 56.93 56.39 1xti s PHE 149 Cb -0.15 0.56 0.18 0.00 -0.63 0.00 0.00 43.02 42.97 1xti s PHE 149 CO 0.05 -1.09 1.09 0.20 -0.05 0.00 0.00 175.22 175.42 1xti s GLY 150 N -2.90 1.61 0.00 1.99 0.00 -1.26 -3.84 107.32 102.92 1xti s GLY 150 Ca 0.11 0.08 0.00 0.00 0.00 0.00 0.00 44.72 44.91 1xti s GLY 150 CO 0.03 0.62 0.00 0.61 0.00 0.00 0.00 173.10 174.36 1xti n GLY 151 N -0.23 2.49 3.13 0.20 0.00 -1.26 -5.04 105.19 104.48 1xti n GLY 151 Ca 0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 1xti n GLY 151 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xti s LEU 152 N 0.00 1.90 0.12 0.99 2.96 -1.25 -5.10 118.68 118.31 1xti s LEU 152 Ca 0.00 -0.35 -0.35 0.00 -0.22 0.00 0.00 54.13 53.22 1xti s LEU 152 Cb 0.00 -0.95 -0.16 0.00 0.50 0.00 0.00 46.19 45.57 1xti s LEU 152 CO 0.00 0.15 1.23 -0.24 -1.32 0.00 0.00 176.35 176.16 1xti n SER 153 N 3.18 1.36 0.30 3.68 2.88 -1.26 -4.83 113.62 118.93 1xti n SER 153 Ca -0.18 1.13 0.19 0.00 -1.33 0.00 0.00 58.87 58.68 1xti n SER 153 Cb 0.53 -1.18 0.92 0.00 -0.75 0.00 0.00 64.21 63.73 1xti n SER 153 CO 0.00 0.00 0.00 -0.29 -1.23 0.00 0.00 175.04 173.52 1xti h ILE 154 N 2.96 0.12 -0.38 2.46 2.10 -1.99 -2.22 117.51 120.56 1xti h ILE 154 Ca -0.45 -0.30 0.00 0.00 1.08 0.00 0.00 64.86 65.19 1xti h ILE 154 Cb 1.35 1.26 -0.02 0.00 -1.09 0.00 0.00 36.82 38.32 1xti h ILE 154 CO 0.73 0.02 0.24 0.50 -1.08 0.00 0.00 178.15 178.57 1xti h LYS 155 N 0.00 0.50 -0.38 2.19 3.64 -1.99 -0.10 116.57 120.43 1xti h LYS 155 Ca -0.00 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.29 1xti h LYS 155 Cb 0.26 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 1xti h LYS 155 CO 0.00 0.34 0.02 0.87 -2.27 0.00 0.00 179.45 178.41 1xti h LYS 156 N 0.52 0.65 -0.18 1.90 1.57 -1.76 -0.86 116.57 118.41 1xti h LYS 156 Ca 0.14 -0.20 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1xti h LYS 156 Cb -0.05 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1xti h LYS 156 CO -0.03 0.74 0.10 -0.44 -0.57 0.00 0.00 179.45 179.26 1xti h ASP 157 N 0.48 0.23 -1.00 0.86 3.32 -1.40 -2.35 116.42 116.56 1xti h ASP 157 Ca 0.11 -0.07 0.02 0.00 0.02 0.00 0.00 57.03 57.11 1xti h ASP 157 Cb 0.43 -0.06 -0.05 0.00 0.22 0.00 0.00 39.33 39.87 1xti h ASP 157 CO 0.02 0.23 0.66 -0.33 -1.72 0.00 0.00 179.24 178.10 1xti h GLU 158 N 0.20 1.27 -0.64 3.56 5.08 -0.95 -0.73 114.58 122.38 1xti h GLU 158 Ca 0.07 -0.08 0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1xti h GLU 158 Cb 0.05 -0.29 -0.04 0.00 0.50 0.00 0.00 28.75 28.98 1xti h GLU 158 CO -0.01 0.84 0.41 0.93 -1.00 0.00 0.00 179.01 180.18 1xti h GLU 159 N 1.31 0.80 -0.15 2.33 4.39 -0.86 -1.35 114.58 121.05 1xti h GLU 159 Ca 0.38 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 60.02 1xti h GLU 159 Cb -0.08 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.39 1xti h GLU 159 CO -0.10 0.53 0.03 0.28 -1.16 0.00 0.00 179.01 178.58 1xti h VAL 160 N 0.82 1.22 -0.22 3.13 2.07 -0.83 -1.04 116.25 121.39 1xti h VAL 160 Ca 0.24 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 1xti h VAL 160 Cb -0.04 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1xti h VAL 160 CO -0.08 0.21 0.11 -0.07 0.02 0.00 0.00 177.57 177.76 1xti h LEU 161 N 0.04 0.27 0.05 2.57 3.38 -0.88 0.15 115.31 120.89 1xti h LEU 161 Ca 0.05 -0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.83 1xti h LEU 161 Cb 0.29 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1xti h LEU 161 CO 0.00 0.23 -0.87 0.07 0.09 0.00 0.00 178.44 177.96 1xti h LYS 162 N 0.31 0.10 0.07 1.13 2.10 -1.18 -3.33 116.57 115.78 1xti h LYS 162 Ca 0.08 -0.18 -0.14 0.00 -2.00 0.00 0.00 60.65 58.41 1xti h LYS 162 Cb 0.03 0.07 0.01 0.00 -0.90 0.00 0.00 32.23 31.44 1xti h LYS 162 CO -0.01 1.09 -0.59 0.87 -2.00 0.00 0.00 179.45 178.80 1xti h LYS 163 N -0.72 0.27 -1.99 0.07 1.57 -1.14 -3.42 116.57 111.21 1xti h LYS 163 Ca -0.21 -0.39 -0.51 0.00 -1.87 0.00 0.00 60.65 57.67 1xti h LYS 163 Cb 1.38 0.13 -0.39 0.00 0.08 0.00 0.00 32.23 33.43 1xti h LYS 163 CO -0.03 1.14 -1.16 -1.71 -0.57 0.00 0.00 179.45 177.13 1xti n ASN 164 N -4.25 0.52 -4.67 0.86 5.15 0.50 -5.08 115.26 108.29 1xti n ASN 164 Ca -0.12 -2.87 -0.46 0.00 -0.60 0.00 0.00 54.58 50.53 1xti n ASN 164 Cb 0.70 -0.62 -0.04 0.00 -0.53 0.00 0.00 39.78 39.30 1xti n ASN 164 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1xti s PRO 166 N 0.80 2.56 0.18 0.00 0.04 -1.26 -4.26 135.00 133.05 1xti s PRO 166 Ca 0.77 0.10 0.18 0.00 0.04 0.00 0.00 61.00 62.09 1xti s PRO 166 Cb -0.66 -2.12 -0.02 0.00 0.04 0.00 0.00 34.50 31.74 1xti s PRO 166 CO 0.39 -1.08 1.10 0.45 0.04 0.00 0.00 177.00 177.89 1xti h HIS 167 N -0.57 0.00 -3.42 0.56 3.86 -1.30 -3.29 115.15 110.98 1xti h HIS 167 Ca -0.45 0.00 -0.57 0.00 -1.16 0.00 0.00 60.37 58.19 1xti h HIS 167 Cb 1.28 0.00 -0.33 0.00 1.06 0.00 0.00 27.41 29.42 1xti h HIS 167 CO 0.42 0.41 -0.84 0.42 0.86 0.00 0.00 177.93 179.20 1xti s ILE 168 N -3.04 1.42 -0.08 2.45 1.01 -0.77 -0.13 121.20 122.08 1xti s ILE 168 Ca 0.00 -0.65 0.05 0.00 0.00 0.00 0.00 60.65 60.05 1xti s ILE 168 Cb 0.08 -1.27 -0.00 0.00 0.01 0.00 0.00 42.46 41.28 1xti s ILE 168 CO 0.78 0.42 -0.23 -0.69 0.00 0.00 0.00 174.94 175.22 1xti s VAL 169 N 0.53 1.95 -0.01 2.92 1.01 0.04 -2.10 120.40 124.73 1xti s VAL 169 Ca -0.15 -0.98 0.08 0.00 0.00 0.00 0.00 61.98 60.93 1xti s VAL 169 Cb -0.16 -1.67 -0.02 0.00 0.00 0.00 0.00 36.38 34.53 1xti s VAL 169 CO 0.05 0.54 -0.26 -0.69 0.00 0.00 0.00 175.10 174.74 1xti s VAL 170 N 0.15 2.04 0.01 2.92 1.01 -0.39 -0.76 120.40 125.38 1xti s VAL 170 Ca -0.12 -1.14 -0.29 0.00 0.00 0.00 0.00 61.98 60.44 1xti s VAL 170 Cb -0.16 -1.70 0.10 0.00 0.00 0.00 0.00 36.38 34.63 1xti s VAL 170 CO 0.06 0.54 1.25 -0.83 0.00 0.00 0.00 175.10 176.13 1xti s GLY 171 N -0.69 -0.24 0.15 4.51 0.00 -0.61 -0.16 107.32 110.27 1xti s GLY 171 Ca 0.10 0.32 -0.09 0.00 0.00 0.00 0.00 44.72 45.05 1xti s GLY 171 CO -0.01 2.46 0.45 -0.51 0.00 0.00 0.00 173.10 175.50 1xti s THR 172 N -2.27 5.04 0.23 0.90 -4.23 -1.02 -2.46 115.64 111.82 1xti s THR 172 Ca 0.21 0.40 -0.10 0.00 -1.18 0.00 0.00 61.69 61.02 1xti s THR 172 Cb 0.02 -3.64 0.25 0.00 1.34 0.00 0.00 72.50 70.46 1xti s THR 172 CO -0.02 0.12 1.64 -0.65 -0.54 0.00 0.00 174.62 175.17 1xti h PRO 173 N 3.14 0.08 -0.25 3.99 0.11 -1.92 -2.21 132.00 134.94 1xti h PRO 173 Ca -0.48 -0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.69 1xti h PRO 173 Cb 1.18 -0.02 -0.08 0.00 0.11 0.00 0.00 31.00 32.20 1xti h PRO 173 CO 0.69 0.05 -0.39 0.78 -0.21 0.00 0.00 178.00 178.91 1xti h GLY 174 N 0.08 -0.55 1.31 -0.55 0.00 -1.95 0.61 103.07 102.02 1xti h GLY 174 Ca 0.36 0.49 -0.13 0.00 0.00 0.00 0.00 47.33 48.06 1xti h GLY 174 CO -0.63 -0.21 -0.28 -0.09 0.00 0.00 0.00 176.54 175.33 1xti h ARG 175 N -0.39 0.78 -0.35 4.80 9.65 -1.84 -2.54 114.38 124.49 1xti h ARG 175 Ca 0.11 -0.34 -0.01 0.00 -1.10 0.00 0.00 59.98 58.63 1xti h ARG 175 Cb 0.59 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 29.13 1xti h ARG 175 CO -0.46 0.97 0.17 0.82 2.80 0.00 0.00 179.97 184.27 1xti h ILE 176 N 0.66 1.16 -0.82 1.20 1.08 -1.01 -1.62 117.51 118.16 1xti h ILE 176 Ca 0.08 -0.45 -0.01 0.00 -0.39 0.00 0.00 64.86 64.09 1xti h ILE 176 Cb 0.81 0.81 -0.04 0.00 -3.07 0.00 0.00 36.82 35.34 1xti h ILE 176 CO 0.07 0.17 0.47 0.25 -0.69 0.00 0.00 178.15 178.42 1xti h LEU 177 N 0.43 1.01 -0.42 1.44 5.85 -0.83 -1.70 115.31 121.08 1xti h LEU 177 Ca 0.12 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 1xti h LEU 177 Cb 0.11 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 1xti h LEU 177 CO -0.02 0.80 0.15 0.00 -0.34 0.00 0.00 178.44 179.03 1xti h ALA 178 N 1.25 0.55 -0.18 1.25 0.00 -1.23 0.12 119.26 121.03 1xti h ALA 178 Ca 0.29 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1xti h ALA 178 Cb -0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1xti h ALA 178 CO -0.05 0.18 -0.16 -0.07 0.00 0.00 0.00 179.25 179.15 1xti h LEU 179 N 0.54 0.29 0.01 0.00 3.38 -1.05 -0.81 115.31 117.66 1xti h LEU 179 Ca 0.14 -0.07 -0.27 0.00 0.09 0.00 0.00 57.88 57.77 1xti h LEU 179 Cb 0.23 -0.08 0.02 0.00 0.09 0.00 0.00 40.66 40.92 1xti h LEU 179 CO -0.01 0.48 -1.09 0.00 0.09 0.00 0.00 178.44 177.90 1xti h ALA 180 N 1.56 0.13 -0.11 1.53 0.00 -1.05 0.48 119.26 121.80 1xti h ALA 180 Ca 0.05 -0.73 -0.01 0.00 0.00 0.00 0.00 54.91 54.23 1xti h ALA 180 Cb 0.46 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1xti h ALA 180 CO 0.03 0.72 0.04 0.00 0.00 0.00 0.00 179.25 180.04 1xti h ARG 181 N 0.32 0.17 0.00 0.00 3.08 -0.77 -1.65 114.38 115.53 1xti h ARG 181 Ca -0.14 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.88 1xti h ARG 181 Cb 1.75 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.78 1xti h ARG 181 CO 0.21 0.28 0.01 0.09 -1.07 0.00 0.00 179.97 179.50 1xti n ASN 182 N -4.90 0.01 0.00 7.04 5.03 -0.33 -4.80 115.26 117.31 1xti n ASN 182 Ca -0.05 0.49 0.00 0.00 0.87 0.00 0.00 54.58 55.88 1xti n ASN 182 Cb 0.12 -0.49 0.00 0.00 -1.02 0.00 0.00 39.78 38.39 1xti n ASN 182 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1xti n LYS 183 N -1.49 -0.92 -0.09 3.52 5.02 -0.62 -4.86 118.16 118.71 1xti n LYS 183 Ca -0.00 0.23 -0.13 0.00 -2.02 0.00 0.00 58.31 56.39 1xti n LYS 183 Cb 0.01 -3.95 -0.04 0.00 -0.02 0.00 0.00 35.03 31.03 1xti n LYS 183 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 1xti h SER 184 N 0.00 0.82 -3.73 4.39 0.02 -1.20 -3.41 113.55 110.44 1xti h SER 184 Ca 0.00 -0.48 -0.67 0.00 -0.84 0.00 0.00 61.79 59.79 1xti h SER 184 Cb 0.46 -0.23 -0.19 0.00 0.14 0.00 0.00 62.40 62.58 1xti h SER 184 CO 0.00 1.13 -0.48 -0.22 -1.14 0.00 0.00 176.83 176.12 1xti s LEU 185 N -8.92 4.48 -0.43 5.07 2.96 -0.40 -4.76 118.68 116.69 1xti s LEU 185 Ca -0.12 -0.39 -0.20 0.00 -0.22 0.00 0.00 54.13 53.20 1xti s LEU 185 Cb 0.09 -2.13 0.02 0.00 0.50 0.00 0.00 46.19 44.67 1xti s LEU 185 CO 0.84 -0.22 0.59 0.21 -1.32 0.00 0.00 176.35 176.45 1xti s ASN 186 N 1.72 6.29 -0.11 3.68 3.84 -1.26 -4.34 114.94 124.77 1xti s ASN 186 Ca 0.06 -0.39 0.19 0.00 0.21 0.00 0.00 52.86 52.93 1xti s ASN 186 Cb -0.17 -2.29 0.73 0.00 -0.55 0.00 0.00 41.25 38.96 1xti s ASN 186 CO 0.11 -0.71 1.64 0.18 -2.79 0.00 0.00 177.10 175.52 1xti n LEU 187 N 6.07 4.76 0.00 3.21 4.77 -1.26 -4.48 117.00 130.06 1xti n LEU 187 Ca -0.03 -2.42 0.12 0.00 -0.03 0.00 0.00 56.01 53.65 1xti n LEU 187 Cb 0.48 -0.58 0.63 0.00 -2.33 0.00 0.00 43.42 41.62 1xti n LEU 187 CO 0.51 0.83 0.90 0.29 -1.33 0.00 0.00 177.39 178.60 1xti n LYS 188 N 1.18 0.42 -0.06 3.23 5.02 -1.26 -3.15 118.16 123.55 1xti n LYS 188 Ca 0.26 0.05 0.02 0.00 -2.02 0.00 0.00 58.31 56.62 1xti n LYS 188 Cb 0.88 -1.50 0.06 0.00 -0.02 0.00 0.00 35.03 34.45 1xti n LYS 188 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1xti n HIS 189 N -1.23 0.17 -1.74 2.13 8.25 -1.26 -4.56 115.22 116.97 1xti n HIS 189 Ca 0.13 -0.42 -0.42 0.00 -0.26 0.00 0.00 57.72 56.74 1xti n HIS 189 Cb 0.17 -0.03 -0.03 0.00 1.12 0.00 0.00 29.99 31.22 1xti n HIS 189 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1xti s ILE 190 N -0.91 2.72 -0.34 1.59 -1.09 -1.19 -4.48 121.20 117.51 1xti s ILE 190 Ca 0.09 0.11 0.12 0.00 -2.23 0.00 0.00 60.65 58.75 1xti s ILE 190 Cb 0.05 -3.07 -0.16 0.00 -1.58 0.00 0.00 42.46 37.70 1xti s ILE 190 CO 0.07 -0.00 0.41 0.29 -1.23 0.00 0.00 174.94 174.48 1xti n LYS 191 N 6.10 1.91 -3.68 2.79 5.02 0.85 -4.42 118.16 126.73 1xti n LYS 191 Ca 0.18 -0.05 -0.18 0.00 -2.02 0.00 0.00 58.31 56.24 1xti n LYS 191 Cb 0.39 -1.16 -0.17 0.00 -0.02 0.00 0.00 35.03 34.07 1xti n LYS 191 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1xti s HIS 192 N -2.44 -0.03 -0.30 2.13 3.76 -0.99 -1.03 115.29 116.39 1xti s HIS 192 Ca 0.01 0.37 -0.01 0.00 -0.15 0.00 0.00 55.06 55.28 1xti s HIS 192 Cb 0.09 -0.37 0.06 0.00 1.11 0.00 0.00 32.58 33.47 1xti s HIS 192 CO 0.51 -0.21 0.00 0.12 -0.85 0.00 0.00 174.74 174.31 1xti s PHE 193 N 2.06 3.32 -0.13 1.40 5.36 0.02 -1.32 117.98 128.69 1xti s PHE 193 Ca 0.02 -2.07 -0.00 0.00 -0.96 0.00 0.00 56.93 53.92 1xti s PHE 193 Cb -0.12 -2.22 -0.02 0.00 -0.34 0.00 0.00 43.02 40.32 1xti s PHE 193 CO -0.04 -0.84 -0.12 0.42 -1.46 0.00 0.00 175.22 173.18 1xti s ILE 194 N 1.20 3.17 -0.10 3.12 -1.09 0.47 -1.87 121.20 126.09 1xti s ILE 194 Ca -0.04 -0.62 0.03 0.00 -2.23 0.00 0.00 60.65 57.79 1xti s ILE 194 Cb -0.20 -2.33 0.00 0.00 -1.58 0.00 0.00 42.46 38.35 1xti s ILE 194 CO -0.02 0.52 -0.21 -0.76 -1.23 0.00 0.00 174.94 173.24 1xti s LEU 195 N 0.29 1.99 0.27 2.97 1.43 -0.28 -0.88 118.68 124.47 1xti s LEU 195 Ca -0.09 -0.51 0.12 0.00 -1.03 0.00 0.00 54.13 52.62 1xti s LEU 195 Cb -0.15 -1.29 -0.05 0.00 0.03 0.00 0.00 46.19 44.72 1xti s LEU 195 CO 0.05 0.12 -0.20 -0.62 0.23 0.00 0.00 176.35 175.93 1xti s ASP 196 N 0.48 3.55 -1.44 2.29 3.68 -0.60 -0.67 116.67 123.96 1xti s ASP 196 Ca -0.16 -1.02 -0.10 0.00 2.13 0.00 0.00 52.55 53.39 1xti s ASP 196 Cb -0.17 -0.29 0.05 0.00 -1.45 0.00 0.00 42.92 41.05 1xti s ASP 196 CO 0.06 0.04 1.03 -0.62 0.13 0.00 0.00 175.17 175.81 1xti n GLU 197 N -0.57 -6.38 -0.24 4.34 1.02 -0.92 -4.03 120.64 113.86 1xti n GLU 197 Ca -0.05 0.69 -0.00 0.00 -0.02 0.00 0.00 57.16 57.77 1xti n GLU 197 Cb 0.60 -5.62 0.11 0.00 -0.02 0.00 0.00 31.44 26.51 1xti n GLU 197 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xti h ASP 199 N 0.65 -0.16 -0.26 0.00 3.04 -1.83 0.32 116.42 118.18 1xti h ASP 199 Ca 0.32 0.11 -0.11 0.00 -3.24 0.00 0.00 57.03 54.11 1xti h ASP 199 Cb 0.26 0.18 -0.00 0.00 -1.04 0.00 0.00 39.33 38.73 1xti h ASP 199 CO -0.22 -0.05 -0.25 0.11 -2.04 0.00 0.00 179.24 176.79 1xti h LYS 200 N 0.14 0.63 -0.57 4.15 1.57 -1.83 -2.45 116.57 118.21 1xti h LYS 200 Ca 0.25 -0.33 -0.07 0.00 -1.87 0.00 0.00 60.65 58.63 1xti h LYS 200 Cb 0.36 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 1xti h LYS 200 CO -0.39 0.93 0.09 1.98 -0.57 0.00 0.00 179.45 181.49 1xti h MET 201 N 0.35 0.91 -0.71 3.15 4.05 -0.47 -3.06 114.93 119.15 1xti h MET 201 Ca 0.04 -0.22 0.00 0.00 -0.28 0.00 0.00 59.70 59.24 1xti h MET 201 Cb 0.81 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 31.49 1xti h MET 201 CO 0.06 0.85 0.00 1.28 0.23 0.00 0.00 176.91 179.34 1xti n LEU 202 N -4.23 4.03 -0.07 3.39 4.77 0.11 -4.27 117.00 120.72 1xti n LEU 202 Ca 0.04 -2.02 -0.09 0.00 -0.03 0.00 0.00 56.01 53.91 1xti n LEU 202 Cb 0.27 -0.50 -0.02 0.00 -2.33 0.00 0.00 43.42 40.84 1xti n LEU 202 CO 0.41 0.94 0.95 -0.08 -1.33 0.00 0.00 177.39 178.28 1xti h GLU 203 N 4.20 0.26 -5.88 3.23 4.81 -1.33 -3.44 114.58 116.44 1xti h GLU 203 Ca 0.00 -0.02 -0.64 0.00 -0.13 0.00 0.00 59.36 58.57 1xti h GLU 203 Cb 1.05 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 30.32 1xti h GLU 203 CO 0.04 0.17 -0.52 -0.65 -0.73 0.00 0.00 179.01 177.33 1xti s GLN 204 N -6.17 3.34 0.16 1.92 -0.21 -1.26 -5.02 119.66 112.41 1xti s GLN 204 Ca -0.13 -0.39 -0.15 0.00 0.02 0.00 0.00 55.36 54.71 1xti s GLN 204 Cb 0.10 -3.02 0.10 0.00 1.00 0.00 0.00 33.01 31.18 1xti s GLN 204 CO 0.70 0.66 1.73 1.25 -2.12 0.00 0.00 175.29 177.51 1xti h LEU 205 N 3.74 0.06 -0.53 2.90 5.85 -1.96 -0.58 115.31 124.79 1xti h LEU 205 Ca -0.48 0.06 0.09 0.00 0.84 0.00 0.00 57.88 58.39 1xti h LEU 205 Cb 1.18 0.07 -0.07 0.00 0.37 0.00 0.00 40.66 42.21 1xti h LEU 205 CO 0.68 0.07 0.11 -2.24 -0.34 0.00 0.00 178.44 176.72 1xti h ASP 206 N 0.24 0.00 0.80 1.25 2.03 -1.97 0.38 116.42 119.15 1xti h ASP 206 Ca 0.19 0.09 -0.18 0.00 -0.73 0.00 0.00 57.03 56.41 1xti h ASP 206 Cb 0.21 0.13 -0.02 0.00 -0.83 0.00 0.00 39.33 38.82 1xti h ASP 206 CO -0.23 0.03 -0.84 -0.03 -1.03 0.00 0.00 179.24 177.14 1xti h MET 207 N 0.25 0.03 -0.52 4.15 4.05 -1.79 -2.59 114.93 118.51 1xti h MET 207 Ca 0.27 -0.03 -0.08 0.00 -0.28 0.00 0.00 59.70 59.58 1xti h MET 207 Cb 0.37 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.16 1xti h MET 207 CO -0.35 0.85 -0.00 -0.09 0.23 0.00 0.00 176.91 177.55 1xti h ARG 208 N 0.01 0.87 -0.33 0.39 2.43 -0.27 -1.82 114.38 115.66 1xti h ARG 208 Ca -0.01 -0.25 -0.04 0.00 -0.81 0.00 0.00 59.98 58.87 1xti h ARG 208 Cb 1.48 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.92 1xti h ARG 208 CO 0.11 0.87 0.07 -0.09 -1.51 0.00 0.00 179.97 179.42 1xti h ARG 209 N 0.81 0.54 -0.80 0.20 2.43 -0.18 -1.88 114.38 115.51 1xti h ARG 209 Ca 0.15 -0.14 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1xti h ARG 209 Cb 0.49 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.93 1xti h ARG 209 CO 0.02 0.61 0.47 -0.44 -1.51 0.00 0.00 179.97 179.13 1xti h ASP 210 N 0.38 0.96 -0.59 -3.80 3.32 -1.18 -0.52 116.42 115.00 1xti h ASP 210 Ca 0.10 -0.07 -0.10 0.00 0.02 0.00 0.00 57.03 56.98 1xti h ASP 210 Cb 0.32 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 1xti h ASP 210 CO 0.00 0.75 -0.02 0.58 -1.72 0.00 0.00 179.24 178.84 1xti h VAL 211 N 1.09 1.27 -0.11 -1.35 2.07 -1.22 -0.91 116.25 117.09 1xti h VAL 211 Ca 0.28 -1.17 -0.10 0.00 0.82 0.00 0.00 66.70 66.53 1xti h VAL 211 Cb -0.03 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1xti h VAL 211 CO -0.05 0.42 -0.38 1.56 0.02 0.00 0.00 177.57 179.14 1xti h GLN 212 N 0.97 0.24 -0.35 1.57 4.20 -1.03 0.21 115.11 120.91 1xti h GLN 212 Ca 0.17 -0.10 -0.06 0.00 0.06 0.00 0.00 58.65 58.72 1xti h GLN 212 Cb 0.58 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.34 1xti h GLN 212 CO 0.03 0.59 -0.01 1.49 -0.67 0.00 0.00 178.83 180.27 1xti h GLU 213 N 0.20 0.62 -0.64 1.46 4.81 -0.62 -1.79 114.58 118.62 1xti h GLU 213 Ca 0.02 -0.20 -0.03 0.00 -0.13 0.00 0.00 59.36 59.02 1xti h GLU 213 Cb 0.77 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.06 1xti h GLU 213 CO 0.06 0.74 0.28 0.82 -0.73 0.00 0.00 179.01 180.18 1xti h ILE 214 N 0.43 1.23 -0.74 2.32 2.04 -0.91 -2.92 117.51 118.97 1xti h ILE 214 Ca 0.10 -0.69 0.06 0.00 1.00 0.00 0.00 64.86 65.33 1xti h ILE 214 Cb 0.46 0.49 -0.06 0.00 -0.74 0.00 0.00 36.82 36.98 1xti h ILE 214 CO 0.02 0.28 0.43 0.15 0.00 0.00 0.00 178.15 179.02 1xti h PHE 215 N 0.90 0.79 0.00 1.37 3.57 -0.67 -1.94 116.94 120.95 1xti h PHE 215 Ca 0.22 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.74 1xti h PHE 215 Cb 0.17 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.66 1xti h PHE 215 CO 0.01 0.38 0.00 0.00 -2.23 0.00 0.00 178.31 176.47 1xti h ARG 216 N 0.78 0.00 -0.00 1.11 3.08 -1.13 -2.12 114.38 116.10 1xti h ARG 216 Ca 0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.38 1xti h ARG 216 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.24 1xti h ARG 216 CO -0.18 0.00 -0.02 -1.33 -1.07 0.00 0.00 179.97 177.37 1xti n MET 217 N -3.03 0.21 -3.81 0.04 2.81 -0.73 -4.85 117.12 107.76 1xti n MET 217 Ca -0.01 -0.01 -0.22 0.00 -1.81 0.00 0.00 57.70 55.66 1xti n MET 217 Cb 0.20 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.19 1xti n MET 217 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1xti s THR 218 N -2.80 5.16 0.50 2.03 -4.23 -0.80 -4.05 115.64 111.45 1xti s THR 218 Ca 0.21 -0.87 -0.24 0.00 -1.18 0.00 0.00 61.69 59.61 1xti s THR 218 Cb 0.20 -3.84 -0.07 0.00 1.34 0.00 0.00 72.50 70.13 1xti s THR 218 CO 0.50 -0.37 1.41 -2.84 -0.54 0.00 0.00 174.62 172.78 1xti s PRO 219 N -4.07 3.40 0.46 3.99 0.02 -1.26 -4.90 135.00 132.64 1xti s PRO 219 Ca 0.36 2.37 0.24 0.00 0.02 0.00 0.00 61.00 63.98 1xti s PRO 219 Cb -0.09 -2.46 1.08 0.00 0.02 0.00 0.00 34.50 33.05 1xti s PRO 219 CO 0.31 -1.03 1.91 1.25 -0.33 0.00 0.00 177.00 179.11 1xti h HIS 220 N 1.89 0.00 -3.18 6.54 2.76 -1.94 -3.38 115.15 117.84 1xti h HIS 220 Ca -0.51 0.00 -0.75 0.00 -2.20 0.00 0.00 60.37 56.91 1xti h HIS 220 Cb 1.28 0.00 -0.25 0.00 1.55 0.00 0.00 27.41 30.00 1xti h HIS 220 CO 0.48 0.22 -0.28 -1.21 -1.30 0.00 0.00 177.93 175.83 1xti s GLU 221 N -3.90 2.89 0.02 5.26 2.02 -1.26 -4.99 118.70 118.74 1xti s GLU 221 Ca -0.01 -1.64 -0.28 0.00 0.02 0.00 0.00 54.97 53.06 1xti s GLU 221 Cb 0.12 -4.18 0.10 0.00 0.10 0.00 0.00 34.13 30.26 1xti s GLU 221 CO 0.63 -1.23 0.91 -1.59 0.02 0.00 0.00 175.26 173.99 1xti s LYS 222 N 1.56 0.88 0.14 1.61 -2.85 -1.26 -4.84 119.74 114.98 1xti s LYS 222 Ca 0.04 -0.36 -0.21 0.00 -1.00 0.00 0.00 55.97 54.44 1xti s LYS 222 Cb -0.28 0.38 -0.07 0.00 -2.06 0.00 0.00 37.83 35.80 1xti s LYS 222 CO 0.03 -0.39 0.66 -1.14 0.10 0.00 0.00 175.35 174.61 1xti s GLN 223 N -3.14 4.31 -0.06 1.78 0.74 -0.19 -4.96 119.66 118.14 1xti s GLN 223 Ca 0.06 0.87 0.03 0.00 0.05 0.00 0.00 55.36 56.38 1xti s GLN 223 Cb -0.01 -3.15 0.00 0.00 1.10 0.00 0.00 33.01 30.95 1xti s GLN 223 CO -0.07 0.56 -0.15 0.08 -0.55 0.00 0.00 175.29 175.16 1xti s VAL 224 N -1.23 1.33 -0.03 1.34 1.01 -1.26 -0.80 120.40 120.77 1xti s VAL 224 Ca 0.34 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.73 1xti s VAL 224 Cb -0.20 -1.17 -0.00 0.00 0.00 0.00 0.00 36.38 35.01 1xti s VAL 224 CO 0.22 0.39 -0.11 -0.04 0.00 0.00 0.00 175.10 175.56 1xti s MET 225 N 0.32 1.09 -0.09 2.72 -1.94 -0.78 -1.66 119.30 118.96 1xti s MET 225 Ca -0.10 -0.38 0.01 0.00 -1.71 0.00 0.00 55.69 53.52 1xti s MET 225 Cb -0.14 -1.01 0.02 0.00 2.01 0.00 0.00 34.83 35.72 1xti s MET 225 CO 0.03 0.16 -0.09 -1.64 -0.01 0.00 0.00 175.02 173.47 1xti s MET 226 N 0.07 1.54 0.08 2.03 -1.94 0.56 -1.12 119.30 120.53 1xti s MET 226 Ca -0.02 -0.31 0.10 0.00 -1.71 0.00 0.00 55.69 53.75 1xti s MET 226 Cb -0.08 -1.45 -0.03 0.00 2.01 0.00 0.00 34.83 35.28 1xti s MET 226 CO 0.01 -0.12 -0.26 -0.06 -0.01 0.00 0.00 175.02 174.57 1xti s PHE 227 N 1.19 2.23 -0.17 -0.03 0.40 0.16 -0.18 117.98 121.58 1xti s PHE 227 Ca -0.05 -0.40 -0.28 0.00 -0.60 0.00 0.00 56.93 55.60 1xti s PHE 227 Cb -0.14 -1.28 0.10 0.00 0.51 0.00 0.00 43.02 42.22 1xti s PHE 227 CO -0.02 0.22 0.88 0.45 0.70 0.00 0.00 175.22 177.45 1xti s SER 228 N -1.63 -0.52 0.18 1.36 0.15 -0.60 -1.78 113.70 110.86 1xti s SER 228 Ca 0.12 0.75 -0.06 0.00 0.70 0.00 0.00 55.95 57.46 1xti s SER 228 Cb -0.10 0.67 0.08 0.00 -1.71 0.00 0.00 66.02 64.96 1xti s SER 228 CO 0.04 -0.36 1.52 0.00 1.20 0.00 0.00 173.24 175.64 1xti h ALA 229 N 3.41 0.70 -2.20 5.45 0.00 -1.90 -2.01 119.26 122.69 1xti h ALA 229 Ca -0.24 -0.47 -0.37 0.00 0.00 0.00 0.00 54.91 53.83 1xti h ALA 229 Cb 1.16 -0.11 -0.14 0.00 0.00 0.00 0.00 17.79 18.70 1xti h ALA 229 CO 0.25 0.67 -0.69 0.95 0.00 0.00 0.00 179.25 180.43 1xti s THR 230 N -4.24 1.20 -0.78 0.00 -4.23 -1.26 -3.05 115.64 103.28 1xti s THR 230 Ca -0.09 -2.07 -0.05 0.00 -1.18 0.00 0.00 61.69 58.30 1xti s THR 230 Cb 0.12 -2.12 0.20 0.00 1.34 0.00 0.00 72.50 72.03 1xti s THR 230 CO 0.85 -0.52 0.65 -0.76 -0.54 0.00 0.00 174.62 174.30 1xti s LEU 231 N -3.26 5.68 1.35 4.79 1.43 -1.26 -4.49 118.68 122.93 1xti s LEU 231 Ca 0.23 -3.15 -0.21 0.00 -1.03 0.00 0.00 54.13 49.96 1xti s LEU 231 Cb 0.04 -1.96 0.33 0.00 0.03 0.00 0.00 46.19 44.63 1xti s LEU 231 CO 0.05 -0.34 0.75 -1.54 0.23 0.00 0.00 176.35 175.51 1xti n SER 232 N 3.15 -3.83 0.05 2.29 3.41 -1.26 -4.99 113.62 112.44 1xti n SER 232 Ca 0.14 -0.73 -0.02 0.00 -0.26 0.00 0.00 58.87 58.00 1xti n SER 232 Cb 0.39 -0.95 -0.01 0.00 -0.26 0.00 0.00 64.21 63.38 1xti n SER 232 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1xti h LYS 233 N -3.40 -0.15 -0.69 4.33 1.57 -1.99 -3.37 116.57 112.87 1xti h LYS 233 Ca -0.36 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 1xti h LYS 233 Cb 1.18 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1xti h LYS 233 CO 0.22 -0.10 0.00 0.39 -0.57 0.00 0.00 179.45 179.39 1xti n GLU 234 N -2.94 0.92 0.10 3.15 -0.58 -1.26 -3.31 120.64 116.72 1xti n GLU 234 Ca -0.02 0.00 0.04 0.00 -0.42 0.00 0.00 57.16 56.76 1xti n GLU 234 Cb 0.06 -1.35 -0.01 0.00 -0.57 0.00 0.00 31.44 29.57 1xti n GLU 234 CO 0.00 0.00 0.00 -0.84 -0.48 0.00 0.00 177.13 175.81 1xti h ILE 235 N 0.00 0.47 -0.72 -3.67 3.07 -1.90 -3.31 117.51 111.45 1xti h ILE 235 Ca 0.00 -1.79 0.04 0.00 1.55 0.00 0.00 64.86 64.67 1xti h ILE 235 Cb 0.35 2.05 -0.05 0.00 -0.27 0.00 0.00 36.82 38.89 1xti h ILE 235 CO 0.00 0.27 0.44 0.03 -1.05 0.00 0.00 178.15 177.84 1xti h ARG 236 N 0.00 0.82 -0.77 0.16 2.47 -1.80 0.14 114.38 115.40 1xti h ARG 236 Ca -0.07 -0.05 -0.03 0.00 -1.26 0.00 0.00 59.98 58.57 1xti h ARG 236 Cb 1.36 -0.19 -0.04 0.00 -1.65 0.00 0.00 29.97 29.46 1xti h ARG 236 CO 0.04 0.54 0.35 -1.35 0.56 0.00 0.00 179.97 180.12 1xti h PRO 237 N 0.85 1.11 -0.42 0.04 0.11 -1.82 -0.35 132.00 131.52 1xti h PRO 237 Ca 0.30 -0.16 -0.06 0.00 0.11 0.00 0.00 66.00 66.19 1xti h PRO 237 Cb 0.08 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 30.97 1xti h PRO 237 CO -0.13 0.86 0.02 0.28 -0.21 0.00 0.00 178.00 178.82 1xti h VAL 238 N 1.10 1.26 -0.94 3.15 2.07 -1.49 -2.62 116.25 118.77 1xti h VAL 238 Ca 0.26 -0.97 -0.01 0.00 0.82 0.00 0.00 66.70 66.80 1xti h VAL 238 Cb 0.13 1.07 -0.05 0.00 -1.52 0.00 0.00 31.29 30.92 1xti h VAL 238 CO -0.03 0.33 0.57 0.00 0.02 0.00 0.00 177.57 178.46 1xti h ARG 240 N 1.30 0.67 0.03 0.00 2.47 -0.85 0.54 114.38 118.53 1xti h ARG 240 Ca 0.34 -0.04 -0.23 0.00 -1.26 0.00 0.00 59.98 58.79 1xti h ARG 240 Cb -0.06 -0.15 -0.03 0.00 -1.65 0.00 0.00 29.97 28.09 1xti h ARG 240 CO -0.06 0.44 -1.12 0.87 0.56 0.00 0.00 179.97 180.66 1xti h LYS 241 N 0.69 0.06 0.03 0.04 1.79 -0.97 -3.36 116.57 114.84 1xti h LYS 241 Ca 0.19 -0.09 -0.29 0.00 -2.18 0.00 0.00 60.65 58.27 1xti h LYS 241 Cb -0.08 0.04 -0.04 0.00 -1.58 0.00 0.00 32.23 30.57 1xti h LYS 241 CO -0.04 1.00 -1.63 0.74 -1.08 0.00 0.00 179.45 178.44 1xti h PHE 242 N 0.02 0.12 -3.95 -1.35 0.05 -0.56 -3.48 116.94 107.79 1xti h PHE 242 Ca -0.06 -0.09 -0.30 0.00 3.82 0.00 0.00 57.97 61.34 1xti h PHE 242 Cb 1.83 -0.00 -0.23 0.00 2.00 0.00 0.00 35.95 39.55 1xti h PHE 242 CO 0.01 1.15 -0.74 -1.64 -0.18 0.00 0.00 178.31 176.91 1xti s MET 243 N -2.61 0.52 -0.12 1.51 -1.94 0.18 -4.89 119.30 111.96 1xti s MET 243 Ca -0.07 -0.60 0.02 0.00 -1.71 0.00 0.00 55.69 53.33 1xti s MET 243 Cb 0.08 -0.35 0.01 0.00 2.01 0.00 0.00 34.83 36.58 1xti s MET 243 CO 0.82 0.08 -0.16 -0.65 -0.01 0.00 0.00 175.02 175.09 1xti s GLN 244 N -1.17 2.35 -1.30 2.03 1.11 -1.26 -4.28 119.66 117.14 1xti s GLN 244 Ca -0.06 -0.61 -0.04 0.00 0.01 0.00 0.00 55.36 54.66 1xti s GLN 244 Cb -0.08 -1.99 0.01 0.00 -1.01 0.00 0.00 33.01 29.94 1xti s GLN 244 CO 0.00 -0.07 1.03 -0.25 0.01 0.00 0.00 175.29 176.01 1xti n ASP 245 N 4.23 -3.74 -4.75 5.90 9.92 -1.26 -4.96 116.55 121.89 1xti n ASP 245 Ca -0.19 -0.63 -0.31 0.00 -0.53 0.00 0.00 54.79 53.14 1xti n ASP 245 Cb 0.51 -4.86 0.11 0.00 -0.64 0.00 0.00 41.12 36.24 1xti n ASP 245 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1xti s PRO 246 N -5.89 1.86 -0.08 -0.24 0.04 -1.26 -4.88 135.00 124.54 1xti s PRO 246 Ca 0.27 1.04 -0.28 0.00 0.04 0.00 0.00 61.00 62.07 1xti s PRO 246 Cb -0.12 -1.86 -0.02 0.00 0.04 0.00 0.00 34.50 32.54 1xti s PRO 246 CO 0.75 -1.89 0.93 1.41 0.04 0.00 0.00 177.00 178.24 1xti s MET 247 N -4.91 4.45 -0.24 4.56 -2.45 -0.03 -4.88 119.30 115.80 1xti s MET 247 Ca 0.62 1.26 -0.10 0.00 -1.25 0.00 0.00 55.69 56.23 1xti s MET 247 Cb -0.17 -3.51 -0.04 0.00 1.25 0.00 0.00 34.83 32.35 1xti s MET 247 CO 0.56 -0.18 0.14 -1.21 1.05 0.00 0.00 175.02 175.38 1xti s GLU 248 N 1.55 3.96 -0.13 4.11 2.02 -1.26 -1.45 118.70 127.49 1xti s GLU 248 Ca 0.46 -0.33 0.01 0.00 0.02 0.00 0.00 54.97 55.13 1xti s GLU 248 Cb -0.19 -3.48 0.02 0.00 0.10 0.00 0.00 34.13 30.58 1xti s GLU 248 CO 0.20 -0.01 -0.15 0.42 0.02 0.00 0.00 175.26 175.74 1xti s ILE 249 N 1.22 1.58 -0.27 -1.63 1.01 0.01 -4.99 121.20 118.13 1xti s ILE 249 Ca 0.06 -0.66 0.02 0.00 0.00 0.00 0.00 60.65 60.07 1xti s ILE 249 Cb -0.14 -1.46 0.06 0.00 0.01 0.00 0.00 42.46 40.93 1xti s ILE 249 CO 0.05 0.46 -0.09 -0.36 0.00 0.00 0.00 174.94 175.00 1xti s PHE 250 N 1.22 3.27 -0.13 3.97 0.40 -1.26 -1.33 117.98 124.12 1xti s PHE 250 Ca -0.01 -2.25 -0.17 0.00 -0.60 0.00 0.00 56.93 53.90 1xti s PHE 250 Cb -0.14 -1.97 -0.04 0.00 0.51 0.00 0.00 43.02 41.38 1xti s PHE 250 CO -0.06 -0.87 0.45 0.08 0.70 0.00 0.00 175.22 175.52 1xti s VAL 251 N 1.13 5.20 -0.19 -0.44 1.01 -0.57 -5.01 120.40 121.54 1xti s VAL 251 Ca -0.08 0.89 -0.29 0.00 0.00 0.00 0.00 61.98 62.49 1xti s VAL 251 Cb -0.20 -3.79 -0.07 0.00 0.00 0.00 0.00 36.38 32.33 1xti s VAL 251 CO -0.04 0.32 2.17 0.47 0.00 0.00 0.00 175.10 178.02 1xti n ASP 252 N 3.78 3.30 -4.24 3.32 8.00 -1.26 -4.61 116.55 124.83 1xti n ASP 252 Ca -0.08 0.36 -0.37 0.00 0.71 0.00 0.00 54.79 55.41 1xti n ASP 252 Cb 0.52 -1.52 0.04 0.00 -0.02 0.00 0.00 41.12 40.14 1xti n ASP 252 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1xti n ASP 253 N 10.70 -3.59 -4.51 -2.24 5.68 -1.26 -4.76 116.55 116.56 1xti n ASP 253 Ca 0.29 0.49 -0.49 0.00 -0.50 0.00 0.00 54.79 54.58 1xti n ASP 253 Cb 0.41 -0.94 -0.04 0.00 -1.14 0.00 0.00 41.12 39.42 1xti n ASP 253 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1xti n GLU 254 N 1.05 0.66 -2.00 0.11 1.02 -1.26 -4.79 120.64 115.43 1xti n GLU 254 Ca 0.06 0.23 -0.42 0.00 -0.02 0.00 0.00 57.16 57.01 1xti n GLU 254 Cb 0.51 -1.55 -0.03 0.00 -0.02 0.00 0.00 31.44 30.35 1xti n GLU 254 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1xti s THR 255 N -0.58 3.46 0.76 2.62 -4.23 -1.26 -4.92 115.64 111.50 1xti s THR 255 Ca 0.70 0.45 -0.16 0.00 -1.18 0.00 0.00 61.69 61.51 1xti s THR 255 Cb -0.91 -3.68 -0.04 0.00 1.34 0.00 0.00 72.50 69.21 1xti s THR 255 CO 0.56 -0.47 0.38 1.17 -0.54 0.00 0.00 174.62 175.72 1xti n LYS 256 N 8.51 0.17 -3.15 3.99 4.81 -1.26 -5.01 118.16 126.22 1xti n LYS 256 Ca 0.23 0.09 -0.21 0.00 -0.87 0.00 0.00 58.31 57.55 1xti n LYS 256 Cb 0.47 -1.72 0.01 0.00 0.02 0.00 0.00 35.03 33.81 1xti n LYS 256 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1xti s LEU 257 N 0.55 3.74 0.10 3.14 1.43 -1.26 -5.13 118.68 121.26 1xti s LEU 257 Ca 0.62 0.03 0.03 0.00 -1.03 0.00 0.00 54.13 53.77 1xti s LEU 257 Cb -0.33 -2.94 -0.04 0.00 0.03 0.00 0.00 46.19 42.91 1xti s LEU 257 CO 0.62 -0.64 -0.08 0.42 0.23 0.00 0.00 176.35 176.90 1xti s THR 258 N -2.41 0.84 -2.74 5.49 -4.23 -1.26 -5.02 115.64 106.31 1xti s THR 258 Ca 0.48 -1.83 0.25 0.00 -1.18 0.00 0.00 61.69 59.41 1xti s THR 258 Cb -0.10 -1.56 0.26 0.00 1.34 0.00 0.00 72.50 72.44 1xti s THR 258 CO 0.35 -0.74 1.37 0.18 -0.54 0.00 0.00 174.62 175.24 1xti n LEU 259 N 0.17 2.47 -4.69 4.79 4.77 -1.26 -4.41 117.00 118.85 1xti n LEU 259 Ca -0.13 -0.83 -0.51 0.00 -0.03 0.00 0.00 56.01 54.50 1xti n LEU 259 Cb 0.60 -0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.63 1xti n LEU 259 CO 0.29 0.42 1.43 1.57 -1.33 0.00 0.00 177.39 179.76 1xti n HIS 260 N 0.86 2.23 -0.31 -1.77 -0.00 -1.26 -1.64 115.22 113.33 1xti n HIS 260 Ca 0.15 0.18 0.00 0.00 0.46 0.00 0.00 57.72 58.50 1xti n HIS 260 Cb 0.52 -2.59 0.00 0.00 -0.12 0.00 0.00 29.99 27.80 1xti n HIS 260 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1xti n GLY 261 N 4.30 0.79 3.88 1.57 0.00 -1.26 -4.93 105.19 109.53 1xti n GLY 261 Ca 0.24 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.93 1xti n GLY 261 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xti s LEU 262 N 0.00 4.23 -0.20 0.99 1.43 -0.65 -4.34 118.68 120.15 1xti s LEU 262 Ca 0.00 0.84 -0.15 0.00 -1.03 0.00 0.00 54.13 53.79 1xti s LEU 262 Cb 0.00 -3.46 -0.04 0.00 0.03 0.00 0.00 46.19 42.72 1xti s LEU 262 CO 0.00 0.01 0.36 -1.10 0.23 0.00 0.00 176.35 175.85 1xti s GLN 263 N -2.57 4.18 -0.06 1.70 -1.52 0.09 -4.97 119.66 116.50 1xti s GLN 263 Ca 0.43 0.14 0.02 0.00 -1.95 0.00 0.00 55.36 54.01 1xti s GLN 263 Cb -0.12 -3.52 0.01 0.00 -0.22 0.00 0.00 33.01 29.16 1xti s GLN 263 CO 0.21 0.02 -0.12 -0.65 -0.25 0.00 0.00 175.29 174.50 1xti s GLN 264 N 1.14 1.64 0.25 2.91 -0.21 -1.26 -0.16 119.66 123.97 1xti s GLN 264 Ca 0.18 -0.41 -0.03 0.00 0.02 0.00 0.00 55.36 55.12 1xti s GLN 264 Cb -0.14 -1.37 -0.02 0.00 1.00 0.00 0.00 33.01 32.47 1xti s GLN 264 CO 0.07 0.04 0.28 0.71 -2.12 0.00 0.00 175.29 174.27 1xti s TYR 265 N 0.62 1.05 0.09 0.91 1.51 -0.00 -3.51 117.35 118.01 1xti s TYR 265 Ca -0.13 -1.26 -0.07 0.00 -1.01 0.00 0.00 57.07 54.60 1xti s TYR 265 Cb -0.15 -0.34 -0.01 0.00 -0.11 0.00 0.00 41.96 41.35 1xti s TYR 265 CO 0.03 -0.83 0.15 1.52 -1.11 0.00 0.00 175.55 175.32 1xti s TYR 266 N -3.86 0.27 -0.05 2.71 -0.85 -0.45 -1.08 117.35 114.05 1xti s TYR 266 Ca 0.34 -0.71 0.00 0.00 -0.52 0.00 0.00 57.07 56.18 1xti s TYR 266 Cb 0.03 -0.14 0.03 0.00 0.38 0.00 0.00 41.96 42.26 1xti s TYR 266 CO 0.15 -0.53 -0.02 0.08 -1.52 0.00 0.00 175.55 173.72 1xti s VAL 267 N -3.89 0.36 -0.25 -3.49 1.01 0.98 -1.44 120.40 113.69 1xti s VAL 267 Ca 0.07 0.02 -0.20 0.00 0.00 0.00 0.00 61.98 61.88 1xti s VAL 267 Cb 0.05 -0.45 -0.02 0.00 0.00 0.00 0.00 36.38 35.96 1xti s VAL 267 CO -0.09 0.21 0.59 -0.54 0.00 0.00 0.00 175.10 175.27 1xti s LYS 268 N 1.27 4.11 0.13 2.72 1.02 -1.26 0.08 119.74 127.80 1xti s LYS 268 Ca -0.06 0.48 -0.23 0.00 0.02 0.00 0.00 55.97 56.18 1xti s LYS 268 Cb -0.13 -3.64 0.07 0.00 -0.52 0.00 0.00 37.83 33.60 1xti s LYS 268 CO -0.02 -0.37 0.59 -0.48 -0.92 0.00 0.00 175.35 174.14 1xti s LEU 269 N 2.38 -0.47 0.82 3.17 2.34 0.05 -4.93 118.68 122.03 1xti s LEU 269 Ca 0.25 0.05 -0.11 0.00 0.06 0.00 0.00 54.13 54.38 1xti s LEU 269 Cb -0.16 2.50 0.08 0.00 -0.56 0.00 0.00 46.19 48.06 1xti s LEU 269 CO 0.09 -0.91 1.09 -0.54 -1.06 0.00 0.00 176.35 175.01 1xti s LYS 270 N -3.45 1.92 0.20 1.48 3.01 -1.26 -3.60 119.74 118.04 1xti s LYS 270 Ca -0.00 0.94 -0.09 0.00 -1.01 0.00 0.00 55.97 55.81 1xti s LYS 270 Cb -0.01 -1.88 0.12 0.00 -1.01 0.00 0.00 37.83 35.05 1xti s LYS 270 CO -0.10 -1.81 1.73 0.22 0.51 0.00 0.00 175.35 175.90 1xti h ASP 271 N -1.24 1.03 0.00 2.83 3.58 -1.95 -2.27 116.42 118.40 1xti h ASP 271 Ca -0.46 -0.21 0.00 0.00 0.42 0.00 0.00 57.03 56.78 1xti h ASP 271 Cb 1.25 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 42.03 1xti h ASP 271 CO 0.54 0.96 0.00 -0.46 -2.88 0.00 0.00 179.24 177.41 1xti n ASN 272 N -4.30 0.00 -0.13 2.28 6.94 -1.26 -2.00 115.26 116.79 1xti n ASN 272 Ca 0.05 -1.34 0.06 0.00 -0.02 0.00 0.00 54.58 53.34 1xti n ASN 272 Cb 0.22 0.00 -0.04 0.00 -2.36 0.00 0.00 39.78 37.60 1xti n ASN 272 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1xti n GLU 273 N -0.69 2.44 -0.01 -3.83 1.02 -0.86 -4.69 120.64 114.03 1xti n GLU 273 Ca 0.07 -0.32 -0.12 0.00 -0.02 0.00 0.00 57.16 56.78 1xti n GLU 273 Cb 0.03 -1.13 -0.06 0.00 -0.02 0.00 0.00 31.44 30.26 1xti n GLU 273 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1xti h LYS 274 N 0.65 0.12 -0.57 3.49 1.57 -1.36 -2.65 116.57 117.82 1xti h LYS 274 Ca 0.00 -0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.80 1xti h LYS 274 Cb 0.36 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.61 1xti h LYS 274 CO 0.00 0.20 0.32 -0.91 -0.57 0.00 0.00 179.45 178.49 1xti h ASN 275 N 0.01 0.50 -0.15 0.86 2.35 -1.84 0.20 115.58 117.51 1xti h ASN 275 Ca 0.03 0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1xti h ASN 275 Cb 0.12 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 1xti h ASN 275 CO -0.00 0.34 0.09 -0.09 -1.65 0.00 0.00 177.43 176.12 1xti h ARG 276 N 0.63 0.21 -0.27 0.81 9.65 -1.87 -0.43 114.38 123.10 1xti h ARG 276 Ca 0.24 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 59.09 1xti h ARG 276 Cb 0.09 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.62 1xti h ARG 276 CO -0.13 0.19 0.14 -0.22 2.80 0.00 0.00 179.97 182.75 1xti h LYS 277 N 0.17 0.39 0.32 0.20 1.63 -1.14 0.04 116.57 118.17 1xti h LYS 277 Ca 0.05 -0.05 -0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1xti h LYS 277 Cb 0.04 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 31.58 1xti h LYS 277 CO -0.01 0.36 -0.28 1.25 -3.45 0.00 0.00 179.45 177.33 1xti h LEU 278 N 0.32 -0.73 -0.89 5.20 5.85 -0.46 -0.91 115.31 123.69 1xti h LEU 278 Ca 0.10 0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.90 1xti h LEU 278 Cb 0.09 0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.31 1xti h LEU 278 CO -0.01 -0.41 0.58 -0.26 -0.34 0.00 0.00 178.44 178.00 1xti h PHE 279 N -0.61 1.09 -0.51 1.25 0.04 -0.98 0.04 116.94 117.26 1xti h PHE 279 Ca -0.02 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.76 1xti h PHE 279 Cb 0.54 -0.36 -0.02 0.00 2.20 0.00 0.00 35.95 38.31 1xti h PHE 279 CO -0.15 0.65 0.26 -0.44 -0.60 0.00 0.00 178.31 178.02 1xti h ASP 280 N 1.15 0.66 -0.30 2.17 3.45 -0.83 -1.24 116.42 121.48 1xti h ASP 280 Ca 0.34 -0.12 -0.05 0.00 0.43 0.00 0.00 57.03 57.63 1xti h ASP 280 Cb -0.05 -0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 38.53 1xti h ASP 280 CO -0.10 0.59 0.03 -0.07 -1.57 0.00 0.00 179.24 178.12 1xti h LEU 281 N 0.68 0.58 -1.13 1.55 3.38 -0.61 -1.88 115.31 117.88 1xti h LEU 281 Ca 0.18 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 1xti h LEU 281 Cb 0.10 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1xti h LEU 281 CO -0.02 0.63 -0.22 -0.07 0.09 0.00 0.00 178.44 178.84 1xti h LEU 282 N 0.59 0.34 -0.78 1.67 3.38 -0.45 0.79 115.31 120.84 1xti h LEU 282 Ca 0.13 -0.10 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 1xti h LEU 282 Cb 0.33 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1xti h LEU 282 CO 0.01 0.57 -0.56 0.44 0.09 0.00 0.00 178.44 178.99 1xti h ASP 283 N 0.31 0.15 0.03 -0.43 3.45 -0.47 -3.37 116.42 116.10 1xti h ASP 283 Ca 0.05 -0.08 -0.36 0.00 0.43 0.00 0.00 57.03 57.07 1xti h ASP 283 Cb 0.56 -0.04 -0.05 0.00 -0.56 0.00 0.00 39.33 39.24 1xti h ASP 283 CO 0.04 0.68 -2.06 0.52 -1.57 0.00 0.00 179.24 176.85 1xti n VAL 284 N -3.89 1.59 -2.48 -1.35 0.31 -0.86 -4.95 118.33 106.71 1xti n VAL 284 Ca -0.02 -0.41 -0.41 0.00 -0.01 0.00 0.00 64.34 63.49 1xti n VAL 284 Cb 0.58 -1.77 -0.04 0.00 -0.91 0.00 0.00 33.84 31.70 1xti n VAL 284 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1xti s LEU 285 N -7.24 4.45 0.28 7.52 1.43 0.24 -5.02 118.68 120.35 1xti s LEU 285 Ca -0.31 2.07 -0.22 0.00 -1.03 0.00 0.00 54.13 54.64 1xti s LEU 285 Cb 0.09 -3.60 -0.09 0.00 0.03 0.00 0.00 46.19 42.62 1xti s LEU 285 CO 0.62 -0.30 0.83 -1.61 0.23 0.00 0.00 176.35 176.12 1xti s GLU 286 N 0.03 4.37 -0.02 1.70 2.02 -1.26 -4.84 118.70 120.71 1xti s GLU 286 Ca 0.52 1.06 -0.28 0.00 0.02 0.00 0.00 54.97 56.29 1xti s GLU 286 Cb -0.29 -2.77 0.10 0.00 0.10 0.00 0.00 34.13 31.26 1xti s GLU 286 CO 0.34 0.30 0.84 -0.59 0.02 0.00 0.00 175.26 176.17 1xti s PHE 287 N -1.63 -0.42 -0.22 1.61 -0.71 -1.26 -4.96 117.98 110.39 1xti s PHE 287 Ca 0.48 0.42 -0.17 0.00 -1.04 0.00 0.00 56.93 56.62 1xti s PHE 287 Cb -0.17 0.51 -0.13 0.00 -1.21 0.00 0.00 43.02 42.02 1xti s PHE 287 CO 0.21 -0.56 -0.09 0.09 -1.34 0.00 0.00 175.22 173.54 1xti n ASN 288 N 0.07 1.89 -4.09 1.98 4.13 -1.26 -5.00 115.26 112.99 1xti n ASN 288 Ca -0.11 0.41 -0.09 0.00 1.68 0.00 0.00 54.58 56.47 1xti n ASN 288 Cb 0.61 -0.88 -0.10 0.00 -1.54 0.00 0.00 39.78 37.86 1xti n ASN 288 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1xti s GLN 289 N -2.45 0.60 0.01 3.52 -0.21 -0.22 -4.71 119.66 116.21 1xti s GLN 289 Ca -0.30 -1.07 0.00 0.00 0.02 0.00 0.00 55.36 54.01 1xti s GLN 289 Cb 0.08 0.02 -0.01 0.00 1.00 0.00 0.00 33.01 34.10 1xti s GLN 289 CO 0.49 -0.05 -0.03 0.08 -2.12 0.00 0.00 175.29 173.66 1xti s VAL 290 N -3.04 0.13 -0.10 1.09 1.01 0.87 -0.84 120.40 119.53 1xti s VAL 290 Ca 0.02 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 61.49 1xti s VAL 290 Cb 0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 36.38 36.18 1xti s VAL 290 CO -0.06 -0.26 -0.21 -0.69 0.00 0.00 0.00 175.10 173.89 1xti s VAL 291 N -0.81 2.36 -0.16 2.92 1.01 -0.38 -1.20 120.40 124.15 1xti s VAL 291 Ca -0.08 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 60.99 1xti s VAL 291 Cb -0.06 -1.92 0.01 0.00 0.00 0.00 0.00 36.38 34.42 1xti s VAL 291 CO -0.00 0.55 -0.20 -0.63 0.00 0.00 0.00 175.10 174.82 1xti s ILE 292 N 0.19 2.13 -0.16 2.22 1.01 0.14 -0.36 121.20 126.37 1xti s ILE 292 Ca -0.12 -0.94 -0.07 0.00 0.00 0.00 0.00 60.65 59.51 1xti s ILE 292 Cb -0.16 -1.87 -0.04 0.00 0.01 0.00 0.00 42.46 40.39 1xti s ILE 292 CO 0.07 0.54 0.09 -0.36 0.00 0.00 0.00 174.94 175.28 1xti s PHE 293 N 1.03 3.37 0.27 3.97 0.40 0.42 -0.14 117.98 127.31 1xti s PHE 293 Ca -0.02 0.28 0.05 0.00 -0.60 0.00 0.00 56.93 56.64 1xti s PHE 293 Cb -0.14 -2.03 -0.06 0.00 0.51 0.00 0.00 43.02 41.30 1xti s PHE 293 CO -0.07 0.38 -0.03 0.14 0.70 0.00 0.00 175.22 176.35 1xti s VAL 294 N -0.15 1.40 -0.51 -0.44 -7.23 -0.46 -1.51 120.40 111.49 1xti s VAL 294 Ca 0.09 -2.08 0.24 0.00 -1.81 0.00 0.00 61.98 58.42 1xti s VAL 294 Cb -0.12 -2.46 0.17 0.00 0.56 0.00 0.00 36.38 34.53 1xti s VAL 294 CO 0.01 -0.27 1.43 0.07 -0.31 0.00 0.00 175.10 176.03 1xti h LYS 295 N 2.31 0.00 -4.41 4.82 2.10 -1.88 -3.38 116.57 116.15 1xti h LYS 295 Ca -0.40 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.06 1xti h LYS 295 Cb 1.23 0.00 -0.14 0.00 -0.90 0.00 0.00 32.23 32.42 1xti h LYS 295 CO 0.67 0.00 -0.56 -1.54 -2.00 0.00 0.00 179.45 176.02 1xti s SER 296 N -5.09 0.16 0.09 7.07 1.04 -1.26 -5.04 113.70 110.68 1xti s SER 296 Ca 0.06 -1.26 -0.17 0.00 0.48 0.00 0.00 55.95 55.06 1xti s SER 296 Cb 0.10 0.38 -0.07 0.00 0.10 0.00 0.00 66.02 66.53 1xti s SER 296 CO 0.70 -0.84 1.52 0.58 0.98 0.00 0.00 173.24 176.17 1xti h VAL 297 N 2.65 1.27 -0.57 5.02 2.07 -1.98 -0.63 116.25 124.07 1xti h VAL 297 Ca -0.34 -1.01 0.05 0.00 0.82 0.00 0.00 66.70 66.22 1xti h VAL 297 Cb 1.23 1.34 -0.05 0.00 -1.52 0.00 0.00 31.29 32.29 1xti h VAL 297 CO 0.53 0.32 0.30 -0.61 0.02 0.00 0.00 177.57 178.13 1xti h GLN 298 N 0.32 0.55 -0.49 1.57 -0.00 -1.99 0.63 115.11 115.70 1xti h GLN 298 Ca 0.08 -0.03 -0.09 0.00 -0.00 0.00 0.00 58.65 58.61 1xti h GLN 298 Cb 0.48 -0.12 -0.02 0.00 0.00 0.00 0.00 27.48 27.82 1xti h GLN 298 CO 0.02 0.37 -0.04 0.00 0.00 0.00 0.00 178.83 179.18 1xti h ARG 299 N 0.57 0.89 -0.09 1.69 2.47 -1.94 -2.15 114.38 115.83 1xti h ARG 299 Ca 0.25 -0.31 -0.00 0.00 -1.26 0.00 0.00 59.98 58.67 1xti h ARG 299 Cb 0.16 -0.07 -0.00 0.00 -1.65 0.00 0.00 29.97 28.40 1xti h ARG 299 CO -0.17 0.95 0.04 0.00 0.56 0.00 0.00 179.97 181.35 1xti h ILE 301 N 0.03 1.19 0.04 0.00 2.04 -0.90 -1.94 117.51 117.97 1xti h ILE 301 Ca 0.03 -0.54 -0.00 0.00 1.00 0.00 0.00 64.86 65.35 1xti h ILE 301 Cb 0.10 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 1xti h ILE 301 CO -0.00 0.21 -0.02 0.00 0.00 0.00 0.00 178.15 178.33 1xti h ALA 302 N 1.06 -0.06 -0.61 1.87 0.00 -1.28 -1.26 119.26 118.97 1xti h ALA 302 Ca 0.16 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1xti h ALA 302 Cb 0.13 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1xti h ALA 302 CO -0.02 -0.37 0.39 1.25 0.00 0.00 0.00 179.25 180.50 1xti h LEU 303 N -0.38 0.65 -0.78 0.00 5.85 -0.94 -0.34 115.31 119.36 1xti h LEU 303 Ca -0.01 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 1xti h LEU 303 Cb 0.35 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 1xti h LEU 303 CO 0.01 0.46 0.33 0.00 -0.34 0.00 0.00 178.44 178.90 1xti h ALA 304 N 1.25 1.01 -0.46 1.25 0.00 -1.34 -0.98 119.26 119.99 1xti h ALA 304 Ca 0.24 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1xti h ALA 304 Cb -0.02 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1xti h ALA 304 CO -0.08 0.62 0.17 0.37 0.00 0.00 0.00 179.25 180.33 1xti h GLN 305 N 1.13 0.70 -0.43 0.00 4.15 -0.60 -1.27 115.11 118.79 1xti h GLN 305 Ca 0.26 -0.13 0.00 0.00 0.77 0.00 0.00 58.65 59.55 1xti h GLN 305 Cb 0.18 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.74 1xti h GLN 305 CO -0.03 0.64 0.28 1.25 -1.93 0.00 0.00 178.83 179.05 1xti h LEU 306 N 0.60 0.50 0.05 -2.39 5.85 -0.75 0.24 115.31 119.41 1xti h LEU 306 Ca 0.15 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 1xti h LEU 306 Cb 0.21 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.12 1xti h LEU 306 CO -0.01 0.37 -0.03 -0.07 -0.34 0.00 0.00 178.44 178.36 1xti h LEU 307 N 0.58 -0.08 -0.84 2.25 3.38 -0.99 -0.56 115.31 119.05 1xti h LEU 307 Ca 0.16 0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.24 1xti h LEU 307 Cb -0.06 0.02 -0.08 0.00 0.09 0.00 0.00 40.66 40.64 1xti h LEU 307 CO -0.03 -0.05 0.47 0.58 0.09 0.00 0.00 178.44 179.49 1xti h VAL 308 N -0.08 0.86 -0.10 1.22 2.07 -0.92 0.99 116.25 120.30 1xti h VAL 308 Ca -0.00 -0.26 -0.07 0.00 0.82 0.00 0.00 66.70 67.19 1xti h VAL 308 Cb 0.07 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 29.87 1xti h VAL 308 CO 0.00 0.14 -0.24 -0.33 0.02 0.00 0.00 177.57 177.16 1xti h GLU 309 N 0.76 0.16 -0.69 1.57 5.08 -0.56 -2.28 114.58 118.62 1xti h GLU 309 Ca 0.42 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 1xti h GLU 309 Cb 0.44 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1xti h GLU 309 CO -0.28 0.40 0.00 1.04 -1.00 0.00 0.00 179.01 179.18 1xti n GLN 310 N -4.19 2.23 -3.42 2.33 1.13 0.11 -4.88 117.38 110.69 1xti n GLN 310 Ca -0.01 -1.12 -0.21 0.00 -1.94 0.00 0.00 57.00 53.72 1xti n GLN 310 Cb 0.34 -1.63 0.07 0.00 0.11 0.00 0.00 30.24 29.13 1xti n GLN 310 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1xti n ASN 311 N 0.25 -5.86 -3.81 1.08 4.13 -0.86 -4.96 115.26 105.23 1xti n ASN 311 Ca 0.10 -0.46 -0.28 0.00 1.68 0.00 0.00 54.58 55.62 1xti n ASN 311 Cb 0.50 -4.50 -0.11 0.00 -1.54 0.00 0.00 39.78 34.13 1xti n ASN 311 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 1xti n PHE 312 N -4.69 3.17 -1.37 3.10 3.72 0.10 -5.00 117.46 116.49 1xti n PHE 312 Ca -0.00 -4.26 -0.57 0.00 -0.05 0.00 0.00 57.45 52.57 1xti n PHE 312 Cb 0.56 -0.59 -0.10 0.00 -0.94 0.00 0.00 39.48 38.41 1xti n PHE 312 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1xti n PRO 313 N 1.82 0.41 -4.37 -1.08 -0.02 -1.26 -3.17 135.00 127.33 1xti n PRO 313 Ca 0.22 0.12 -0.19 0.00 -2.02 0.00 0.00 63.50 61.63 1xti n PRO 313 Cb 0.36 -1.84 -0.10 0.00 -0.02 0.00 0.00 33.50 31.90 1xti n PRO 313 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xti s ALA 314 N 6.11 2.02 0.01 3.55 0.00 -1.26 -3.04 121.76 129.15 1xti s ALA 314 Ca 1.15 -1.79 0.03 0.00 0.00 0.00 0.00 51.96 51.35 1xti s ALA 314 Cb -1.27 0.29 -0.01 0.00 0.00 0.00 0.00 23.12 22.13 1xti s ALA 314 CO 0.61 -0.14 -0.10 -1.50 0.00 0.00 0.00 175.76 174.63 1xti s ILE 315 N -3.21 0.82 -0.10 0.00 2.07 0.04 -4.93 121.20 115.89 1xti s ILE 315 Ca 0.27 -0.59 -0.01 0.00 -1.41 0.00 0.00 60.65 58.91 1xti s ILE 315 Cb 0.04 -0.72 -0.03 0.00 0.13 0.00 0.00 42.46 41.89 1xti s ILE 315 CO 0.09 0.13 -0.05 0.00 -1.91 0.00 0.00 174.94 173.20 1xti s ALA 316 N -0.45 3.01 -0.19 1.50 0.00 -1.26 -0.36 121.76 124.02 1xti s ALA 316 Ca 0.02 -0.85 -0.04 0.00 0.00 0.00 0.00 51.96 51.09 1xti s ALA 316 Cb -0.05 -1.37 0.06 0.00 0.00 0.00 0.00 23.12 21.76 1xti s ALA 316 CO 0.00 0.44 0.06 0.42 0.00 0.00 0.00 175.76 176.68 1xti s ILE 317 N -0.36 0.29 0.26 0.00 1.01 -0.70 -4.98 121.20 116.72 1xti s ILE 317 Ca 0.06 -0.44 0.03 0.00 0.00 0.00 0.00 60.65 60.30 1xti s ILE 317 Cb -0.12 -0.88 -0.05 0.00 0.01 0.00 0.00 42.46 41.41 1xti s ILE 317 CO 0.02 -0.26 0.03 -1.38 0.00 0.00 0.00 174.94 173.35 1xti s HIS 318 N 1.96 1.66 -2.00 3.97 -3.43 -1.26 -2.86 115.29 113.33 1xti s HIS 318 Ca 0.01 -0.98 0.01 0.00 -0.80 0.00 0.00 55.06 53.30 1xti s HIS 318 Cb -0.17 -1.00 0.06 0.00 -1.43 0.00 0.00 32.58 30.05 1xti s HIS 318 CO -0.10 -0.08 0.29 2.89 -2.00 0.00 0.00 174.74 175.74 1xti n ARG 319 N -0.49 0.17 -1.35 -0.38 1.85 -1.26 -2.53 116.66 112.66 1xti n ARG 319 Ca -0.03 0.00 -0.11 0.00 -1.00 0.00 0.00 57.85 56.71 1xti n ARG 319 Cb 0.65 -1.10 0.11 0.00 -1.05 0.00 0.00 32.46 31.07 1xti n ARG 319 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1xti n GLY 320 N -0.40 5.79 3.11 2.89 0.00 -1.26 -5.00 105.19 110.32 1xti n GLY 320 Ca 0.01 -2.01 -0.17 0.00 0.00 0.00 0.00 46.02 43.84 1xti n GLY 320 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1xti s MET 321 N -3.44 0.73 0.31 1.61 -1.94 -1.05 -5.12 119.30 110.41 1xti s MET 321 Ca 0.46 -0.76 -0.29 0.00 -1.71 0.00 0.00 55.69 53.39 1xti s MET 321 Cb 0.40 -0.67 -0.11 0.00 2.01 0.00 0.00 34.83 36.46 1xti s MET 321 CO -0.01 0.15 1.47 -2.14 -0.01 0.00 0.00 175.02 174.48 1xti s PRO 322 N -1.34 4.20 0.39 2.03 0.02 -1.26 -4.70 135.00 134.33 1xti s PRO 322 Ca -0.03 2.44 0.20 0.00 0.02 0.00 0.00 61.00 63.63 1xti s PRO 322 Cb -0.09 -3.04 1.17 0.00 0.02 0.00 0.00 34.50 32.56 1xti s PRO 322 CO 0.01 -0.47 1.70 0.37 -0.33 0.00 0.00 177.00 178.28 1xti h GLN 323 N 4.09 0.30 -0.61 5.54 4.15 -1.98 0.91 115.11 127.51 1xti h GLN 323 Ca -0.48 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 58.92 1xti h GLN 323 Cb 1.23 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.82 1xti h GLN 323 CO 0.72 0.20 0.37 1.05 -1.93 0.00 0.00 178.83 179.24 1xti h GLU 324 N 0.31 0.83 0.03 1.69 4.11 -1.95 0.14 114.58 119.73 1xti h GLU 324 Ca 0.69 -0.07 -0.28 0.00 0.07 0.00 0.00 59.36 59.78 1xti h GLU 324 Cb 1.81 -0.18 0.02 0.00 0.50 0.00 0.00 28.75 30.90 1xti h GLU 324 CO -0.43 0.58 -1.09 1.49 0.07 0.00 0.00 179.01 179.63 1xti h GLU 325 N 0.84 0.68 -0.57 1.06 4.57 0.45 -1.80 114.58 119.82 1xti h GLU 325 Ca 0.22 -0.78 -0.02 0.00 -1.18 0.00 0.00 59.36 57.61 1xti h GLU 325 Cb -0.03 0.23 -0.03 0.00 -0.16 0.00 0.00 28.75 28.76 1xti h GLU 325 CO -0.04 1.34 0.30 0.00 -1.18 0.00 0.00 179.01 179.43 1xti h ARG 326 N 0.36 0.80 -0.42 1.92 3.08 -0.68 -0.80 114.38 118.65 1xti h ARG 326 Ca -0.15 -0.10 -0.07 0.00 0.07 0.00 0.00 59.98 59.73 1xti h ARG 326 Cb 1.75 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 31.64 1xti h ARG 326 CO 0.21 0.63 -0.03 -0.07 -1.07 0.00 0.00 179.97 179.65 1xti h LEU 327 N 0.77 0.75 -1.13 3.04 3.38 -0.78 -1.81 115.31 119.52 1xti h LEU 327 Ca 0.20 -0.32 -0.07 0.00 0.09 0.00 0.00 57.88 57.77 1xti h LEU 327 Cb 0.08 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1xti h LEU 327 CO -0.03 0.90 -0.14 -1.28 0.09 0.00 0.00 178.44 177.98 1xti h SER 328 N 0.59 0.43 -0.05 -0.43 0.87 -1.13 -1.79 113.55 112.05 1xti h SER 328 Ca 0.12 -0.11 -0.21 0.00 -1.23 0.00 0.00 61.79 60.35 1xti h SER 328 Cb 0.53 -0.12 0.01 0.00 -0.44 0.00 0.00 62.40 62.39 1xti h SER 328 CO 0.03 0.60 -0.81 0.03 -0.53 0.00 0.00 176.83 176.15 1xti h ARG 329 N 0.42 0.63 0.00 2.24 3.08 -1.05 -1.86 114.38 117.84 1xti h ARG 329 Ca 0.08 -0.62 -0.04 0.00 0.07 0.00 0.00 59.98 59.48 1xti h ARG 329 Cb 0.49 0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 1xti h ARG 329 CO 0.03 1.22 -0.17 -0.92 -1.07 0.00 0.00 179.97 179.06 1xti h TYR 330 N 0.27 0.00 -0.05 3.04 3.20 -1.22 -1.12 116.97 121.09 1xti h TYR 330 Ca -0.09 0.00 -0.17 0.00 3.14 0.00 0.00 58.73 61.61 1xti h TYR 330 Cb 1.47 0.00 0.01 0.00 1.54 0.00 0.00 36.73 39.75 1xti h TYR 330 CO 0.11 0.17 -0.63 0.37 -1.64 0.00 0.00 178.16 176.55 1xti h GLN 331 N 0.00 0.52 -0.88 1.82 -0.00 -1.23 -2.27 115.11 113.06 1xti h GLN 331 Ca -0.00 -0.49 0.06 0.00 -0.00 0.00 0.00 58.65 58.22 1xti h GLN 331 Cb 0.47 0.12 -0.06 0.00 0.00 0.00 0.00 27.48 28.01 1xti h GLN 331 CO 0.02 1.12 0.55 1.96 0.00 0.00 0.00 178.83 182.49 1xti h GLN 332 N 0.10 0.97 -0.41 1.69 4.20 -0.56 -1.07 115.11 120.02 1xti h GLN 332 Ca -0.06 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.57 1xti h GLN 332 Cb 1.30 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 28.84 1xti h GLN 332 CO 0.13 0.64 0.17 0.35 -0.67 0.00 0.00 178.83 179.45 1xti h PHE 333 N 1.00 0.62 -0.58 2.96 3.57 -1.16 -2.53 116.94 120.83 1xti h PHE 333 Ca 0.39 -0.04 0.06 0.00 3.53 0.00 0.00 57.97 61.91 1xti h PHE 333 Cb 0.18 -0.19 -0.06 0.00 2.79 0.00 0.00 35.95 38.67 1xti h PHE 333 CO -0.03 0.54 0.28 0.87 -2.23 0.00 0.00 178.31 177.74 1xti h LYS 334 N 0.52 0.50 -0.01 1.11 1.57 -0.73 0.26 116.57 119.80 1xti h LYS 334 Ca 0.14 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1xti h LYS 334 Cb 0.18 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1xti h LYS 334 CO -0.01 0.33 0.00 -0.25 -0.57 0.00 0.00 179.45 178.95 1xti n ASP 335 N -4.90 0.01 -4.00 0.86 9.92 -0.49 -4.72 116.55 113.23 1xti n ASP 335 Ca 0.07 -0.13 -0.28 0.00 -0.53 0.00 0.00 54.79 53.91 1xti n ASP 335 Cb 0.19 -0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 40.66 1xti n ASP 335 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 1xti n PHE 336 N -0.43 -1.76 0.08 1.24 7.35 0.93 -4.84 117.46 120.02 1xti n PHE 336 Ca 0.00 0.78 -0.11 0.00 -0.76 0.00 0.00 57.45 57.37 1xti n PHE 336 Cb 0.00 -3.61 -0.06 0.00 0.35 0.00 0.00 39.48 36.17 1xti n PHE 336 CO 0.00 0.00 0.00 0.37 -0.76 0.00 0.00 176.76 176.37 1xti h GLN 337 N -1.78 0.21 -3.97 -4.13 4.15 -1.58 -3.46 115.11 104.55 1xti h GLN 337 Ca -0.61 -0.27 -0.12 0.00 0.77 0.00 0.00 58.65 58.42 1xti h GLN 337 Cb 1.38 0.09 -0.16 0.00 0.21 0.00 0.00 27.48 28.99 1xti h GLN 337 CO 0.67 1.04 -0.56 1.03 -1.93 0.00 0.00 178.83 179.08 1xti s ARG 338 N -3.01 0.63 0.15 1.69 0.52 -1.26 -5.07 118.95 112.59 1xti s ARG 338 Ca -0.03 -0.95 0.24 0.00 -0.52 0.00 0.00 55.73 54.48 1xti s ARG 338 Cb 0.09 0.24 0.37 0.00 0.52 0.00 0.00 34.95 36.17 1xti s ARG 338 CO 0.84 -0.15 1.36 0.00 0.02 0.00 0.00 175.30 177.37 1xti h ARG 339 N 3.37 0.00 -4.64 3.54 3.08 -1.84 -3.47 114.38 114.42 1xti h ARG 339 Ca -0.33 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.20 1xti h ARG 339 Cb 1.17 0.00 -0.33 0.00 0.08 0.00 0.00 29.97 30.89 1xti h ARG 339 CO 0.56 0.00 -0.82 0.42 -1.07 0.00 0.00 179.97 179.07 1xti s ILE 340 N -3.18 1.17 -0.18 2.04 1.01 -1.17 -0.09 121.20 120.80 1xti s ILE 340 Ca 0.06 -0.51 -0.01 0.00 0.00 0.00 0.00 60.65 60.19 1xti s ILE 340 Cb 0.13 -1.05 -0.00 0.00 0.01 0.00 0.00 42.46 41.54 1xti s ILE 340 CO 0.71 0.36 -0.11 -0.22 0.00 0.00 0.00 174.94 175.68 1xti s LEU 341 N 0.56 2.61 -0.19 2.97 2.96 -0.34 -0.78 118.68 126.48 1xti s LEU 341 Ca -0.13 -0.45 -0.06 0.00 -0.22 0.00 0.00 54.13 53.27 1xti s LEU 341 Cb -0.15 -1.63 -0.03 0.00 0.50 0.00 0.00 46.19 44.88 1xti s LEU 341 CO 0.04 0.04 0.02 -0.69 -1.32 0.00 0.00 176.35 174.43 1xti s VAL 342 N 1.12 4.20 0.05 1.68 1.01 0.52 0.28 120.40 129.27 1xti s VAL 342 Ca 0.01 -0.23 -0.13 0.00 0.00 0.00 0.00 61.98 61.63 1xti s VAL 342 Cb -0.14 -2.89 0.02 0.00 0.00 0.00 0.00 36.38 33.36 1xti s VAL 342 CO -0.03 0.44 0.29 0.00 0.00 0.00 0.00 175.10 175.79 1xti s ALA 343 N 0.78 -0.61 0.06 5.51 0.00 0.81 -1.73 121.76 126.57 1xti s ALA 343 Ca 0.01 -0.10 0.06 0.00 0.00 0.00 0.00 51.96 51.93 1xti s ALA 343 Cb -0.14 0.36 -0.23 0.00 0.00 0.00 0.00 23.12 23.12 1xti s ALA 343 CO 0.02 -0.44 1.06 1.79 0.00 0.00 0.00 175.76 178.19 1xti h THR 344 N 3.12 1.41 0.00 0.00 1.35 -1.70 -1.23 112.91 115.86 1xti h THR 344 Ca -0.32 -3.14 0.00 0.00 -0.55 0.00 0.00 66.41 62.40 1xti h THR 344 Cb 1.20 2.74 0.00 0.00 -1.73 0.00 0.00 68.15 70.36 1xti h THR 344 CO 0.47 0.83 0.00 -0.46 -0.25 0.00 0.00 175.52 176.11 1xti n ASN 345 N -3.30 0.00 0.00 5.36 0.23 -1.26 -4.69 115.26 111.60 1xti n ASN 345 Ca -0.07 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.98 1xti n ASN 345 Cb 0.99 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.69 1xti n ASN 345 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1xti n LEU 346 N 0.00 0.00 -1.53 -4.53 4.77 -1.26 -4.84 117.00 109.61 1xti n LEU 346 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 1xti n LEU 346 Cb 0.00 0.00 0.14 0.00 -2.33 0.00 0.00 43.42 41.23 1xti n LEU 346 CO 0.00 0.00 0.63 0.49 -1.33 0.00 0.00 177.39 177.18 1xti n PHE 347 N 0.00 1.77 -3.56 -1.77 3.01 -1.26 -5.08 117.46 110.57 1xti n PHE 347 Ca 0.00 -1.96 0.00 0.00 1.01 0.00 0.00 57.45 56.50 1xti n PHE 347 Cb 0.00 -0.57 0.00 0.00 -0.01 0.00 0.00 39.48 38.90 1xti n PHE 347 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1xti n GLY 348 N -0.99 0.88 3.77 1.37 0.00 -1.26 -4.80 105.19 104.16 1xti n GLY 348 Ca 0.39 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1xti n GLY 348 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xti n ARG 349 N 0.00 0.00 -0.44 1.61 1.74 -1.26 -4.75 116.66 113.55 1xti n ARG 349 Ca 0.00 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 57.14 1xti n ARG 349 Cb 0.00 -3.77 -0.02 0.00 -1.02 0.00 0.00 32.46 27.65 1xti n ARG 349 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xti n GLY 350 N -2.00 -2.05 3.63 -0.13 0.00 -1.25 -4.51 105.19 98.89 1xti n GLY 350 Ca 0.00 -1.39 -0.45 0.00 0.00 0.00 0.00 46.02 44.18 1xti n GLY 350 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1xti n MET 351 N -2.88 2.24 0.00 1.61 0.00 0.14 -4.62 117.12 113.61 1xti n MET 351 Ca -0.01 0.76 0.05 0.00 -0.00 0.00 0.00 57.70 58.50 1xti n MET 351 Cb 0.20 -2.90 0.02 0.00 0.00 0.00 0.00 33.22 30.54 1xti n MET 351 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 1xti n ASP 352 N 8.59 1.42 -4.53 6.12 5.75 -1.26 0.40 116.55 133.03 1xti n ASP 352 Ca 0.26 -1.21 -0.43 0.00 -0.01 0.00 0.00 54.79 53.40 1xti n ASP 352 Cb 0.37 0.28 -0.07 0.00 -1.03 0.00 0.00 41.12 40.67 1xti n ASP 352 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1xti s ILE 353 N -1.08 4.82 -0.78 2.12 1.01 -1.26 -4.48 121.20 121.55 1xti s ILE 353 Ca 0.09 0.25 0.15 0.00 0.00 0.00 0.00 60.65 61.14 1xti s ILE 353 Cb 0.08 -4.19 0.15 0.00 0.01 0.00 0.00 42.46 38.50 1xti s ILE 353 CO 0.18 -0.55 1.48 -0.62 0.00 0.00 0.00 174.94 175.44 1xti n GLU 354 N 6.26 0.07 0.01 2.79 1.02 -1.26 -2.10 120.64 127.43 1xti n GLU 354 Ca -0.01 0.37 0.12 0.00 -0.02 0.00 0.00 57.16 57.63 1xti n GLU 354 Cb 0.48 -1.65 0.27 0.00 -0.02 0.00 0.00 31.44 30.53 1xti n GLU 354 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1xti n ARG 355 N -1.78 0.03 -2.51 3.49 1.74 -1.26 -4.79 116.66 111.58 1xti n ARG 355 Ca 0.02 0.01 -0.43 0.00 -0.77 0.00 0.00 57.85 56.68 1xti n ARG 355 Cb 0.15 -1.52 -0.02 0.00 -1.02 0.00 0.00 32.46 30.05 1xti n ARG 355 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1xti s VAL 356 N -3.02 4.31 -0.20 1.55 1.01 -0.89 -1.05 120.40 122.11 1xti s VAL 356 Ca 0.11 1.51 0.14 0.00 0.00 0.00 0.00 61.98 63.74 1xti s VAL 356 Cb 0.17 -4.24 -0.21 0.00 0.00 0.00 0.00 36.38 32.11 1xti s VAL 356 CO 0.69 -0.42 0.40 0.59 0.00 0.00 0.00 175.10 176.35 1xti n ASN 357 N 7.16 1.39 -3.87 3.32 3.02 -0.02 -4.93 115.26 121.33 1xti n ASN 357 Ca 0.13 -0.24 -0.13 0.00 -0.03 0.00 0.00 54.58 54.32 1xti n ASN 357 Cb 0.46 1.48 -0.14 0.00 -0.61 0.00 0.00 39.78 40.97 1xti n ASN 357 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1xti s ILE 358 N -2.82 0.05 -0.13 2.41 1.01 -1.24 -1.33 121.20 119.16 1xti s ILE 358 Ca -0.02 -0.01 0.01 0.00 0.00 0.00 0.00 60.65 60.63 1xti s ILE 358 Cb 0.10 -0.06 0.02 0.00 0.01 0.00 0.00 42.46 42.53 1xti s ILE 358 CO 0.60 0.02 -0.16 0.00 0.00 0.00 0.00 174.94 175.40 1xti s ALA 359 N 0.07 1.84 -0.19 9.38 0.00 0.07 -1.25 121.76 131.69 1xti s ALA 359 Ca -0.01 -0.85 -0.05 0.00 0.00 0.00 0.00 51.96 51.06 1xti s ALA 359 Cb -0.01 -0.94 -0.02 0.00 0.00 0.00 0.00 23.12 22.14 1xti s ALA 359 CO -0.00 -0.18 -0.01 -0.06 0.00 0.00 0.00 175.76 175.51 1xti s PHE 360 N 1.14 3.03 -1.10 0.00 0.40 0.51 -1.24 117.98 120.73 1xti s PHE 360 Ca -0.02 -0.43 -0.13 0.00 -0.60 0.00 0.00 56.93 55.75 1xti s PHE 360 Cb -0.14 -2.05 0.21 0.00 0.51 0.00 0.00 43.02 41.55 1xti s PHE 360 CO -0.05 -0.19 1.20 -0.80 0.70 0.00 0.00 175.22 176.08 1xti s ASN 361 N 0.83 7.08 0.36 1.36 0.01 -0.06 -0.44 114.94 124.09 1xti s ASN 361 Ca 0.00 -3.08 0.05 0.00 -0.71 0.00 0.00 52.86 49.12 1xti s ASN 361 Cb -0.14 -2.31 0.71 0.00 0.41 0.00 0.00 41.25 39.92 1xti s ASN 361 CO 0.02 -0.59 1.97 0.22 -1.51 0.00 0.00 177.10 177.21 1xti h TYR 362 N 7.23 0.78 -3.60 2.20 3.20 -1.54 -1.83 116.97 123.41 1xti h TYR 362 Ca 0.22 0.02 -0.64 0.00 3.14 0.00 0.00 58.73 61.48 1xti h TYR 362 Cb 0.91 -0.26 -0.32 0.00 1.54 0.00 0.00 36.73 38.60 1xti h TYR 362 CO 0.97 0.43 -0.86 -0.51 -1.64 0.00 0.00 178.16 176.55 1xti s ASP 363 N -6.27 2.72 0.31 -2.11 -0.00 -1.02 -4.64 116.67 105.65 1xti s ASP 363 Ca -0.10 -0.47 -0.29 0.00 -0.00 0.00 0.00 52.55 51.69 1xti s ASP 363 Cb 0.19 -1.06 -0.13 0.00 -0.00 0.00 0.00 42.92 41.92 1xti s ASP 363 CO 0.77 0.16 1.23 0.80 -0.00 0.00 0.00 175.17 178.13 1xti n MET 364 N 3.38 1.89 -2.44 8.23 0.00 -1.26 -4.71 117.12 122.21 1xti n MET 364 Ca -0.19 0.66 -0.37 0.00 -0.00 0.00 0.00 57.70 57.80 1xti n MET 364 Cb 0.53 -2.20 -0.03 0.00 0.00 0.00 0.00 33.22 31.51 1xti n MET 364 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 1xti s PRO 365 N -1.52 4.08 0.09 2.12 0.04 -1.26 -4.91 135.00 133.63 1xti s PRO 365 Ca 0.59 1.63 -0.18 0.00 0.04 0.00 0.00 61.00 63.08 1xti s PRO 365 Cb -0.62 -2.56 -0.05 0.00 0.04 0.00 0.00 34.50 31.31 1xti s PRO 365 CO 0.59 -0.24 1.31 0.93 0.04 0.00 0.00 177.00 179.63 1xti h GLU 366 N 2.47 -0.05 0.00 4.56 5.08 -1.95 -3.45 114.58 121.24 1xti h GLU 366 Ca -0.48 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.34 1xti h GLU 366 Cb 1.22 0.01 -0.11 0.00 0.50 0.00 0.00 28.75 30.37 1xti h GLU 366 CO 0.62 -0.04 -0.43 -0.40 -1.00 0.00 0.00 179.01 177.76 1xti n ASP 367 N -4.27 1.90 -0.04 1.42 5.68 -1.26 -5.03 116.55 114.95 1xti n ASP 367 Ca 0.00 -3.00 -0.07 0.00 -0.50 0.00 0.00 54.79 51.22 1xti n ASP 367 Cb 0.16 0.74 0.10 0.00 -1.14 0.00 0.00 41.12 40.98 1xti n ASP 367 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1xti h SER 368 N 1.37 0.68 -0.97 -1.12 4.64 -1.87 -2.94 113.55 113.33 1xti h SER 368 Ca -0.32 -0.27 0.06 0.00 -0.47 0.00 0.00 61.79 60.79 1xti h SER 368 Cb 1.13 -0.19 -0.06 0.00 -0.31 0.00 0.00 62.40 62.97 1xti h SER 368 CO 0.52 0.95 0.63 0.44 -0.87 0.00 0.00 176.83 178.50 1xti h ASP 369 N 0.56 1.01 0.87 4.97 3.32 -1.98 -0.89 116.42 124.28 1xti h ASP 369 Ca 0.07 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.02 1xti h ASP 369 Cb 0.81 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 1xti h ASP 369 CO 0.07 0.66 -0.49 0.71 -1.72 0.00 0.00 179.24 178.46 1xti h THR 370 N 1.15 1.07 -0.24 0.35 1.35 -1.92 -2.42 112.91 112.25 1xti h THR 370 Ca 0.41 -1.87 -0.01 0.00 -0.55 0.00 0.00 66.41 64.39 1xti h THR 370 Cb 0.14 2.10 -0.01 0.00 -1.73 0.00 0.00 68.15 68.65 1xti h THR 370 CO -0.15 0.48 0.10 0.22 -0.25 0.00 0.00 175.52 175.91 1xti h TYR 371 N 0.00 0.37 -0.72 4.73 3.20 -1.03 -1.26 116.97 122.26 1xti h TYR 371 Ca -0.00 -0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.82 1xti h TYR 371 Cb 1.06 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 39.18 1xti h TYR 371 CO 0.00 0.39 0.36 1.25 -1.64 0.00 0.00 178.16 178.53 1xti h LEU 372 N 0.24 0.92 -1.14 2.82 5.85 -1.17 0.51 115.31 123.35 1xti h LEU 372 Ca 0.08 -0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.64 1xti h LEU 372 Cb 0.18 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 1xti h LEU 372 CO -0.01 0.78 -0.22 0.45 -0.34 0.00 0.00 178.44 179.10 1xti h HIS 373 N 0.99 0.00 0.04 1.25 3.86 -1.28 -1.81 115.15 118.21 1xti h HIS 373 Ca 0.25 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.39 1xti h HIS 373 Cb 0.08 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.56 1xti h HIS 373 CO 0.00 0.22 -0.34 0.00 0.86 0.00 0.00 177.93 178.68 1xti h ARG 374 N 0.00 0.08 0.17 2.45 3.08 -0.68 -3.32 114.38 116.17 1xti h ARG 374 Ca -0.00 -0.14 -0.33 0.00 0.07 0.00 0.00 59.98 59.57 1xti h ARG 374 Cb 0.73 0.05 0.01 0.00 0.08 0.00 0.00 29.97 30.84 1xti h ARG 374 CO 0.03 1.07 -1.63 0.28 -1.07 0.00 0.00 179.97 178.65 1xti h VAL 375 N -0.82 1.07 -4.02 2.04 2.07 -0.92 -3.40 116.25 112.27 1xti h VAL 375 Ca -0.07 -2.65 -0.54 0.00 0.82 0.00 0.00 66.70 64.26 1xti h VAL 375 Cb 1.21 2.80 0.12 0.00 -1.52 0.00 0.00 31.29 33.90 1xti h VAL 375 CO 0.02 0.84 0.64 0.00 0.02 0.00 0.00 177.57 179.09 1xti s ALA 376 N -2.60 3.00 -0.17 1.67 0.00 -0.68 -4.75 121.76 118.24 1xti s ALA 376 Ca -0.12 1.36 -0.08 0.00 0.00 0.00 0.00 51.96 53.12 1xti s ALA 376 Cb 0.06 -3.56 -0.04 0.00 0.00 0.00 0.00 23.12 19.57 1xti s ALA 376 CO 0.87 -1.25 0.09 1.03 0.00 0.00 0.00 175.76 176.50 1xti s ARG 377 N -2.70 3.86 -0.32 0.00 0.52 -1.26 0.24 118.95 119.29 1xti s ARG 377 Ca 0.67 -0.27 0.18 0.00 -0.52 0.00 0.00 55.73 55.78 1xti s ARG 377 Cb -0.41 -3.23 0.46 0.00 0.52 0.00 0.00 34.95 32.29 1xti s ARG 377 CO 0.50 0.41 0.96 0.00 0.02 0.00 0.00 175.30 177.19 1xti n ALA 378 N 3.13 3.43 -1.50 2.13 0.00 0.16 -4.84 120.51 123.03 1xti n ALA 378 Ca -0.17 -3.15 0.00 0.00 0.00 0.00 0.00 53.44 50.12 1xti n ALA 378 Cb 0.53 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 19.05 1xti n ALA 378 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xti n GLY 379 N -0.09 1.32 0.01 0.00 0.00 -1.23 -4.58 105.19 100.63 1xti n GLY 379 Ca 0.10 -1.71 0.11 0.00 0.00 0.00 0.00 46.02 44.51 1xti n GLY 379 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xti n ARG 380 N 0.00 0.19 0.13 1.61 1.74 -1.26 -4.89 116.66 114.18 1xti n ARG 380 Ca 0.00 -0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 1xti n ARG 380 Cb 0.00 -1.53 0.00 0.00 -1.02 0.00 0.00 32.46 29.91 1xti n ARG 380 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1xti n PHE 381 N -1.75 -2.96 -1.63 -1.55 3.01 -1.26 -5.13 117.46 106.18 1xti n PHE 381 Ca 0.02 0.74 -0.46 0.00 1.01 0.00 0.00 57.45 58.76 1xti n PHE 381 Cb 0.40 1.82 -0.03 0.00 -0.01 0.00 0.00 39.48 41.66 1xti n PHE 381 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1xti n GLY 382 N -0.07 0.50 0.00 1.37 0.00 -1.26 -4.92 105.19 100.81 1xti n GLY 382 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.53 1xti n GLY 382 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xti n THR 383 N 1.77 0.00 -3.58 2.61 -2.24 -1.26 -4.61 114.28 106.97 1xti n THR 383 Ca 0.13 -0.28 -0.31 0.00 -2.27 0.00 0.00 64.05 61.32 1xti n THR 383 Cb 0.29 0.85 -0.05 0.00 -2.10 0.00 0.00 70.33 69.31 1xti n THR 383 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1xti s LYS 384 N -0.91 3.67 -0.18 -0.78 1.02 -1.26 -4.47 119.74 116.83 1xti s LYS 384 Ca 0.00 0.01 -0.33 0.00 0.02 0.00 0.00 55.97 55.67 1xti s LYS 384 Cb 0.00 -2.78 0.14 0.00 -0.52 0.00 0.00 37.83 34.67 1xti s LYS 384 CO 0.00 0.41 1.17 0.20 -0.92 0.00 0.00 175.35 176.20 1xti s GLY 385 N -2.48 -0.24 -0.15 -3.33 0.00 -1.20 -4.78 107.32 95.13 1xti s GLY 385 Ca 0.43 1.82 -0.01 0.00 0.00 0.00 0.00 44.72 46.96 1xti s GLY 385 CO 0.24 0.69 -0.11 -2.27 0.00 0.00 0.00 173.10 171.65 1xti s LEU 386 N -1.84 2.73 -0.14 0.66 2.96 -0.44 -0.73 118.68 121.87 1xti s LEU 386 Ca 0.07 -0.36 0.01 0.00 -0.22 0.00 0.00 54.13 53.63 1xti s LEU 386 Cb -0.01 -1.63 -0.00 0.00 0.50 0.00 0.00 46.19 45.05 1xti s LEU 386 CO -0.05 0.11 -0.17 0.00 -1.32 0.00 0.00 176.35 174.92 1xti s ALA 387 N 0.65 2.42 -0.11 5.97 0.00 0.77 -0.75 121.76 130.72 1xti s ALA 387 Ca -0.06 -1.02 0.01 0.00 0.00 0.00 0.00 51.96 50.88 1xti s ALA 387 Cb -0.15 -1.13 0.02 0.00 0.00 0.00 0.00 23.12 21.86 1xti s ALA 387 CO 0.02 0.05 -0.11 0.42 0.00 0.00 0.00 175.76 176.15 1xti s ILE 388 N 0.69 1.20 -0.08 0.00 1.01 -0.37 -0.82 121.20 122.82 1xti s ILE 388 Ca -0.08 -0.43 0.01 0.00 0.00 0.00 0.00 60.65 60.15 1xti s ILE 388 Cb -0.16 -1.15 -0.03 0.00 0.01 0.00 0.00 42.46 41.14 1xti s ILE 388 CO 0.02 0.39 -0.10 -0.89 0.00 0.00 0.00 174.94 174.35 1xti s THR 389 N 1.33 3.39 -0.14 2.92 2.01 -0.24 -0.88 115.64 124.03 1xti s THR 389 Ca -0.01 -0.58 -0.16 0.00 0.31 0.00 0.00 61.69 61.24 1xti s THR 389 Cb -0.14 -2.39 -0.04 0.00 0.01 0.00 0.00 72.50 69.94 1xti s THR 389 CO -0.05 0.57 0.40 -0.36 -0.69 0.00 0.00 174.62 174.49 1xti s PHE 390 N -0.42 3.49 -0.31 4.92 2.99 -0.69 -0.01 117.98 127.95 1xti s PHE 390 Ca 0.05 0.76 -0.01 0.00 0.00 0.00 0.00 56.93 57.74 1xti s PHE 390 Cb -0.12 -2.47 0.06 0.00 0.00 0.00 0.00 43.02 40.49 1xti s PHE 390 CO 0.02 0.18 0.01 0.08 -0.00 0.00 0.00 175.22 175.52 1xti s VAL 391 N 0.60 2.87 -0.11 -0.44 1.01 0.11 -4.28 120.40 120.17 1xti s VAL 391 Ca 0.22 -1.55 0.20 0.00 0.00 0.00 0.00 61.98 60.86 1xti s VAL 391 Cb -0.14 -2.72 -0.26 0.00 0.00 0.00 0.00 36.38 33.26 1xti s VAL 391 CO 0.08 -0.19 0.46 -0.24 0.00 0.00 0.00 175.10 175.21 1xti n SER 392 N 4.57 0.18 -3.04 3.32 2.88 -1.24 -0.77 113.62 119.53 1xti n SER 392 Ca -0.11 0.08 -0.16 0.00 -1.33 0.00 0.00 58.87 57.35 1xti n SER 392 Cb 0.43 1.36 -0.04 0.00 -0.75 0.00 0.00 64.21 65.21 1xti n SER 392 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1xti n ASP 393 N -2.51 -1.26 0.24 -3.46 5.68 -1.26 -4.73 116.55 109.25 1xti n ASP 393 Ca -0.12 -2.95 0.09 0.00 -0.50 0.00 0.00 54.79 51.31 1xti n ASP 393 Cb 0.76 2.41 0.58 0.00 -1.14 0.00 0.00 41.12 43.74 1xti n ASP 393 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1xti h GLU 394 N 0.00 0.00 -0.29 0.11 5.08 -1.99 -2.79 114.58 114.70 1xti h GLU 394 Ca -0.27 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 57.95 1xti h GLU 394 Cb 1.19 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.44 1xti h GLU 394 CO 0.37 0.20 -0.37 -0.91 -1.00 0.00 0.00 179.01 177.29 1xti h ASN 395 N 0.00 0.83 -0.36 1.42 2.35 -1.99 -0.98 115.58 116.85 1xti h ASN 395 Ca -0.00 -0.50 -0.10 0.00 -0.55 0.00 0.00 56.30 55.15 1xti h ASN 395 Cb 0.45 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.57 1xti h ASN 395 CO 0.03 1.16 -0.12 0.44 -1.65 0.00 0.00 177.43 177.28 1xti h ASP 396 N 0.52 0.80 -0.38 5.81 3.32 -1.93 -2.23 116.42 122.33 1xti h ASP 396 Ca 0.03 -0.25 -0.02 0.00 0.02 0.00 0.00 57.03 56.82 1xti h ASP 396 Cb 0.96 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.28 1xti h ASP 396 CO 0.09 0.94 0.16 0.00 -1.72 0.00 0.00 179.24 178.71 1xti h ALA 397 N 1.13 0.49 -0.55 3.45 0.00 -1.38 0.17 119.26 122.58 1xti h ALA 397 Ca 0.12 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1xti h ALA 397 Cb 0.62 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1xti h ALA 397 CO 0.04 0.08 0.31 0.87 0.00 0.00 0.00 179.25 180.55 1xti h LYS 398 N 0.46 0.74 -0.19 0.00 1.57 -0.99 0.15 116.57 118.31 1xti h LYS 398 Ca 0.13 -0.07 -0.19 0.00 -1.87 0.00 0.00 60.65 58.65 1xti h LYS 398 Cb 0.16 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.32 1xti h LYS 398 CO -0.01 0.53 -0.63 0.82 -0.57 0.00 0.00 179.45 179.59 1xti h ILE 399 N 0.75 1.31 -0.56 1.86 2.04 -0.90 -0.66 117.51 121.35 1xti h ILE 399 Ca 0.20 -1.87 -0.09 0.00 1.00 0.00 0.00 64.86 64.10 1xti h ILE 399 Cb -0.01 1.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 1xti h ILE 399 CO -0.03 0.59 0.01 0.25 0.00 0.00 0.00 178.15 178.97 1xti h LEU 400 N 0.50 0.95 -0.95 1.44 5.85 0.29 -0.32 115.31 123.07 1xti h LEU 400 Ca -0.01 -0.30 -0.09 0.00 0.84 0.00 0.00 57.88 58.32 1xti h LEU 400 Cb 1.22 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 1xti h LEU 400 CO 0.13 1.02 -0.21 0.78 -0.34 0.00 0.00 178.44 179.81 1xti h ASN 401 N 0.86 0.52 -0.59 1.25 2.35 -0.68 -1.19 115.58 118.09 1xti h ASN 401 Ca 0.16 -0.17 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 1xti h ASN 401 Cb 0.52 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.72 1xti h ASN 401 CO 0.03 0.74 0.32 -0.78 -1.65 0.00 0.00 177.43 176.08 1xti h ASP 402 N 0.46 0.76 0.04 5.81 1.82 -0.42 -2.35 116.42 122.54 1xti h ASP 402 Ca 0.07 -0.06 -0.21 0.00 -0.39 0.00 0.00 57.03 56.44 1xti h ASP 402 Cb 0.63 -0.19 0.00 0.00 0.68 0.00 0.00 39.33 40.45 1xti h ASP 402 CO 0.04 0.63 -0.76 0.58 -1.61 0.00 0.00 179.24 178.12 1xti h VAL 403 N 0.86 1.32 -0.25 2.25 2.07 -0.25 -2.57 116.25 119.69 1xti h VAL 403 Ca 0.22 -2.06 -0.02 0.00 0.82 0.00 0.00 66.70 65.66 1xti h VAL 403 Cb 0.05 2.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.86 1xti h VAL 403 CO -0.03 0.64 0.06 1.56 0.02 0.00 0.00 177.57 179.81 1xti h GLN 404 N 0.42 0.35 0.01 1.57 4.20 -0.76 -3.07 115.11 117.82 1xti h GLN 404 Ca -0.04 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 1xti h GLN 404 Cb 1.37 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 29.08 1xti h GLN 404 CO 0.15 0.34 -0.06 -0.44 -0.67 0.00 0.00 178.83 178.14 1xti h ASP 405 N 0.35 0.03 -0.55 1.46 3.32 -1.41 -1.21 116.42 118.41 1xti h ASP 405 Ca 0.09 -0.99 0.11 0.00 0.02 0.00 0.00 57.03 56.25 1xti h ASP 405 Cb 0.15 -0.01 -0.11 0.00 0.22 0.00 0.00 39.33 39.58 1xti h ASP 405 CO -0.00 1.03 -0.25 0.03 -1.72 0.00 0.00 179.24 178.32 1xti h ARG 406 N -0.97 -0.11 -0.15 3.56 2.47 -1.42 -2.17 114.38 115.60 1xti h ARG 406 Ca -0.01 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1xti h ARG 406 Cb 1.04 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 29.38 1xti h ARG 406 CO 0.01 -0.08 0.00 1.19 0.56 0.00 0.00 179.97 181.65 1xti n PHE 407 N -5.43 0.17 -3.47 3.04 3.01 -1.17 -4.98 117.46 108.63 1xti n PHE 407 Ca 0.05 -0.08 -0.18 0.00 1.01 0.00 0.00 57.45 58.24 1xti n PHE 407 Cb 0.34 0.00 0.07 0.00 -0.01 0.00 0.00 39.48 39.88 1xti n PHE 407 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1xti n GLU 408 N 1.15 -5.43 -4.17 -1.08 1.02 -0.82 -5.02 120.64 106.29 1xti n GLU 408 Ca 0.16 0.79 -0.16 0.00 -0.02 0.00 0.00 57.16 57.94 1xti n GLU 408 Cb 0.55 -5.65 -0.13 0.00 -0.02 0.00 0.00 31.44 26.18 1xti n GLU 408 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1xti s VAL 409 N -3.44 0.56 -0.10 2.62 -7.23 -0.50 -5.03 120.40 107.28 1xti s VAL 409 Ca 0.08 -0.61 -0.11 0.00 -1.81 0.00 0.00 61.98 59.53 1xti s VAL 409 Cb -0.01 -0.53 -0.05 0.00 0.56 0.00 0.00 36.38 36.35 1xti s VAL 409 CO 0.75 -0.05 0.25 0.54 -0.31 0.00 0.00 175.10 176.29 1xti s ASN 410 N -0.72 6.51 -0.46 4.85 4.22 -1.26 -4.31 114.94 123.76 1xti s ASN 410 Ca -0.02 0.60 0.01 0.00 -2.14 0.00 0.00 52.86 51.31 1xti s ASN 410 Cb -0.05 -2.15 0.12 0.00 1.28 0.00 0.00 41.25 40.45 1xti s ASN 410 CO 0.00 0.29 0.22 -0.63 -2.04 0.00 0.00 177.10 174.94 1xti s ILE 411 N -0.55 2.92 0.92 0.54 1.01 -1.26 -4.85 121.20 119.93 1xti s ILE 411 Ca 0.17 -2.61 -0.12 0.00 0.00 0.00 0.00 60.65 58.09 1xti s ILE 411 Cb -0.14 -3.02 0.14 0.00 0.01 0.00 0.00 42.46 39.45 1xti s ILE 411 CO 0.06 -0.73 1.09 -0.44 0.00 0.00 0.00 174.94 174.93 1xti s SER 412 N 0.85 3.28 0.26 3.58 0.01 -1.23 -4.62 113.70 115.84 1xti s SER 412 Ca 0.13 1.42 -0.30 0.00 1.31 0.00 0.00 55.95 58.51 1xti s SER 412 Cb -0.22 -2.09 -0.09 0.00 0.21 0.00 0.00 66.02 63.83 1xti s SER 412 CO -0.04 -2.75 1.06 -0.70 0.41 0.00 0.00 173.24 171.22 1xti s GLU 413 N -4.94 4.69 -0.02 12.44 2.12 -1.26 -1.34 118.70 130.39 1xti s GLU 413 Ca 0.64 1.71 -0.34 0.00 0.36 0.00 0.00 54.97 57.34 1xti s GLU 413 Cb -0.18 -3.22 -0.13 0.00 0.26 0.00 0.00 34.13 30.86 1xti s GLU 413 CO 0.57 0.28 1.78 -0.11 -0.54 0.00 0.00 175.26 177.24 1xti n LEU 414 N 1.40 3.28 -4.91 2.70 7.94 -0.52 -4.78 117.00 122.11 1xti n LEU 414 Ca -0.01 1.01 -0.28 0.00 -1.11 0.00 0.00 56.01 55.62 1xti n LEU 414 Cb 0.45 -1.37 0.06 0.00 0.53 0.00 0.00 43.42 43.09 1xti n LEU 414 CO 0.53 -0.15 0.68 -2.16 -1.11 0.00 0.00 177.39 175.18 1xti s PRO 415 N 3.12 2.50 0.48 1.96 0.04 -1.26 -4.98 135.00 136.86 1xti s PRO 415 Ca 0.89 0.10 0.28 0.00 0.04 0.00 0.00 61.00 62.30 1xti s PRO 415 Cb -0.71 -2.10 1.07 0.00 0.04 0.00 0.00 34.50 32.80 1xti s PRO 415 CO 0.48 -1.14 1.88 -0.44 0.04 0.00 0.00 177.00 177.82 1xti h ASP 416 N -0.63 0.00 -3.37 6.66 5.19 -2.06 -3.42 116.42 118.80 1xti h ASP 416 Ca -0.45 0.00 -0.49 0.00 -0.62 0.00 0.00 57.03 55.47 1xti h ASP 416 Cb 1.29 0.00 -0.34 0.00 0.18 0.00 0.00 39.33 40.45 1xti h ASP 416 CO 0.63 0.13 -0.80 -0.70 -3.12 0.00 0.00 179.24 175.37 1xti s GLU 417 N -3.64 1.43 -0.11 3.56 2.12 -1.26 -5.11 118.70 115.69 1xti s GLU 417 Ca 0.01 -0.29 0.00 0.00 0.36 0.00 0.00 54.97 55.05 1xti s GLU 417 Cb 0.09 -1.31 0.02 0.00 0.26 0.00 0.00 34.13 33.20 1xti s GLU 417 CO 0.60 -0.08 -0.10 0.42 -0.54 0.00 0.00 175.26 175.57 1xti s ILE 418 N 1.00 1.16 -0.14 -3.70 1.01 -1.26 -5.11 121.20 114.16 1xti s ILE 418 Ca -0.09 -0.40 -0.29 0.00 0.00 0.00 0.00 60.65 59.87 1xti s ILE 418 Cb -0.15 -1.13 -0.02 0.00 0.01 0.00 0.00 42.46 41.17 1xti s ILE 418 CO -0.00 0.38 1.34 -0.62 0.00 0.00 0.00 174.94 176.04 1xti s ASP 419 N 1.43 6.89 0.26 3.58 3.68 -1.26 -4.92 116.67 126.33 1xti s ASP 419 Ca 0.01 1.80 -0.02 0.00 2.13 0.00 0.00 52.55 56.46 1xti s ASP 419 Cb -0.13 -2.54 0.44 0.00 -1.45 0.00 0.00 42.92 39.24 1xti s ASP 419 CO -0.06 -0.79 1.85 -0.29 0.13 0.00 0.00 175.17 176.01 1xti h ILE 420 N 5.50 1.00 0.00 4.11 2.10 -1.98 -1.05 117.51 127.19 1xti h ILE 420 Ca -0.29 -0.36 0.00 0.00 1.08 0.00 0.00 64.86 65.30 1xti h ILE 420 Cb 1.12 -0.12 0.00 0.00 -1.09 0.00 0.00 36.82 36.73 1xti h ILE 420 CO 0.97 0.19 0.00 0.77 -1.08 0.00 0.00 178.15 179.00 1xti h SER 421 N 1.03 0.00 1.30 2.19 4.64 -1.92 -1.05 113.55 119.74 1xti h SER 421 Ca 0.44 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.64 1xti h SER 421 Cb 0.29 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.36 1xti h SER 421 CO -0.21 0.00 -0.58 0.77 -0.87 0.00 0.00 176.83 175.94 1xti h SER 422 N 0.00 0.00 0.00 4.97 4.64 -1.58 -3.36 113.55 118.21 1xti h SER 422 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xti h SER 422 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1xti h SER 422 CO 0.00 0.58 0.00 0.00 -0.87 0.00 0.00 176.83 176.54 1xti n TYR 423 N -3.30 0.00 -4.46 4.77 0.18 -0.75 -4.59 117.16 109.01 1xti n TYR 423 Ca 0.01 -0.01 -0.23 0.00 1.88 0.00 0.00 57.90 59.55 1xti n TYR 423 Cb 0.74 -0.00 -0.16 0.00 -0.38 0.00 0.00 39.34 39.53 1xti n TYR 423 CO 0.00 0.00 0.00 0.42 -2.08 0.00 0.00 176.86 175.20 1xti s ILE 424 N -0.02 0.94 -0.10 -3.48 1.01 -0.47 -3.27 121.20 115.81 1xti s ILE 424 Ca 0.00 -0.37 -0.20 0.00 0.00 0.00 0.00 60.65 60.08 1xti s ILE 424 Cb 0.00 -0.88 -0.04 0.00 0.01 0.00 0.00 42.46 41.55 1xti s ILE 424 CO 0.00 0.31 0.54 -1.61 0.00 0.00 0.00 174.94 174.18 1xti s GLU 425 N 0.70 4.36 0.00 2.79 2.02 -1.26 -4.46 118.70 122.85 1xti s GLU 425 Ca -0.13 0.58 0.00 0.00 0.02 0.00 0.00 54.97 55.44 1xti s GLU 425 Cb -0.15 -3.43 0.00 0.00 0.10 0.00 0.00 34.13 30.65 1xti s GLU 425 CO 0.03 0.15 0.00 1.04 0.02 0.00 0.00 175.26 176.49