#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jul n GLU 77 N 0.00 0.61 0.34 -0.52 0.28 -1.26 -4.34 120.64 115.76 2jul n GLU 77 Ca 0.00 -0.16 -0.17 0.00 -0.16 0.00 0.00 57.16 56.66 2jul n GLU 77 Cb 0.00 -1.44 -0.09 0.00 1.43 0.00 0.00 31.44 31.35 2jul n GLU 77 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 2jul h GLY 78 N 4.27 -0.88 0.81 -1.84 0.00 -2.06 -1.47 103.07 101.90 2jul h GLY 78 Ca 0.03 0.33 -0.02 0.00 0.00 0.00 0.00 47.33 47.66 2jul h GLY 78 CO 0.14 -0.32 -0.24 -2.00 0.00 0.00 0.00 176.54 174.12 2jul h LEU 79 N -0.84 -0.57 -1.17 3.11 5.85 -2.01 -2.48 115.31 117.21 2jul h LEU 79 Ca -0.08 -0.06 0.35 0.00 0.84 0.00 0.00 57.88 58.93 2jul h LEU 79 Cb 0.65 0.15 -0.14 0.00 0.37 0.00 0.00 40.66 41.69 2jul h LEU 79 CO 0.13 -0.26 0.66 -0.78 -0.34 0.00 0.00 178.44 177.85 2jul h ASP 80 N -0.87 0.42 0.00 1.25 1.82 -1.89 0.39 116.42 117.55 2jul h ASP 80 Ca -0.07 0.16 -0.00 0.00 -0.39 0.00 0.00 57.03 56.74 2jul h ASP 80 Cb 0.59 0.12 0.00 0.00 0.68 0.00 0.00 39.33 40.72 2jul h ASP 80 CO 0.11 -0.13 -0.00 -0.61 -1.61 0.00 0.00 179.24 177.00 2jul h GLN 81 N 0.25 -0.00 -0.90 0.28 4.15 -1.00 -2.67 115.11 115.22 2jul h GLN 81 Ca 0.74 0.00 0.11 0.00 0.77 0.00 0.00 58.65 60.28 2jul h GLN 81 Cb 1.94 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 29.56 2jul h GLN 81 CO -0.52 0.27 0.58 1.25 -1.93 0.00 0.00 178.83 178.49 2jul h LEU 82 N -0.28 0.77 -0.06 -2.39 7.12 0.16 -1.60 115.31 119.03 2jul h LEU 82 Ca -0.00 0.03 0.01 0.00 0.13 0.00 0.00 57.88 58.05 2jul h LEU 82 Cb 0.28 -0.12 -0.01 0.00 -0.53 0.00 0.00 40.66 40.27 2jul h LEU 82 CO 0.00 0.43 -0.02 -0.61 -0.13 0.00 0.00 178.44 178.11 2jul h GLN 83 N 0.83 -0.01 -0.30 1.25 5.75 -0.86 0.12 115.11 121.89 2jul h GLN 83 Ca 0.43 0.00 0.09 0.00 -0.15 0.00 0.00 58.65 59.02 2jul h GLN 83 Cb 0.52 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.06 2jul h GLN 83 CO -0.20 -0.01 0.23 0.00 -2.65 0.00 0.00 178.83 176.21 2jul h ALA 84 N 1.05 2.21 -1.57 3.38 0.00 -0.97 -3.24 119.26 120.13 2jul h ALA 84 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2jul h ALA 84 Cb 0.05 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2jul h ALA 84 CO -0.07 -0.38 0.00 0.94 0.00 0.00 0.00 179.25 179.74 2jul n GLN 85 N -4.32 0.00 -2.47 0.00 -0.06 -0.42 -4.87 117.38 105.25 2jul n GLN 85 Ca 0.04 0.23 -0.40 0.00 -2.00 0.00 0.00 57.00 54.87 2jul n GLN 85 Cb 0.39 -0.71 -0.04 0.00 -4.06 0.00 0.00 30.24 25.82 2jul n GLN 85 CO 0.00 0.00 0.00 -0.08 -0.20 0.00 0.00 177.06 176.78 2jul s THR 86 N -0.48 3.47 -0.30 1.69 -1.32 0.27 -4.98 115.64 113.99 2jul s THR 86 Ca 0.00 1.46 -0.29 0.00 -1.21 0.00 0.00 61.69 61.65 2jul s THR 86 Cb 0.00 -3.92 0.02 0.00 -1.51 0.00 0.00 72.50 67.09 2jul s THR 86 CO 0.00 0.33 1.06 -0.54 -2.21 0.00 0.00 174.62 173.26 2jul s LYS 87 N -1.54 4.10 0.00 7.08 1.02 -1.26 -4.57 119.74 124.58 2jul s LYS 87 Ca 0.46 1.11 0.00 0.00 0.02 0.00 0.00 55.97 57.56 2jul s LYS 87 Cb -0.32 -3.72 0.00 0.00 -0.52 0.00 0.00 37.83 33.28 2jul s LYS 87 CO 0.41 -0.84 0.00 1.19 -0.92 0.00 0.00 175.35 175.18 2jul n PHE 88 N 6.74 0.00 -4.72 3.18 3.72 -1.26 -5.11 117.46 120.02 2jul n PHE 88 Ca 0.12 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.19 2jul n PHE 88 Cb 0.47 0.00 -0.14 0.00 -0.94 0.00 0.00 39.48 38.87 2jul n PHE 88 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2jul s THR 89 N -3.00 3.18 0.64 4.37 -4.23 -1.26 -4.96 115.64 110.38 2jul s THR 89 Ca 0.00 -0.62 0.13 0.00 -1.18 0.00 0.00 61.69 60.02 2jul s THR 89 Cb 0.00 -2.34 0.16 0.00 1.34 0.00 0.00 72.50 71.66 2jul s THR 89 CO 0.00 0.52 1.26 0.07 -0.54 0.00 0.00 174.62 175.93 2jul h LYS 90 N 6.71 0.00 0.00 3.99 2.10 -1.98 0.92 116.57 128.32 2jul h LYS 90 Ca -0.26 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.39 2jul h LYS 90 Cb 1.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 2jul h LYS 90 CO 0.57 0.00 -0.00 -0.22 -2.00 0.00 0.00 179.45 177.80 2jul h LYS 91 N 0.00 -0.00 -0.54 0.07 1.63 -2.00 -2.41 116.57 113.32 2jul h LYS 91 Ca 0.14 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.93 2jul h LYS 91 Cb 2.00 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 33.60 2jul h LYS 91 CO -0.00 0.69 0.32 0.93 -3.45 0.00 0.00 179.45 177.94 2jul h GLU 92 N -0.69 0.74 -0.99 1.90 4.39 0.45 -1.84 114.58 118.54 2jul h GLU 92 Ca -0.00 -0.07 0.09 0.00 0.34 0.00 0.00 59.36 59.71 2jul h GLU 92 Cb 0.69 -0.15 -0.07 0.00 -0.10 0.00 0.00 28.75 29.12 2jul h GLU 92 CO 0.00 0.55 0.63 -0.07 -1.16 0.00 0.00 179.01 178.96 2jul h LEU 93 N 0.73 0.97 -0.03 1.33 3.38 -1.38 0.27 115.31 120.58 2jul h LEU 93 Ca 0.19 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.22 2jul h LEU 93 Cb 0.00 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 2jul h LEU 93 CO -0.03 0.58 -0.18 -0.61 0.09 0.00 0.00 178.44 178.29 2jul h GLN 94 N 1.08 -0.26 -0.15 1.13 -0.00 -0.81 1.77 115.11 117.88 2jul h GLN 94 Ca 0.45 0.02 0.00 0.00 -0.00 0.00 0.00 58.65 59.12 2jul h GLN 94 Cb 0.30 0.06 -0.01 0.00 0.00 0.00 0.00 27.48 27.83 2jul h GLN 94 CO -0.20 -0.17 0.10 0.77 0.00 0.00 0.00 178.83 179.32 2jul h SER 95 N -0.27 0.17 -0.52 -0.69 0.02 -1.02 0.11 113.55 111.34 2jul h SER 95 Ca 0.07 -0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.02 2jul h SER 95 Cb 0.36 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.83 2jul h SER 95 CO -0.19 0.12 0.34 -0.07 -1.14 0.00 0.00 176.83 175.89 2jul h LEU 96 N 0.20 0.59 -1.19 5.07 3.38 -0.35 -1.50 115.31 121.50 2jul h LEU 96 Ca 0.05 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.04 2jul h LEU 96 Cb -0.02 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.54 2jul h LEU 96 CO -0.01 0.42 0.55 0.22 0.09 0.00 0.00 178.44 179.71 2jul h TYR 97 N 0.70 1.01 -0.39 1.13 3.20 0.32 -1.77 116.97 121.17 2jul h TYR 97 Ca 0.19 0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.16 2jul h TYR 97 Cb -0.07 -0.34 -0.07 0.00 1.54 0.00 0.00 36.73 37.79 2jul h TYR 97 CO -0.04 0.60 -0.05 -0.09 -1.64 0.00 0.00 178.16 176.94 2jul h ARG 98 N 1.06 0.05 -0.88 1.82 2.43 0.26 0.80 114.38 119.92 2jul h ARG 98 Ca 0.33 -0.00 0.13 0.00 -0.81 0.00 0.00 59.98 59.62 2jul h ARG 98 Cb 0.00 -0.01 -0.09 0.00 -0.42 0.00 0.00 29.97 29.46 2jul h ARG 98 CO -0.09 0.03 0.50 0.78 -1.51 0.00 0.00 179.97 179.68 2jul h GLY 99 N 0.05 1.42 0.70 2.80 0.00 -1.03 0.20 103.07 107.21 2jul h GLY 99 Ca 0.19 -0.31 0.10 0.00 0.00 0.00 0.00 47.33 47.30 2jul h GLY 99 CO -0.36 0.06 0.58 -2.75 0.00 0.00 0.00 176.54 174.07 2jul h PHE 100 N 0.76 0.97 0.00 5.60 3.57 -0.61 0.19 116.94 127.42 2jul h PHE 100 Ca 0.45 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.92 2jul h PHE 100 Cb 0.54 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 2jul h PHE 100 CO -0.06 0.44 -0.30 -0.22 -2.23 0.00 0.00 178.31 175.95 2jul h LYS 101 N 0.90 0.00 0.00 1.11 3.64 0.09 -2.44 116.57 119.86 2jul h LYS 101 Ca 0.42 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.74 2jul h LYS 101 Cb 0.42 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 2jul h LYS 101 CO -0.18 0.30 -0.30 -0.97 -2.27 0.00 0.00 179.45 176.02 2jul h ASN 102 N 0.00 0.00 -3.47 4.20 -0.73 0.02 -3.44 115.58 112.16 2jul h ASN 102 Ca -0.00 0.00 -0.37 0.00 1.87 0.00 0.00 56.30 57.80 2jul h ASN 102 Cb 0.65 0.00 0.16 0.00 0.27 0.00 0.00 38.32 39.40 2jul h ASN 102 CO 0.04 0.30 0.29 -0.62 -0.37 0.00 0.00 177.43 177.07 2jul n GLU 103 N -4.07 -1.71 -1.77 6.67 -0.58 -0.92 -4.92 120.64 113.34 2jul n GLU 103 Ca -0.02 -1.73 -0.42 0.00 -0.42 0.00 0.00 57.16 54.57 2jul n GLU 103 Cb 0.36 -1.28 -0.03 0.00 -0.57 0.00 0.00 31.44 29.91 2jul n GLU 103 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2jul s PRO 105 N 4.77 4.39 0.00 0.00 0.04 -1.26 -4.64 135.00 138.30 2jul s PRO 105 Ca 0.86 2.08 0.00 0.00 0.04 0.00 0.00 61.00 63.98 2jul s PRO 105 Cb -0.37 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.00 2jul s PRO 105 CO 0.37 -0.23 0.00 -2.37 0.04 0.00 0.00 177.00 174.81 2jul n THR 106 N 2.29 0.00 0.00 1.26 5.66 -1.26 -5.08 114.28 117.16 2jul n THR 106 Ca 0.05 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.05 2jul n THR 106 Cb 0.43 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.21 2jul n THR 106 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2jul n GLY 107 N 0.00 1.73 3.93 1.09 0.00 -1.26 -5.07 105.19 105.61 2jul n GLY 107 Ca 0.00 -0.54 -0.25 0.00 0.00 0.00 0.00 46.02 45.24 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 4.00 0.17 0.99 0.05 -1.26 -4.82 118.68 117.81 2jul s LEU 108 Ca 0.00 0.51 0.03 0.00 0.05 0.00 0.00 54.13 54.72 2jul s LEU 108 Cb 0.00 -3.37 -0.03 0.00 -2.05 0.00 0.00 46.19 40.73 2jul s LEU 108 CO 0.00 -0.29 0.29 0.54 -0.55 0.00 0.00 176.35 176.34 2jul s VAL 109 N -2.30 5.26 0.16 1.48 0.11 -0.34 -4.94 120.40 119.84 2jul s VAL 109 Ca 0.41 -0.76 0.05 0.00 -2.93 0.00 0.00 61.98 58.74 2jul s VAL 109 Cb -0.10 -3.73 -0.04 0.00 -1.53 0.00 0.00 36.38 30.97 2jul s VAL 109 CO 0.36 -0.13 -0.10 -0.62 -3.33 0.00 0.00 175.10 171.27 2jul s ASP 110 N -3.35 1.87 0.32 3.54 2.15 -1.26 -1.15 116.67 118.78 2jul s ASP 110 Ca 0.34 -1.02 0.07 0.00 0.43 0.00 0.00 52.55 52.37 2jul s ASP 110 Cb -0.11 -0.02 0.90 0.00 -0.30 0.00 0.00 42.92 43.39 2jul s ASP 110 CO 0.28 -0.32 1.61 -0.08 -0.17 0.00 0.00 175.17 176.49 2jul h GLU 111 N 2.75 0.10 -0.38 4.34 4.57 -2.00 0.43 114.58 124.38 2jul h GLU 111 Ca -0.37 -0.01 0.07 0.00 -1.18 0.00 0.00 59.36 57.88 2jul h GLU 111 Cb 1.19 -0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 29.70 2jul h GLU 111 CO 0.63 0.07 -0.03 0.22 -1.18 0.00 0.00 179.01 178.72 2jul h ASP 112 N 0.10 -0.22 -0.07 1.04 3.58 -1.96 -1.43 116.42 117.46 2jul h ASP 112 Ca 0.65 0.10 0.02 0.00 0.42 0.00 0.00 57.03 58.22 2jul h ASP 112 Cb 1.45 0.18 -0.02 0.00 1.72 0.00 0.00 39.33 42.66 2jul h ASP 112 CO -0.77 -0.07 -0.07 0.74 -2.88 0.00 0.00 179.24 176.19 2jul h THR 113 N 0.07 0.80 -0.95 2.25 2.02 -0.56 -1.34 112.91 115.21 2jul h THR 113 Ca 0.19 0.00 0.20 0.00 0.77 0.00 0.00 66.41 67.57 2jul h THR 113 Cb 0.27 0.80 -0.08 0.00 -1.74 0.00 0.00 68.15 67.41 2jul h THR 113 CO -0.34 0.00 0.61 -0.26 0.37 0.00 0.00 175.52 175.90 2jul h PHE 114 N -0.08 0.71 -0.38 3.16 -1.00 -0.86 0.34 116.94 118.82 2jul h PHE 114 Ca 0.05 0.02 -0.07 0.00 2.81 0.00 0.00 57.97 60.79 2jul h PHE 114 Cb 0.16 -0.21 -0.01 0.00 3.61 0.00 0.00 35.95 39.49 2jul h PHE 114 CO -0.17 0.17 -0.02 -0.22 -1.61 0.00 0.00 178.31 176.46 2jul h LYS 115 N 0.52 0.68 -0.59 1.51 3.64 -0.23 -2.61 116.57 119.50 2jul h LYS 115 Ca 0.51 -0.23 -0.01 0.00 -1.27 0.00 0.00 60.65 59.65 2jul h LYS 115 Cb 1.11 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.85 2jul h LYS 115 CO -0.24 0.79 0.32 1.25 -2.27 0.00 0.00 179.45 179.30 2jul h LEU 116 N 0.50 0.71 -0.43 5.20 5.85 -0.32 -0.96 115.31 125.87 2jul h LEU 116 Ca 0.11 -0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 2jul h LEU 116 Cb 0.49 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 2jul h LEU 116 CO 0.02 0.58 0.10 0.40 -0.34 0.00 0.00 178.44 179.20 2jul h ILE 117 N 0.81 1.23 0.00 4.05 2.04 -1.10 -1.34 117.51 123.20 2jul h ILE 117 Ca 0.21 -0.81 0.00 0.00 1.00 0.00 0.00 64.86 65.25 2jul h ILE 117 Cb 0.02 0.95 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 2jul h ILE 117 CO -0.03 0.29 0.00 -1.22 0.00 0.00 0.00 178.15 177.18 2jul n TYR 118 N -4.53 0.73 0.08 1.37 4.02 -0.95 -2.38 117.16 115.50 2jul n TYR 118 Ca 0.00 0.25 0.08 0.00 -0.01 0.00 0.00 57.90 58.22 2jul n TYR 118 Cb 0.21 -0.90 -0.02 0.00 -0.02 0.00 0.00 39.34 38.61 2jul n TYR 118 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 2jul h SER 119 N 0.00 0.00 0.48 7.72 0.02 -0.59 -3.34 113.55 117.84 2jul h SER 119 Ca 0.00 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.66 2jul h SER 119 Cb 0.51 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.01 2jul h SER 119 CO 0.00 0.18 -1.71 1.56 -1.14 0.00 0.00 176.83 175.72 2jul h GLN 120 N 0.00 0.02 0.00 3.45 4.20 -1.05 -3.41 115.11 118.32 2jul h GLN 120 Ca -0.05 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.63 2jul h GLN 120 Cb 1.18 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.97 2jul h GLN 120 CO 0.01 0.54 0.00 0.34 -0.67 0.00 0.00 178.83 179.06 2jul n PHE 121 N -3.08 0.00 -1.87 2.96 7.35 -1.00 -4.71 117.46 117.11 2jul n PHE 121 Ca -0.17 0.00 -0.40 0.00 -0.76 0.00 0.00 57.45 56.11 2jul n PHE 121 Cb 1.05 -0.45 0.00 0.00 0.35 0.00 0.00 39.48 40.43 2jul n PHE 121 CO 0.00 0.00 0.00 -0.06 -0.76 0.00 0.00 176.76 175.94 2jul s PHE 122 N -2.36 2.63 0.00 -5.13 0.40 -1.25 -4.96 117.98 107.31 2jul s PHE 122 Ca 0.00 1.25 0.00 0.00 -0.60 0.00 0.00 56.93 57.58 2jul s PHE 122 Cb 0.00 -3.92 0.00 0.00 0.51 0.00 0.00 43.02 39.61 2jul s PHE 122 CO 0.00 -2.74 0.54 -0.35 0.70 0.00 0.00 175.22 173.37 2jul n PRO 123 N 0.29 0.00 -4.39 0.24 -0.04 -1.26 -4.73 135.00 125.10 2jul n PRO 123 Ca 0.02 0.06 -0.33 0.00 -0.04 0.00 0.00 63.50 63.21 2jul n PRO 123 Cb 0.41 -1.04 -0.15 0.00 -0.04 0.00 0.00 33.50 32.67 2jul n PRO 123 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2jul s GLN 124 N -1.17 3.16 0.00 0.54 -0.21 -1.26 -5.01 119.66 115.71 2jul s GLN 124 Ca 0.00 -0.77 0.00 0.00 0.02 0.00 0.00 55.36 54.61 2jul s GLN 124 Cb 0.00 -2.63 0.00 0.00 1.00 0.00 0.00 33.01 31.38 2jul s GLN 124 CO 0.00 -0.06 0.00 0.41 -2.12 0.00 0.00 175.29 173.52 2jul n GLY 125 N 4.26 3.17 2.83 3.09 0.00 -1.26 -3.62 105.19 113.65 2jul n GLY 125 Ca -0.19 -0.43 -0.42 0.00 0.00 0.00 0.00 46.02 44.97 2jul n GLY 125 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2jul n ASP 126 N 0.00 6.87 -3.15 1.61 5.75 -1.26 -4.90 116.55 121.47 2jul n ASP 126 Ca 0.00 -3.55 -0.18 0.00 -0.01 0.00 0.00 54.79 51.05 2jul n ASP 126 Cb 0.00 -1.22 -0.02 0.00 -1.03 0.00 0.00 41.12 38.86 2jul n ASP 126 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jul n ALA 127 N 0.66 3.79 -0.09 2.12 0.00 -1.26 -4.31 120.51 121.42 2jul n ALA 127 Ca 0.36 -1.59 -0.14 0.00 0.00 0.00 0.00 53.44 52.07 2jul n ALA 127 Cb 0.30 -2.91 -0.07 0.00 0.00 0.00 0.00 19.45 16.77 2jul n ALA 127 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2jul n THR 128 N 4.46 1.48 -0.04 0.00 -2.24 -1.26 -3.55 114.28 113.14 2jul n THR 128 Ca 0.35 0.08 -0.08 0.00 -2.27 0.00 0.00 64.05 62.12 2jul n THR 128 Cb 0.11 -2.20 -0.02 0.00 -2.10 0.00 0.00 70.33 66.12 2jul n THR 128 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2jul h THR 129 N -1.00 0.40 -0.58 4.28 1.35 -1.95 0.30 112.91 115.71 2jul h THR 129 Ca -0.20 0.00 0.08 0.00 -0.55 0.00 0.00 66.41 65.74 2jul h THR 129 Cb 0.95 0.40 -0.03 0.00 -1.73 0.00 0.00 68.15 67.73 2jul h THR 129 CO -0.12 0.00 0.39 0.22 -0.25 0.00 0.00 175.52 175.76 2jul h TYR 130 N -0.25 0.50 -0.87 4.73 3.20 -1.88 -1.12 116.97 121.28 2jul h TYR 130 Ca 0.13 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 2jul h TYR 130 Cb 0.45 -0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.52 2jul h TYR 130 CO -0.38 0.25 0.49 0.00 -1.64 0.00 0.00 178.16 176.88 2jul h ALA 131 N 1.69 1.12 0.24 1.82 0.00 -1.00 -0.05 119.26 123.08 2jul h ALA 131 Ca 0.26 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2jul h ALA 131 Cb 0.39 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2jul h ALA 131 CO -0.07 0.61 -0.12 1.25 0.00 0.00 0.00 179.25 180.92 2jul h HIS 132 N 1.21 -0.30 -0.87 0.00 -0.00 -0.59 -1.18 115.15 113.42 2jul h HIS 132 Ca 0.31 -0.01 0.06 0.00 -0.00 0.00 0.00 60.37 60.73 2jul h HIS 132 Cb 0.01 0.10 -0.05 0.00 -0.00 0.00 0.00 27.41 27.46 2jul h HIS 132 CO 0.01 -0.08 0.57 0.74 -0.00 0.00 0.00 177.93 179.16 2jul h PHE 133 N -0.48 1.00 0.36 5.26 0.04 -1.31 -2.11 116.94 119.70 2jul h PHE 133 Ca -0.03 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 2jul h PHE 133 Cb 0.36 -0.33 0.00 0.00 2.20 0.00 0.00 35.95 38.19 2jul h PHE 133 CO -0.02 0.53 -0.18 -0.07 -0.60 0.00 0.00 178.31 177.97 2jul h LEU 134 N 0.99 -0.44 -0.85 1.54 3.38 -0.69 -2.38 115.31 116.87 2jul h LEU 134 Ca 0.37 0.02 0.16 0.00 0.09 0.00 0.00 57.88 58.52 2jul h LEU 134 Cb 0.18 0.12 -0.10 0.00 0.09 0.00 0.00 40.66 40.94 2jul h LEU 134 CO -0.13 -0.31 0.41 0.15 0.09 0.00 0.00 178.44 178.66 2jul h PHE 135 N -0.50 0.72 -0.88 1.13 3.04 -0.65 0.22 116.94 120.02 2jul h PHE 135 Ca -0.05 0.04 0.15 0.00 3.98 0.00 0.00 57.97 62.09 2jul h PHE 135 Cb 0.39 -0.19 -0.10 0.00 2.56 0.00 0.00 35.95 38.62 2jul h PHE 135 CO -0.06 0.12 0.48 -0.97 -2.02 0.00 0.00 178.31 175.86 2jul h ASN 136 N 0.56 0.59 0.32 0.41 -0.00 -0.89 0.40 115.58 116.97 2jul h ASN 136 Ca 0.48 0.09 -0.06 0.00 -0.00 0.00 0.00 56.30 56.81 2jul h ASN 136 Cb 0.73 -0.01 -0.01 0.00 -0.00 0.00 0.00 38.32 39.04 2jul h ASN 136 CO -0.40 0.24 -0.28 0.00 -0.00 0.00 0.00 177.43 177.00 2jul h ALA 137 N 1.57 1.47 -2.63 1.57 0.00 -0.25 -3.35 119.26 117.64 2jul h ALA 137 Ca 0.49 -0.25 -0.77 0.00 0.00 0.00 0.00 54.91 54.37 2jul h ALA 137 Cb 0.69 -0.04 -0.24 0.00 0.00 0.00 0.00 17.79 18.19 2jul h ALA 137 CO -0.36 0.35 0.22 -0.06 0.00 0.00 0.00 179.25 179.40 2jul s PHE 138 N -4.32 3.63 0.10 0.00 0.08 0.14 -4.98 117.98 112.63 2jul s PHE 138 Ca -0.03 -1.85 -0.26 0.00 0.12 0.00 0.00 56.93 54.91 2jul s PHE 138 Cb 0.15 -3.91 0.09 0.00 -0.57 0.00 0.00 43.02 38.78 2jul s PHE 138 CO 0.70 -1.09 1.11 0.16 -0.10 0.00 0.00 175.22 176.00 2jul s ASP 139 N 2.48 -0.06 -0.26 1.36 -4.77 -1.26 -4.86 116.67 109.31 2jul s ASP 139 Ca 0.20 -0.41 -0.13 0.00 -3.30 0.00 0.00 52.55 48.91 2jul s ASP 139 Cb -0.10 0.37 0.09 0.00 -1.09 0.00 0.00 42.92 42.19 2jul s ASP 139 CO -0.08 -0.71 0.63 0.00 0.70 0.00 0.00 175.17 175.70 2jul s ALA 140 N -2.53 -1.74 0.00 2.11 0.00 -1.26 -4.99 121.76 113.35 2jul s ALA 140 Ca 0.18 2.23 0.00 0.00 0.00 0.00 0.00 51.96 54.37 2jul s ALA 140 Cb -0.00 -1.41 0.00 0.00 0.00 0.00 0.00 23.12 21.71 2jul s ALA 140 CO 0.01 -0.48 0.00 -3.47 0.00 0.00 0.00 175.76 171.83 2jul n ASP 141 N 4.57 0.00 0.00 0.00 -0.08 -1.26 -4.40 116.55 115.38 2jul n ASP 141 Ca -0.19 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.09 2jul n ASP 141 Cb 0.56 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.02 2jul n ASP 141 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2jul n GLY 142 N 0.00 2.48 0.00 0.27 0.00 -1.26 -5.08 105.19 101.61 2jul n GLY 142 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2jul n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jul n ASN 143 N 0.00 0.00 0.00 1.61 3.02 -1.26 -4.97 115.26 113.66 2jul n ASN 143 Ca 0.00 -1.00 0.00 0.00 -0.03 0.00 0.00 54.58 53.55 2jul n ASN 143 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2jul n ASN 143 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jul n GLY 144 N 0.00 0.00 2.85 7.41 0.00 -1.26 -4.86 105.19 109.33 2jul n GLY 144 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.80 -0.07 0.48 4.61 0.00 -1.26 -4.42 121.76 120.30 2jul s ALA 145 Ca 0.00 0.39 0.08 0.00 0.00 0.00 0.00 51.96 52.43 2jul s ALA 145 Cb 0.00 -0.28 0.02 0.00 0.00 0.00 0.00 23.12 22.87 2jul s ALA 145 CO 0.00 -0.11 0.54 0.96 0.00 0.00 0.00 175.76 177.15 2jul s ILE 146 N 0.90 2.44 0.25 0.00 -4.36 -0.30 -4.93 121.20 115.20 2jul s ILE 146 Ca -0.07 -1.19 0.05 0.00 -0.26 0.00 0.00 60.65 59.18 2jul s ILE 146 Cb -0.10 -2.63 -0.02 0.00 1.25 0.00 0.00 42.46 40.96 2jul s ILE 146 CO -0.03 0.00 0.19 1.57 0.24 0.00 0.00 174.94 176.91 2jul n HIS 147 N -1.84 -0.48 -0.05 1.37 -0.00 -1.26 -1.19 115.22 111.77 2jul n HIS 147 Ca 0.07 -2.04 -0.10 0.00 0.46 0.00 0.00 57.72 56.11 2jul n HIS 147 Cb 0.61 0.18 0.05 0.00 -0.12 0.00 0.00 29.99 30.71 2jul n HIS 147 CO 0.00 0.00 0.00 0.35 0.46 0.00 0.00 176.34 177.15 2jul h PHE 148 N 1.74 0.86 0.62 1.57 3.57 -1.98 -2.18 116.94 121.13 2jul h PHE 148 Ca -0.18 -0.26 -0.03 0.00 3.53 0.00 0.00 57.97 61.03 2jul h PHE 148 Cb 0.88 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 39.44 2jul h PHE 148 CO 0.00 1.02 -0.37 1.49 -2.23 0.00 0.00 178.31 178.22 2jul h GLU 149 N 0.58 -0.88 -0.69 1.11 4.22 -1.99 0.39 114.58 117.32 2jul h GLU 149 Ca 0.04 0.06 0.10 0.00 0.08 0.00 0.00 59.36 59.64 2jul h GLU 149 Cb 0.97 0.20 -0.04 0.00 0.50 0.00 0.00 28.75 30.38 2jul h GLU 149 CO 0.09 -0.59 0.46 -0.44 -2.18 0.00 0.00 179.01 176.35 2jul h ASP 150 N -0.92 0.49 -0.20 1.04 3.32 -1.98 0.03 116.42 118.21 2jul h ASP 150 Ca -0.08 0.01 -0.12 0.00 0.02 0.00 0.00 57.03 56.86 2jul h ASP 150 Cb 0.73 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.18 2jul h ASP 150 CO 0.09 0.29 -0.27 0.15 -1.72 0.00 0.00 179.24 177.78 2jul h PHE 151 N 0.54 0.77 -0.11 4.55 3.57 -0.95 -2.38 116.94 122.94 2jul h PHE 151 Ca 0.32 -0.18 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 2jul h PHE 151 Cb 0.52 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 39.08 2jul h PHE 151 CO -0.00 0.87 0.04 0.28 -2.23 0.00 0.00 178.31 177.27 2jul h VAL 152 N 0.58 1.18 -0.46 1.41 2.07 0.17 0.46 116.25 121.66 2jul h VAL 152 Ca 0.08 -0.54 0.06 0.00 0.82 0.00 0.00 66.70 67.11 2jul h VAL 152 Cb 0.76 1.33 -0.05 0.00 -1.52 0.00 0.00 31.29 31.80 2jul h VAL 152 CO 0.06 0.16 0.16 0.58 0.02 0.00 0.00 177.57 178.55 2jul h VAL 153 N -0.00 0.85 0.26 2.57 2.07 -1.28 0.70 116.25 121.42 2jul h VAL 153 Ca 0.04 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 2jul h VAL 153 Cb 0.22 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 2jul h VAL 153 CO -0.00 0.06 -0.12 1.23 0.02 0.00 0.00 177.57 178.76 2jul h GLY 154 N 0.33 -0.36 -0.19 2.17 0.00 -1.23 -2.02 103.07 101.77 2jul h GLY 154 Ca 0.22 0.13 0.30 0.00 0.00 0.00 0.00 47.33 47.98 2jul h GLY 154 CO -0.22 -0.13 0.81 -2.00 0.00 0.00 0.00 176.54 174.99 2jul h LEU 155 N -0.63 0.00 -0.32 3.11 7.12 0.34 1.27 115.31 126.20 2jul h LEU 155 Ca -0.04 0.00 -0.20 0.00 0.13 0.00 0.00 57.88 57.78 2jul h LEU 155 Cb 0.45 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.58 2jul h LEU 155 CO 0.06 0.00 -0.80 0.28 -0.13 0.00 0.00 178.44 177.84 2jul h SER 156 N 0.00 0.49 -0.22 1.25 0.02 -0.18 -1.52 113.55 113.40 2jul h SER 156 Ca 0.49 -0.35 -0.06 0.00 -0.84 0.00 0.00 61.79 61.03 2jul h SER 156 Cb 2.10 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 64.49 2jul h SER 156 CO -0.01 1.11 -0.11 0.40 -1.14 0.00 0.00 176.83 177.09 2jul h ILE 157 N 0.26 1.31 0.57 3.27 2.04 0.21 0.18 117.51 125.34 2jul h ILE 157 Ca -0.05 -1.18 -0.03 0.00 1.00 0.00 0.00 64.86 64.61 2jul h ILE 157 Cb 1.40 1.62 0.01 0.00 -0.74 0.00 0.00 36.82 39.11 2jul h ILE 157 CO 0.14 0.36 -0.27 -0.07 0.00 0.00 0.00 178.15 178.31 2jul h LEU 158 N 0.16 -0.64 0.03 1.44 -0.00 -1.22 -3.24 115.31 111.83 2jul h LEU 158 Ca 0.05 -0.04 -0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2jul h LEU 158 Cb 0.60 0.17 -0.00 0.00 -0.00 0.00 0.00 40.66 41.43 2jul h LEU 158 CO 0.03 -0.31 -0.01 0.25 -0.00 0.00 0.00 178.44 178.40 2jul h LEU 159 N -1.00 -0.04 0.00 1.67 6.46 -1.34 -3.44 115.31 117.62 2jul h LEU 159 Ca -0.08 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.68 2jul h LEU 159 Cb 0.65 0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.59 2jul h LEU 159 CO 0.13 -0.02 0.00 -1.14 -0.62 0.00 0.00 178.44 176.78 2jul n ARG 160 N -2.19 0.00 -1.34 1.25 0.63 0.43 -5.07 116.66 110.36 2jul n ARG 160 Ca -0.00 0.00 0.17 0.00 -0.92 0.00 0.00 57.85 57.09 2jul n ARG 160 Cb 0.02 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 32.84 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 3.86 -3.13 3.93 5.14 0.00 -0.06 -4.80 105.19 110.12 2jul n GLY 161 Ca 0.00 -1.09 -0.20 0.00 0.00 0.00 0.00 46.02 44.73 2jul n GLY 161 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jul s THR 162 N -3.91 3.59 0.19 2.61 2.01 -1.26 -4.92 115.64 113.94 2jul s THR 162 Ca 0.00 -1.18 -0.11 0.00 0.31 0.00 0.00 61.69 60.71 2jul s THR 162 Cb 0.00 -3.23 0.11 0.00 0.01 0.00 0.00 72.50 69.39 2jul s THR 162 CO 0.00 -0.13 1.76 0.58 -0.69 0.00 0.00 174.62 176.14 2jul h VAL 163 N 1.02 0.84 -0.09 3.82 2.07 -1.99 0.43 116.25 122.34 2jul h VAL 163 Ca -0.44 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 2jul h VAL 163 Cb 1.26 0.38 -0.00 0.00 -1.52 0.00 0.00 31.29 31.41 2jul h VAL 163 CO 0.55 0.08 0.03 0.45 0.02 0.00 0.00 177.57 178.69 2jul h HIS 164 N 0.42 0.15 0.00 1.57 3.86 -2.00 -1.46 115.15 117.70 2jul h HIS 164 Ca 0.26 -0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.44 2jul h HIS 164 Cb 0.27 -0.04 -0.00 0.00 1.06 0.00 0.00 27.41 28.70 2jul h HIS 164 CO -0.15 0.30 -0.08 0.93 0.86 0.00 0.00 177.93 179.79 2jul h GLU 165 N -0.04 0.00 0.02 2.45 5.08 -1.81 -1.87 114.58 118.42 2jul h GLU 165 Ca 0.03 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2jul h GLU 165 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 2jul h GLU 165 CO -0.00 0.08 -0.01 0.87 -1.00 0.00 0.00 179.01 178.95 2jul h LYS 166 N 0.00 -0.03 -1.00 2.33 1.57 0.36 -1.70 116.57 118.10 2jul h LYS 166 Ca -0.00 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.84 2jul h LYS 166 Cb 0.16 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.41 2jul h LYS 166 CO 0.01 0.44 0.65 -0.07 -0.57 0.00 0.00 179.45 179.91 2jul h LEU 167 N -0.51 1.05 -0.84 2.94 3.38 -0.89 -0.46 115.31 119.97 2jul h LEU 167 Ca -0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 2jul h LEU 167 Cb 0.48 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 2jul h LEU 167 CO 0.01 0.69 0.19 0.50 0.09 0.00 0.00 178.44 179.91 2jul h LYS 168 N 1.20 1.05 -0.56 1.13 1.63 -1.30 -1.66 116.57 118.06 2jul h LYS 168 Ca 0.42 -0.23 -0.05 0.00 -0.85 0.00 0.00 60.65 59.94 2jul h LYS 168 Cb 0.10 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 31.56 2jul h LYS 168 CO -0.15 0.91 0.14 2.35 -3.45 0.00 0.00 179.45 179.25 2jul h TRP 169 N 1.00 0.94 -0.43 1.91 7.01 -0.23 -0.83 115.95 125.32 2jul h TRP 169 Ca 0.22 -0.11 -0.00 0.00 2.11 0.00 0.00 58.89 61.10 2jul h TRP 169 Cb 0.32 -0.27 -0.02 0.00 -2.10 0.00 0.00 29.16 27.09 2jul h TRP 169 CO 0.02 0.81 0.25 0.00 -2.79 0.00 0.00 178.44 176.73 2jul h ALA 170 N 1.02 0.55 -0.63 2.65 0.00 -0.75 0.34 119.26 122.45 2jul h ALA 170 Ca 0.18 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2jul h ALA 170 Cb 0.34 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2jul h ALA 170 CO 0.00 0.06 0.27 0.35 0.00 0.00 0.00 179.25 179.92 2jul h PHE 171 N 0.57 0.94 -0.13 0.00 3.04 -1.09 -1.59 116.94 118.68 2jul h PHE 171 Ca 0.15 -0.06 -0.10 0.00 3.98 0.00 0.00 57.97 61.94 2jul h PHE 171 Cb 0.02 -0.28 -0.01 0.00 2.56 0.00 0.00 35.95 38.23 2jul h PHE 171 CO -0.03 0.73 -0.36 -0.91 -2.02 0.00 0.00 178.31 175.73 2jul h ASN 172 N 0.87 0.29 0.30 0.41 4.21 -0.75 -3.15 115.58 117.76 2jul h ASN 172 Ca 0.21 -0.11 -0.01 0.00 1.21 0.00 0.00 56.30 57.60 2jul h ASN 172 Cb 0.18 -0.08 0.00 0.00 -1.12 0.00 0.00 38.32 37.30 2jul h ASN 172 CO -0.02 0.63 -0.15 0.25 -1.29 0.00 0.00 177.43 176.85 2jul h LEU 173 N 0.24 -0.34 -6.58 1.61 7.12 0.25 -3.30 115.31 114.30 2jul h LEU 173 Ca 0.03 -0.12 -0.62 0.00 0.13 0.00 0.00 57.88 57.30 2jul h LEU 173 Cb 0.75 0.09 0.08 0.00 -0.53 0.00 0.00 40.66 41.04 2jul h LEU 173 CO 0.06 -0.07 2.03 -1.22 -0.13 0.00 0.00 178.44 179.11 2jul n TYR 174 N -5.17 1.31 -3.64 1.25 4.01 -0.65 -4.72 117.16 109.54 2jul n TYR 174 Ca -0.10 -1.43 -0.07 0.00 -0.16 0.00 0.00 57.90 56.14 2jul n TYR 174 Cb 0.24 -1.42 -0.07 0.00 -0.31 0.00 0.00 39.34 37.78 2jul n TYR 174 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2jul s ASP 175 N 5.50 -0.68 -0.21 7.72 1.01 -1.25 -4.92 116.67 123.85 2jul s ASP 175 Ca 0.59 1.14 -0.18 0.00 0.71 0.00 0.00 52.55 54.82 2jul s ASP 175 Cb 0.14 1.24 -0.14 0.00 1.01 0.00 0.00 42.92 45.17 2jul s ASP 175 CO 0.18 -0.19 -0.01 -0.38 0.21 0.00 0.00 175.17 174.98 2jul n ILE 176 N 3.49 1.51 -3.61 0.77 2.08 -1.26 -4.91 119.36 117.43 2jul n ILE 176 Ca -0.17 -0.06 -0.22 0.00 0.56 0.00 0.00 62.75 62.86 2jul n ILE 176 Cb 0.57 -2.08 -0.01 0.00 -0.75 0.00 0.00 39.64 37.37 2jul n ILE 176 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 2jul s ASN 177 N -6.76 6.21 -0.06 4.38 2.20 -1.26 -4.97 114.94 114.68 2jul s ASN 177 Ca -0.29 0.16 0.00 0.00 -0.94 0.00 0.00 52.86 51.80 2jul s ASN 177 Cb 0.07 -1.78 0.05 0.00 -2.00 0.00 0.00 41.25 37.60 2jul s ASN 177 CO 0.50 -0.26 1.67 0.29 -2.94 0.00 0.00 177.10 176.35 2jul n LYS 178 N -1.63 1.15 0.08 3.55 4.76 -1.26 -4.21 118.16 120.60 2jul n LYS 178 Ca -0.05 -0.31 0.10 0.00 -2.87 0.00 0.00 58.31 55.18 2jul n LYS 178 Cb 0.57 -1.12 0.42 0.00 -1.84 0.00 0.00 35.03 33.06 2jul n LYS 178 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 2jul n ASP 179 N 0.92 0.41 0.00 4.39 5.75 -1.26 -4.83 116.55 121.93 2jul n ASP 179 Ca 0.06 0.60 0.00 0.00 -0.01 0.00 0.00 54.79 55.44 2jul n ASP 179 Cb 0.55 -0.69 0.00 0.00 -1.03 0.00 0.00 41.12 39.95 2jul n ASP 179 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jul n GLY 180 N 0.01 0.32 3.32 6.12 0.00 -1.26 -4.95 105.19 108.74 2jul n GLY 180 Ca 0.03 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.11 2.09 0.12 0.00 1.01 0.30 -4.93 121.20 116.68 2jul s ILE 182 Ca 0.21 -2.30 -0.15 0.00 0.00 0.00 0.00 60.65 58.42 2jul s ILE 182 Cb 0.01 -2.21 0.03 0.00 0.01 0.00 0.00 42.46 40.30 2jul s ILE 182 CO 0.05 -0.47 0.36 0.28 0.00 0.00 0.00 174.94 175.16 2jul s THR 183 N -2.75 0.08 0.51 2.92 -1.32 -1.26 0.27 115.64 114.09 2jul s THR 183 Ca 0.27 -0.70 0.22 0.00 -1.21 0.00 0.00 61.69 60.27 2jul s THR 183 Cb -0.02 -1.21 0.37 0.00 -1.51 0.00 0.00 72.50 70.13 2jul s THR 183 CO 0.11 -0.37 2.01 0.07 -2.21 0.00 0.00 174.62 174.23 2jul h LYS 184 N 2.43 0.07 0.83 7.08 2.10 -1.94 -1.86 116.57 125.29 2jul h LYS 184 Ca -0.34 -0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.27 2jul h LYS 184 Cb 1.25 -0.02 0.01 0.00 -0.90 0.00 0.00 32.23 32.57 2jul h LYS 184 CO 0.48 0.05 -0.40 0.93 -2.00 0.00 0.00 179.45 178.51 2jul h GLU 185 N 0.08 -1.08 -0.37 0.07 5.08 -1.98 -0.99 114.58 115.39 2jul h GLU 185 Ca 0.23 0.07 0.11 0.00 -1.00 0.00 0.00 59.36 58.77 2jul h GLU 185 Cb 0.81 0.24 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 2jul h GLU 185 CO -0.02 -0.71 0.33 1.49 -1.00 0.00 0.00 179.01 179.11 2jul h GLU 186 N -1.23 0.00 -0.09 2.33 4.81 -1.84 0.28 114.58 118.84 2jul h GLU 186 Ca -0.11 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 58.97 2jul h GLU 186 Cb 0.86 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.23 2jul h GLU 186 CO 0.19 0.00 -0.58 1.98 -0.73 0.00 0.00 179.01 179.87 2jul h MET 187 N 0.00 0.29 -0.19 1.92 4.05 -0.77 -2.08 114.93 118.15 2jul h MET 187 Ca 0.18 -0.19 -0.03 0.00 -0.28 0.00 0.00 59.70 59.38 2jul h MET 187 Cb 0.84 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.66 2jul h MET 187 CO -0.00 0.78 0.02 1.25 0.23 0.00 0.00 176.91 179.19 2jul h LEU 188 N 0.22 0.31 -1.43 3.39 7.12 0.89 0.56 115.31 126.37 2jul h LEU 188 Ca -0.00 -0.28 -0.05 0.00 0.13 0.00 0.00 57.88 57.68 2jul h LEU 188 Cb 1.08 -0.08 -0.01 0.00 -0.53 0.00 0.00 40.66 41.12 2jul h LEU 188 CO 0.09 0.51 -0.22 0.00 -0.13 0.00 0.00 178.44 178.70 2jul h ALA 189 N 0.80 1.15 0.02 1.25 0.00 -1.48 -0.98 119.26 120.02 2jul h ALA 189 Ca 0.05 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 2jul h ALA 189 Cb 0.35 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.11 2jul h ALA 189 CO 0.01 0.27 -0.45 0.82 0.00 0.00 0.00 179.25 179.89 2jul h ILE 190 N 0.00 1.50 -0.27 0.00 1.08 -0.98 -2.52 117.51 116.32 2jul h ILE 190 Ca -0.00 -2.09 -0.11 0.00 -0.39 0.00 0.00 64.86 62.27 2jul h ILE 190 Cb 0.60 2.78 -0.01 0.00 -3.07 0.00 0.00 36.82 37.11 2jul h ILE 190 CO 0.03 0.59 -0.28 -0.03 -0.69 0.00 0.00 178.15 177.77 2jul h MET 191 N -0.34 0.54 -0.68 2.37 4.05 -0.76 -2.71 114.93 117.40 2jul h MET 191 Ca -0.06 -0.22 -0.06 0.00 -0.28 0.00 0.00 59.70 59.08 2jul h MET 191 Cb 1.21 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 31.96 2jul h MET 191 CO 0.09 0.77 0.19 -0.22 0.23 0.00 0.00 176.91 177.97 2jul h LYS 192 N 0.47 1.07 -0.14 0.39 3.64 -1.23 -2.41 116.57 118.35 2jul h LYS 192 Ca 0.06 -0.24 0.01 0.00 -1.27 0.00 0.00 60.65 59.21 2jul h LYS 192 Cb 0.73 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 2jul h LYS 192 CO 0.06 0.94 0.05 0.77 -2.27 0.00 0.00 179.45 179.00 2jul h SER 193 N 1.00 0.05 -0.31 4.20 0.02 -1.18 0.50 113.55 117.84 2jul h SER 193 Ca 0.22 0.01 0.07 0.00 -0.84 0.00 0.00 61.79 61.25 2jul h SER 193 Cb 0.33 0.01 -0.07 0.00 0.14 0.00 0.00 62.40 62.81 2jul h SER 193 CO -0.00 0.05 -0.15 0.40 -1.14 0.00 0.00 176.83 175.99 2jul h ILE 194 N 0.12 0.53 -0.61 3.27 1.08 -1.25 0.83 117.51 121.49 2jul h ILE 194 Ca 0.06 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.47 2jul h ILE 194 Cb 0.04 0.53 -0.03 0.00 -3.07 0.00 0.00 36.82 34.29 2jul h ILE 194 CO -0.06 0.00 0.13 1.88 -0.69 0.00 0.00 178.15 179.41 2jul h TYR 195 N -0.10 1.00 -0.49 1.37 -1.99 -0.98 -2.50 116.97 113.27 2jul h TYR 195 Ca 0.16 -0.11 -0.06 0.00 2.00 0.00 0.00 58.73 60.72 2jul h TYR 195 Cb 0.35 -0.28 -0.02 0.00 2.00 0.00 0.00 36.73 38.77 2jul h TYR 195 CO -0.36 0.83 0.07 0.22 -0.00 0.00 0.00 178.16 178.93 2jul h ASP 196 N 0.91 0.78 -0.04 3.88 3.58 0.17 -2.43 116.42 123.27 2jul h ASP 196 Ca 0.19 -0.26 -0.00 0.00 0.42 0.00 0.00 57.03 57.38 2jul h ASP 196 Cb 0.35 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 41.19 2jul h ASP 196 CO 0.00 0.85 0.02 -0.03 -2.88 0.00 0.00 179.24 177.20 2jul h MET 197 N 0.69 0.06 -6.29 0.28 4.05 0.93 -3.41 114.93 111.24 2jul h MET 197 Ca 0.15 -0.00 -0.57 0.00 -0.28 0.00 0.00 59.70 58.99 2jul h MET 197 Cb 0.40 -0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.16 2jul h MET 197 CO 0.01 0.05 1.19 1.41 0.23 0.00 0.00 176.91 179.79 2jul s MET 198 N -5.10 3.62 0.58 0.39 -2.45 -0.92 -4.34 119.30 111.08 2jul s MET 198 Ca -0.05 1.58 0.00 0.00 -1.25 0.00 0.00 55.69 55.97 2jul s MET 198 Cb 0.17 -4.10 0.00 0.00 1.25 0.00 0.00 34.83 32.15 2jul s MET 198 CO 0.68 -1.51 0.00 0.41 1.05 0.00 0.00 175.02 175.65 2jul n GLY 199 N 4.97 -0.97 3.78 2.11 0.00 -1.24 -4.86 105.19 108.99 2jul n GLY 199 Ca 0.20 -0.68 -0.22 0.00 0.00 0.00 0.00 46.02 45.32 2jul n GLY 199 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jul s ARG 200 N -1.15 2.68 0.00 1.61 0.52 -1.26 -4.37 118.95 116.98 2jul s ARG 200 Ca 0.00 -1.24 0.00 0.00 -0.52 0.00 0.00 55.73 53.97 2jul s ARG 200 Cb 0.00 -2.41 0.00 0.00 0.52 0.00 0.00 34.95 33.06 2jul s ARG 200 CO 0.00 0.29 0.00 1.58 0.02 0.00 0.00 175.30 177.19 2jul n HIS 201 N -1.15 -0.18 -0.11 -0.53 -0.00 -1.26 -5.09 115.22 106.89 2jul n HIS 201 Ca -0.06 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.12 2jul n HIS 201 Cb 0.59 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.46 2jul n HIS 201 CO 0.00 0.00 0.00 2.41 0.46 0.00 0.00 176.34 179.21 2jul n THR 202 N 0.00 0.00 -3.12 3.57 -1.04 -1.26 -5.10 114.28 107.33 2jul n THR 202 Ca 0.00 0.00 -0.21 0.00 -2.04 0.00 0.00 64.05 61.80 2jul n THR 202 Cb 0.00 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.47 2jul n THR 202 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jul n TYR 203 N 0.00 -0.71 0.20 -1.42 9.36 -1.26 -4.93 117.16 118.40 2jul n TYR 203 Ca 0.00 -3.34 0.07 0.00 3.32 0.00 0.00 57.90 57.95 2jul n TYR 203 Cb 0.00 -0.07 0.34 0.00 -0.63 0.00 0.00 39.34 38.98 2jul n TYR 203 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 2jul h PRO 204 N 3.79 0.00 -5.79 2.98 0.13 -2.06 -3.48 132.00 127.56 2jul h PRO 204 Ca 0.04 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.91 2jul h PRO 204 Cb 0.92 0.00 0.09 0.00 0.13 0.00 0.00 31.00 32.14 2jul h PRO 204 CO 0.44 0.31 -0.67 -0.89 -0.23 0.00 0.00 178.00 176.96 2jul n ILE 205 N -3.40 -7.89 0.00 -3.56 5.41 -1.26 -4.89 119.36 103.77 2jul n ILE 205 Ca 0.00 -0.81 0.00 0.00 1.00 0.00 0.00 62.75 62.95 2jul n ILE 205 Cb 0.51 -5.63 0.00 0.00 -0.71 0.00 0.00 39.64 33.81 2jul n ILE 205 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 2jul n LEU 206 N -3.08 0.00 0.00 1.39 7.94 -1.26 -5.16 117.00 116.83 2jul n LEU 206 Ca -0.08 0.00 0.05 0.00 -1.11 0.00 0.00 56.01 54.87 2jul n LEU 206 Cb 0.58 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.52 2jul n LEU 206 CO 0.60 0.00 -0.07 0.54 -1.11 0.00 0.00 177.39 177.36 2jul n ARG 207 N 0.00 -0.75 0.00 1.96 1.74 -1.26 -4.88 116.66 113.46 2jul n ARG 207 Ca 0.00 0.49 0.00 0.00 -0.77 0.00 0.00 57.85 57.57 2jul n ARG 207 Cb 0.00 -0.92 0.00 0.00 -1.02 0.00 0.00 32.46 30.52 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 -2.14 0.00 -0.91 5.56 4.07 -1.26 -4.87 120.64 121.09 2jul n GLU 208 Ca 0.00 0.00 -0.17 0.00 -0.06 0.00 0.00 57.16 56.94 2jul n GLU 208 Cb 0.17 -0.38 0.03 0.00 -0.06 0.00 0.00 31.44 31.20 2jul n GLU 208 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 2jul n ASP 209 N -0.85 6.43 -4.67 4.31 8.00 -1.26 -4.97 116.55 123.54 2jul n ASP 209 Ca 0.00 -3.05 -0.43 0.00 0.71 0.00 0.00 54.79 52.02 2jul n ASP 209 Cb 0.00 -1.07 -0.01 0.00 -0.02 0.00 0.00 41.12 40.02 2jul n ASP 209 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jul n ALA 210 N 0.42 0.96 0.08 2.24 0.00 -1.26 -4.73 120.51 118.22 2jul n ALA 210 Ca 0.30 0.36 0.00 0.00 0.00 0.00 0.00 53.44 54.10 2jul n ALA 210 Cb 0.58 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.82 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 0.58 0.08 0.10 0.00 -0.04 -1.26 -3.35 135.00 131.11 2jul n PRO 211 Ca 0.06 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.48 2jul n PRO 211 Cb 0.35 -1.27 0.03 0.00 -0.04 0.00 0.00 33.50 32.57 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 1.47 0.00 -0.04 1.53 3.38 -1.96 -3.04 115.31 116.65 2jul h LEU 212 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2jul h LEU 212 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2jul h LEU 212 CO 0.00 0.78 -0.11 -0.33 0.09 0.00 0.00 178.44 178.86 2jul h GLU 213 N 0.00 0.14 0.47 1.13 5.08 -1.93 -1.94 114.58 117.53 2jul h GLU 213 Ca -0.01 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 2jul h GLU 213 Cb 1.43 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.69 2jul h GLU 213 CO 0.10 0.73 -0.33 1.25 -1.00 0.00 0.00 179.01 179.76 2jul h HIS 214 N -0.42 -0.86 -0.58 4.33 2.76 -1.85 0.43 115.15 118.96 2jul h HIS 214 Ca -0.00 -0.00 0.07 0.00 -2.20 0.00 0.00 60.37 58.23 2jul h HIS 214 Cb 0.74 0.32 -0.03 0.00 1.55 0.00 0.00 27.41 29.98 2jul h HIS 214 CO 0.13 -0.49 0.39 0.28 -1.30 0.00 0.00 177.93 176.94 2jul h VAL 215 N -0.77 0.96 -0.23 5.26 2.07 -1.64 0.15 116.25 122.05 2jul h VAL 215 Ca -0.05 -0.17 -0.18 0.00 0.82 0.00 0.00 66.70 67.12 2jul h VAL 215 Cb 0.65 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 30.84 2jul h VAL 215 CO 0.03 0.09 -0.58 -0.08 0.02 0.00 0.00 177.57 177.05 2jul h GLU 216 N 0.50 0.73 -0.38 1.57 4.57 -0.63 -2.66 114.58 118.28 2jul h GLU 216 Ca 0.26 -0.48 -0.15 0.00 -1.18 0.00 0.00 59.36 57.82 2jul h GLU 216 Cb 0.37 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.02 2jul h GLU 216 CO -0.07 1.10 -0.33 0.00 -1.18 0.00 0.00 179.01 178.53 2jul h ARG 217 N 0.55 0.89 -0.79 1.92 2.47 0.13 -1.55 114.38 118.00 2jul h ARG 217 Ca 0.00 -0.45 0.04 0.00 -1.26 0.00 0.00 59.98 58.31 2jul h ARG 217 Cb 1.16 0.01 -0.05 0.00 -1.65 0.00 0.00 29.97 29.44 2jul h ARG 217 CO 0.12 1.10 0.50 0.35 0.56 0.00 0.00 179.97 182.60 2jul h PHE 218 N 0.70 0.93 -0.44 3.04 3.04 -0.72 -0.87 116.94 122.61 2jul h PHE 218 Ca 0.07 0.03 -0.14 0.00 3.98 0.00 0.00 57.97 61.90 2jul h PHE 218 Cb 0.92 -0.30 -0.01 0.00 2.56 0.00 0.00 35.95 39.11 2jul h PHE 218 CO 0.06 0.52 -0.29 0.35 -2.02 0.00 0.00 178.31 176.94 2jul h PHE 219 N 0.96 1.12 -0.92 0.41 3.57 -1.35 0.26 116.94 120.98 2jul h PHE 219 Ca 0.32 -0.30 0.08 0.00 3.53 0.00 0.00 57.97 61.61 2jul h PHE 219 Cb 0.04 -0.25 -0.06 0.00 2.79 0.00 0.00 35.95 38.46 2jul h PHE 219 CO -0.03 1.12 0.59 0.37 -2.23 0.00 0.00 178.31 178.13 2jul h GLN 220 N 0.81 0.95 0.10 1.11 5.75 -0.44 -1.25 115.11 122.14 2jul h GLN 220 Ca 0.09 -0.06 -0.28 0.00 -0.15 0.00 0.00 58.65 58.25 2jul h GLN 220 Cb 0.87 -0.21 0.02 0.00 1.07 0.00 0.00 27.48 29.23 2jul h GLN 220 CO 0.08 0.63 -1.19 -0.22 -2.65 0.00 0.00 178.83 175.47 2jul h LYS 221 N 0.98 0.56 0.00 1.69 1.63 -0.86 -3.43 116.57 117.13 2jul h LYS 221 Ca 0.41 -0.73 0.00 0.00 -0.85 0.00 0.00 60.65 59.48 2jul h LYS 221 Cb 0.31 0.24 0.00 0.00 -0.60 0.00 0.00 32.23 32.18 2jul h LYS 221 CO -0.17 1.32 0.00 -0.12 -3.45 0.00 0.00 179.45 177.03 2jul n MET 222 N -3.76 0.79 0.00 1.90 1.56 0.87 -4.77 117.12 113.71 2jul n MET 222 Ca -0.12 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.31 2jul n MET 222 Cb 0.96 0.00 0.00 0.00 2.15 0.00 0.00 33.22 36.33 2jul n MET 222 CO 0.00 0.00 0.00 -3.47 -0.73 0.00 0.00 175.97 171.77 2jul n ASP 223 N 0.00 0.00 0.00 6.12 2.03 -1.18 -4.63 116.55 118.90 2jul n ASP 223 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2jul n ASP 223 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2jul n ASP 223 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 2jul n ARG 224 N 0.00 0.00 -1.41 -0.67 3.00 -1.26 -4.82 116.66 111.50 2jul n ARG 224 Ca 0.00 0.00 -0.50 0.00 -0.00 0.00 0.00 57.85 57.35 2jul n ARG 224 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 32.46 32.42 2jul n ARG 224 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 2jul n ASN 225 N 0.69 -0.99 0.00 6.15 2.04 -1.26 -4.67 115.26 117.22 2jul n ASN 225 Ca 0.00 1.13 0.00 0.00 -0.44 0.00 0.00 54.58 55.27 2jul n ASN 225 Cb 0.00 -0.93 0.00 0.00 -2.53 0.00 0.00 39.78 36.32 2jul n ASN 225 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2jul n GLN 226 N 1.09 0.00 0.17 -3.83 1.13 -1.26 -0.52 117.38 114.15 2jul n GLN 226 Ca 0.18 0.35 0.02 0.00 -1.94 0.00 0.00 57.00 55.61 2jul n GLN 226 Cb 0.21 -1.60 0.36 0.00 0.11 0.00 0.00 30.24 29.33 2jul n GLN 226 CO 0.00 0.00 0.00 0.38 -1.44 0.00 0.00 177.06 176.00 2jul h ASP 227 N 0.00 0.06 0.00 1.08 2.03 -1.92 -3.46 116.42 114.21 2jul h ASP 227 Ca 0.00 -0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.28 2jul h ASP 227 Cb 0.20 -0.02 0.00 0.00 -0.83 0.00 0.00 39.33 38.68 2jul h ASP 227 CO 0.00 0.39 0.00 0.61 -1.03 0.00 0.00 179.24 179.21 2jul n GLY 228 N -0.55 1.83 3.86 7.15 0.00 0.32 -4.96 105.19 112.84 2jul n GLY 228 Ca -0.02 -0.18 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 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 4.70 -0.04 1.61 -7.23 -1.26 -4.66 120.40 113.51 2jul s VAL 229 Ca 0.00 0.82 -0.06 0.00 -1.81 0.00 0.00 61.98 60.92 2jul s VAL 229 Cb 0.00 -3.74 -0.04 0.00 0.56 0.00 0.00 36.38 33.16 2jul s VAL 229 CO 0.00 -0.62 0.21 0.54 -0.31 0.00 0.00 175.10 174.92 2jul s VAL 230 N -2.50 5.39 0.20 1.32 0.11 0.14 -4.85 120.40 120.22 2jul s VAL 230 Ca 0.54 0.16 0.06 0.00 -2.93 0.00 0.00 61.98 59.81 2jul s VAL 230 Cb -0.10 -3.51 -0.05 0.00 -1.53 0.00 0.00 36.38 31.19 2jul s VAL 230 CO 0.33 0.47 -0.11 0.28 -3.33 0.00 0.00 175.10 172.74 2jul s THR 231 N -1.19 1.51 0.41 5.04 -1.32 -1.26 0.11 115.64 118.94 2jul s THR 231 Ca 0.22 -2.14 0.26 0.00 -1.21 0.00 0.00 61.69 58.82 2jul s THR 231 Cb -0.13 -2.08 0.44 0.00 -1.51 0.00 0.00 72.50 69.22 2jul s THR 231 CO 0.12 -0.56 1.62 0.40 -2.21 0.00 0.00 174.62 173.98 2jul h ILE 232 N 2.57 0.11 0.68 5.08 2.04 -1.98 0.60 117.51 126.61 2jul h ILE 232 Ca -0.38 -0.03 -0.03 0.00 1.00 0.00 0.00 64.86 65.41 2jul h ILE 232 Cb 1.22 0.01 0.01 0.00 -0.74 0.00 0.00 36.82 37.31 2jul h ILE 232 CO 0.63 0.02 -0.33 -0.78 0.00 0.00 0.00 178.15 177.69 2jul h ASP 233 N 0.09 -0.78 -0.00 1.72 1.82 -1.96 0.21 116.42 117.52 2jul h ASP 233 Ca 0.82 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 57.49 2jul h ASP 233 Cb 2.41 0.20 -0.00 0.00 0.68 0.00 0.00 39.33 42.62 2jul h ASP 233 CO -0.52 -0.39 0.00 -0.08 -1.61 0.00 0.00 179.24 176.64 2jul h GLU 234 N -1.25 0.00 0.11 0.28 4.81 -1.27 0.29 114.58 117.55 2jul h GLU 234 Ca -0.09 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 58.99 2jul h GLU 234 Cb 0.71 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.10 2jul h GLU 234 CO 0.15 0.00 -0.67 0.35 -0.73 0.00 0.00 179.01 178.12 2jul h PHE 235 N 0.00 0.43 0.00 0.92 3.04 0.28 -2.39 116.94 119.22 2jul h PHE 235 Ca 0.00 -0.32 -0.15 0.00 3.98 0.00 0.00 57.97 61.48 2jul h PHE 235 Cb 0.00 -0.02 -0.02 0.00 2.56 0.00 0.00 35.95 38.47 2jul h PHE 235 CO 0.00 1.25 -0.71 1.25 -2.02 0.00 0.00 178.31 178.08 2jul h LEU 236 N -0.50 0.00 -0.47 0.59 5.85 0.07 -2.12 115.31 118.73 2jul h LEU 236 Ca -0.12 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.44 2jul h LEU 236 Cb 1.52 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.52 2jul h LEU 236 CO 0.12 0.71 -0.75 -0.33 -0.34 0.00 0.00 178.44 177.85 2jul h GLU 237 N 0.00 0.00 0.04 1.25 5.08 -0.54 -2.73 114.58 117.68 2jul h GLU 237 Ca -0.01 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.24 2jul h GLU 237 Cb 1.29 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.55 2jul h GLU 237 CO 0.09 0.75 -0.47 1.15 -1.00 0.00 0.00 179.01 179.54 2jul h THR 238 N 0.00 1.54 -0.23 1.13 2.02 -1.33 -2.31 112.91 113.73 2jul h THR 238 Ca -0.01 -2.21 0.01 0.00 0.77 0.00 0.00 66.41 64.98 2jul h THR 238 Cb 1.35 2.94 -0.02 0.00 -1.74 0.00 0.00 68.15 70.68 2jul h THR 238 CO 0.10 0.62 0.11 0.00 0.37 0.00 0.00 175.52 176.72 2jul h GLN 240 N 0.24 0.47 -6.73 0.00 1.08 -1.60 -3.21 115.11 105.37 2jul h GLN 240 Ca 0.09 -0.16 -0.51 0.00 -1.45 0.00 0.00 58.65 56.62 2jul h GLN 240 Cb 0.02 -0.04 0.01 0.00 -0.05 0.00 0.00 27.48 27.42 2jul h GLN 240 CO -0.06 0.65 0.47 0.15 -0.95 0.00 0.00 178.83 179.09 2jul s LYS 241 N -4.58 4.63 0.00 1.46 -0.14 -0.87 -3.53 119.74 116.71 2jul s LYS 241 Ca -0.07 1.75 0.00 0.00 -1.36 0.00 0.00 55.97 56.29 2jul s LYS 241 Cb 0.14 -3.24 0.00 0.00 -1.68 0.00 0.00 37.83 33.05 2jul s LYS 241 CO 0.78 0.15 0.00 -0.25 -0.76 0.00 0.00 175.35 175.28 2jul n ASP 242 N 1.83 0.00 -2.16 2.83 8.00 -1.26 -4.48 116.55 121.31 2jul n ASP 242 Ca 0.01 0.00 -0.18 0.00 0.71 0.00 0.00 54.79 55.33 2jul n ASP 242 Cb 0.46 -0.31 0.02 0.00 -0.02 0.00 0.00 41.12 41.26 2jul n ASP 242 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 2jul n GLU 243 N -0.63 -0.88 0.08 -1.24 0.28 -1.21 -4.84 120.64 112.20 2jul n GLU 243 Ca 0.00 0.65 0.00 0.00 -0.16 0.00 0.00 57.16 57.65 2jul n GLU 243 Cb 0.00 -0.91 0.00 0.00 1.43 0.00 0.00 31.44 31.96 2jul n GLU 243 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 2jul n ASN 244 N 0.47 -0.58 -0.02 -1.84 4.05 -1.26 -4.72 115.26 111.36 2jul n ASN 244 Ca -0.04 0.27 -0.16 0.00 0.45 0.00 0.00 54.58 55.10 2jul n ASN 244 Cb 0.32 0.69 -0.09 0.00 1.23 0.00 0.00 39.78 41.93 2jul n ASN 244 CO 0.00 0.00 0.00 -0.29 -3.05 0.00 0.00 177.26 173.92 2jul h ILE 245 N 0.00 1.38 0.00 -1.44 6.09 -1.92 -3.00 117.51 118.61 2jul h ILE 245 Ca 0.00 -1.85 -0.04 0.00 -1.37 0.00 0.00 64.86 61.60 2jul h ILE 245 Cb 0.00 2.25 -0.01 0.00 0.47 0.00 0.00 36.82 39.53 2jul h ILE 245 CO 0.00 0.55 -0.21 0.24 -3.07 0.00 0.00 178.15 175.67 2jul h MET 246 N 0.08 0.00 -0.91 2.19 2.86 -1.91 -2.40 114.93 114.84 2jul h MET 246 Ca -0.04 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.65 2jul h MET 246 Cb 1.16 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.76 2jul h MET 246 CO 0.10 0.21 0.60 -0.97 1.06 0.00 0.00 176.91 177.91 2jul h ASN 247 N 0.00 0.96 -0.18 1.22 -0.00 -1.81 0.15 115.58 115.92 2jul h ASN 247 Ca -0.00 -0.00 -0.19 0.00 -0.00 0.00 0.00 56.30 56.11 2jul h ASN 247 Cb 0.66 -0.21 0.00 0.00 -0.00 0.00 0.00 38.32 38.77 2jul h ASN 247 CO 0.03 0.64 -0.59 -1.28 -0.00 0.00 0.00 177.43 176.23 2jul h SER 248 N 1.11 0.89 -0.83 1.15 0.87 -1.43 -2.81 113.55 112.48 2jul h SER 248 Ca 0.37 -0.50 0.03 0.00 -1.23 0.00 0.00 61.79 60.47 2jul h SER 248 Cb 0.08 -0.26 -0.05 0.00 -0.44 0.00 0.00 62.40 61.74 2jul h SER 248 CO -0.12 1.28 0.55 -0.03 -0.53 0.00 0.00 176.83 177.97 2jul h MET 249 N 0.59 1.02 0.56 2.24 1.85 -0.88 0.42 114.93 120.74 2jul h MET 249 Ca 0.00 -0.06 -0.03 0.00 -0.61 0.00 0.00 59.70 59.00 2jul h MET 249 Cb 1.19 -0.23 0.01 0.00 0.43 0.00 0.00 31.60 33.00 2jul h MET 249 CO 0.13 0.68 -0.27 0.37 -0.40 0.00 0.00 176.91 177.41 2jul h GLN 250 N 1.05 -0.73 -0.01 0.39 4.15 -0.61 0.47 115.11 119.83 2jul h GLN 250 Ca 0.33 0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.76 2jul h GLN 250 Cb -0.00 0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.85 2jul h GLN 250 CO -0.09 -0.44 -0.15 1.25 -1.93 0.00 0.00 178.83 177.47 2jul h LEU 251 N -0.87 0.01 -0.54 -2.39 6.46 -1.23 0.65 115.31 117.40 2jul h LEU 251 Ca -0.08 -0.00 -0.13 0.00 -0.12 0.00 0.00 57.88 57.55 2jul h LEU 251 Cb 0.62 -0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.53 2jul h LEU 251 CO 0.13 0.16 -0.61 0.15 -0.62 0.00 0.00 178.44 177.65 2jul h PHE 252 N 0.01 0.00 0.10 1.25 3.04 0.19 -3.31 116.94 118.23 2jul h PHE 252 Ca 0.00 0.00 -0.34 0.00 3.98 0.00 0.00 57.97 61.61 2jul h PHE 252 Cb 0.27 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.76 2jul h PHE 252 CO 0.00 0.61 -1.86 -1.91 -2.02 0.00 0.00 178.31 173.13 2jul n GLU 253 N -3.54 0.72 -1.08 1.11 4.07 0.16 -4.46 120.64 117.64 2jul n GLU 253 Ca -0.00 0.32 -0.36 0.00 -0.06 0.00 0.00 57.16 57.06 2jul n GLU 253 Cb 0.67 -1.72 -0.04 0.00 -0.06 0.00 0.00 31.44 30.30 2jul n GLU 253 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 2jul n ASN 254 N -3.67 3.65 0.00 4.31 4.13 0.22 -2.90 115.26 121.00 2jul n ASN 254 Ca -0.32 -2.57 0.00 0.00 1.68 0.00 0.00 54.58 53.37 2jul n ASN 254 Cb 0.98 -1.18 0.00 0.00 -1.54 0.00 0.00 39.78 38.04 2jul n ASN 254 CO 0.00 0.00 0.00 0.55 0.28 0.00 0.00 177.26 178.09 2jul n VAL 255 N 5.24 0.00 0.00 2.41 3.14 -1.26 -4.90 118.33 122.96 2jul n VAL 255 Ca 0.49 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.87 2jul n VAL 255 Cb 0.31 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.09 2jul n VAL 255 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37