#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jul s GLU 77 N 0.00 2.44 -0.05 -0.52 2.02 -1.26 -4.80 118.70 116.54 2jul s GLU 77 Ca 0.00 0.24 -0.19 0.00 0.02 0.00 0.00 54.97 55.04 2jul s GLU 77 Cb 0.00 -4.76 -0.13 0.00 0.10 0.00 0.00 34.13 29.33 2jul s GLU 77 CO 0.00 -3.26 0.79 0.78 0.02 0.00 0.00 175.26 173.59 2jul h GLY 78 N 18.00 -0.32 0.01 -1.39 0.00 -2.06 -2.77 103.07 114.54 2jul h GLY 78 Ca -0.06 0.12 0.20 0.00 0.00 0.00 0.00 47.33 47.58 2jul h GLY 78 CO 1.19 -0.12 0.51 -2.00 0.00 0.00 0.00 176.54 176.13 2jul h LEU 79 N -0.94 0.59 0.13 3.11 5.85 -2.00 -0.39 115.31 121.67 2jul h LEU 79 Ca -0.03 0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 2jul h LEU 79 Cb 0.48 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.54 2jul h LEU 79 CO 0.05 0.16 -0.06 -0.78 -0.34 0.00 0.00 178.44 177.47 2jul h ASP 80 N 0.60 -0.15 -0.80 1.25 1.82 -1.95 -1.42 116.42 115.78 2jul h ASP 80 Ca 0.56 -0.01 0.10 0.00 -0.39 0.00 0.00 57.03 57.28 2jul h ASP 80 Cb 0.95 0.04 -0.07 0.00 0.68 0.00 0.00 39.33 40.93 2jul h ASP 80 CO -0.43 -0.09 0.44 1.56 -1.61 0.00 0.00 179.24 179.11 2jul h GLN 81 N -0.20 0.72 0.01 0.28 4.20 -0.82 -1.64 115.11 117.66 2jul h GLN 81 Ca -0.02 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.66 2jul h GLN 81 Cb 0.15 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 2jul h GLN 81 CO 0.03 0.48 -0.09 1.25 -0.67 0.00 0.00 178.83 179.83 2jul h LEU 82 N 0.74 -0.25 -0.81 1.46 7.12 -0.78 -2.13 115.31 120.66 2jul h LEU 82 Ca 0.39 0.04 0.13 0.00 0.13 0.00 0.00 57.88 58.57 2jul h LEU 82 Cb 0.37 0.11 -0.09 0.00 -0.53 0.00 0.00 40.66 40.52 2jul h LEU 82 CO -0.26 -0.13 0.41 -0.61 -0.13 0.00 0.00 178.44 177.72 2jul h GLN 83 N -0.16 0.60 -0.13 1.25 4.15 -0.42 0.22 115.11 120.62 2jul h GLN 83 Ca 0.03 -0.04 0.05 0.00 0.77 0.00 0.00 58.65 59.46 2jul h GLN 83 Cb 0.20 -0.14 -0.06 0.00 0.21 0.00 0.00 27.48 27.69 2jul h GLN 83 CO -0.08 0.40 -0.28 0.00 -1.93 0.00 0.00 178.83 176.93 2jul h ALA 84 N 1.52 -0.30 -0.02 3.38 0.00 -0.66 -2.68 119.26 120.50 2jul h ALA 84 Ca 0.43 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.37 2jul h ALA 84 Cb 0.57 0.54 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 2jul h ALA 84 CO -0.34 -0.75 -0.00 1.96 0.00 0.00 0.00 179.25 180.12 2jul h GLN 85 N -0.35 0.04 -4.17 0.00 4.20 -1.04 -3.37 115.11 110.41 2jul h GLN 85 Ca 0.10 -0.02 -0.76 0.00 0.06 0.00 0.00 58.65 58.04 2jul h GLN 85 Cb 0.51 -0.00 -0.24 0.00 0.30 0.00 0.00 27.48 28.05 2jul h GLN 85 CO -0.33 0.38 0.12 0.95 -0.67 0.00 0.00 178.83 179.28 2jul s THR 86 N -4.80 5.29 -0.88 -0.54 -4.23 0.70 -4.98 115.64 106.20 2jul s THR 86 Ca -0.15 -1.90 -0.23 0.00 -1.18 0.00 0.00 61.69 58.23 2jul s THR 86 Cb 0.03 -4.48 -0.22 0.00 1.34 0.00 0.00 72.50 69.18 2jul s THR 86 CO 0.68 -1.07 2.45 0.29 -0.54 0.00 0.00 174.62 176.43 2jul n LYS 87 N 4.96 0.27 -4.05 3.99 4.76 -1.15 -4.42 118.16 122.51 2jul n LYS 87 Ca 0.05 -0.12 -0.14 0.00 -2.87 0.00 0.00 58.31 55.22 2jul n LYS 87 Cb 0.45 -2.03 -0.03 0.00 -1.84 0.00 0.00 35.03 31.58 2jul n LYS 87 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 2jul s PHE 88 N 7.83 0.97 -0.26 2.13 5.36 -1.25 -5.10 117.98 127.66 2jul s PHE 88 Ca 1.22 -1.26 -0.11 0.00 -0.96 0.00 0.00 56.93 55.81 2jul s PHE 88 Cb -0.78 0.04 -0.05 0.00 -0.34 0.00 0.00 43.02 41.90 2jul s PHE 88 CO 0.41 -1.22 0.20 -0.08 -1.46 0.00 0.00 175.22 173.07 2jul s THR 89 N -2.86 5.32 0.60 0.12 -1.32 -1.26 -4.93 115.64 111.31 2jul s THR 89 Ca 0.29 0.22 0.30 0.00 -1.21 0.00 0.00 61.69 61.28 2jul s THR 89 Cb -0.01 -3.53 0.43 0.00 -1.51 0.00 0.00 72.50 67.88 2jul s THR 89 CO 0.20 0.28 1.45 0.11 -2.21 0.00 0.00 174.62 174.45 2jul h LYS 90 N 7.98 0.00 0.10 7.08 1.57 -1.97 0.17 116.57 131.50 2jul h LYS 90 Ca -0.36 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.41 2jul h LYS 90 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.49 2jul h LYS 90 CO 0.60 0.00 -0.05 -0.22 -0.57 0.00 0.00 179.45 179.21 2jul h LYS 91 N 0.00 -0.13 -0.05 3.15 3.64 -2.00 -1.51 116.57 119.67 2jul h LYS 91 Ca 0.50 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.90 2jul h LYS 91 Cb 2.70 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 34.55 2jul h LYS 91 CO -0.01 -0.09 0.06 1.49 -2.27 0.00 0.00 179.45 178.63 2jul h GLU 92 N -0.21 0.00 -0.55 1.90 4.81 -1.58 -0.47 114.58 118.48 2jul h GLU 92 Ca -0.01 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.10 2jul h GLU 92 Cb 0.11 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 2jul h GLU 92 CO 0.02 0.00 -0.10 -0.07 -0.73 0.00 0.00 179.01 178.13 2jul h LEU 93 N 0.00 1.04 -0.66 1.64 3.38 -0.70 -0.46 115.31 119.54 2jul h LEU 93 Ca 0.02 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.62 2jul h LEU 93 Cb 0.13 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 2jul h LEU 93 CO -0.00 1.14 0.33 -0.61 0.09 0.00 0.00 178.44 179.39 2jul h GLN 94 N 0.91 0.94 -0.23 1.13 4.15 0.01 0.47 115.11 122.50 2jul h GLN 94 Ca 0.14 -0.13 -0.10 0.00 0.77 0.00 0.00 58.65 59.34 2jul h GLN 94 Cb 0.67 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 28.17 2jul h GLN 94 CO 0.05 0.74 -0.27 0.66 -1.93 0.00 0.00 178.83 178.08 2jul h SER 95 N 0.91 0.45 -0.06 -0.69 4.64 -1.27 -0.86 113.55 116.67 2jul h SER 95 Ca 0.23 -0.15 -0.09 0.00 -0.47 0.00 0.00 61.79 61.30 2jul h SER 95 Cb 0.09 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 2jul h SER 95 CO -0.03 0.71 -0.33 -0.07 -0.87 0.00 0.00 176.83 176.24 2jul h LEU 96 N 0.39 0.40 -1.91 5.97 3.38 -0.40 -2.75 115.31 120.39 2jul h LEU 96 Ca 0.06 -0.66 -0.01 0.00 0.09 0.00 0.00 57.88 57.35 2jul h LEU 96 Cb 0.68 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 2jul h LEU 96 CO 0.05 1.00 -0.07 0.22 0.09 0.00 0.00 178.44 179.73 2jul h TYR 97 N -0.18 0.00 -0.29 1.13 3.20 0.03 -1.76 116.97 119.10 2jul h TYR 97 Ca -0.02 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.81 2jul h TYR 97 Cb 0.99 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.25 2jul h TYR 97 CO 0.13 0.07 0.05 -0.09 -1.64 0.00 0.00 178.16 176.68 2jul h ARG 98 N 0.00 0.48 -0.40 1.82 2.43 -1.03 -1.25 114.38 116.42 2jul h ARG 98 Ca -0.00 -0.13 0.02 0.00 -0.81 0.00 0.00 59.98 59.06 2jul h ARG 98 Cb 0.13 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 2jul h ARG 98 CO 0.01 0.59 0.27 0.78 -1.51 0.00 0.00 179.97 180.11 2jul h GLY 99 N 0.30 0.53 1.13 2.80 0.00 -1.03 -1.39 103.07 105.42 2jul h GLY 99 Ca 0.09 -0.19 -0.18 0.00 0.00 0.00 0.00 47.33 47.05 2jul h GLY 99 CO 0.01 0.18 -0.49 -2.75 0.00 0.00 0.00 176.54 173.49 2jul h PHE 100 N 0.49 1.11 -0.08 5.60 3.57 -1.09 -2.86 116.94 123.69 2jul h PHE 100 Ca 0.16 -0.37 -0.00 0.00 3.53 0.00 0.00 57.97 61.28 2jul h PHE 100 Cb 0.03 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 38.55 2jul h PHE 100 CO -0.00 1.20 0.03 -0.22 -2.23 0.00 0.00 178.31 177.09 2jul h LYS 101 N 0.69 0.10 0.00 1.11 1.63 -0.17 0.37 116.57 120.31 2jul h LYS 101 Ca 0.03 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 2jul h LYS 101 Cb 1.09 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.70 2jul h LYS 101 CO 0.11 0.09 0.00 -1.71 -3.45 0.00 0.00 179.45 174.49 2jul n ASN 102 N -4.50 0.43 -3.71 4.20 5.15 -0.81 -4.45 115.26 111.57 2jul n ASN 102 Ca -0.02 0.62 -0.25 0.00 -0.60 0.00 0.00 54.58 54.33 2jul n ASN 102 Cb 0.10 -0.71 -0.17 0.00 -0.53 0.00 0.00 39.78 38.47 2jul n ASN 102 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 2jul s GLU 103 N -3.24 0.45 0.52 1.20 2.56 0.12 -5.08 118.70 115.23 2jul s GLU 103 Ca 0.04 -0.12 0.00 0.00 0.00 0.00 0.00 54.97 54.89 2jul s GLU 103 Cb 0.08 -1.56 0.00 0.00 2.00 0.00 0.00 34.13 34.65 2jul s GLU 103 CO 0.30 -0.51 0.00 0.00 -0.56 0.00 0.00 175.26 174.49 2jul n PRO 105 N -3.04 1.60 -3.11 0.00 -0.04 -1.26 -4.57 135.00 124.58 2jul n PRO 105 Ca -0.03 0.00 -0.44 0.00 -0.04 0.00 0.00 63.50 62.99 2jul n PRO 105 Cb 0.48 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.95 2jul n PRO 105 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2jul n THR 106 N -0.41 4.96 0.00 0.52 -2.24 -1.26 -4.74 114.28 111.12 2jul n THR 106 Ca 0.00 -5.62 0.00 0.00 -2.27 0.00 0.00 64.05 56.16 2jul n THR 106 Cb 0.00 -2.31 0.00 0.00 -2.10 0.00 0.00 70.33 65.92 2jul n THR 106 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jul n GLY 107 N 2.01 0.52 3.26 3.38 0.00 -1.26 -5.13 105.19 107.97 2jul n GLY 107 Ca 0.26 -0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.18 2jul n GLY 107 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2jul s LEU 108 N 0.00 0.93 0.20 0.99 0.05 -1.26 -4.53 118.68 115.06 2jul s LEU 108 Ca 0.00 -0.50 0.09 0.00 0.05 0.00 0.00 54.13 53.77 2jul s LEU 108 Cb 0.00 1.42 -0.04 0.00 -2.05 0.00 0.00 46.19 45.52 2jul s LEU 108 CO 0.00 -0.79 -0.04 0.54 -0.55 0.00 0.00 176.35 175.51 2jul s VAL 109 N -3.84 3.42 0.27 1.48 0.11 0.79 -4.95 120.40 117.69 2jul s VAL 109 Ca 0.04 -1.66 0.11 0.00 -2.93 0.00 0.00 61.98 57.53 2jul s VAL 109 Cb 0.03 -2.74 -0.05 0.00 -1.53 0.00 0.00 36.38 32.10 2jul s VAL 109 CO -0.11 -0.19 -0.09 -1.81 -3.33 0.00 0.00 175.10 169.57 2jul s ASP 110 N -3.11 4.12 0.47 3.54 1.01 -1.26 -1.91 116.67 119.53 2jul s ASP 110 Ca 0.28 -0.82 0.23 0.00 0.71 0.00 0.00 52.55 52.94 2jul s ASP 110 Cb -0.08 -0.60 1.25 0.00 1.01 0.00 0.00 42.92 44.50 2jul s ASP 110 CO 0.18 0.01 1.89 -0.08 0.21 0.00 0.00 175.17 177.37 2jul h GLU 111 N 2.05 0.22 0.92 8.23 4.81 -1.99 -1.89 114.58 126.93 2jul h GLU 111 Ca -0.42 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 58.75 2jul h GLU 111 Cb 1.25 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.59 2jul h GLU 111 CO 0.60 0.15 -0.49 -0.44 -0.73 0.00 0.00 179.01 178.10 2jul h ASP 112 N 0.23 -1.21 -1.00 1.04 3.32 -1.97 -2.17 116.42 114.67 2jul h ASP 112 Ca 0.42 0.05 0.24 0.00 0.02 0.00 0.00 57.03 57.77 2jul h ASP 112 Cb 1.31 0.33 -0.08 0.00 0.22 0.00 0.00 39.33 41.10 2jul h ASP 112 CO -0.10 -0.80 0.65 0.71 -1.72 0.00 0.00 179.24 177.98 2jul h THR 113 N -1.30 0.59 -0.44 0.35 1.35 -1.76 0.17 112.91 111.86 2jul h THR 113 Ca -0.13 -0.14 0.06 0.00 -0.55 0.00 0.00 66.41 65.65 2jul h THR 113 Cb 1.02 0.13 -0.05 0.00 -1.73 0.00 0.00 68.15 67.51 2jul h THR 113 CO 0.17 0.08 0.14 -0.26 -0.25 0.00 0.00 175.52 175.40 2jul h PHE 114 N 0.42 0.24 -0.29 4.73 -1.00 -0.98 0.88 116.94 120.94 2jul h PHE 114 Ca 0.55 0.02 0.00 0.00 2.81 0.00 0.00 57.97 61.36 2jul h PHE 114 Cb 1.37 -0.04 -0.01 0.00 3.61 0.00 0.00 35.95 40.87 2jul h PHE 114 CO -0.00 0.08 0.19 -0.22 -1.61 0.00 0.00 178.31 176.74 2jul h LYS 115 N 0.30 0.37 -0.20 1.51 3.11 -0.28 -0.76 116.57 120.62 2jul h LYS 115 Ca 0.21 -0.02 -0.11 0.00 -2.81 0.00 0.00 60.65 57.92 2jul h LYS 115 Cb 0.22 -0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 31.36 2jul h LYS 115 CO -0.23 0.25 -0.34 1.25 -2.81 0.00 0.00 179.45 177.57 2jul h LEU 116 N 0.39 0.43 -0.09 5.20 6.46 -0.51 -0.89 115.31 126.30 2jul h LEU 116 Ca 0.11 -0.17 -0.01 0.00 -0.12 0.00 0.00 57.88 57.69 2jul h LEU 116 Cb -0.03 -0.12 -0.00 0.00 -0.73 0.00 0.00 40.66 39.77 2jul h LEU 116 CO -0.02 0.75 0.00 0.40 -0.62 0.00 0.00 178.44 178.95 2jul h ILE 117 N 0.36 1.24 -0.48 4.05 5.03 0.20 0.54 117.51 128.45 2jul h ILE 117 Ca 0.04 -0.75 -0.10 0.00 -0.12 0.00 0.00 64.86 63.93 2jul h ILE 117 Cb 0.77 1.57 -0.02 0.00 -3.03 0.00 0.00 36.82 36.11 2jul h ILE 117 CO 0.06 0.21 -0.11 1.88 -0.68 0.00 0.00 178.15 179.51 2jul h TYR 118 N -0.11 0.98 0.00 1.37 -1.99 -1.38 -1.70 116.97 114.14 2jul h TYR 118 Ca 0.03 -0.19 0.00 0.00 2.00 0.00 0.00 58.73 60.56 2jul h TYR 118 Cb 0.33 -0.25 0.00 0.00 2.00 0.00 0.00 36.73 38.81 2jul h TYR 118 CO 0.03 0.94 0.00 -1.13 -0.00 0.00 0.00 178.16 178.00 2jul n SER 119 N -4.15 0.18 0.02 3.88 3.41 -0.35 -2.88 113.62 113.73 2jul n SER 119 Ca 0.01 0.53 -0.17 0.00 -0.26 0.00 0.00 58.87 58.99 2jul n SER 119 Cb 0.38 -0.57 -0.14 0.00 -0.26 0.00 0.00 64.21 63.62 2jul n SER 119 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 2jul h GLN 120 N 0.00 0.20 0.00 4.33 4.15 -0.02 -3.31 115.11 120.45 2jul h GLN 120 Ca 0.00 -0.34 -0.03 0.00 0.77 0.00 0.00 58.65 59.04 2jul h GLN 120 Cb 0.41 0.13 -0.00 0.00 0.21 0.00 0.00 27.48 28.23 2jul h GLN 120 CO 0.00 1.01 -0.16 0.74 -1.93 0.00 0.00 178.83 178.49 2jul h PHE 121 N 0.05 0.00 -4.15 3.99 0.04 -1.23 -3.43 116.94 112.21 2jul h PHE 121 Ca -0.32 0.00 -0.48 0.00 2.80 0.00 0.00 57.97 59.96 2jul h PHE 121 Cb 2.03 0.00 -0.27 0.00 2.20 0.00 0.00 35.95 39.90 2jul h PHE 121 CO 0.05 0.16 -0.81 -0.06 -0.60 0.00 0.00 178.31 177.05 2jul s PHE 122 N -3.74 1.33 -0.53 -0.55 0.08 -1.17 -5.07 117.98 108.33 2jul s PHE 122 Ca 0.00 -0.30 -0.27 0.00 0.12 0.00 0.00 56.93 56.49 2jul s PHE 122 Cb 0.10 -0.82 -0.09 0.00 -0.57 0.00 0.00 43.02 41.64 2jul s PHE 122 CO 0.61 0.01 2.44 -2.30 -0.10 0.00 0.00 175.22 175.87 2jul n PRO 123 N 2.34 0.97 0.00 0.24 -0.01 -1.26 -4.66 135.00 132.62 2jul n PRO 123 Ca -0.16 0.02 0.00 0.00 -0.01 0.00 0.00 63.50 63.35 2jul n PRO 123 Cb 0.55 -3.22 0.00 0.00 -0.01 0.00 0.00 33.50 30.81 2jul n PRO 123 CO 0.00 0.00 0.00 0.94 -0.01 0.00 0.00 175.50 176.43 2jul n GLN 124 N 8.93 0.00 0.00 -0.52 7.27 -1.25 -4.96 117.38 126.85 2jul n GLN 124 Ca 0.40 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.47 2jul n GLN 124 Cb 0.48 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.13 2jul n GLN 124 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2jul n GLY 125 N 0.00 -0.91 2.39 1.69 0.00 -1.26 -4.74 105.19 102.36 2jul n GLY 125 Ca 0.00 -2.13 -0.17 0.00 0.00 0.00 0.00 46.02 43.72 2jul n GLY 125 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jul n ASP 126 N 0.00 3.65 0.00 1.61 -0.08 -1.26 -4.79 116.55 115.68 2jul n ASP 126 Ca 0.00 -3.20 0.12 0.00 -1.51 0.00 0.00 54.79 50.20 2jul n ASP 126 Cb 0.00 -0.42 0.74 0.00 2.34 0.00 0.00 41.12 43.77 2jul n ASP 126 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2jul n ALA 127 N -0.55 2.60 -0.16 -1.67 0.00 -1.26 -3.92 120.51 115.54 2jul n ALA 127 Ca 0.30 -0.15 -0.03 0.00 0.00 0.00 0.00 53.44 53.55 2jul n ALA 127 Cb 0.84 -1.40 0.03 0.00 0.00 0.00 0.00 19.45 18.92 2jul n ALA 127 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2jul h THR 128 N 0.00 0.48 0.18 0.00 2.02 -1.94 1.06 112.91 114.71 2jul h THR 128 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2jul h THR 128 Cb 0.00 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 66.88 2jul h THR 128 CO 0.00 0.00 -0.16 0.74 0.37 0.00 0.00 175.52 176.47 2jul h THR 129 N -0.01 0.65 0.00 3.16 2.02 -1.98 -0.60 112.91 116.13 2jul h THR 129 Ca 0.24 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.41 2jul h THR 129 Cb 0.38 0.65 -0.00 0.00 -1.74 0.00 0.00 68.15 67.43 2jul h THR 129 CO -0.52 0.00 -0.06 0.22 0.37 0.00 0.00 175.52 175.53 2jul h TYR 130 N -0.36 0.00 -0.11 3.16 5.03 -1.56 -2.31 116.97 120.82 2jul h TYR 130 Ca -0.00 0.00 -0.23 0.00 2.58 0.00 0.00 58.73 61.08 2jul h TYR 130 Cb 0.33 0.00 0.01 0.00 1.55 0.00 0.00 36.73 38.62 2jul h TYR 130 CO -0.13 0.06 -0.82 0.00 -1.32 0.00 0.00 178.16 175.94 2jul h ALA 131 N 1.94 0.32 -0.12 1.82 0.00 0.23 -2.13 119.26 121.33 2jul h ALA 131 Ca -0.00 -0.62 -0.02 0.00 0.00 0.00 0.00 54.91 54.26 2jul h ALA 131 Cb 0.30 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 2jul h ALA 131 CO 0.01 0.70 -0.02 0.45 0.00 0.00 0.00 179.25 180.39 2jul h HIS 132 N 0.47 0.25 -0.78 0.00 3.86 -0.61 -2.50 115.15 115.84 2jul h HIS 132 Ca -0.06 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.10 2jul h HIS 132 Cb 1.45 -0.06 -0.04 0.00 1.06 0.00 0.00 27.41 29.82 2jul h HIS 132 CO 0.08 0.51 0.50 0.74 0.86 0.00 0.00 177.93 180.62 2jul h PHE 133 N -0.08 1.00 -0.27 2.45 0.04 -1.53 -2.22 116.94 116.33 2jul h PHE 133 Ca 0.03 0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.85 2jul h PHE 133 Cb 0.42 -0.34 -0.03 0.00 2.20 0.00 0.00 35.95 38.20 2jul h PHE 133 CO 0.05 0.65 0.06 -0.07 -0.60 0.00 0.00 178.31 178.40 2jul h LEU 134 N 1.07 0.04 -0.60 1.54 3.38 -1.19 -1.81 115.31 117.74 2jul h LEU 134 Ca 0.28 0.04 0.11 0.00 0.09 0.00 0.00 57.88 58.40 2jul h LEU 134 Cb -0.09 0.05 -0.08 0.00 0.09 0.00 0.00 40.66 40.63 2jul h LEU 134 CO -0.06 0.05 0.17 0.15 0.09 0.00 0.00 178.44 178.85 2jul h PHE 135 N 0.17 0.28 -0.98 1.13 3.04 -0.96 0.18 116.94 119.80 2jul h PHE 135 Ca 0.12 0.03 0.22 0.00 3.98 0.00 0.00 57.97 62.32 2jul h PHE 135 Cb 0.12 -0.04 -0.12 0.00 2.56 0.00 0.00 35.95 38.47 2jul h PHE 135 CO -0.15 0.02 0.56 -0.97 -2.02 0.00 0.00 178.31 175.75 2jul h ASN 136 N 0.32 0.66 0.06 0.41 -0.73 -1.07 -0.44 115.58 114.78 2jul h ASN 136 Ca 0.31 0.12 -0.00 0.00 1.87 0.00 0.00 56.30 58.60 2jul h ASN 136 Cb 0.43 0.02 0.00 0.00 0.27 0.00 0.00 38.32 39.04 2jul h ASN 136 CO -0.36 0.16 -0.03 0.00 -0.37 0.00 0.00 177.43 176.83 2jul h ALA 137 N 1.69 -0.07 -3.01 1.57 0.00 -0.36 -3.44 119.26 115.63 2jul h ALA 137 Ca 0.60 -0.13 -0.24 0.00 0.00 0.00 0.00 54.91 55.14 2jul h ALA 137 Cb 1.05 0.03 0.14 0.00 0.00 0.00 0.00 17.79 19.00 2jul h ALA 137 CO -0.44 -0.42 -0.09 1.19 0.00 0.00 0.00 179.25 179.49 2jul n PHE 138 N -5.01 -3.25 -1.46 0.00 3.72 -0.17 -4.84 117.46 106.44 2jul n PHE 138 Ca -0.08 -0.55 0.18 0.00 -0.05 0.00 0.00 57.45 56.95 2jul n PHE 138 Cb 0.16 -0.81 -0.08 0.00 -0.94 0.00 0.00 39.48 37.80 2jul n PHE 138 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2jul n ASP 139 N -4.79 -8.35 0.00 4.37 5.68 -1.26 -4.94 116.55 107.26 2jul n ASP 139 Ca 0.09 1.27 0.00 0.00 -0.50 0.00 0.00 54.79 55.66 2jul n ASP 139 Cb 0.39 -4.89 0.00 0.00 -1.14 0.00 0.00 41.12 35.48 2jul n ASP 139 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2jul n ALA 140 N -3.87 0.00 -1.31 2.12 0.00 -1.26 -4.92 120.51 111.26 2jul n ALA 140 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2jul n ALA 140 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.14 2jul n ALA 140 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2jul n ASP 141 N 0.00 0.00 -4.72 0.00 8.00 -1.26 -5.10 116.55 113.47 2jul n ASP 141 Ca 0.00 -0.35 -0.42 0.00 0.71 0.00 0.00 54.79 54.73 2jul n ASP 141 Cb 0.18 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.25 2jul n ASP 141 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2jul s GLY 142 N 0.00 2.24 0.19 0.44 0.00 -1.26 -4.89 107.32 104.04 2jul s GLY 142 Ca 0.00 0.97 0.24 0.00 0.00 0.00 0.00 44.72 45.93 2jul s GLY 142 CO 0.00 2.16 1.72 0.70 0.00 0.00 0.00 173.10 177.68 2jul n ASN 143 N 3.82 0.57 0.00 1.64 4.13 -1.26 -4.49 115.26 119.68 2jul n ASN 143 Ca 0.10 0.60 0.00 0.00 1.68 0.00 0.00 54.58 56.96 2jul n ASN 143 Cb 0.44 -0.74 0.00 0.00 -1.54 0.00 0.00 39.78 37.95 2jul n ASN 143 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2jul n GLY 144 N 0.56 0.00 3.13 7.41 0.00 -1.26 -5.16 105.19 109.87 2jul n GLY 144 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 2jul n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jul s ALA 145 N 0.00 -0.25 0.04 4.61 0.00 -1.26 -4.50 121.76 120.40 2jul s ALA 145 Ca 0.00 -0.30 0.06 0.00 0.00 0.00 0.00 51.96 51.72 2jul s ALA 145 Cb 0.00 0.19 -0.02 0.00 0.00 0.00 0.00 23.12 23.29 2jul s ALA 145 CO 0.00 -0.28 -0.17 0.96 0.00 0.00 0.00 175.76 176.27 2jul s ILE 146 N -2.03 1.40 0.28 0.00 -4.36 -0.80 -4.49 121.20 111.19 2jul s ILE 146 Ca -0.10 -1.07 0.12 0.00 -0.26 0.00 0.00 60.65 59.34 2jul s ILE 146 Cb -0.04 -1.23 -0.05 0.00 1.25 0.00 0.00 42.46 42.39 2jul s ILE 146 CO -0.02 0.13 -0.19 -1.00 0.24 0.00 0.00 174.94 174.10 2jul s HIS 147 N -0.79 2.31 0.51 1.37 3.76 -1.26 -0.15 115.29 121.04 2jul s HIS 147 Ca 0.05 -0.32 0.33 0.00 -0.15 0.00 0.00 55.06 54.97 2jul s HIS 147 Cb -0.08 -1.00 1.46 0.00 1.11 0.00 0.00 32.58 34.07 2jul s HIS 147 CO 0.01 0.71 1.78 0.35 -0.85 0.00 0.00 174.74 176.75 2jul h PHE 148 N 2.25 0.16 0.68 1.40 3.57 -1.99 -0.71 116.94 122.30 2jul h PHE 148 Ca -0.40 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.07 2jul h PHE 148 Cb 1.26 -0.04 0.01 0.00 2.79 0.00 0.00 35.95 39.96 2jul h PHE 148 CO 0.80 0.00 -0.32 0.93 -2.23 0.00 0.00 178.31 177.49 2jul h GLU 149 N 0.08 -0.87 -0.96 1.11 5.08 -1.95 0.87 114.58 117.94 2jul h GLU 149 Ca 0.60 0.06 0.23 0.00 -1.00 0.00 0.00 59.36 59.24 2jul h GLU 149 Cb 2.19 0.20 -0.07 0.00 0.50 0.00 0.00 28.75 31.56 2jul h GLU 149 CO -0.09 -0.58 0.63 -0.44 -1.00 0.00 0.00 179.01 177.53 2jul h ASP 150 N -1.02 0.40 -0.10 1.42 5.19 -1.58 0.28 116.42 121.02 2jul h ASP 150 Ca -0.09 0.05 -0.01 0.00 -0.62 0.00 0.00 57.03 56.36 2jul h ASP 150 Cb 0.70 -0.02 -0.00 0.00 0.18 0.00 0.00 39.33 40.18 2jul h ASP 150 CO 0.15 0.13 0.03 0.15 -3.12 0.00 0.00 179.24 176.59 2jul h PHE 151 N 0.39 0.17 -0.74 4.55 3.04 -0.92 -0.82 116.94 122.60 2jul h PHE 151 Ca 0.51 -0.02 -0.06 0.00 3.98 0.00 0.00 57.97 62.39 2jul h PHE 151 Cb 1.32 -0.05 -0.03 0.00 2.56 0.00 0.00 35.95 39.75 2jul h PHE 151 CO -0.00 0.31 0.24 0.28 -2.02 0.00 0.00 178.31 177.12 2jul h VAL 152 N -0.03 1.26 -0.75 1.41 2.07 0.18 -2.32 116.25 118.07 2jul h VAL 152 Ca 0.03 -0.89 0.01 0.00 0.82 0.00 0.00 66.70 66.67 2jul h VAL 152 Cb 0.23 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 30.39 2jul h VAL 152 CO -0.00 0.35 0.50 0.58 0.02 0.00 0.00 177.57 179.02 2jul h VAL 153 N 1.09 1.19 0.26 2.57 2.07 -0.36 -2.41 116.25 120.67 2jul h VAL 153 Ca 0.24 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 2jul h VAL 153 Cb 0.29 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.14 2jul h VAL 153 CO -0.01 0.19 -0.14 1.23 0.02 0.00 0.00 177.57 178.86 2jul h GLY 154 N 1.02 -0.38 -0.46 2.17 0.00 -0.73 -1.24 103.07 103.45 2jul h GLY 154 Ca 0.28 0.15 0.32 0.00 0.00 0.00 0.00 47.33 48.07 2jul h GLY 154 CO -0.06 -0.14 0.71 -2.00 0.00 0.00 0.00 176.54 175.04 2jul h LEU 155 N -0.37 0.40 -0.70 3.11 7.12 -1.09 1.17 115.31 124.96 2jul h LEU 155 Ca -0.03 0.11 -0.07 0.00 0.13 0.00 0.00 57.88 58.02 2jul h LEU 155 Cb 0.29 0.06 -0.03 0.00 -0.53 0.00 0.00 40.66 40.45 2jul h LEU 155 CO 0.05 -0.01 0.18 -1.28 -0.13 0.00 0.00 178.44 177.25 2jul h SER 156 N 0.30 1.05 -0.09 1.25 0.87 -0.76 1.14 113.55 117.32 2jul h SER 156 Ca 0.68 -0.23 -0.09 0.00 -1.23 0.00 0.00 61.79 60.91 2jul h SER 156 Cb 1.82 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 63.49 2jul h SER 156 CO -0.37 1.00 -0.23 0.40 -0.53 0.00 0.00 176.83 177.11 2jul h ILE 157 N 1.04 1.26 0.00 2.23 2.04 0.19 1.87 117.51 126.14 2jul h ILE 157 Ca 0.22 -1.23 -0.00 0.00 1.00 0.00 0.00 64.86 64.85 2jul h ILE 157 Cb 0.36 1.30 0.00 0.00 -0.74 0.00 0.00 36.82 37.74 2jul h ILE 157 CO 0.00 0.39 -0.00 -0.07 0.00 0.00 0.00 178.15 178.47 2jul h LEU 158 N 0.45 -0.00 0.01 1.44 4.07 -0.51 -3.37 115.31 117.41 2jul h LEU 158 Ca 0.07 -0.95 -0.00 0.00 0.08 0.00 0.00 57.88 57.07 2jul h LEU 158 Cb 0.64 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.38 2jul h LEU 158 CO 0.05 0.96 -0.01 0.25 -1.08 0.00 0.00 178.44 178.61 2jul h LEU 159 N -0.96 -0.02 0.00 1.67 6.46 0.14 -3.47 115.31 119.12 2jul h LEU 159 Ca -0.00 -0.22 -0.22 0.00 -0.12 0.00 0.00 57.88 57.31 2jul h LEU 159 Cb 0.95 0.00 0.08 0.00 -0.73 0.00 0.00 40.66 40.97 2jul h LEU 159 CO 0.00 0.59 0.19 -1.14 -0.62 0.00 0.00 178.44 177.46 2jul n ARG 160 N -4.76 -0.53 -0.66 1.25 0.63 0.63 -4.96 116.66 108.28 2jul n ARG 160 Ca -0.03 -1.11 0.00 0.00 -0.92 0.00 0.00 57.85 55.80 2jul n ARG 160 Cb 0.12 -0.65 0.00 0.00 0.45 0.00 0.00 32.46 32.38 2jul n ARG 160 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2jul n GLY 161 N 0.62 -3.36 3.88 5.14 0.00 -1.23 -4.31 105.19 105.93 2jul n GLY 161 Ca 0.09 -1.10 -0.30 0.00 0.00 0.00 0.00 46.02 44.71 2jul n GLY 161 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jul s THR 162 N -4.45 2.90 0.61 2.61 -4.23 -1.26 -4.82 115.64 107.00 2jul s THR 162 Ca 0.00 0.29 0.24 0.00 -1.18 0.00 0.00 61.69 61.04 2jul s THR 162 Cb 0.00 -3.26 0.34 0.00 1.34 0.00 0.00 72.50 70.91 2jul s THR 162 CO 0.00 -0.38 1.45 -0.37 -0.54 0.00 0.00 174.62 174.78 2jul h VAL 163 N -0.85 0.09 -0.08 2.29 -1.51 -1.96 0.43 116.25 114.67 2jul h VAL 163 Ca -0.46 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.01 2jul h VAL 163 Cb 1.28 0.20 -0.00 0.00 -2.13 0.00 0.00 31.29 30.64 2jul h VAL 163 CO 0.64 0.00 0.04 -0.74 -1.23 0.00 0.00 177.57 176.28 2jul h HIS 164 N 0.00 0.11 -0.83 5.19 -0.00 -1.99 -0.88 115.15 116.74 2jul h HIS 164 Ca 0.33 -0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.69 2jul h HIS 164 Cb 2.24 -0.03 -0.04 0.00 -0.00 0.00 0.00 27.41 29.57 2jul h HIS 164 CO 0.00 0.20 0.50 0.93 -0.00 0.00 0.00 177.93 179.56 2jul h GLU 165 N -0.01 1.13 -0.83 5.26 4.39 -0.45 -2.21 114.58 121.86 2jul h GLU 165 Ca 0.03 -0.10 -0.03 0.00 0.34 0.00 0.00 59.36 59.59 2jul h GLU 165 Cb 0.13 -0.24 -0.04 0.00 -0.10 0.00 0.00 28.75 28.50 2jul h GLU 165 CO -0.00 0.80 0.39 0.87 -1.16 0.00 0.00 179.01 179.91 2jul h LYS 166 N 1.15 1.20 -0.52 2.33 1.57 -1.39 -2.56 116.57 118.36 2jul h LYS 166 Ca 0.30 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 58.90 2jul h LYS 166 Cb -0.05 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.02 2jul h LYS 166 CO -0.06 0.93 0.32 -0.07 -0.57 0.00 0.00 179.45 180.00 2jul h LEU 167 N 1.19 0.62 -0.93 2.94 3.38 -0.58 -1.87 115.31 120.06 2jul h LEU 167 Ca 0.29 -0.05 0.09 0.00 0.09 0.00 0.00 57.88 58.30 2jul h LEU 167 Cb 0.13 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 40.65 2jul h LEU 167 CO -0.03 0.48 0.57 0.50 0.09 0.00 0.00 178.44 180.04 2jul h LYS 168 N 0.70 0.93 -0.20 1.13 3.64 -1.04 0.32 116.57 122.05 2jul h LYS 168 Ca 0.19 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.51 2jul h LYS 168 Cb -0.03 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.57 2jul h LYS 168 CO -0.04 0.62 0.11 2.35 -2.27 0.00 0.00 179.45 180.22 2jul h TRP 169 N 0.96 0.27 -0.82 1.91 7.01 -1.05 -2.05 115.95 122.18 2jul h TRP 169 Ca 0.44 -0.01 -0.04 0.00 2.11 0.00 0.00 58.89 61.39 2jul h TRP 169 Cb 0.34 -0.09 -0.04 0.00 -2.10 0.00 0.00 29.16 27.28 2jul h TRP 169 CO -0.03 0.25 0.34 0.00 -2.79 0.00 0.00 178.44 176.22 2jul h ALA 170 N 0.99 1.06 -0.81 2.65 0.00 -0.52 -1.41 119.26 121.22 2jul h ALA 170 Ca 0.07 -0.19 0.12 0.00 0.00 0.00 0.00 54.91 54.91 2jul h ALA 170 Cb 0.07 -0.32 -0.06 0.00 0.00 0.00 0.00 17.79 17.48 2jul h ALA 170 CO -0.01 0.67 0.53 0.35 0.00 0.00 0.00 179.25 180.79 2jul h PHE 171 N 1.18 0.73 0.05 0.00 3.04 0.01 -0.72 116.94 121.23 2jul h PHE 171 Ca 0.27 0.02 -0.26 0.00 3.98 0.00 0.00 57.97 61.99 2jul h PHE 171 Cb 0.19 -0.23 0.01 0.00 2.56 0.00 0.00 35.95 38.48 2jul h PHE 171 CO 0.02 0.30 -1.09 -0.91 -2.02 0.00 0.00 178.31 174.62 2jul h ASN 172 N 0.65 0.66 -0.70 0.41 2.35 -0.67 -3.27 115.58 115.00 2jul h ASN 172 Ca 0.39 -0.57 0.07 0.00 -0.55 0.00 0.00 56.30 55.64 2jul h ASN 172 Cb 0.62 -0.20 -0.06 0.00 0.05 0.00 0.00 38.32 38.73 2jul h ASN 172 CO -0.16 1.39 0.38 0.25 -1.65 0.00 0.00 177.43 177.64 2jul h LEU 173 N 0.24 0.54 -2.92 1.61 5.85 -0.12 -1.34 115.31 119.17 2jul h LEU 173 Ca -0.12 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.64 2jul h LEU 173 Cb 1.75 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.72 2jul h LEU 173 CO 0.20 0.33 0.00 -1.22 -0.34 0.00 0.00 178.44 177.41 2jul n TYR 174 N -4.80 0.00 -3.20 1.25 4.02 -0.79 -4.53 117.16 109.10 2jul n TYR 174 Ca 0.10 -0.67 0.04 0.00 -0.01 0.00 0.00 57.90 57.35 2jul n TYR 174 Cb 0.21 -0.39 -0.01 0.00 -0.02 0.00 0.00 39.34 39.13 2jul n TYR 174 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 2jul s ASP 175 N 1.75 -1.34 -0.25 7.72 -1.08 -0.51 -4.82 116.67 118.15 2jul s ASP 175 Ca 0.00 0.94 -0.06 0.00 -0.52 0.00 0.00 52.55 52.91 2jul s ASP 175 Cb 0.00 2.17 -0.17 0.00 -1.46 0.00 0.00 42.92 43.46 2jul s ASP 175 CO 0.00 -0.25 -0.17 -0.38 0.52 0.00 0.00 175.17 174.89 2jul n ILE 176 N 5.43 1.54 -1.46 4.11 -0.00 -1.26 -4.89 119.36 122.83 2jul n ILE 176 Ca -0.02 -0.48 -0.32 0.00 -0.00 0.00 0.00 62.75 61.92 2jul n ILE 176 Cb 0.51 -1.65 0.08 0.00 -0.00 0.00 0.00 39.64 38.58 2jul n ILE 176 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 2jul s ASN 177 N -6.93 4.59 0.00 4.38 2.20 -1.26 -4.98 114.94 112.95 2jul s ASN 177 Ca -0.34 2.02 0.00 0.00 -0.94 0.00 0.00 52.86 53.59 2jul s ASN 177 Cb 0.10 -2.55 0.00 0.00 -2.00 0.00 0.00 41.25 36.80 2jul s ASN 177 CO 0.58 -1.98 0.19 0.29 -2.94 0.00 0.00 177.10 173.25 2jul n LYS 178 N -2.95 0.00 0.00 3.55 5.02 -1.26 -4.64 118.16 117.88 2jul n LYS 178 Ca 0.11 0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 2jul n LYS 178 Cb 0.52 -0.69 0.00 0.00 -0.02 0.00 0.00 35.03 34.84 2jul n LYS 178 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2jul n ASP 179 N -0.30 0.00 0.00 4.39 2.03 -1.26 -4.72 116.55 116.69 2jul n ASP 179 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2jul n ASP 179 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2jul n ASP 179 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jul n GLY 180 N 0.00 -0.05 3.28 0.27 0.00 -1.26 -5.15 105.19 102.28 2jul n GLY 180 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 2jul n GLY 180 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jul s ILE 182 N -3.28 4.93 0.13 0.00 1.01 0.99 -4.87 121.20 120.11 2jul s ILE 182 Ca 0.19 -0.54 -0.15 0.00 0.00 0.00 0.00 60.65 60.16 2jul s ILE 182 Cb 0.02 -3.79 0.03 0.00 0.01 0.00 0.00 42.46 38.73 2jul s ILE 182 CO 0.03 -0.49 0.38 -0.89 0.00 0.00 0.00 174.94 173.96 2jul s THR 183 N -2.31 0.08 0.25 2.92 2.01 -1.26 -0.39 115.64 116.93 2jul s THR 183 Ca 0.41 -0.72 -0.04 0.00 0.31 0.00 0.00 61.69 61.65 2jul s THR 183 Cb -0.10 -1.27 0.22 0.00 0.01 0.00 0.00 72.50 71.37 2jul s THR 183 CO 0.35 -0.34 1.83 0.50 -0.69 0.00 0.00 174.62 176.27 2jul h LYS 184 N 2.41 0.87 0.37 4.92 3.64 -1.94 0.47 116.57 127.31 2jul h LYS 184 Ca -0.33 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 58.98 2jul h LYS 184 Cb 1.25 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 2jul h LYS 184 CO 0.47 0.58 -0.18 1.49 -2.27 0.00 0.00 179.45 179.54 2jul h GLU 185 N 0.90 -0.48 -0.42 1.90 4.81 -1.99 -1.28 114.58 118.02 2jul h GLU 185 Ca 0.40 0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.70 2jul h GLU 185 Cb 0.30 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 2jul h GLU 185 CO -0.22 -0.25 0.28 0.93 -0.73 0.00 0.00 179.01 179.02 2jul h GLU 186 N -0.61 0.42 -0.33 1.92 5.08 -1.87 -1.05 114.58 118.14 2jul h GLU 186 Ca -0.05 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.19 2jul h GLU 186 Cb 0.45 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 2jul h GLU 186 CO 0.08 0.28 -0.20 1.98 -1.00 0.00 0.00 179.01 180.15 2jul h MET 187 N 0.43 0.63 -0.44 2.33 4.05 -0.54 -2.69 114.93 118.70 2jul h MET 187 Ca 0.17 -0.23 -0.09 0.00 -0.28 0.00 0.00 59.70 59.28 2jul h MET 187 Cb 0.16 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 30.90 2jul h MET 187 CO -0.04 0.79 -0.08 1.25 0.23 0.00 0.00 176.91 179.06 2jul h LEU 188 N 0.56 0.76 -0.83 3.39 6.46 -0.01 -2.33 115.31 123.31 2jul h LEU 188 Ca 0.09 -0.21 -0.07 0.00 -0.12 0.00 0.00 57.88 57.56 2jul h LEU 188 Cb 0.66 -0.20 -0.03 0.00 -0.73 0.00 0.00 40.66 40.36 2jul h LEU 188 CO 0.05 0.87 0.11 0.00 -0.62 0.00 0.00 178.44 178.86 2jul h ALA 189 N 1.20 1.03 -0.16 1.25 0.00 -1.18 -0.19 119.26 121.22 2jul h ALA 189 Ca 0.13 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2jul h ALA 189 Cb 0.55 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2jul h ALA 189 CO 0.03 0.62 0.04 0.82 0.00 0.00 0.00 179.25 180.76 2jul h ILE 190 N 0.94 1.20 -0.39 0.00 1.08 -1.17 -1.27 117.51 117.89 2jul h ILE 190 Ca 0.19 -0.63 -0.06 0.00 -0.39 0.00 0.00 64.86 63.97 2jul h ILE 190 Cb 0.39 1.33 -0.02 0.00 -3.07 0.00 0.00 36.82 35.44 2jul h ILE 190 CO 0.01 0.19 -0.02 -0.03 -0.69 0.00 0.00 178.15 177.61 2jul h MET 191 N 0.06 0.64 -0.59 2.37 4.05 -1.27 -2.50 114.93 117.69 2jul h MET 191 Ca 0.05 -0.16 -0.03 0.00 -0.28 0.00 0.00 59.70 59.28 2jul h MET 191 Cb 0.26 -0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 30.95 2jul h MET 191 CO 0.00 0.67 0.24 0.87 0.23 0.00 0.00 176.91 178.92 2jul h LYS 192 N 0.60 0.87 -0.05 0.39 1.57 -0.78 -1.53 116.57 117.64 2jul h LYS 192 Ca 0.12 -0.15 0.02 0.00 -1.87 0.00 0.00 60.65 58.77 2jul h LYS 192 Cb 0.41 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 2jul h LYS 192 CO 0.02 0.74 -0.05 0.77 -0.57 0.00 0.00 179.45 180.35 2jul h SER 193 N 0.81 -0.16 -0.80 0.86 0.02 -0.81 -0.86 113.55 112.61 2jul h SER 193 Ca 0.20 0.03 0.03 0.00 -0.84 0.00 0.00 61.79 61.21 2jul h SER 193 Cb 0.19 0.08 -0.05 0.00 0.14 0.00 0.00 62.40 62.76 2jul h SER 193 CO -0.02 -0.07 0.51 0.40 -1.14 0.00 0.00 176.83 176.51 2jul h ILE 194 N -0.07 1.14 -0.46 3.27 2.04 -1.31 0.96 117.51 123.09 2jul h ILE 194 Ca 0.04 -0.34 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 2jul h ILE 194 Cb 0.12 0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.22 2jul h ILE 194 CO -0.09 0.18 0.26 1.88 0.00 0.00 0.00 178.15 180.38 2jul h TYR 195 N 1.00 0.60 0.00 1.37 -1.99 -0.74 -1.86 116.97 115.35 2jul h TYR 195 Ca 0.31 0.00 -0.13 0.00 2.00 0.00 0.00 58.73 60.91 2jul h TYR 195 Cb -0.01 -0.20 -0.02 0.00 2.00 0.00 0.00 36.73 38.50 2jul h TYR 195 CO -0.03 0.41 -1.11 -0.44 -0.00 0.00 0.00 178.16 176.99 2jul h ASP 196 N 0.63 0.00 0.70 3.88 5.19 0.01 -3.29 116.42 123.54 2jul h ASP 196 Ca 0.16 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.54 2jul h ASP 196 Cb 0.00 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.51 2jul h ASP 196 CO -0.03 0.49 -0.18 -0.03 -3.12 0.00 0.00 179.24 176.37 2jul h MET 197 N 0.00 0.00 -6.11 3.56 4.05 0.17 -3.43 114.93 113.17 2jul h MET 197 Ca -0.10 0.00 -0.77 0.00 -0.28 0.00 0.00 59.70 58.55 2jul h MET 197 Cb 1.47 0.00 0.03 0.00 -0.80 0.00 0.00 31.60 32.29 2jul h MET 197 CO 0.05 0.18 0.61 -0.12 0.23 0.00 0.00 176.91 177.86 2jul n MET 198 N -3.48 0.66 0.00 0.39 0.00 -0.86 -4.51 117.12 109.32 2jul n MET 198 Ca -0.01 0.24 0.00 0.00 0.00 0.00 0.00 57.70 57.93 2jul n MET 198 Cb 0.35 -1.84 0.00 0.00 0.00 0.00 0.00 33.22 31.74 2jul n MET 198 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2jul n GLY 199 N 3.33 -1.28 7.00 -5.12 0.00 -1.26 -4.92 105.19 102.94 2jul n GLY 199 Ca 0.25 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2jul n GLY 199 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2jul n ARG 200 N 0.00 0.00 -3.63 1.61 0.63 -1.26 -4.95 116.66 109.06 2jul n ARG 200 Ca 0.00 0.00 -0.06 0.00 -0.92 0.00 0.00 57.85 56.87 2jul n ARG 200 Cb 0.00 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 32.85 2jul n ARG 200 CO 0.00 0.00 0.00 -3.38 -2.51 0.00 0.00 177.63 171.74 2jul s HIS 201 N 0.00 -0.25 -0.20 -0.14 -3.43 -1.26 -5.06 115.29 104.95 2jul s HIS 201 Ca 0.00 0.56 -0.17 0.00 -0.80 0.00 0.00 55.06 54.65 2jul s HIS 201 Cb 0.00 0.44 0.03 0.00 -1.43 0.00 0.00 32.58 31.61 2jul s HIS 201 CO 0.00 -0.14 0.29 0.25 -2.00 0.00 0.00 174.74 173.14 2jul n THR 202 N 1.57 -2.98 -2.67 -5.38 -2.24 -1.26 -4.94 114.28 96.38 2jul n THR 202 Ca -0.10 0.34 -0.05 0.00 -2.27 0.00 0.00 64.05 61.97 2jul n THR 202 Cb 0.57 -3.30 0.05 0.00 -2.10 0.00 0.00 70.33 65.55 2jul n THR 202 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jul n TYR 203 N 0.64 -1.35 -1.22 4.78 4.11 -1.26 -5.15 117.16 117.71 2jul n TYR 203 Ca -0.04 -1.25 -0.35 0.00 -0.00 0.00 0.00 57.90 56.26 2jul n TYR 203 Cb 0.58 1.35 0.09 0.00 -0.00 0.00 0.00 39.34 41.36 2jul n TYR 203 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.86 174.56 2jul n PRO 204 N -0.59 0.31 -0.36 -3.48 -0.01 -1.26 -4.94 135.00 124.67 2jul n PRO 204 Ca -0.15 0.16 0.00 0.00 -0.01 0.00 0.00 63.50 63.50 2jul n PRO 204 Cb 0.74 -2.13 0.00 0.00 -0.01 0.00 0.00 33.50 32.10 2jul n PRO 204 CO 0.00 0.00 0.00 0.44 -0.01 0.00 0.00 175.50 175.93 2jul n ILE 205 N -2.75 0.00 -2.94 4.25 -6.64 -1.26 -5.08 119.36 104.94 2jul n ILE 205 Ca 0.12 0.00 -0.00 0.00 -1.77 0.00 0.00 62.75 61.10 2jul n ILE 205 Cb 0.50 0.38 -0.00 0.00 -1.44 0.00 0.00 39.64 39.08 2jul n ILE 205 CO 0.00 0.00 0.00 0.18 -1.77 0.00 0.00 176.55 174.96 2jul n LEU 206 N 0.00 -5.92 0.00 7.28 4.77 -1.26 -4.19 117.00 117.68 2jul n LEU 206 Ca 0.00 0.96 0.00 0.00 -0.03 0.00 0.00 56.01 56.94 2jul n LEU 206 Cb 0.58 -2.52 0.00 0.00 -2.33 0.00 0.00 43.42 39.16 2jul n LEU 206 CO 0.00 -2.40 0.00 0.54 -1.33 0.00 0.00 177.39 174.20 2jul n ARG 207 N 1.00 0.00 0.00 3.23 1.74 -1.26 -4.62 116.66 116.76 2jul n ARG 207 Ca -0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2jul n ARG 207 Cb 0.24 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.68 2jul n ARG 207 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 2jul n GLU 208 N 0.00 0.00 -2.80 5.56 0.00 -1.26 -4.56 120.64 117.57 2jul n GLU 208 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 57.16 57.06 2jul n GLU 208 Cb 0.00 -2.19 0.06 0.00 0.00 0.00 0.00 31.44 29.31 2jul n GLU 208 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 2jul n ASP 209 N 0.00 -2.03 -4.71 4.31 2.03 -1.26 -5.11 116.55 109.77 2jul n ASP 209 Ca 0.00 -3.50 -0.63 0.00 0.52 0.00 0.00 54.79 51.18 2jul n ASP 209 Cb 0.00 1.53 -0.09 0.00 -0.72 0.00 0.00 41.12 41.85 2jul n ASP 209 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jul n ALA 210 N 0.69 -1.07 0.17 -1.67 0.00 -1.26 -4.69 120.51 112.67 2jul n ALA 210 Ca 0.09 0.47 0.00 0.00 0.00 0.00 0.00 53.44 54.00 2jul n ALA 210 Cb 0.67 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 18.09 2jul n ALA 210 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2jul n PRO 211 N 4.26 0.11 -0.03 0.00 -0.04 -1.26 -3.23 135.00 134.81 2jul n PRO 211 Ca 0.28 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.73 2jul n PRO 211 Cb 0.03 -1.03 -0.00 0.00 -0.04 0.00 0.00 33.50 32.46 2jul n PRO 211 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2jul h LEU 212 N 0.46 0.00 -1.56 1.53 -0.00 -1.99 -3.26 115.31 110.48 2jul h LEU 212 Ca 0.00 0.00 0.47 0.00 -0.00 0.00 0.00 57.88 58.35 2jul h LEU 212 Cb 0.03 0.00 -0.12 0.00 -0.00 0.00 0.00 40.66 40.57 2jul h LEU 212 CO 0.00 0.28 0.99 -0.33 -0.00 0.00 0.00 178.44 179.38 2jul h GLU 213 N -0.40 0.04 0.33 1.13 5.08 -1.94 0.48 114.58 119.30 2jul h GLU 213 Ca 0.00 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2jul h GLU 213 Cb 0.15 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2jul h GLU 213 CO 0.00 0.03 -0.16 1.25 -1.00 0.00 0.00 179.01 179.13 2jul h HIS 214 N 0.04 -0.41 0.00 4.33 2.76 -1.74 -1.04 115.15 119.09 2jul h HIS 214 Ca 0.85 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 59.01 2jul h HIS 214 Cb 2.90 0.14 0.00 0.00 1.55 0.00 0.00 27.41 32.00 2jul h HIS 214 CO -0.00 -0.26 0.00 0.28 -1.30 0.00 0.00 177.93 176.65 2jul h VAL 215 N -0.66 0.00 0.03 5.26 2.07 -1.16 -1.59 116.25 120.21 2jul h VAL 215 Ca -0.05 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 2jul h VAL 215 Cb 0.34 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 2jul h VAL 215 CO 0.07 0.00 -0.02 -0.08 0.02 0.00 0.00 177.57 177.57 2jul h GLU 216 N 0.00 -0.04 -0.06 1.57 4.57 0.03 -2.62 114.58 118.03 2jul h GLU 216 Ca 0.00 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.14 2jul h GLU 216 Cb 0.00 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.60 2jul h GLU 216 CO 0.00 0.64 -0.17 0.00 -1.18 0.00 0.00 179.01 178.30 2jul h ARG 217 N -0.82 0.09 -0.20 1.92 3.08 -0.50 -1.07 114.38 116.88 2jul h ARG 217 Ca -0.00 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 2jul h ARG 217 Cb 0.70 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 2jul h ARG 217 CO 0.01 0.27 0.09 0.35 -1.07 0.00 0.00 179.97 179.61 2jul h PHE 218 N 0.09 0.30 0.00 3.04 3.04 -1.33 0.29 116.94 122.36 2jul h PHE 218 Ca 0.02 -0.02 -0.07 0.00 3.98 0.00 0.00 57.97 61.88 2jul h PHE 218 Cb 0.36 -0.09 -0.01 0.00 2.56 0.00 0.00 35.95 38.77 2jul h PHE 218 CO 0.00 0.33 -0.34 0.35 -2.02 0.00 0.00 178.31 176.62 2jul h PHE 219 N 0.19 0.00 -0.29 0.41 3.57 -1.06 -1.01 116.94 118.74 2jul h PHE 219 Ca 0.07 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.44 2jul h PHE 219 Cb 0.15 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.88 2jul h PHE 219 CO -0.02 0.34 -0.34 0.37 -2.23 0.00 0.00 178.31 176.44 2jul h GLN 220 N 0.00 0.75 -0.03 1.11 4.15 -0.62 -3.09 115.11 117.38 2jul h GLN 220 Ca -0.00 -0.41 -0.18 0.00 0.77 0.00 0.00 58.65 58.83 2jul h GLN 220 Cb 0.80 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.50 2jul h GLN 220 CO 0.04 1.04 -0.76 0.87 -1.93 0.00 0.00 178.83 178.09 2jul h LYS 221 N 0.50 0.23 0.00 1.69 1.57 -0.78 -3.46 116.57 116.32 2jul h LYS 221 Ca 0.04 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 2jul h LYS 221 Cb 0.92 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.28 2jul h LYS 221 CO 0.08 0.88 0.00 -0.12 -0.57 0.00 0.00 179.45 179.72 2jul n MET 222 N -3.76 3.71 -4.09 3.15 1.56 -0.40 -4.72 117.12 112.57 2jul n MET 222 Ca -0.03 0.00 -0.34 0.00 -0.27 0.00 0.00 57.70 57.06 2jul n MET 222 Cb 0.72 0.00 -0.03 0.00 2.15 0.00 0.00 33.22 36.06 2jul n MET 222 CO 0.00 0.00 0.00 -0.25 -0.73 0.00 0.00 175.97 174.99 2jul n ASP 223 N 0.00 -3.01 -4.43 6.12 8.00 -1.25 -4.80 116.55 117.18 2jul n ASP 223 Ca 0.00 -0.90 -0.44 0.00 0.71 0.00 0.00 54.79 54.16 2jul n ASP 223 Cb 0.00 -2.50 -0.00 0.00 -0.02 0.00 0.00 41.12 38.60 2jul n ASP 223 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2jul s ARG 224 N -6.78 4.03 -0.07 -1.24 1.81 -1.26 -4.72 118.95 110.72 2jul s ARG 224 Ca 0.69 -2.62 -0.30 0.00 -1.72 0.00 0.00 55.73 51.77 2jul s ARG 224 Cb -0.38 -4.90 0.10 0.00 -0.45 0.00 0.00 34.95 29.32 2jul s ARG 224 CO 0.84 -1.62 1.35 0.54 -0.68 0.00 0.00 175.30 175.73 2jul s ASN 225 N 2.55 0.00 0.01 0.23 2.20 -1.26 -4.99 114.94 113.68 2jul s ASN 225 Ca 0.37 -0.07 0.28 0.00 -0.94 0.00 0.00 52.86 52.51 2jul s ASN 225 Cb -0.05 0.05 1.13 0.00 -2.00 0.00 0.00 41.25 40.38 2jul s ASN 225 CO -0.03 -0.11 1.85 0.00 -2.94 0.00 0.00 177.10 175.87 2jul n GLN 226 N -0.93 0.01 0.21 3.55 3.00 -1.26 -3.28 117.38 118.68 2jul n GLN 226 Ca 0.05 0.01 0.14 0.00 -0.01 0.00 0.00 57.00 57.19 2jul n GLN 226 Cb 0.59 -1.51 0.45 0.00 0.00 0.00 0.00 30.24 29.76 2jul n GLN 226 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.06 177.44 2jul h ASP 227 N 0.00 0.00 0.00 1.08 2.03 -1.94 -3.46 116.42 114.14 2jul h ASP 227 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2jul h ASP 227 Cb 0.51 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.01 2jul h ASP 227 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.82 2jul n GLY 228 N 0.56 0.56 3.88 7.15 0.00 -1.21 -4.88 105.19 111.25 2jul n GLY 228 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 2jul n GLY 228 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2jul s VAL 229 N 0.00 4.79 -0.17 1.61 -7.23 -1.26 -4.78 120.40 113.35 2jul s VAL 229 Ca 0.00 0.60 -0.14 0.00 -1.81 0.00 0.00 61.98 60.63 2jul s VAL 229 Cb 0.00 -3.84 -0.04 0.00 0.56 0.00 0.00 36.38 33.06 2jul s VAL 229 CO 0.00 -0.90 0.31 0.54 -0.31 0.00 0.00 175.10 174.74 2jul s VAL 230 N -2.84 5.29 0.28 1.32 0.11 0.47 -4.76 120.40 120.27 2jul s VAL 230 Ca 0.52 0.56 0.09 0.00 -2.93 0.00 0.00 61.98 60.22 2jul s VAL 230 Cb -0.11 -3.65 -0.04 0.00 -1.53 0.00 0.00 36.38 31.06 2jul s VAL 230 CO 0.45 0.35 0.03 -0.89 -3.33 0.00 0.00 175.10 171.71 2jul s THR 231 N 0.70 3.33 0.54 5.04 2.01 -1.26 -0.01 115.64 125.98 2jul s THR 231 Ca 0.16 -1.87 0.48 0.00 0.31 0.00 0.00 61.69 60.78 2jul s THR 231 Cb -0.13 -2.87 0.71 0.00 0.01 0.00 0.00 72.50 70.21 2jul s THR 231 CO 0.05 -0.33 1.54 2.30 -0.69 0.00 0.00 174.62 177.49 2jul n ILE 232 N -0.95 -0.03 0.13 1.82 -5.35 -1.26 -0.44 119.36 113.28 2jul n ILE 232 Ca -0.06 1.51 -0.05 0.00 -0.27 0.00 0.00 62.75 63.88 2jul n ILE 232 Cb 0.60 -2.51 -0.02 0.00 -1.74 0.00 0.00 39.64 35.97 2jul n ILE 232 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 2jul h ASP 233 N 0.00 -0.28 -0.07 7.28 5.19 -1.98 0.51 116.42 127.06 2jul h ASP 233 Ca 0.93 0.01 0.02 0.00 -0.62 0.00 0.00 57.03 57.37 2jul h ASP 233 Cb 3.65 0.07 -0.00 0.00 0.18 0.00 0.00 39.33 43.23 2jul h ASP 233 CO -0.06 -0.15 0.17 -0.33 -3.12 0.00 0.00 179.24 175.75 2jul h GLU 234 N -0.44 0.00 0.10 3.56 5.08 -1.28 0.37 114.58 121.97 2jul h GLU 234 Ca -0.03 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2jul h GLU 234 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2jul h GLU 234 CO 0.06 0.00 -0.05 0.35 -1.00 0.00 0.00 179.01 178.37 2jul h PHE 235 N 0.00 -0.12 -0.06 4.33 3.57 -0.55 -1.98 116.94 122.13 2jul h PHE 235 Ca 0.04 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.44 2jul h PHE 235 Cb 0.37 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 2jul h PHE 235 CO 0.00 0.34 -0.37 -0.07 -2.23 0.00 0.00 178.31 175.98 2jul h LEU 236 N -0.94 0.12 -0.42 0.59 4.07 0.73 -1.30 115.31 118.16 2jul h LEU 236 Ca -0.01 -0.05 -0.14 0.00 0.08 0.00 0.00 57.88 57.76 2jul h LEU 236 Cb 0.51 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 42.21 2jul h LEU 236 CO 0.02 0.49 -0.30 -0.33 -1.08 0.00 0.00 178.44 177.24 2jul h GLU 237 N 0.11 0.94 -0.14 1.13 4.39 -0.36 0.36 114.58 120.99 2jul h GLU 237 Ca 0.01 -0.45 -0.11 0.00 0.34 0.00 0.00 59.36 59.15 2jul h GLU 237 Cb 0.71 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.36 2jul h GLU 237 CO 0.05 1.11 -0.36 1.15 -1.16 0.00 0.00 179.01 179.81 2jul h THR 238 N 0.76 1.36 -0.44 1.13 2.02 -1.12 -2.87 112.91 113.75 2jul h THR 238 Ca 0.08 -1.64 -0.13 0.00 0.77 0.00 0.00 66.41 65.50 2jul h THR 238 Cb 0.88 2.04 -0.01 0.00 -1.74 0.00 0.00 68.15 69.32 2jul h THR 238 CO 0.08 0.49 -0.22 0.00 0.37 0.00 0.00 175.52 176.24 2jul h GLN 240 N 0.78 -0.36 -6.19 0.00 4.20 -0.94 -3.43 115.11 109.15 2jul h GLN 240 Ca 0.10 0.02 -0.64 0.00 0.06 0.00 0.00 58.65 58.20 2jul h GLN 240 Cb 0.77 0.08 0.12 0.00 0.30 0.00 0.00 27.48 28.76 2jul h GLN 240 CO 0.06 -0.24 -0.35 1.17 -0.67 0.00 0.00 178.83 178.80 2jul n LYS 241 N -5.28 0.49 -1.81 1.46 4.81 -1.09 -4.77 118.16 111.97 2jul n LYS 241 Ca -0.08 0.17 -0.42 0.00 -0.87 0.00 0.00 58.31 57.11 2jul n LYS 241 Cb 0.20 -1.33 -0.03 0.00 0.02 0.00 0.00 35.03 33.89 2jul n LYS 241 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 2jul s ASP 242 N -0.86 6.50 0.00 3.14 -1.08 -1.26 -4.82 116.67 118.29 2jul s ASP 242 Ca 0.62 2.66 0.00 0.00 -0.52 0.00 0.00 52.55 55.30 2jul s ASP 242 Cb -0.78 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 38.11 2jul s ASP 242 CO 0.58 -0.95 0.00 1.21 0.52 0.00 0.00 175.17 176.54 2jul n GLU 243 N 5.40 0.00 0.00 4.34 4.07 -1.26 -5.06 120.64 128.13 2jul n GLU 243 Ca 0.17 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.27 2jul n GLU 243 Cb 0.39 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.77 2jul n GLU 243 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 2jul n ASN 244 N 0.00 0.00 0.19 4.31 5.15 -1.26 -4.92 115.26 118.73 2jul n ASN 244 Ca 0.00 -0.03 -0.13 0.00 -0.60 0.00 0.00 54.58 53.81 2jul n ASN 244 Cb 0.00 0.00 -0.08 0.00 -0.53 0.00 0.00 39.78 39.17 2jul n ASN 244 CO 0.00 0.00 0.00 -0.29 1.40 0.00 0.00 177.26 178.37 2jul h ILE 245 N 0.03 0.55 -0.02 -1.44 -0.00 -1.96 -1.54 117.51 113.13 2jul h ILE 245 Ca 0.00 -0.55 -0.09 0.00 -0.00 0.00 0.00 64.86 64.22 2jul h ILE 245 Cb 0.02 0.79 -0.01 0.00 -0.00 0.00 0.00 36.82 37.61 2jul h ILE 245 CO 0.00 0.09 -0.43 0.24 -0.00 0.00 0.00 178.15 178.06 2jul h MET 246 N -0.86 0.04 -0.66 2.19 2.86 -1.91 -2.08 114.93 114.52 2jul h MET 246 Ca -0.05 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.58 2jul h MET 246 Cb 0.54 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.17 2jul h MET 246 CO 0.09 0.46 0.44 -0.97 1.06 0.00 0.00 176.91 177.98 2jul h ASN 247 N 0.03 0.74 -0.21 1.22 -1.24 -1.88 -1.59 115.58 112.65 2jul h ASN 247 Ca -0.00 -0.02 -0.03 0.00 0.71 0.00 0.00 56.30 56.96 2jul h ASN 247 Cb 0.77 -0.18 -0.01 0.00 0.73 0.00 0.00 38.32 39.63 2jul h ASN 247 CO 0.06 0.53 0.01 0.77 -1.29 0.00 0.00 177.43 177.51 2jul h SER 248 N 0.87 0.35 -0.87 1.15 4.64 -0.57 -2.71 113.55 116.41 2jul h SER 248 Ca 0.24 -0.29 0.16 0.00 -0.47 0.00 0.00 61.79 61.44 2jul h SER 248 Cb -0.08 -0.09 -0.10 0.00 -0.31 0.00 0.00 62.40 61.82 2jul h SER 248 CO -0.06 0.55 0.44 -0.03 -0.87 0.00 0.00 176.83 176.87 2jul h MET 249 N 0.13 0.58 0.25 4.77 1.85 -1.06 0.86 114.93 122.30 2jul h MET 249 Ca 0.06 -0.03 0.00 0.00 -0.61 0.00 0.00 59.70 59.12 2jul h MET 249 Cb 0.37 -0.13 -0.02 0.00 0.43 0.00 0.00 31.60 32.25 2jul h MET 249 CO 0.01 0.38 -0.27 0.37 -0.40 0.00 0.00 176.91 177.00 2jul h GLN 250 N 0.59 -0.53 -0.26 0.39 5.75 -1.07 1.02 115.11 121.01 2jul h GLN 250 Ca 0.49 0.04 -0.06 0.00 -0.15 0.00 0.00 58.65 58.96 2jul h GLN 250 Cb 0.75 0.12 -0.01 0.00 1.07 0.00 0.00 27.48 29.40 2jul h GLN 250 CO -0.39 -0.35 -0.11 1.25 -2.65 0.00 0.00 178.83 176.57 2jul h LEU 251 N -0.55 0.40 -0.86 -2.39 5.85 -0.95 -0.12 115.31 116.69 2jul h LEU 251 Ca -0.00 -0.09 -0.08 0.00 0.84 0.00 0.00 57.88 58.54 2jul h LEU 251 Cb 0.52 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 2jul h LEU 251 CO -0.07 0.55 -0.40 0.15 -0.34 0.00 0.00 178.44 178.33 2jul h PHE 252 N 0.39 0.00 0.10 1.25 3.57 0.14 -3.13 116.94 119.26 2jul h PHE 252 Ca 0.08 0.00 -0.29 0.00 3.53 0.00 0.00 57.97 61.28 2jul h PHE 252 Cb 0.44 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 2jul h PHE 252 CO 0.01 0.40 -1.47 0.93 -2.23 0.00 0.00 178.31 175.95 2jul h GLU 253 N 0.00 0.21 -6.62 1.11 5.08 0.18 -3.39 114.58 111.16 2jul h GLU 253 Ca -0.00 -0.36 -0.53 0.00 -1.00 0.00 0.00 59.36 57.47 2jul h GLU 253 Cb 0.94 0.13 0.04 0.00 0.50 0.00 0.00 28.75 30.37 2jul h GLU 253 CO 0.05 1.07 0.80 -0.80 -1.00 0.00 0.00 179.01 179.12 2jul s ASN 254 N -6.90 6.69 -0.79 1.42 0.02 -0.13 -3.50 114.94 111.75 2jul s ASN 254 Ca -0.07 2.52 -0.20 0.00 -1.02 0.00 0.00 52.86 54.09 2jul s ASN 254 Cb 0.07 -2.60 0.03 0.00 0.02 0.00 0.00 41.25 38.77 2jul s ASN 254 CO 0.85 -0.73 0.38 1.33 0.02 0.00 0.00 177.10 178.95 2jul n VAL 255 N 3.57 -1.53 0.00 1.60 0.24 -1.26 -4.94 118.33 116.00 2jul n VAL 255 Ca 0.11 -0.37 0.00 0.00 -2.04 0.00 0.00 64.34 62.05 2jul n VAL 255 Cb 0.40 -1.31 0.00 0.00 -1.47 0.00 0.00 33.84 31.46 2jul n VAL 255 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69