#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x38 h LYS 110 N 0.00 0.56 -0.47 5.55 1.63 -2.05 -0.80 116.57 120.99 2x38 h LYS 110 Ca 0.00 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.75 2x38 h LYS 110 Cb 0.00 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 31.48 2x38 h LYS 110 CO 0.00 0.37 0.24 -0.22 -3.45 0.00 0.00 179.45 176.39 2x38 h LYS 111 N 0.57 0.67 -0.35 1.90 1.63 -2.06 -1.91 116.57 117.03 2x38 h LYS 111 Ca 0.22 -0.09 -0.01 0.00 -0.85 0.00 0.00 60.65 59.91 2x38 h LYS 111 Cb 0.15 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 31.64 2x38 h LYS 111 CO -0.06 0.55 0.16 1.25 -3.45 0.00 0.00 179.45 177.90 2x38 h LEU 112 N 0.62 0.46 -0.18 5.20 5.85 -1.73 -2.18 115.31 123.35 2x38 h LEU 112 Ca 0.16 -0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.75 2x38 h LEU 112 Cb 0.09 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 2x38 h LEU 112 CO -0.02 0.47 0.11 0.40 -0.34 0.00 0.00 178.44 179.06 2x38 h ILE 113 N 0.42 1.03 -0.51 4.05 2.04 -1.16 0.52 117.51 123.89 2x38 h ILE 113 Ca 0.12 -0.08 0.08 0.00 1.00 0.00 0.00 64.86 65.98 2x38 h ILE 113 Cb 0.14 0.78 -0.06 0.00 -0.74 0.00 0.00 36.82 36.94 2x38 h ILE 113 CO -0.01 0.04 0.16 0.78 0.00 0.00 0.00 178.15 179.12 2x38 h ASN 114 N 0.23 0.13 0.13 1.72 2.35 -1.27 0.29 115.58 119.15 2x38 h ASN 114 Ca 0.07 0.07 -0.12 0.00 -0.55 0.00 0.00 56.30 55.77 2x38 h ASN 114 Cb -0.01 0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 2x38 h ASN 114 CO -0.03 0.10 -0.43 0.77 -1.65 0.00 0.00 177.43 176.18 2x38 h SER 115 N 0.32 0.41 -0.12 5.81 4.64 -0.99 -1.98 113.55 121.63 2x38 h SER 115 Ca 0.25 -0.18 -0.01 0.00 -0.47 0.00 0.00 61.79 61.38 2x38 h SER 115 Cb 0.30 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.27 2x38 h SER 115 CO -0.28 0.79 0.05 1.56 -0.87 0.00 0.00 176.83 178.09 2x38 h GLN 116 N 0.31 0.18 -0.20 4.77 4.20 -0.17 -1.80 115.11 122.41 2x38 h GLN 116 Ca 0.02 -0.03 0.05 0.00 0.06 0.00 0.00 58.65 58.76 2x38 h GLN 116 Cb 0.89 -0.03 -0.06 0.00 0.30 0.00 0.00 27.48 28.59 2x38 h GLN 116 CO 0.07 0.27 -0.16 0.82 -0.67 0.00 0.00 178.83 179.16 2x38 h ILE 117 N 0.05 0.56 -0.74 2.54 2.04 -0.90 0.24 117.51 121.31 2x38 h ILE 117 Ca 0.04 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.03 2x38 h ILE 117 Cb 0.15 0.56 -0.09 0.00 -0.74 0.00 0.00 36.82 36.70 2x38 h ILE 117 CO -0.00 0.00 0.32 0.28 0.00 0.00 0.00 178.15 178.74 2x38 h SER 118 N -0.17 0.33 -0.22 1.72 0.02 -1.26 0.17 113.55 114.15 2x38 h SER 118 Ca 0.12 0.09 -0.07 0.00 -0.84 0.00 0.00 61.79 61.10 2x38 h SER 118 Cb 0.34 0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.93 2x38 h SER 118 CO -0.30 0.15 -0.13 0.25 -1.14 0.00 0.00 176.83 175.66 2x38 h LEU 119 N 0.49 0.49 -0.13 5.07 5.85 -0.88 -2.42 115.31 123.79 2x38 h LEU 119 Ca 0.40 -0.43 0.03 0.00 0.84 0.00 0.00 57.88 58.71 2x38 h LEU 119 Cb 0.55 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 2x38 h LEU 119 CO -0.36 0.81 -0.05 0.25 -0.34 0.00 0.00 178.44 178.75 2x38 h LEU 120 N 0.17 -0.18 -0.18 2.25 5.85 0.89 -2.99 115.31 121.12 2x38 h LEU 120 Ca 0.04 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.81 2x38 h LEU 120 Cb 0.64 0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.78 2x38 h LEU 120 CO 0.04 -0.07 -0.14 2.30 -0.34 0.00 0.00 178.44 180.22 2x38 n ILE 121 N -5.19 0.00 -2.25 4.05 -5.35 0.46 -4.91 119.36 106.17 2x38 n ILE 121 Ca -0.04 -0.05 -0.13 0.00 -0.27 0.00 0.00 62.75 62.26 2x38 n ILE 121 Cb 0.12 -0.10 -0.01 0.00 -1.74 0.00 0.00 39.64 37.91 2x38 n ILE 121 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2x38 n GLY 122 N 1.34 -0.17 3.28 3.28 0.00 -1.01 -4.95 105.19 106.96 2x38 n GLY 122 Ca 0.12 -0.33 -0.10 0.00 0.00 0.00 0.00 46.02 45.71 2x38 n GLY 122 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2x38 s LYS 123 N -4.65 0.38 0.14 1.61 2.20 -0.94 -5.04 119.74 113.44 2x38 s LYS 123 Ca 0.00 0.89 -0.31 0.00 -0.36 0.00 0.00 55.97 56.19 2x38 s LYS 123 Cb 0.00 0.10 -0.09 0.00 -1.51 0.00 0.00 37.83 36.33 2x38 s LYS 123 CO 0.00 -0.19 1.48 0.20 -0.36 0.00 0.00 175.35 176.49 2x38 s GLY 124 N 1.82 1.75 0.50 5.54 0.00 -1.26 -4.30 107.32 111.36 2x38 s GLY 124 Ca -0.07 1.25 0.17 0.00 0.00 0.00 0.00 44.72 46.07 2x38 s GLY 124 CO -0.13 2.50 2.10 1.41 0.00 0.00 0.00 173.10 178.97 2x38 h LEU 125 N 6.81 0.00 -1.73 0.66 3.38 -1.90 -1.83 115.31 120.69 2x38 h LEU 125 Ca -0.42 0.00 0.17 0.00 0.09 0.00 0.00 57.88 57.72 2x38 h LEU 125 Cb 1.21 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.91 2x38 h LEU 125 CO 0.89 0.07 0.50 1.12 0.09 0.00 0.00 178.44 181.11 2x38 h HIS 126 N 0.00 0.31 -0.31 1.13 2.07 -1.98 0.48 115.15 116.85 2x38 h HIS 126 Ca -0.00 0.01 -0.04 0.00 -2.85 0.00 0.00 60.37 57.49 2x38 h HIS 126 Cb 0.13 -0.10 -0.02 0.00 2.57 0.00 0.00 27.41 30.00 2x38 h HIS 126 CO 0.00 0.11 0.04 0.93 -3.07 0.00 0.00 177.93 175.94 2x38 h GLU 127 N 0.26 0.46 -0.26 5.12 5.08 -1.72 -1.21 114.58 122.31 2x38 h GLU 127 Ca 0.36 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.61 2x38 h GLU 127 Cb 1.03 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 2x38 h GLU 127 CO -0.08 0.46 0.07 0.74 -1.00 0.00 0.00 179.01 179.20 2x38 h PHE 128 N 0.45 0.43 -0.69 4.33 0.04 -1.04 -3.17 116.94 117.29 2x38 h PHE 128 Ca 0.10 -0.05 0.05 0.00 2.80 0.00 0.00 57.97 60.87 2x38 h PHE 128 Cb 0.23 -0.12 -0.05 0.00 2.20 0.00 0.00 35.95 38.21 2x38 h PHE 128 CO 0.01 0.48 0.41 -0.44 -0.60 0.00 0.00 178.31 178.17 2x38 h ASP 129 N 0.26 0.64 0.49 2.17 3.32 -1.30 -3.02 116.42 118.98 2x38 h ASP 129 Ca 0.08 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 2x38 h ASP 129 Cb 0.26 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.70 2x38 h ASP 129 CO -0.00 0.43 -0.04 0.28 -1.72 0.00 0.00 179.24 178.19 2x38 h SER 130 N 0.78 0.00 0.81 6.45 0.02 -1.21 -1.61 113.55 118.78 2x38 h SER 130 Ca 0.30 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.24 2x38 h SER 130 Cb 0.12 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.66 2x38 h SER 130 CO -0.15 0.04 -0.04 -0.07 -1.14 0.00 0.00 176.83 175.46 2x38 h LEU 131 N 0.00 0.00 -2.09 5.07 3.38 -1.57 -3.47 115.31 116.64 2x38 h LEU 131 Ca -0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 2x38 h LEU 131 Cb 0.29 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.89 2x38 h LEU 131 CO 0.00 0.04 -0.94 0.54 0.09 0.00 0.00 178.44 178.17 2x38 n ARG 132 N -3.18 -1.67 -3.71 1.13 1.74 -0.61 -4.92 116.66 105.44 2x38 n ARG 132 Ca -0.00 0.19 -0.38 0.00 -0.77 0.00 0.00 57.85 56.89 2x38 n ARG 132 Cb 0.28 -3.86 -0.12 0.00 -1.02 0.00 0.00 32.46 27.75 2x38 n ARG 132 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2x38 s ASP 133 N -4.36 5.33 0.22 0.55 -1.08 -1.26 -4.99 116.67 111.07 2x38 s ASP 133 Ca 0.02 -0.50 -0.08 0.00 -0.52 0.00 0.00 52.55 51.47 2x38 s ASP 133 Cb -0.01 -1.95 0.31 0.00 -1.46 0.00 0.00 42.92 39.81 2x38 s ASP 133 CO 0.96 -0.15 1.77 -0.65 0.52 0.00 0.00 175.17 177.62 2x38 h PRO 134 N 8.29 0.54 -0.36 4.34 0.11 -1.99 -1.44 132.00 141.49 2x38 h PRO 134 Ca -0.33 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.75 2x38 h PRO 134 Cb 1.15 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 2x38 h PRO 134 CO 0.60 0.36 0.22 1.49 -0.21 0.00 0.00 178.00 180.46 2x38 h GLU 135 N 0.56 0.44 -0.35 1.05 4.81 -1.99 0.13 114.58 119.23 2x38 h GLU 135 Ca 0.33 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.53 2x38 h GLU 135 Cb 0.34 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 2x38 h GLU 135 CO -0.26 0.29 0.21 0.28 -0.73 0.00 0.00 179.01 178.79 2x38 h VAL 136 N 0.45 1.13 -0.52 0.32 2.07 -1.89 0.14 116.25 117.96 2x38 h VAL 136 Ca 0.14 -0.30 0.01 0.00 0.82 0.00 0.00 66.70 67.37 2x38 h VAL 136 Cb -0.02 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 2x38 h VAL 136 CO -0.05 0.13 0.33 0.78 0.02 0.00 0.00 177.57 178.77 2x38 h ASN 137 N 0.45 0.56 -0.23 0.57 2.35 -0.97 0.15 115.58 118.46 2x38 h ASN 137 Ca 0.13 -0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.83 2x38 h ASN 137 Cb 0.02 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 2x38 h ASN 137 CO -0.02 0.40 -0.01 0.44 -1.65 0.00 0.00 177.43 176.59 2x38 h ASP 138 N 0.67 0.40 -0.60 5.81 3.32 -0.52 -1.98 116.42 123.52 2x38 h ASP 138 Ca 0.20 -0.32 0.12 0.00 0.02 0.00 0.00 57.03 57.05 2x38 h ASP 138 Cb -0.04 -0.11 -0.10 0.00 0.22 0.00 0.00 39.33 39.30 2x38 h ASP 138 CO -0.06 0.63 0.03 0.15 -1.72 0.00 0.00 179.24 178.26 2x38 h PHE 139 N 0.17 0.01 -0.34 4.55 3.57 -0.27 -2.22 116.94 122.40 2x38 h PHE 139 Ca 0.06 0.04 -0.16 0.00 3.53 0.00 0.00 57.97 61.45 2x38 h PHE 139 Cb 0.43 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 2x38 h PHE 139 CO 0.04 -0.13 -0.41 0.00 -2.23 0.00 0.00 178.31 175.57 2x38 h ARG 140 N 0.14 0.84 0.04 1.11 3.08 -0.52 -2.06 114.38 117.02 2x38 h ARG 140 Ca 0.31 -0.45 -0.25 0.00 0.07 0.00 0.00 59.98 59.66 2x38 h ARG 140 Cb 0.50 0.02 0.02 0.00 0.08 0.00 0.00 29.97 30.59 2x38 h ARG 140 CO -0.49 1.09 -1.00 1.79 -1.07 0.00 0.00 179.97 180.30 2x38 h THR 141 N 0.68 1.32 -0.33 2.04 1.35 -1.16 -1.76 112.91 115.06 2x38 h THR 141 Ca 0.05 -2.29 -0.07 0.00 -0.55 0.00 0.00 66.41 63.55 2x38 h THR 141 Cb 0.99 2.57 -0.01 0.00 -1.73 0.00 0.00 68.15 69.97 2x38 h THR 141 CO 0.10 0.69 -0.06 0.50 -0.25 0.00 0.00 175.52 176.49 2x38 h LYS 142 N 0.21 0.62 0.00 4.72 1.63 -1.48 -2.21 116.57 120.06 2x38 h LYS 142 Ca -0.14 -0.23 -0.05 0.00 -0.85 0.00 0.00 60.65 59.39 2x38 h LYS 142 Cb 1.68 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 33.26 2x38 h LYS 142 CO 0.19 0.79 -0.22 0.52 -3.45 0.00 0.00 179.45 177.28 2x38 h MET 143 N 0.40 0.00 -0.29 1.90 2.86 -1.45 -1.54 114.93 116.80 2x38 h MET 143 Ca 0.08 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.65 2x38 h MET 143 Cb 0.55 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.20 2x38 h MET 143 CO 0.03 0.22 -0.10 -0.09 1.06 0.00 0.00 176.91 178.03 2x38 h ARG 144 N 0.00 0.58 0.09 1.72 2.43 -1.24 -2.34 114.38 115.62 2x38 h ARG 144 Ca -0.00 -0.24 0.01 0.00 -0.81 0.00 0.00 59.98 58.94 2x38 h ARG 144 Cb 0.94 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.45 2x38 h ARG 144 CO 0.03 0.79 -0.11 0.37 -1.51 0.00 0.00 179.97 179.54 2x38 h GLN 145 N 0.34 -0.23 -0.36 0.20 4.15 -0.88 0.29 115.11 118.63 2x38 h GLN 145 Ca 0.07 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.51 2x38 h GLN 145 Cb 0.60 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.32 2x38 h GLN 145 CO 0.03 -0.15 0.24 0.35 -1.93 0.00 0.00 178.83 177.37 2x38 h PHE 146 N -0.23 0.46 -0.57 3.99 3.57 -1.38 -2.01 116.94 120.77 2x38 h PHE 146 Ca 0.01 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.44 2x38 h PHE 146 Cb 0.23 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 2x38 h PHE 146 CO -0.13 0.29 0.03 0.00 -2.23 0.00 0.00 178.31 176.28 2x38 h GLU 148 N 0.87 1.05 -0.12 0.00 5.08 -0.83 -1.74 114.58 118.88 2x38 h GLU 148 Ca 0.17 -0.08 -0.11 0.00 -1.00 0.00 0.00 59.36 58.33 2x38 h GLU 148 Cb 0.50 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 2x38 h GLU 148 CO 0.02 0.72 -0.42 0.93 -1.00 0.00 0.00 179.01 179.26 2x38 h GLU 149 N 1.07 0.27 -0.45 2.33 5.08 -1.02 -1.24 114.58 120.61 2x38 h GLU 149 Ca 0.28 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.48 2x38 h GLU 149 Cb -0.07 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 2x38 h GLU 149 CO -0.06 0.65 0.18 0.00 -1.00 0.00 0.00 179.01 178.78 2x38 h ALA 150 N 1.34 0.59 -0.73 3.43 0.00 -1.00 -1.62 119.26 121.28 2x38 h ALA 150 Ca 0.02 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 2x38 h ALA 150 Cb 0.84 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 2x38 h ALA 150 CO 0.07 0.20 0.46 0.00 0.00 0.00 0.00 179.25 179.97 2x38 h ALA 151 N 1.02 0.93 0.33 0.00 0.00 -0.99 -1.99 119.26 118.57 2x38 h ALA 151 Ca 0.15 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2x38 h ALA 151 Cb 0.20 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2x38 h ALA 151 CO -0.01 0.39 -0.25 0.00 0.00 0.00 0.00 179.25 179.37 2x38 h ALA 152 N 1.24 -0.58 -0.95 0.00 0.00 -1.03 -2.03 119.26 115.91 2x38 h ALA 152 Ca 0.26 -0.10 0.24 0.00 0.00 0.00 0.00 54.91 55.31 2x38 h ALA 152 Cb -0.06 0.34 -0.13 0.00 0.00 0.00 0.00 17.79 17.94 2x38 h ALA 152 CO -0.05 -0.85 0.50 1.25 0.00 0.00 0.00 179.25 180.10 2x38 h HIS 153 N -0.59 0.84 -0.20 0.00 6.17 -1.06 -2.50 115.15 117.81 2x38 h HIS 153 Ca -0.03 0.04 -0.13 0.00 0.71 0.00 0.00 60.37 60.96 2x38 h HIS 153 Cb 0.51 -0.22 -0.01 0.00 2.52 0.00 0.00 27.41 30.21 2x38 h HIS 153 CO -0.13 -0.01 -0.42 -0.09 0.71 0.00 0.00 177.93 177.99 2x38 h ARG 154 N 0.47 0.48 -0.00 5.26 2.43 -0.64 -3.19 114.38 119.20 2x38 h ARG 154 Ca 0.61 -0.25 0.00 0.00 -0.81 0.00 0.00 59.98 59.54 2x38 h ARG 154 Cb 1.19 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 2x38 h ARG 154 CO -0.51 0.82 -0.02 1.04 -1.51 0.00 0.00 179.97 179.79 2x38 n GLN 155 N -4.02 0.86 -0.01 0.20 1.13 -0.94 -2.33 117.38 112.27 2x38 n GLN 155 Ca -0.02 -0.13 0.02 0.00 -1.94 0.00 0.00 57.00 54.93 2x38 n GLN 155 Cb 0.52 -1.50 0.03 0.00 0.11 0.00 0.00 30.24 29.39 2x38 n GLN 155 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2x38 n GLN 156 N -0.96 0.31 -1.53 -1.09 10.64 -1.21 -4.89 117.38 118.66 2x38 n GLN 156 Ca 0.19 -0.96 -0.39 0.00 -1.83 0.00 0.00 57.00 54.02 2x38 n GLN 156 Cb 0.19 -1.08 0.03 0.00 -0.86 0.00 0.00 30.24 28.52 2x38 n GLN 156 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 2x38 n LEU 157 N 0.15 1.71 -4.66 2.61 4.77 -0.98 -4.99 117.00 115.61 2x38 n LEU 157 Ca 0.03 0.84 -0.30 0.00 -0.03 0.00 0.00 56.01 56.55 2x38 n LEU 157 Cb 0.15 -1.25 0.17 0.00 -2.33 0.00 0.00 43.42 40.16 2x38 n LEU 157 CO 0.03 -2.42 0.64 -0.83 -1.33 0.00 0.00 177.39 173.47 2x38 s GLY 158 N -1.07 1.62 0.23 -0.72 0.00 -1.26 -4.72 107.32 101.41 2x38 s GLY 158 Ca 0.68 0.09 -0.05 0.00 0.00 0.00 0.00 44.72 45.45 2x38 s GLY 158 CO 0.54 0.61 1.73 0.11 0.00 0.00 0.00 173.10 176.09 2x38 h TRP 159 N -1.84 0.99 -0.52 1.90 5.08 -1.94 0.36 115.95 119.98 2x38 h TRP 159 Ca -0.50 -0.14 -0.12 0.00 1.08 0.00 0.00 58.89 59.21 2x38 h TRP 159 Cb 1.29 -0.27 -0.02 0.00 -3.00 0.00 0.00 29.16 27.16 2x38 h TRP 159 CO 0.42 0.87 -0.13 0.28 -1.28 0.00 0.00 178.44 178.59 2x38 h VAL 160 N 0.87 1.27 -0.76 0.12 2.07 -1.98 -1.88 116.25 115.97 2x38 h VAL 160 Ca 0.17 -1.29 -0.05 0.00 0.82 0.00 0.00 66.70 66.35 2x38 h VAL 160 Cb 0.44 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 2x38 h VAL 160 CO 0.02 0.45 0.27 -0.33 0.02 0.00 0.00 177.57 178.00 2x38 h GLU 161 N 0.89 1.15 -0.30 1.57 5.08 -1.81 -1.00 114.58 120.16 2x38 h GLU 161 Ca 0.13 -0.23 0.06 0.00 -1.00 0.00 0.00 59.36 58.33 2x38 h GLU 161 Cb 0.70 -0.18 -0.06 0.00 0.50 0.00 0.00 28.75 29.71 2x38 h GLU 161 CO 0.05 0.95 -0.10 2.35 -1.00 0.00 0.00 179.01 181.27 2x38 h TRP 162 N 1.11 -0.22 -0.72 4.33 2.91 -0.01 -0.22 115.95 123.14 2x38 h TRP 162 Ca 0.25 0.03 0.01 0.00 1.13 0.00 0.00 58.89 60.31 2x38 h TRP 162 Cb 0.26 0.14 -0.04 0.00 -0.51 0.00 0.00 29.16 29.01 2x38 h TRP 162 CO 0.02 -0.16 0.47 -0.07 -1.03 0.00 0.00 178.44 177.67 2x38 h LEU 163 N -0.03 0.80 -1.14 0.65 3.38 -0.96 0.01 115.31 118.01 2x38 h LEU 163 Ca 0.15 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.15 2x38 h LEU 163 Cb 0.26 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.76 2x38 h LEU 163 CO -0.33 0.57 0.59 1.56 0.09 0.00 0.00 178.44 180.92 2x38 h GLN 164 N 0.94 1.04 -0.04 1.13 4.20 -0.57 0.76 115.11 122.58 2x38 h GLN 164 Ca 0.27 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.90 2x38 h GLN 164 Cb -0.07 -0.24 -0.00 0.00 0.30 0.00 0.00 27.48 27.47 2x38 h GLN 164 CO -0.07 0.69 -0.03 -0.92 -0.67 0.00 0.00 178.83 177.83 2x38 h TYR 165 N 1.07 0.10 0.10 2.96 3.20 -0.00 -3.28 116.97 121.12 2x38 h TYR 165 Ca 0.37 -0.03 -0.35 0.00 3.14 0.00 0.00 58.73 61.87 2x38 h TYR 165 Cb 0.11 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.33 2x38 h TYR 165 CO -0.00 0.50 -1.94 0.45 -1.64 0.00 0.00 178.16 175.53 2x38 n SER 166 N -4.81 1.84 -3.27 -2.11 2.88 -0.11 -0.92 113.62 107.12 2x38 n SER 166 Ca -0.08 0.25 -0.26 0.00 -1.33 0.00 0.00 58.87 57.46 2x38 n SER 166 Cb 0.25 -0.68 -0.07 0.00 -0.75 0.00 0.00 64.21 62.97 2x38 n SER 166 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 2x38 n PHE 167 N -3.38 2.51 -1.70 0.66 3.72 0.26 -4.64 117.46 114.89 2x38 n PHE 167 Ca -0.29 -3.97 -0.39 0.00 -0.05 0.00 0.00 57.45 52.75 2x38 n PHE 167 Cb 1.05 -0.49 0.03 0.00 -0.94 0.00 0.00 39.48 39.13 2x38 n PHE 167 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 2x38 n PRO 168 N 0.77 1.59 -1.75 -1.08 -0.02 -1.24 -4.57 135.00 128.70 2x38 n PRO 168 Ca 0.28 0.58 -0.42 0.00 -2.02 0.00 0.00 63.50 61.92 2x38 n PRO 168 Cb 0.45 -2.41 -0.01 0.00 -0.02 0.00 0.00 33.50 31.52 2x38 n PRO 168 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2x38 n LEU 169 N -0.52 4.35 -4.22 2.45 4.77 -1.26 -4.88 117.00 117.69 2x38 n LEU 169 Ca 0.10 1.21 -0.42 0.00 -0.03 0.00 0.00 56.01 56.87 2x38 n LEU 169 Cb 0.43 -1.58 -0.07 0.00 -2.33 0.00 0.00 43.42 39.88 2x38 n LEU 169 CO 0.54 -0.02 0.14 -1.10 -1.33 0.00 0.00 177.39 175.63 2x38 s GLN 170 N -1.72 2.87 0.15 3.23 -0.21 -1.26 -5.06 119.66 117.66 2x38 s GLN 170 Ca 0.56 -2.21 0.05 0.00 0.02 0.00 0.00 55.36 53.78 2x38 s GLN 170 Cb -0.51 -4.04 -0.04 0.00 1.00 0.00 0.00 33.01 29.42 2x38 s GLN 170 CO 0.60 -1.23 0.09 -0.51 -2.12 0.00 0.00 175.29 172.13 2x38 s LEU 171 N 0.57 3.67 0.45 2.90 1.43 -1.26 -0.05 118.68 126.38 2x38 s LEU 171 Ca 0.13 -0.18 -0.23 0.00 -1.03 0.00 0.00 54.13 52.82 2x38 s LEU 171 Cb -0.20 -2.31 -0.08 0.00 0.03 0.00 0.00 46.19 43.64 2x38 s LEU 171 CO -0.04 0.09 1.11 -1.61 0.23 0.00 0.00 176.35 176.13 2x38 s GLU 172 N -2.92 3.88 0.00 1.70 0.41 0.12 -4.63 118.70 117.26 2x38 s GLU 172 Ca 0.30 1.63 0.01 0.00 -0.41 0.00 0.00 54.97 56.49 2x38 s GLU 172 Cb -0.10 -2.40 0.04 0.00 -1.78 0.00 0.00 34.13 29.89 2x38 s GLU 172 CO 0.22 -0.41 0.45 -2.30 -0.49 0.00 0.00 175.26 172.73 2x38 n PRO 173 N -0.44 0.02 0.00 0.39 -0.02 -1.26 -5.00 135.00 128.69 2x38 n PRO 173 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 2x38 n PRO 173 Cb 0.49 -1.42 0.00 0.00 -0.02 0.00 0.00 33.50 32.56 2x38 n PRO 173 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2x38 n ASN 187 N -0.92 0.00 -4.37 2.55 5.15 -1.26 -4.79 115.26 111.62 2x38 n ASN 187 Ca 0.00 0.00 -0.36 0.00 -0.60 0.00 0.00 54.58 53.63 2x38 n ASN 187 Cb 0.00 0.00 -0.13 0.00 -0.53 0.00 0.00 39.78 39.12 2x38 n ASN 187 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 2x38 s ARG 188 N 0.00 3.50 0.23 1.20 3.00 -1.26 -4.99 118.95 120.63 2x38 s ARG 188 Ca 0.00 -0.56 -0.30 0.00 -1.00 0.00 0.00 55.73 53.87 2x38 s ARG 188 Cb 0.00 -3.14 -0.10 0.00 0.00 0.00 0.00 34.95 31.72 2x38 s ARG 188 CO 0.00 -0.18 1.41 0.00 0.00 0.00 0.00 175.30 176.53 2x38 s ALA 189 N 1.51 3.61 0.02 6.12 0.00 -1.26 -1.33 121.76 130.43 2x38 s ALA 189 Ca 0.06 1.26 -0.05 0.00 0.00 0.00 0.00 51.96 53.23 2x38 s ALA 189 Cb -0.15 -3.54 -0.01 0.00 0.00 0.00 0.00 23.12 19.43 2x38 s ALA 189 CO -0.00 -0.68 0.08 -0.48 0.00 0.00 0.00 175.76 174.67 2x38 s LEU 190 N -0.18 1.83 -0.11 0.00 2.34 0.37 -4.92 118.68 118.02 2x38 s LEU 190 Ca 0.59 -0.43 -0.10 0.00 0.06 0.00 0.00 54.13 54.25 2x38 s LEU 190 Cb -0.40 0.51 -0.05 0.00 -0.56 0.00 0.00 46.19 45.69 2x38 s LEU 190 CO 0.41 -0.42 0.22 -0.76 -1.06 0.00 0.00 176.35 174.73 2x38 s LEU 191 N -1.77 4.37 -0.04 1.48 1.43 -1.26 -1.28 118.68 121.62 2x38 s LEU 191 Ca -0.10 0.56 -0.01 0.00 -1.03 0.00 0.00 54.13 53.55 2x38 s LEU 191 Cb -0.05 -2.22 0.03 0.00 0.03 0.00 0.00 46.19 43.98 2x38 s LEU 191 CO -0.02 0.33 0.03 -0.69 0.23 0.00 0.00 176.35 176.23 2x38 s VAL 192 N -0.72 0.07 -0.08 -1.59 1.01 -0.99 -3.71 120.40 114.39 2x38 s VAL 192 Ca 0.16 0.23 -0.26 0.00 0.00 0.00 0.00 61.98 62.12 2x38 s VAL 192 Cb -0.13 -0.24 -0.03 0.00 0.00 0.00 0.00 36.38 35.99 2x38 s VAL 192 CO 0.05 0.16 0.82 0.21 0.00 0.00 0.00 175.10 176.35 2x38 s ASN 193 N 1.57 7.09 -0.03 3.32 3.84 0.58 -1.29 114.94 130.02 2x38 s ASN 193 Ca -0.02 1.32 0.04 0.00 0.21 0.00 0.00 52.86 54.40 2x38 s ASN 193 Cb -0.13 -2.47 -0.00 0.00 -0.55 0.00 0.00 41.25 38.10 2x38 s ASN 193 CO -0.03 -0.25 -0.14 -0.69 -2.79 0.00 0.00 177.10 173.20 2x38 s VAL 194 N 1.31 1.13 0.26 -5.21 1.01 0.43 -0.33 120.40 119.00 2x38 s VAL 194 Ca 0.42 -0.57 0.02 0.00 0.00 0.00 0.00 61.98 61.85 2x38 s VAL 194 Cb -0.18 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 2x38 s VAL 194 CO 0.19 0.33 0.15 -1.59 0.00 0.00 0.00 175.10 174.18 2x38 s LYS 195 N -0.00 1.43 0.17 2.72 -2.85 -0.50 -1.34 119.74 119.37 2x38 s LYS 195 Ca -0.01 -1.79 0.07 0.00 -1.00 0.00 0.00 55.97 53.24 2x38 s LYS 195 Cb -0.09 0.04 -0.04 0.00 -2.06 0.00 0.00 37.83 35.68 2x38 s LYS 195 CO 0.01 -0.42 0.02 -0.06 0.10 0.00 0.00 175.35 175.00 2x38 s PHE 196 N -3.82 2.88 0.19 1.78 0.08 -1.26 0.29 117.98 118.12 2x38 s PHE 196 Ca 0.38 -0.12 -0.18 0.00 0.12 0.00 0.00 56.93 57.13 2x38 s PHE 196 Cb 0.06 -1.39 0.15 0.00 -0.57 0.00 0.00 43.02 41.27 2x38 s PHE 196 CO 0.16 0.52 1.61 1.49 -0.10 0.00 0.00 175.22 178.90 2x38 h GLU 197 N 2.65 -0.11 -0.65 0.44 4.81 -1.90 -3.08 114.58 116.74 2x38 h GLU 197 Ca -0.47 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 2x38 h GLU 197 Cb 1.20 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.61 2x38 h GLU 197 CO 0.59 -0.07 0.00 0.41 -0.73 0.00 0.00 179.01 179.21 2x38 n GLY 198 N -1.42 2.38 3.23 1.92 0.00 -1.26 -4.93 105.19 105.11 2x38 n GLY 198 Ca 0.05 -0.68 -0.13 0.00 0.00 0.00 0.00 46.02 45.25 2x38 n GLY 198 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2x38 s SER 199 N -0.70 -0.22 0.00 1.61 0.15 -1.17 -5.06 113.70 108.31 2x38 s SER 199 Ca 0.41 0.20 0.26 0.00 0.70 0.00 0.00 55.95 57.52 2x38 s SER 199 Cb 0.29 0.39 0.74 0.00 -1.71 0.00 0.00 66.02 65.73 2x38 s SER 199 CO 0.16 -0.37 1.56 -0.62 1.20 0.00 0.00 173.24 175.16 2x38 n GLU 200 N 1.63 0.84 -2.45 5.44 4.71 -1.26 -4.35 120.64 125.20 2x38 n GLU 200 Ca -0.20 -0.50 -0.41 0.00 -0.01 0.00 0.00 57.16 56.04 2x38 n GLU 200 Cb 0.56 -1.49 -0.04 0.00 -1.01 0.00 0.00 31.44 29.47 2x38 n GLU 200 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 2x38 s GLU 201 N -2.50 4.52 0.25 3.49 2.02 -1.26 -5.03 118.70 120.19 2x38 s GLU 201 Ca 0.24 1.78 0.01 0.00 0.02 0.00 0.00 54.97 57.02 2x38 s GLU 201 Cb 0.19 -3.28 -0.04 0.00 0.10 0.00 0.00 34.13 31.10 2x38 s GLU 201 CO 0.52 -0.05 0.12 -1.54 0.02 0.00 0.00 175.26 174.33 2x38 s SER 202 N 0.23 0.89 -0.01 -0.19 1.04 -1.26 -4.37 113.70 110.02 2x38 s SER 202 Ca 0.52 -1.42 0.02 0.00 0.48 0.00 0.00 55.95 55.55 2x38 s SER 202 Cb -0.30 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.11 2x38 s SER 202 CO 0.34 -0.80 -0.05 -0.36 0.98 0.00 0.00 173.24 173.35 2x38 s PHE 203 N -3.87 0.54 -0.37 5.02 0.08 -0.45 -4.97 117.98 113.97 2x38 s PHE 203 Ca 0.38 -0.11 -0.16 0.00 0.12 0.00 0.00 56.93 57.16 2x38 s PHE 203 Cb 0.07 -0.40 0.00 0.00 -0.57 0.00 0.00 43.02 42.12 2x38 s PHE 203 CO 0.14 -0.05 0.38 0.99 -0.10 0.00 0.00 175.22 176.58 2x38 s THR 204 N 0.13 5.15 0.42 0.64 2.01 -1.26 -0.43 115.64 122.30 2x38 s THR 204 Ca -0.01 -0.14 0.00 0.00 0.31 0.00 0.00 61.69 61.85 2x38 s THR 204 Cb -0.05 -3.90 -0.01 0.00 0.01 0.00 0.00 72.50 68.54 2x38 s THR 204 CO -0.00 -0.21 0.63 -0.36 -0.69 0.00 0.00 174.62 173.98 2x38 s PHE 205 N 2.03 3.31 -0.18 4.92 0.08 -0.41 -4.91 117.98 122.81 2x38 s PHE 205 Ca 0.11 0.27 -0.06 0.00 0.12 0.00 0.00 56.93 57.37 2x38 s PHE 205 Cb -0.17 -2.17 -0.03 0.00 -0.57 0.00 0.00 43.02 40.07 2x38 s PHE 205 CO 0.12 -0.20 0.03 -1.14 -0.10 0.00 0.00 175.22 173.93 2x38 s GLN 206 N -4.47 3.84 0.34 0.44 0.74 -1.26 -2.36 119.66 116.92 2x38 s GLN 206 Ca 0.46 -0.42 0.05 0.00 0.05 0.00 0.00 55.36 55.50 2x38 s GLN 206 Cb -0.10 -3.12 -0.03 0.00 1.10 0.00 0.00 33.01 30.86 2x38 s GLN 206 CO 0.37 0.22 0.20 0.14 -0.55 0.00 0.00 175.29 175.67 2x38 s VAL 207 N 0.49 0.22 -0.07 1.34 -7.23 -0.40 -4.99 120.40 109.77 2x38 s VAL 207 Ca 0.01 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.16 2x38 s VAL 207 Cb -0.13 -2.46 -0.03 0.00 0.56 0.00 0.00 36.38 34.31 2x38 s VAL 207 CO 0.02 0.00 0.02 -0.55 -0.31 0.00 0.00 175.10 174.28 2x38 s SER 208 N -3.42 5.35 0.00 4.85 0.15 -1.26 -0.48 113.70 118.90 2x38 s SER 208 Ca 0.35 0.15 0.00 0.00 0.70 0.00 0.00 55.95 57.15 2x38 s SER 208 Cb 0.03 -1.51 0.00 0.00 -1.71 0.00 0.00 66.02 62.83 2x38 s SER 208 CO 0.21 0.35 0.78 0.35 1.20 0.00 0.00 173.24 176.14 2x38 n THR 209 N 1.91 1.16 0.02 6.45 -2.24 -0.44 -1.49 114.28 119.64 2x38 n THR 209 Ca -0.17 0.30 0.01 0.00 -2.27 0.00 0.00 64.05 61.91 2x38 n THR 209 Cb 0.53 -1.30 -0.10 0.00 -2.10 0.00 0.00 70.33 67.37 2x38 n THR 209 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 2x38 n LYS 210 N -1.28 0.63 -1.73 -0.78 2.85 -1.26 -3.25 118.16 113.34 2x38 n LYS 210 Ca 0.00 0.14 -0.35 0.00 -1.05 0.00 0.00 58.31 57.05 2x38 n LYS 210 Cb 0.01 -1.74 0.06 0.00 -0.65 0.00 0.00 35.03 32.71 2x38 n LYS 210 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2x38 s ASP 211 N -5.57 4.71 0.59 -5.58 1.01 -0.56 -4.50 116.67 106.77 2x38 s ASP 211 Ca -0.04 2.38 -0.08 0.00 0.71 0.00 0.00 52.55 55.52 2x38 s ASP 211 Cb 0.09 -2.59 -0.02 0.00 1.01 0.00 0.00 42.92 41.41 2x38 s ASP 211 CO 0.82 -1.92 0.94 -0.04 0.21 0.00 0.00 175.17 175.19 2x38 s MET 212 N -3.62 3.32 0.42 8.23 -1.94 -1.26 -1.56 119.30 122.88 2x38 s MET 212 Ca 0.76 0.38 0.15 0.00 -1.71 0.00 0.00 55.69 55.28 2x38 s MET 212 Cb -0.30 -2.20 1.03 0.00 2.01 0.00 0.00 34.83 35.37 2x38 s MET 212 CO 0.39 -0.56 1.90 -1.35 -0.01 0.00 0.00 175.02 175.39 2x38 h PRO 213 N -0.18 0.43 -0.49 2.03 0.11 -1.77 -2.93 132.00 129.19 2x38 h PRO 213 Ca -0.45 -0.03 0.05 0.00 0.11 0.00 0.00 66.00 65.68 2x38 h PRO 213 Cb 1.22 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 32.19 2x38 h PRO 213 CO 0.62 0.29 0.24 1.25 -0.21 0.00 0.00 178.00 180.18 2x38 h LEU 214 N 0.45 0.33 -0.27 2.35 5.85 -1.94 0.45 115.31 122.52 2x38 h LEU 214 Ca 0.41 0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.16 2x38 h LEU 214 Cb 0.92 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 2x38 h LEU 214 CO -0.14 0.23 0.17 0.00 -0.34 0.00 0.00 178.44 178.36 2x38 h ALA 215 N 1.27 0.34 -1.00 1.25 0.00 -1.91 0.14 119.26 119.36 2x38 h ALA 215 Ca 0.22 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.16 2x38 h ALA 215 Cb 0.14 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 2x38 h ALA 215 CO -0.17 -0.18 0.64 1.25 0.00 0.00 0.00 179.25 180.80 2x38 h LEU 216 N 0.36 1.04 -0.67 0.00 6.46 -1.47 -1.18 115.31 119.85 2x38 h LEU 216 Ca 0.10 0.00 -0.13 0.00 -0.12 0.00 0.00 57.88 57.73 2x38 h LEU 216 Cb -0.02 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 39.68 2x38 h LEU 216 CO -0.02 0.68 -0.42 0.24 -0.62 0.00 0.00 178.44 178.30 2x38 h MET 217 N 1.19 0.55 -0.75 1.25 2.86 -0.35 -2.39 114.93 117.30 2x38 h MET 217 Ca 0.42 -0.28 -0.01 0.00 -2.06 0.00 0.00 59.70 57.77 2x38 h MET 217 Cb 0.12 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.76 2x38 h MET 217 CO -0.16 0.87 0.44 0.00 1.06 0.00 0.00 176.91 179.12 2x38 h ALA 218 N 1.09 0.95 -0.18 6.32 0.00 -0.23 -2.27 119.26 124.95 2x38 h ALA 218 Ca 0.04 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.86 2x38 h ALA 218 Cb 0.92 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2x38 h ALA 218 CO 0.08 0.43 0.10 0.00 0.00 0.00 0.00 179.25 179.86 2x38 h ALA 220 N 1.08 1.43 0.05 0.00 0.00 -1.21 -1.26 119.26 119.36 2x38 h ALA 220 Ca 0.07 -0.26 -0.25 0.00 0.00 0.00 0.00 54.91 54.47 2x38 h ALA 220 Cb 0.00 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.72 2x38 h ALA 220 CO -0.04 0.40 -1.07 -0.07 0.00 0.00 0.00 179.25 178.47 2x38 h LEU 221 N 0.18 0.61 -0.48 0.00 3.38 -1.36 -1.78 115.31 115.86 2x38 h LEU 221 Ca 0.03 -0.53 -0.11 0.00 0.09 0.00 0.00 57.88 57.36 2x38 h LEU 221 Cb 0.49 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2x38 h LEU 221 CO 0.03 1.35 -0.13 0.03 0.09 0.00 0.00 178.44 179.81 2x38 h ARG 222 N 0.22 0.95 -0.52 1.13 3.08 -1.18 -0.38 114.38 117.68 2x38 h ARG 222 Ca -0.12 -0.37 0.05 0.00 0.07 0.00 0.00 59.98 59.61 2x38 h ARG 222 Cb 1.73 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 31.68 2x38 h ARG 222 CO 0.19 1.03 0.26 0.87 -1.07 0.00 0.00 179.97 181.25 2x38 h LYS 223 N 0.80 0.49 -0.45 0.04 1.79 -1.26 -1.22 116.57 116.75 2x38 h LYS 223 Ca 0.12 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.55 2x38 h LYS 223 Cb 0.70 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 31.21 2x38 h LYS 223 CO 0.05 0.32 0.24 -0.22 -1.08 0.00 0.00 179.45 178.76 2x38 h LYS 224 N 0.50 0.64 -0.66 3.15 3.64 -1.09 -1.95 116.57 120.80 2x38 h LYS 224 Ca 0.23 -0.08 0.02 0.00 -1.27 0.00 0.00 60.65 59.55 2x38 h LYS 224 Cb 0.15 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 2x38 h LYS 224 CO -0.17 0.52 0.44 0.00 -2.27 0.00 0.00 179.45 177.97 2x38 h ALA 225 N 1.09 1.58 -0.01 5.00 0.00 -0.85 -0.76 119.26 125.31 2x38 h ALA 225 Ca 0.16 -0.04 -0.20 0.00 0.00 0.00 0.00 54.91 54.83 2x38 h ALA 225 Cb 0.07 -0.25 0.02 0.00 0.00 0.00 0.00 17.79 17.63 2x38 h ALA 225 CO -0.02 0.37 -0.78 1.79 0.00 0.00 0.00 179.25 180.60 2x38 h THR 226 N 0.85 1.36 -0.46 0.00 1.35 -0.88 0.65 112.91 115.78 2x38 h THR 226 Ca 0.25 -2.13 -0.10 0.00 -0.55 0.00 0.00 66.41 63.89 2x38 h THR 226 Cb -0.02 2.47 -0.01 0.00 -1.73 0.00 0.00 68.15 68.86 2x38 h THR 226 CO -0.06 0.64 -0.09 0.58 -0.25 0.00 0.00 175.52 176.34 2x38 h VAL 227 N 0.13 1.27 -0.04 6.82 2.07 -1.29 -2.61 116.25 122.60 2x38 h VAL 227 Ca -0.10 -1.20 0.00 0.00 0.82 0.00 0.00 66.70 66.23 2x38 h VAL 227 Cb 1.47 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 32.35 2x38 h VAL 227 CO 0.16 0.41 0.00 0.49 0.02 0.00 0.00 177.57 178.65 2x38 n PHE 228 N -4.28 0.06 -1.12 1.57 3.01 -0.30 -4.91 117.46 111.49 2x38 n PHE 228 Ca -0.00 -0.03 -0.06 0.00 1.01 0.00 0.00 57.45 58.37 2x38 n PHE 228 Cb 0.37 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.81 2x38 n PHE 228 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 2x38 n ARG 229 N -0.45 -1.82 -1.59 -1.08 5.12 -0.62 -5.00 116.66 111.22 2x38 n ARG 229 Ca 0.07 0.67 0.00 0.00 -1.93 0.00 0.00 57.85 56.66 2x38 n ARG 229 Cb 0.07 -5.02 0.00 0.00 -1.16 0.00 0.00 32.46 26.36 2x38 n ARG 229 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64 2x38 n GLN 230 N -0.09 -4.31 0.00 5.56 7.27 0.22 -4.96 117.38 121.07 2x38 n GLN 230 Ca -0.06 3.30 0.00 0.00 0.07 0.00 0.00 57.00 60.31 2x38 n GLN 230 Cb 0.51 -3.96 0.00 0.00 2.41 0.00 0.00 30.24 29.21 2x38 n GLN 230 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 2x38 n GLN 235 N -1.96 0.00 -0.26 3.69 -0.06 -1.26 -5.12 117.38 112.40 2x38 n GLN 235 Ca 0.00 0.00 0.17 0.00 -2.00 0.00 0.00 57.00 55.17 2x38 n GLN 235 Cb 0.30 0.00 0.46 0.00 -4.06 0.00 0.00 30.24 26.94 2x38 n GLN 235 CO 0.00 0.00 0.00 -1.35 -0.20 0.00 0.00 177.06 175.51 2x38 h PRO 236 N 0.00 0.50 0.00 3.69 0.11 -1.92 -0.18 132.00 134.21 2x38 h PRO 236 Ca 0.00 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.08 2x38 h PRO 236 Cb 0.00 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.00 2x38 h PRO 236 CO 0.00 0.33 -0.01 0.93 -0.21 0.00 0.00 178.00 179.05 2x38 h GLU 237 N 0.52 0.00 -0.00 1.05 3.07 -1.99 -2.80 114.58 114.42 2x38 h GLU 237 Ca 0.48 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.34 2x38 h GLU 237 Cb 1.03 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.94 2x38 h GLU 237 CO -0.21 0.01 0.00 0.39 -1.40 0.00 0.00 179.01 177.79 2x38 n GLU 238 N -3.15 1.01 -4.25 2.33 -0.58 -0.08 -4.90 120.64 111.02 2x38 n GLU 238 Ca -0.02 -0.02 -0.14 0.00 -0.42 0.00 0.00 57.16 56.56 2x38 n GLU 238 Cb 0.13 -1.16 -0.10 0.00 -0.57 0.00 0.00 31.44 29.73 2x38 n GLU 238 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 2x38 s TYR 239 N -1.99 1.25 0.18 -0.32 2.02 -1.06 -0.63 117.35 116.80 2x38 s TYR 239 Ca 0.16 -0.81 0.05 0.00 -0.37 0.00 0.00 57.07 56.09 2x38 s TYR 239 Cb 0.07 -0.66 -0.05 0.00 -0.40 0.00 0.00 41.96 40.92 2x38 s TYR 239 CO 0.12 0.02 -0.09 0.00 -1.57 0.00 0.00 175.55 174.03 2x38 s ALA 240 N -3.39 1.67 -0.34 3.71 0.00 0.26 -4.95 121.76 118.71 2x38 s ALA 240 Ca 0.18 -1.59 -0.08 0.00 0.00 0.00 0.00 51.96 50.47 2x38 s ALA 240 Cb 0.03 0.09 0.03 0.00 0.00 0.00 0.00 23.12 23.27 2x38 s ALA 240 CO 0.01 -0.08 0.14 -0.51 0.00 0.00 0.00 175.76 175.32 2x38 s LEU 241 N -3.23 4.40 0.22 0.00 1.43 -0.78 -0.27 118.68 120.44 2x38 s LEU 241 Ca 0.20 -0.98 -0.30 0.00 -1.03 0.00 0.00 54.13 52.03 2x38 s LEU 241 Cb 0.02 -1.94 -0.08 0.00 0.03 0.00 0.00 46.19 44.22 2x38 s LEU 241 CO 0.04 -0.32 0.96 -1.58 0.23 0.00 0.00 176.35 175.67 2x38 s GLN 242 N 1.49 4.81 0.14 1.70 0.74 -0.17 0.12 119.66 128.50 2x38 s GLN 242 Ca 0.01 1.51 -0.30 0.00 0.05 0.00 0.00 55.36 56.62 2x38 s GLN 242 Cb -0.19 -3.29 -0.07 0.00 1.10 0.00 0.00 33.01 30.56 2x38 s GLN 242 CO 0.05 0.44 1.13 0.08 -0.55 0.00 0.00 175.29 176.43 2x38 s VAL 243 N -0.95 3.92 0.21 1.34 1.01 0.45 -0.20 120.40 126.18 2x38 s VAL 243 Ca 0.42 1.57 -0.31 0.00 0.00 0.00 0.00 61.98 63.66 2x38 s VAL 243 Cb -0.26 -4.00 -0.11 0.00 0.00 0.00 0.00 36.38 32.01 2x38 s VAL 243 CO 0.32 0.23 1.64 0.20 0.00 0.00 0.00 175.10 177.49 2x38 s ASN 244 N 0.23 6.46 -1.49 3.32 -0.87 -0.95 -2.31 114.94 119.32 2x38 s ASN 244 Ca 0.52 2.79 0.00 0.00 -1.57 0.00 0.00 52.86 54.60 2x38 s ASN 244 Cb -0.29 -2.61 0.00 0.00 -0.02 0.00 0.00 41.25 38.33 2x38 s ASN 244 CO 0.34 -0.90 0.00 0.61 -2.57 0.00 0.00 177.10 174.57 2x38 n GLY 245 N 3.49 1.34 3.29 0.66 0.00 -1.23 -4.48 105.19 108.27 2x38 n GLY 245 Ca 0.13 -0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.96 2x38 n GLY 245 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2x38 s ARG 246 N -3.19 1.17 -1.44 1.61 0.52 -0.98 -4.33 118.95 112.31 2x38 s ARG 246 Ca 0.00 -1.38 -0.08 0.00 -0.52 0.00 0.00 55.73 53.76 2x38 s ARG 246 Cb 0.00 -1.08 0.04 0.00 0.52 0.00 0.00 34.95 34.43 2x38 s ARG 246 CO 0.00 0.20 2.56 0.72 0.02 0.00 0.00 175.30 178.80 2x38 n HIS 247 N 0.24 2.60 -4.01 -0.53 8.25 0.19 -4.58 115.22 117.38 2x38 n HIS 247 Ca -0.13 -2.93 -0.15 0.00 -0.26 0.00 0.00 57.72 54.25 2x38 n HIS 247 Cb 0.58 -2.13 -0.15 0.00 1.12 0.00 0.00 29.99 29.41 2x38 n HIS 247 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 2x38 s GLU 248 N 0.42 0.26 -0.02 -0.41 2.12 -1.26 -4.59 118.70 115.22 2x38 s GLU 248 Ca 0.59 -0.07 0.02 0.00 0.36 0.00 0.00 54.97 55.86 2x38 s GLU 248 Cb 0.17 -0.28 0.00 0.00 0.26 0.00 0.00 34.13 34.28 2x38 s GLU 248 CO -0.07 0.02 -0.06 0.71 -0.54 0.00 0.00 175.26 175.32 2x38 s TYR 249 N 0.15 0.61 -0.22 5.30 1.51 -1.26 -0.41 117.35 123.03 2x38 s TYR 249 Ca -0.01 -0.13 -0.09 0.00 -1.01 0.00 0.00 57.07 55.84 2x38 s TYR 249 Cb -0.04 -0.44 -0.04 0.00 -0.11 0.00 0.00 41.96 41.33 2x38 s TYR 249 CO -0.00 -0.06 0.10 -0.51 -1.11 0.00 0.00 175.55 173.97 2x38 s LEU 250 N 0.15 3.87 0.14 -1.29 1.02 0.33 -4.71 118.68 118.19 2x38 s LEU 250 Ca -0.02 0.04 -0.25 0.00 0.02 0.00 0.00 54.13 53.93 2x38 s LEU 250 Cb -0.06 -2.01 0.07 0.00 0.02 0.00 0.00 46.19 44.21 2x38 s LEU 250 CO -0.00 0.10 0.99 -0.72 0.02 0.00 0.00 176.35 176.73 2x38 s TYR 251 N 0.85 -0.11 0.00 0.29 -0.85 -1.26 -1.87 117.35 114.39 2x38 s TYR 251 Ca 0.05 -0.19 0.00 0.00 -0.52 0.00 0.00 57.07 56.41 2x38 s TYR 251 Cb -0.13 0.64 0.00 0.00 0.38 0.00 0.00 41.96 42.84 2x38 s TYR 251 CO 0.03 -0.80 0.00 0.41 -1.52 0.00 0.00 175.55 173.67 2x38 n GLY 252 N -0.48 0.21 3.58 5.49 0.00 -1.26 -4.74 105.19 107.99 2x38 n GLY 252 Ca -0.06 -1.80 -0.43 0.00 0.00 0.00 0.00 46.02 43.73 2x38 n GLY 252 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2x38 s ASN 253 N -1.74 6.79 -0.04 1.61 0.01 -1.26 -4.43 114.94 115.88 2x38 s ASN 253 Ca 0.00 -2.30 -0.01 0.00 -0.71 0.00 0.00 52.86 49.84 2x38 s ASN 253 Cb 0.00 -2.58 0.03 0.00 0.41 0.00 0.00 41.25 39.12 2x38 s ASN 253 CO 0.00 -1.22 0.08 -0.31 -1.51 0.00 0.00 177.10 174.14 2x38 s TYR 254 N 4.34 -0.04 0.38 2.20 2.02 -1.26 -5.09 117.35 119.89 2x38 s TYR 254 Ca 0.53 0.28 -0.28 0.00 -0.37 0.00 0.00 57.07 57.23 2x38 s TYR 254 Cb 0.03 -0.21 -0.11 0.00 -0.40 0.00 0.00 41.96 41.28 2x38 s TYR 254 CO 0.05 -0.13 1.45 -1.25 -1.57 0.00 0.00 175.55 174.09 2x38 s PRO 255 N 1.26 4.11 0.47 -1.71 0.04 -1.26 -3.97 135.00 133.93 2x38 s PRO 255 Ca -0.07 2.49 0.32 0.00 0.04 0.00 0.00 61.00 63.78 2x38 s PRO 255 Cb -0.12 -2.95 1.44 0.00 0.04 0.00 0.00 34.50 32.91 2x38 s PRO 255 CO -0.04 -0.50 1.67 -0.07 0.04 0.00 0.00 177.00 178.10 2x38 h LEU 256 N 2.99 0.20 -0.30 -3.56 3.38 -1.33 0.24 115.31 116.93 2x38 h LEU 256 Ca -0.50 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.55 2x38 h LEU 256 Cb 1.24 0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.05 2x38 h LEU 256 CO 0.64 -0.07 0.00 0.00 0.09 0.00 0.00 178.44 179.10 2x38 h HIS 258 N 0.00 0.00 -3.28 0.00 3.86 -0.84 -3.37 115.15 111.52 2x38 h HIS 258 Ca 0.00 0.00 -0.55 0.00 -1.16 0.00 0.00 60.37 58.66 2x38 h HIS 258 Cb 0.56 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.00 2x38 h HIS 258 CO 0.00 0.09 0.53 -0.06 0.86 0.00 0.00 177.93 179.35 2x38 s PHE 259 N -3.59 3.52 0.27 2.45 0.08 -0.89 0.14 117.98 119.96 2x38 s PHE 259 Ca 0.02 1.58 -0.00 0.00 0.12 0.00 0.00 56.93 58.64 2x38 s PHE 259 Cb 0.09 -3.20 0.58 0.00 -0.57 0.00 0.00 43.02 39.92 2x38 s PHE 259 CO 0.60 -0.30 1.74 1.96 -0.10 0.00 0.00 175.22 179.11 2x38 h GLN 260 N 7.05 0.51 -0.30 0.44 4.20 -0.73 0.30 115.11 126.58 2x38 h GLN 260 Ca -0.34 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.33 2x38 h GLN 260 Cb 1.17 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.82 2x38 h GLN 260 CO 0.83 0.34 0.14 -0.92 -0.67 0.00 0.00 178.83 178.55 2x38 h TYR 261 N 0.52 0.43 -0.10 2.96 3.20 -1.91 0.13 116.97 122.20 2x38 h TYR 261 Ca 0.49 -0.02 -0.07 0.00 3.14 0.00 0.00 58.73 62.26 2x38 h TYR 261 Cb 0.78 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.91 2x38 h TYR 261 CO -0.12 0.39 -0.22 0.82 -1.64 0.00 0.00 178.16 177.39 2x38 h ILE 262 N 0.35 1.40 -0.94 1.81 1.08 -1.58 -2.50 117.51 117.13 2x38 h ILE 262 Ca 0.10 -1.52 0.10 0.00 -0.39 0.00 0.00 64.86 63.15 2x38 h ILE 262 Cb 0.12 2.14 -0.08 0.00 -3.07 0.00 0.00 36.82 35.94 2x38 h ILE 262 CO -0.01 0.44 0.58 0.00 -0.69 0.00 0.00 178.15 178.46 2x38 h SER 264 N 0.96 0.83 -0.42 0.00 0.87 -0.72 -3.08 113.55 111.99 2x38 h SER 264 Ca 0.45 -0.32 0.01 0.00 -1.23 0.00 0.00 61.79 60.69 2x38 h SER 264 Cb 0.37 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.08 2x38 h SER 264 CO -0.24 1.05 0.28 0.00 -0.53 0.00 0.00 176.83 177.39 2x38 h LEU 266 N 0.54 -1.31 -0.94 0.00 3.38 -1.43 0.22 115.31 115.77 2x38 h LEU 266 Ca 0.16 0.15 -0.05 0.00 0.09 0.00 0.00 57.88 58.22 2x38 h LEU 266 Cb -0.02 0.49 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 2x38 h LEU 266 CO -0.04 -0.50 0.20 0.45 0.09 0.00 0.00 178.44 178.64 2x38 h HIS 267 N -0.66 1.00 0.00 1.13 3.86 -1.53 -1.42 115.15 117.53 2x38 h HIS 267 Ca 0.02 -0.09 -0.14 0.00 -1.16 0.00 0.00 60.37 59.00 2x38 h HIS 267 Cb 0.69 -0.29 -0.02 0.00 1.06 0.00 0.00 27.41 28.85 2x38 h HIS 267 CO -0.39 0.80 -0.68 0.66 0.86 0.00 0.00 177.93 179.18 2x38 h SER 268 N 0.94 0.00 0.00 2.45 4.64 -1.55 -3.47 113.55 116.56 2x38 h SER 268 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 2x38 h SER 268 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 2x38 h SER 268 CO -0.01 0.68 0.00 0.61 -0.87 0.00 0.00 176.83 177.24 2x38 n GLY 269 N 0.46 0.77 3.78 -0.77 0.00 -0.05 -5.07 105.19 104.31 2x38 n GLY 269 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2x38 n GLY 269 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2x38 s LEU 270 N 0.00 4.26 -0.14 0.99 1.02 -0.53 -4.97 118.68 119.32 2x38 s LEU 270 Ca 0.00 1.89 -0.29 0.00 0.02 0.00 0.00 54.13 55.74 2x38 s LEU 270 Cb 0.00 -4.09 -0.02 0.00 0.02 0.00 0.00 46.19 42.11 2x38 s LEU 270 CO 0.00 -0.20 1.19 -0.89 0.02 0.00 0.00 176.35 176.47 2x38 s THR 271 N -1.66 4.38 0.30 5.49 2.01 -1.26 -4.45 115.64 120.44 2x38 s THR 271 Ca 0.53 1.68 -0.29 0.00 0.31 0.00 0.00 61.69 63.91 2x38 s THR 271 Cb -0.19 -4.08 -0.13 0.00 0.01 0.00 0.00 72.50 68.11 2x38 s THR 271 CO 0.24 -0.09 1.31 -2.65 -0.69 0.00 0.00 174.62 172.74 2x38 n PRO 272 N 6.02 2.01 -4.04 4.92 -0.02 -1.24 -4.81 135.00 137.83 2x38 n PRO 272 Ca 0.12 0.71 -0.31 0.00 -2.02 0.00 0.00 63.50 62.00 2x38 n PRO 272 Cb 0.46 -2.30 -0.16 0.00 -0.02 0.00 0.00 33.50 31.48 2x38 n PRO 272 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 2x38 s HIS 273 N -0.69 2.70 0.11 6.00 3.76 -1.26 -0.30 115.29 125.61 2x38 s HIS 273 Ca 0.61 -1.77 0.08 0.00 -0.15 0.00 0.00 55.06 53.82 2x38 s HIS 273 Cb -0.61 -1.77 -0.04 0.00 1.11 0.00 0.00 32.58 31.27 2x38 s HIS 273 CO 0.57 -0.79 -0.19 -0.51 -0.85 0.00 0.00 174.74 172.97 2x38 s LEU 274 N 1.30 2.32 -0.13 0.89 1.43 0.55 -2.25 118.68 122.79 2x38 s LEU 274 Ca -0.01 -0.71 0.03 0.00 -1.03 0.00 0.00 54.13 52.40 2x38 s LEU 274 Cb -0.16 -0.81 0.01 0.00 0.03 0.00 0.00 46.19 45.26 2x38 s LEU 274 CO -0.09 0.02 -0.21 -0.89 0.23 0.00 0.00 176.35 175.41 2x38 s THR 275 N -1.36 1.92 0.00 5.49 2.01 0.73 -1.41 115.64 123.01 2x38 s THR 275 Ca 0.07 -0.90 -0.30 0.00 0.31 0.00 0.00 61.69 60.87 2x38 s THR 275 Cb -0.09 -1.70 -0.06 0.00 0.01 0.00 0.00 72.50 70.66 2x38 s THR 275 CO 0.04 0.52 1.58 -0.04 -0.69 0.00 0.00 174.62 176.03 2x38 s MET 276 N 0.79 4.22 -0.12 4.92 -1.94 0.14 -1.00 119.30 126.31 2x38 s MET 276 Ca -0.09 2.17 0.01 0.00 -1.71 0.00 0.00 55.69 56.07 2x38 s MET 276 Cb -0.16 -3.73 0.02 0.00 2.01 0.00 0.00 34.83 32.97 2x38 s MET 276 CO -0.00 -0.73 -0.16 0.08 -0.01 0.00 0.00 175.02 174.20 2x38 s VAL 277 N 3.07 1.57 0.41 -6.03 1.01 0.63 -3.01 120.40 118.04 2x38 s VAL 277 Ca 0.70 -0.67 -0.23 0.00 0.00 0.00 0.00 61.98 61.79 2x38 s VAL 277 Cb -0.35 -1.43 -0.10 0.00 0.00 0.00 0.00 36.38 34.50 2x38 s VAL 277 CO 0.29 0.46 1.00 -2.28 0.00 0.00 0.00 175.10 174.57 2x38 s HIS 278 N 1.09 3.29 0.44 5.22 2.46 -1.26 -0.57 115.29 125.95 2x38 s HIS 278 Ca -0.04 1.64 0.19 0.00 0.47 0.00 0.00 55.06 57.32 2x38 s HIS 278 Cb -0.14 -3.00 1.13 0.00 -0.13 0.00 0.00 32.58 30.43 2x38 s HIS 278 CO -0.04 -0.38 1.89 0.66 -2.47 0.00 0.00 174.74 174.40 2x38 h SER 279 N 2.23 0.34 0.44 9.88 4.64 -1.24 -0.47 113.55 129.37 2x38 h SER 279 Ca -0.48 0.03 -0.07 0.00 -0.47 0.00 0.00 61.79 60.80 2x38 h SER 279 Cb 1.20 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 2x38 h SER 279 CO 0.62 0.15 -0.32 0.77 -0.87 0.00 0.00 176.83 177.17 2x38 h SER 280 N 0.35 0.00 0.48 4.97 4.64 -1.94 -0.58 113.55 121.47 2x38 h SER 280 Ca 0.42 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.49 2x38 h SER 280 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 2x38 h SER 280 CO -0.13 0.32 -1.07 -1.28 -0.87 0.00 0.00 176.83 173.81 2x38 h SER 281 N 0.00 0.47 -0.19 4.97 0.87 -1.49 -2.63 113.55 115.55 2x38 h SER 281 Ca -0.00 -0.43 -0.09 0.00 -1.23 0.00 0.00 61.79 60.04 2x38 h SER 281 Cb 0.63 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 62.44 2x38 h SER 281 CO 0.04 1.27 -0.24 0.40 -0.53 0.00 0.00 176.83 177.77 2x38 h ILE 282 N 0.15 1.34 -0.13 2.23 2.04 -1.12 -3.01 117.51 119.01 2x38 h ILE 282 Ca -0.10 -1.43 -0.06 0.00 1.00 0.00 0.00 64.86 64.27 2x38 h ILE 282 Cb 1.74 1.82 -0.01 0.00 -0.74 0.00 0.00 36.82 39.63 2x38 h ILE 282 CO 0.18 0.43 -0.21 -0.07 0.00 0.00 0.00 178.15 178.49 2x38 h LEU 283 N 0.16 0.22 -1.37 1.44 3.38 -1.16 -1.01 115.31 116.97 2x38 h LEU 283 Ca 0.02 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 57.94 2x38 h LEU 283 Cb 0.80 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.46 2x38 h LEU 283 CO 0.06 0.44 0.42 0.00 0.09 0.00 0.00 178.44 179.44 2x38 h ALA 284 N 1.58 1.54 0.09 1.53 0.00 -1.47 0.34 119.26 122.88 2x38 h ALA 284 Ca 0.04 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2x38 h ALA 284 Cb 0.49 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2x38 h ALA 284 CO 0.03 0.43 -0.04 0.52 0.00 0.00 0.00 179.25 180.18 2x38 h MET 285 N 0.86 -0.12 -0.12 0.00 2.86 -1.06 -1.79 114.93 115.56 2x38 h MET 285 Ca 0.23 0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.93 2x38 h MET 285 Cb -0.09 0.03 -0.06 0.00 0.06 0.00 0.00 31.60 31.53 2x38 h MET 285 CO -0.05 0.06 -0.35 -0.09 1.06 0.00 0.00 176.91 177.54 2x38 h ARG 286 N -0.28 -0.42 -0.76 1.72 2.43 -0.99 -2.64 114.38 113.44 2x38 h ARG 286 Ca -0.01 0.03 0.13 0.00 -0.81 0.00 0.00 59.98 59.31 2x38 h ARG 286 Cb 0.23 0.09 -0.09 0.00 -0.42 0.00 0.00 29.97 29.79 2x38 h ARG 286 CO 0.02 -0.28 0.35 -0.44 -1.51 0.00 0.00 179.97 178.12 2x38 h ASP 287 N -0.43 0.41 0.68 -3.80 3.32 -0.93 -1.50 116.42 114.16 2x38 h ASP 287 Ca 0.09 0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.23 2x38 h ASP 287 Cb 0.57 0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.15 2x38 h ASP 287 CO -0.36 0.19 0.00 1.05 -1.72 0.00 0.00 179.24 178.40 2x38 h GLU 288 N 0.54 0.00 -0.61 3.56 4.11 -0.96 -2.99 114.58 118.23 2x38 h GLU 288 Ca 0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.83 2x38 h GLU 288 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 2x38 h GLU 288 CO -0.35 0.00 0.00 1.04 0.07 0.00 0.00 179.01 179.77 2x38 n GLN 289 N -2.53 4.45 -1.87 1.06 6.02 -0.57 -4.97 117.38 118.97 2x38 n GLN 289 Ca 0.01 -3.07 -0.38 0.00 -0.01 0.00 0.00 57.00 53.55 2x38 n GLN 289 Cb 0.22 -2.12 0.04 0.00 1.02 0.00 0.00 30.24 29.39 2x38 n GLN 289 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2x38 s SER 290 N -0.85 5.34 0.00 1.08 1.04 -1.13 -4.42 113.70 114.76 2x38 s SER 290 Ca 0.54 2.66 0.00 0.00 0.48 0.00 0.00 55.95 59.62 2x38 s SER 290 Cb 0.38 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.88 2x38 s SER 290 CO 0.20 -1.51 0.00 0.59 0.98 0.00 0.00 173.24 173.49 2x38 n ASN 291 N -1.06 0.00 0.00 7.02 5.03 -1.26 -4.67 115.26 120.32 2x38 n ASN 291 Ca 0.11 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.56 2x38 n ASN 291 Cb 0.46 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.22 2x38 n ASN 291 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2x38 n LEU 316 N 0.00 0.00 0.00 3.41 -0.00 -1.26 -5.03 117.00 114.12 2x38 n LEU 316 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 56.01 56.05 2x38 n LEU 316 Cb 0.00 0.00 0.20 0.00 -0.00 0.00 0.00 43.42 43.62 2x38 n LEU 316 CO 0.00 0.00 0.63 -2.67 -0.00 0.00 0.00 177.39 175.35 2x38 n TRP 317 N 0.00 0.00 0.19 1.47 4.27 -1.26 -3.83 117.44 118.27 2x38 n TRP 317 Ca 0.00 0.00 0.07 0.00 -3.89 0.00 0.00 57.50 53.68 2x38 n TRP 317 Cb 0.00 -0.47 0.26 0.00 -1.36 0.00 0.00 31.31 29.74 2x38 n TRP 317 CO 0.00 0.00 0.00 0.77 -2.29 0.00 0.00 177.69 176.17 2x38 h SER 318 N 0.00 0.00 -3.39 -0.67 0.02 -1.99 -3.45 113.55 104.07 2x38 h SER 318 Ca 0.00 0.00 -0.65 0.00 -0.84 0.00 0.00 61.79 60.30 2x38 h SER 318 Cb 0.14 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 62.53 2x38 h SER 318 CO 0.00 0.31 0.24 -0.76 -1.14 0.00 0.00 176.83 175.48 2x38 s LEU 319 N -6.61 4.53 0.03 5.07 1.43 -1.25 -4.91 118.68 116.97 2x38 s LEU 319 Ca 0.02 -0.51 0.22 0.00 -1.03 0.00 0.00 54.13 52.84 2x38 s LEU 319 Cb 0.09 -2.69 -0.25 0.00 0.03 0.00 0.00 46.19 43.37 2x38 s LEU 319 CO 0.68 -0.94 0.62 -0.62 0.23 0.00 0.00 176.35 176.32 2x38 n GLU 320 N 6.58 0.65 -1.68 1.70 1.02 -1.26 -0.69 120.64 126.96 2x38 n GLU 320 Ca -0.02 -0.11 -0.40 0.00 -0.02 0.00 0.00 57.16 56.62 2x38 n GLU 320 Cb 0.47 -1.60 0.03 0.00 -0.02 0.00 0.00 31.44 30.32 2x38 n GLU 320 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2x38 n GLN 321 N -2.39 1.55 -1.76 3.49 0.00 -1.26 -4.43 117.38 112.57 2x38 n GLN 321 Ca -0.04 0.56 -0.40 0.00 0.00 0.00 0.00 57.00 57.13 2x38 n GLN 321 Cb 0.58 -2.35 0.03 0.00 0.00 0.00 0.00 30.24 28.50 2x38 n GLN 321 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.06 174.76 2x38 n PRO 322 N -0.50 2.11 -2.04 2.61 -0.02 -1.26 -1.67 135.00 134.24 2x38 n PRO 322 Ca 0.10 0.76 -0.40 0.00 -2.02 0.00 0.00 63.50 61.93 2x38 n PRO 322 Cb 0.43 -2.63 -0.01 0.00 -0.02 0.00 0.00 33.50 31.27 2x38 n PRO 322 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2x38 s PHE 323 N -1.22 2.87 -0.03 6.00 5.36 0.48 -4.75 117.98 126.70 2x38 s PHE 323 Ca 0.64 1.38 -0.21 0.00 -0.96 0.00 0.00 56.93 57.78 2x38 s PHE 323 Cb -0.44 -3.73 0.04 0.00 -0.34 0.00 0.00 43.02 38.56 2x38 s PHE 323 CO 0.55 -2.14 0.46 -1.54 -1.46 0.00 0.00 175.22 171.09 2x38 s SER 324 N -0.55 -0.37 0.21 6.13 1.04 -1.26 0.17 113.70 119.07 2x38 s SER 324 Ca 0.53 0.33 0.03 0.00 0.48 0.00 0.00 55.95 57.32 2x38 s SER 324 Cb -0.40 0.40 -0.05 0.00 0.10 0.00 0.00 66.02 66.07 2x38 s SER 324 CO 0.53 -0.52 -0.00 0.27 0.98 0.00 0.00 173.24 174.50 2x38 s ILE 325 N -1.30 0.89 -0.17 -1.02 -4.36 0.70 -4.44 121.20 111.50 2x38 s ILE 325 Ca -0.12 -2.02 -0.05 0.00 -0.26 0.00 0.00 60.65 58.20 2x38 s ILE 325 Cb -0.03 -2.26 -0.03 0.00 1.25 0.00 0.00 42.46 41.38 2x38 s ILE 325 CO 0.06 -0.38 0.01 -0.70 0.24 0.00 0.00 174.94 174.18 2x38 s GLU 326 N -3.89 3.82 -0.44 0.37 2.12 -0.85 0.43 118.70 120.26 2x38 s GLU 326 Ca 0.27 -0.44 -0.21 0.00 0.36 0.00 0.00 54.97 54.95 2x38 s GLU 326 Cb 0.06 -3.05 0.02 0.00 0.26 0.00 0.00 34.13 31.42 2x38 s GLU 326 CO 0.07 0.26 0.68 -1.17 -0.54 0.00 0.00 175.26 174.56 2x38 s LEU 327 N 0.36 4.43 0.00 2.70 2.96 0.07 -0.72 118.68 128.48 2x38 s LEU 327 Ca -0.01 -0.26 0.00 0.00 -0.22 0.00 0.00 54.13 53.64 2x38 s LEU 327 Cb -0.13 -2.80 0.00 0.00 0.50 0.00 0.00 46.19 43.76 2x38 s LEU 327 CO 0.02 -0.81 0.00 -0.38 -1.32 0.00 0.00 176.35 173.85 2x38 n ILE 328 N 5.92 0.00 -3.81 6.68 5.41 -0.43 -1.70 119.36 131.44 2x38 n ILE 328 Ca -0.01 0.44 -0.04 0.00 1.00 0.00 0.00 62.75 64.15 2x38 n ILE 328 Cb 0.48 -1.34 0.00 0.00 -0.71 0.00 0.00 39.64 38.07 2x38 n ILE 328 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 2x38 s GLU 329 N -0.89 1.41 0.15 0.38 -1.05 -1.16 0.77 118.70 118.32 2x38 s GLU 329 Ca 0.00 -0.84 0.01 0.00 -0.15 0.00 0.00 54.97 53.99 2x38 s GLU 329 Cb 0.00 0.44 -0.00 0.00 -0.44 0.00 0.00 34.13 34.13 2x38 s GLU 329 CO 0.00 -0.65 0.18 0.41 0.95 0.00 0.00 175.26 176.15 2x38 n GLY 330 N -0.55 3.01 2.54 -3.83 0.00 -0.58 -0.23 105.19 105.55 2x38 n GLY 330 Ca -0.05 -1.59 -0.16 0.00 0.00 0.00 0.00 46.02 44.22 2x38 n GLY 330 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2x38 n ARG 331 N -0.27 0.50 -2.46 1.61 1.85 -1.05 -2.51 116.66 114.33 2x38 n ARG 331 Ca 0.02 -2.56 -0.09 0.00 -1.00 0.00 0.00 57.85 54.22 2x38 n ARG 331 Cb 0.26 -1.49 -0.01 0.00 -1.05 0.00 0.00 32.46 30.18 2x38 n ARG 331 CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 177.63 177.98 2x38 n LYS 332 N 2.39 1.40 -3.76 2.89 -0.00 -1.26 -4.10 118.16 115.71 2x38 n LYS 332 Ca 0.21 -1.09 -0.20 0.00 -0.00 0.00 0.00 58.31 57.23 2x38 n LYS 332 Cb 0.54 0.19 -0.17 0.00 -0.00 0.00 0.00 35.03 35.59 2x38 n LYS 332 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2x38 s VAL 333 N -1.12 0.11 0.00 0.58 1.01 -1.26 -4.43 120.40 115.29 2x38 s VAL 333 Ca 0.06 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.29 2x38 s VAL 333 Cb -0.00 -0.30 0.00 0.00 0.00 0.00 0.00 36.38 36.08 2x38 s VAL 333 CO 0.04 0.20 0.00 -3.20 0.00 0.00 0.00 175.10 172.13 2x38 n ASN 334 N 4.97 0.00 0.00 3.32 5.15 -1.26 -5.06 115.26 122.38 2x38 n ASN 334 Ca -0.10 -0.62 0.00 0.00 -0.60 0.00 0.00 54.58 53.26 2x38 n ASN 334 Cb 0.50 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.75 2x38 n ASN 334 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2x38 n ALA 335 N -3.00 0.00 0.00 5.20 0.00 -1.26 -4.98 120.51 116.47 2x38 n ALA 335 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2x38 n ALA 335 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2x38 n ALA 335 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2x38 n MET 339 N 0.00 0.00 -4.06 0.00 2.00 -1.26 -4.91 117.12 108.89 2x38 n MET 339 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 57.70 57.46 2x38 n MET 339 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 33.22 33.18 2x38 n MET 339 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 2x38 s LYS 340 N -4.12 3.04 0.05 0.03 3.01 -0.49 0.31 119.74 121.57 2x38 s LYS 340 Ca 0.00 -0.87 0.02 0.00 -1.01 0.00 0.00 55.97 54.11 2x38 s LYS 340 Cb 0.00 -2.70 -0.04 0.00 -1.01 0.00 0.00 37.83 34.09 2x38 s LYS 340 CO 0.00 0.46 0.06 -0.51 0.51 0.00 0.00 175.35 175.87 2x38 s LEU 341 N -3.41 3.76 0.03 3.17 1.43 0.49 -0.05 118.68 124.09 2x38 s LEU 341 Ca 0.32 0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.44 2x38 s LEU 341 Cb -0.09 -2.34 -0.03 0.00 0.03 0.00 0.00 46.19 43.76 2x38 s LEU 341 CO 0.25 0.21 -0.04 -0.69 0.23 0.00 0.00 176.35 176.32 2x38 s VAL 342 N -1.29 0.20 -0.16 -1.59 1.01 -0.40 -1.37 120.40 116.81 2x38 s VAL 342 Ca 0.26 -1.14 0.02 0.00 0.00 0.00 0.00 61.98 61.12 2x38 s VAL 342 Cb -0.12 -0.59 0.01 0.00 0.00 0.00 0.00 36.38 35.69 2x38 s VAL 342 CO 0.18 -0.60 -0.21 -0.69 0.00 0.00 0.00 175.10 173.78 2x38 s VAL 343 N -2.00 2.04 -0.14 2.92 1.01 -1.26 -1.89 120.40 121.08 2x38 s VAL 343 Ca -0.10 -0.95 -0.07 0.00 0.00 0.00 0.00 61.98 60.86 2x38 s VAL 343 Cb -0.06 -1.82 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 2x38 s VAL 343 CO -0.03 0.54 0.09 -1.58 0.00 0.00 0.00 175.10 174.13 2x38 s GLN 344 N 1.04 3.60 -0.01 2.72 0.74 -0.05 -0.59 119.66 127.11 2x38 s GLN 344 Ca -0.01 -0.25 0.02 0.00 0.05 0.00 0.00 55.36 55.17 2x38 s GLN 344 Cb -0.14 -3.16 -0.00 0.00 1.10 0.00 0.00 33.01 30.81 2x38 s GLN 344 CO -0.07 0.57 -0.08 0.00 -0.55 0.00 0.00 175.29 175.15 2x38 s ALA 345 N -0.44 0.69 0.04 1.58 0.00 0.01 -0.31 121.76 123.32 2x38 s ALA 345 Ca 0.11 -0.33 -0.06 0.00 0.00 0.00 0.00 51.96 51.67 2x38 s ALA 345 Cb -0.12 -0.19 -0.01 0.00 0.00 0.00 0.00 23.12 22.80 2x38 s ALA 345 CO 0.02 0.16 0.10 0.20 0.00 0.00 0.00 175.76 176.23 2x38 s GLY 346 N -0.11 0.16 -0.14 0.00 0.00 -0.17 -0.67 107.32 106.38 2x38 s GLY 346 Ca 0.02 -0.52 -0.04 0.00 0.00 0.00 0.00 44.72 44.18 2x38 s GLY 346 CO -0.00 -0.66 0.01 1.08 0.00 0.00 0.00 173.10 173.53 2x38 s LEU 347 N -2.07 3.54 0.08 0.66 1.43 -1.26 0.75 118.68 121.81 2x38 s LEU 347 Ca -0.06 0.03 0.05 0.00 -1.03 0.00 0.00 54.13 53.13 2x38 s LEU 347 Cb -0.02 -1.85 -0.03 0.00 0.03 0.00 0.00 46.19 44.32 2x38 s LEU 347 CO -0.04 0.24 -0.14 -0.36 0.23 0.00 0.00 176.35 176.29 2x38 s PHE 348 N -0.07 1.23 -0.37 0.29 0.08 0.28 -1.87 117.98 117.54 2x38 s PHE 348 Ca 0.04 -0.49 0.01 0.00 0.12 0.00 0.00 56.93 56.61 2x38 s PHE 348 Cb -0.13 -0.68 0.11 0.00 -0.57 0.00 0.00 43.02 41.76 2x38 s PHE 348 CO 0.02 0.07 0.14 -1.58 -0.10 0.00 0.00 175.22 173.77 2x38 s HIS 349 N -1.52 2.32 0.00 0.36 5.65 0.11 -1.95 115.29 120.25 2x38 s HIS 349 Ca 0.00 -2.32 0.00 0.00 0.25 0.00 0.00 55.06 52.99 2x38 s HIS 349 Cb -0.09 -2.10 0.00 0.00 -1.18 0.00 0.00 32.58 29.21 2x38 s HIS 349 CO 0.02 -0.85 0.00 0.41 -0.65 0.00 0.00 174.74 173.67 2x38 n GLY 350 N 4.18 1.13 0.12 1.59 0.00 -1.26 -3.20 105.19 107.75 2x38 n GLY 350 Ca 0.03 -0.66 -0.01 0.00 0.00 0.00 0.00 46.02 45.38 2x38 n GLY 350 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2x38 h ASN 351 N 4.56 0.00 -3.40 1.61 2.35 -1.86 -3.45 115.58 115.39 2x38 h ASN 351 Ca 0.00 0.00 -0.54 0.00 -0.55 0.00 0.00 56.30 55.21 2x38 h ASN 351 Cb 0.00 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.34 2x38 h ASN 351 CO 0.00 0.68 0.32 -1.61 -1.65 0.00 0.00 177.43 175.16 2x38 s GLU 352 N -3.29 4.53 0.33 0.81 8.01 -1.19 -5.04 118.70 122.86 2x38 s GLU 352 Ca 0.00 1.31 -0.28 0.00 0.01 0.00 0.00 54.97 56.01 2x38 s GLU 352 Cb 0.11 -3.46 -0.10 0.00 -4.31 0.00 0.00 34.13 26.38 2x38 s GLU 352 CO 0.76 -0.03 1.19 -1.64 0.01 0.00 0.00 175.26 175.55 2x38 s MET 353 N 0.98 4.40 0.08 1.61 -1.94 -1.26 -0.72 119.30 122.45 2x38 s MET 353 Ca 0.49 1.96 0.25 0.00 -1.71 0.00 0.00 55.69 56.67 2x38 s MET 353 Cb -0.20 -3.02 0.47 0.00 2.01 0.00 0.00 34.83 34.08 2x38 s MET 353 CO 0.26 -0.05 1.40 1.28 -0.01 0.00 0.00 175.02 177.90 2x38 n LEU 354 N 0.78 0.59 -3.71 -0.03 4.77 -0.78 -4.87 117.00 113.76 2x38 n LEU 354 Ca 0.01 0.19 -0.02 0.00 -0.03 0.00 0.00 56.01 56.16 2x38 n LEU 354 Cb 0.44 -0.23 -0.01 0.00 -2.33 0.00 0.00 43.42 41.29 2x38 n LEU 354 CO 0.55 0.00 0.84 0.00 -1.33 0.00 0.00 177.39 177.45 2x38 n LYS 356 N -0.48 0.71 -1.87 0.00 2.85 -1.26 -4.68 118.16 113.42 2x38 n LYS 356 Ca -0.07 0.30 -0.32 0.00 -1.05 0.00 0.00 58.31 57.17 2x38 n LYS 356 Cb 0.61 -2.28 0.03 0.00 -0.65 0.00 0.00 35.03 32.74 2x38 n LYS 356 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 2x38 s THR 357 N -1.67 3.84 0.05 0.58 -4.23 -1.26 -4.77 115.64 108.18 2x38 s THR 357 Ca 0.76 0.78 0.05 0.00 -1.18 0.00 0.00 61.69 62.10 2x38 s THR 357 Cb -0.37 -3.36 -0.02 0.00 1.34 0.00 0.00 72.50 70.09 2x38 s THR 357 CO 0.47 -0.60 -0.13 0.68 -0.54 0.00 0.00 174.62 174.50 2x38 s VAL 358 N -2.64 1.03 0.27 2.29 -7.23 0.15 -4.99 120.40 109.28 2x38 s VAL 358 Ca 0.62 -1.12 0.08 0.00 -1.81 0.00 0.00 61.98 59.74 2x38 s VAL 358 Cb -0.16 -0.98 -0.05 0.00 0.56 0.00 0.00 36.38 35.75 2x38 s VAL 358 CO 0.43 -0.14 -0.09 -0.44 -0.31 0.00 0.00 175.10 174.55 2x38 s SER 359 N -1.43 2.86 0.84 4.85 0.01 -1.26 -0.81 113.70 118.77 2x38 s SER 359 Ca -0.01 -1.13 -0.11 0.00 1.31 0.00 0.00 55.95 56.00 2x38 s SER 359 Cb -0.09 -0.19 0.13 0.00 0.21 0.00 0.00 66.02 66.09 2x38 s SER 359 CO 0.02 -0.26 1.19 -0.44 0.41 0.00 0.00 173.24 174.16 2x38 s SER 360 N -3.43 3.98 0.30 2.44 0.01 0.24 -4.99 113.70 112.25 2x38 s SER 360 Ca 0.28 0.39 -0.19 0.00 1.31 0.00 0.00 55.95 57.73 2x38 s SER 360 Cb 0.02 -0.71 -0.09 0.00 0.21 0.00 0.00 66.02 65.44 2x38 s SER 360 CO 0.11 -2.18 0.80 -0.94 0.41 0.00 0.00 173.24 171.44 2x38 s SER 361 N -4.71 6.99 0.13 2.44 1.04 -1.26 -4.77 113.70 113.55 2x38 s SER 361 Ca 0.67 1.48 -0.31 0.00 0.48 0.00 0.00 55.95 58.27 2x38 s SER 361 Cb -0.07 -2.45 -0.09 0.00 0.10 0.00 0.00 66.02 63.51 2x38 s SER 361 CO 0.49 -0.12 1.55 -1.61 0.98 0.00 0.00 173.24 174.53 2x38 s GLU 362 N -2.51 4.23 -0.03 4.02 2.02 -1.26 -4.73 118.70 120.43 2x38 s GLU 362 Ca 0.51 2.29 0.03 0.00 0.02 0.00 0.00 54.97 57.81 2x38 s GLU 362 Cb -0.14 -3.28 0.01 0.00 0.10 0.00 0.00 34.13 30.82 2x38 s GLU 362 CO 0.19 -0.60 -0.10 0.08 0.02 0.00 0.00 175.26 174.85 2x38 s VAL 363 N 1.50 0.88 0.53 2.63 1.01 -0.47 -4.91 120.40 121.57 2x38 s VAL 363 Ca 0.70 -0.40 -0.19 0.00 0.00 0.00 0.00 61.98 62.09 2x38 s VAL 363 Cb -0.41 -0.79 -0.11 0.00 0.00 0.00 0.00 36.38 35.07 2x38 s VAL 363 CO 0.31 0.28 0.41 0.59 0.00 0.00 0.00 175.10 176.68 2x38 n ASN 364 N 3.41 -1.50 0.28 3.32 3.02 -1.26 0.19 115.26 122.71 2x38 n ASN 364 Ca -0.19 0.76 0.14 0.00 -0.03 0.00 0.00 54.58 55.25 2x38 n ASN 364 Cb 0.53 -1.10 0.86 0.00 -0.61 0.00 0.00 39.78 39.47 2x38 n ASN 364 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 2x38 h VAL 365 N 0.31 0.60 -2.95 2.41 2.07 -0.44 -3.41 116.25 114.85 2x38 h VAL 365 Ca -0.44 0.00 -0.58 0.00 0.82 0.00 0.00 66.70 66.50 2x38 h VAL 365 Cb 1.41 0.98 0.11 0.00 -1.52 0.00 0.00 31.29 32.27 2x38 h VAL 365 CO 0.47 0.00 0.35 0.00 0.02 0.00 0.00 177.57 178.41 2x38 n SER 367 N 0.97 0.00 -2.68 0.00 7.64 -1.26 -4.61 113.62 113.68 2x38 n SER 367 Ca 0.07 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.77 2x38 n SER 367 Cb 0.34 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.59 2x38 n SER 367 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2x38 n GLU 368 N -0.79 -5.30 -1.53 1.43 4.07 -1.26 -4.56 120.64 112.70 2x38 n GLU 368 Ca 0.00 0.65 -0.36 0.00 -0.06 0.00 0.00 57.16 57.39 2x38 n GLU 368 Cb 0.00 -5.08 0.09 0.00 -0.06 0.00 0.00 31.44 26.39 2x38 n GLU 368 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 2x38 s PRO 369 N -5.81 2.24 -0.08 5.31 0.04 -1.05 -4.77 135.00 130.89 2x38 s PRO 369 Ca 0.38 1.94 -0.01 0.00 0.04 0.00 0.00 61.00 63.35 2x38 s PRO 369 Cb -0.17 -1.82 0.03 0.00 0.04 0.00 0.00 34.50 32.58 2x38 s PRO 369 CO 0.46 -1.80 -0.04 0.08 0.04 0.00 0.00 177.00 175.75 2x38 s VAL 370 N -1.68 0.66 -0.18 -0.36 1.01 -1.26 -1.53 120.40 117.06 2x38 s VAL 370 Ca 0.79 -0.08 -0.10 0.00 0.00 0.00 0.00 61.98 62.59 2x38 s VAL 370 Cb -0.34 -0.74 -0.08 0.00 0.00 0.00 0.00 36.38 35.23 2x38 s VAL 370 CO 0.43 0.30 -0.25 0.79 0.00 0.00 0.00 175.10 176.37 2x38 n TRP 371 N 4.87 0.00 -1.62 5.22 8.01 0.23 -4.97 117.44 129.18 2x38 n TRP 371 Ca -0.12 0.00 -0.19 0.00 -1.31 0.00 0.00 57.50 55.88 2x38 n TRP 371 Cb 0.50 -0.64 -0.07 0.00 -2.01 0.00 0.00 31.31 29.09 2x38 n TRP 371 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 2x38 n LYS 372 N -3.92 -1.44 -4.04 -0.99 5.02 -0.69 -4.95 118.16 107.14 2x38 n LYS 372 Ca -0.34 1.09 -0.35 0.00 -2.02 0.00 0.00 58.31 56.69 2x38 n LYS 372 Cb 0.70 -5.46 -0.08 0.00 -0.02 0.00 0.00 35.03 30.17 2x38 n LYS 372 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2x38 s GLN 373 N -3.71 3.55 -0.11 1.97 -1.52 -0.93 -4.95 119.66 113.96 2x38 s GLN 373 Ca 0.00 -0.28 -0.25 0.00 -1.95 0.00 0.00 55.36 52.88 2x38 s GLN 373 Cb 0.00 -3.11 -0.03 0.00 -0.22 0.00 0.00 33.01 29.66 2x38 s GLN 373 CO 0.00 0.56 0.78 1.03 -0.25 0.00 0.00 175.29 177.41 2x38 s ARG 374 N -0.44 4.38 -0.25 2.91 1.81 -1.26 -0.75 118.95 125.36 2x38 s ARG 374 Ca 0.10 0.97 -0.06 0.00 -1.72 0.00 0.00 55.73 55.03 2x38 s ARG 374 Cb -0.12 -3.51 -0.01 0.00 -0.45 0.00 0.00 34.95 30.86 2x38 s ARG 374 CO 0.02 -0.12 0.03 -0.51 -0.68 0.00 0.00 175.30 174.04 2x38 s LEU 375 N 1.40 3.32 -0.07 2.53 1.43 0.17 -4.96 118.68 122.49 2x38 s LEU 375 Ca 0.39 -0.39 0.01 0.00 -1.03 0.00 0.00 54.13 53.11 2x38 s LEU 375 Cb -0.18 -1.84 -0.03 0.00 0.03 0.00 0.00 46.19 44.18 2x38 s LEU 375 CO 0.17 -0.06 -0.10 -0.70 0.23 0.00 0.00 176.35 175.88 2x38 s GLU 376 N 1.54 2.80 -0.02 1.70 2.12 -1.26 -0.22 118.70 125.36 2x38 s GLU 376 Ca 0.05 -0.61 -0.02 0.00 0.36 0.00 0.00 54.97 54.75 2x38 s GLU 376 Cb -0.15 -2.54 -0.04 0.00 0.26 0.00 0.00 34.13 31.65 2x38 s GLU 376 CO 0.01 0.57 0.11 -0.06 -0.54 0.00 0.00 175.26 175.35 2x38 s PHE 377 N -0.57 3.39 -1.31 5.30 0.08 0.46 -4.96 117.98 120.37 2x38 s PHE 377 Ca 0.08 0.29 -0.11 0.00 0.12 0.00 0.00 56.93 57.31 2x38 s PHE 377 Cb -0.12 -1.79 -0.06 0.00 -0.57 0.00 0.00 43.02 40.48 2x38 s PHE 377 CO 0.02 0.60 2.49 -3.47 -0.10 0.00 0.00 175.22 174.75 2x38 n ASP 378 N 1.26 6.21 -3.63 1.36 2.03 -1.26 -3.59 116.55 118.92 2x38 n ASP 378 Ca -0.13 -2.55 -0.12 0.00 0.52 0.00 0.00 54.79 52.50 2x38 n ASP 378 Cb 0.53 -1.40 -0.07 0.00 -0.72 0.00 0.00 41.12 39.46 2x38 n ASP 378 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2x38 s ILE 379 N 2.99 0.00 0.25 5.18 2.07 -1.26 -4.78 121.20 125.65 2x38 s ILE 379 Ca 0.56 0.00 -0.30 0.00 -1.41 0.00 0.00 60.65 59.50 2x38 s ILE 379 Cb 0.15 -1.00 -0.09 0.00 0.13 0.00 0.00 42.46 41.65 2x38 s ILE 379 CO -0.04 0.00 1.20 -0.55 -1.91 0.00 0.00 174.94 173.64 2x38 s SER 380 N 0.75 7.06 0.40 4.50 0.15 -1.26 -0.38 113.70 124.91 2x38 s SER 380 Ca -0.03 2.37 0.12 0.00 0.70 0.00 0.00 55.95 59.11 2x38 s SER 380 Cb -0.05 -2.62 0.94 0.00 -1.71 0.00 0.00 66.02 62.57 2x38 s SER 380 CO -0.05 -0.34 1.91 0.58 1.20 0.00 0.00 173.24 176.54 2x38 h VAL 381 N 3.36 0.84 0.00 4.45 2.07 -1.38 0.16 116.25 125.75 2x38 h VAL 381 Ca -0.46 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 66.87 2x38 h VAL 381 Cb 1.22 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 2x38 h VAL 381 CO 0.70 0.10 0.00 0.00 0.02 0.00 0.00 177.57 178.39 2x38 n ASP 383 N -1.66 0.95 -4.64 0.00 10.43 0.56 -4.65 116.55 117.54 2x38 n ASP 383 Ca 0.04 -0.75 -0.42 0.00 2.57 0.00 0.00 54.79 56.23 2x38 n ASP 383 Cb 0.24 0.33 -0.03 0.00 1.84 0.00 0.00 41.12 43.49 2x38 n ASP 383 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 2x38 s LEU 384 N -2.74 4.04 0.84 0.64 1.43 -1.16 -4.27 118.68 117.46 2x38 s LEU 384 Ca 0.17 2.16 -0.12 0.00 -1.03 0.00 0.00 54.13 55.31 2x38 s LEU 384 Cb 0.18 -3.53 0.09 0.00 0.03 0.00 0.00 46.19 42.97 2x38 s LEU 384 CO 0.63 -1.31 1.10 -2.16 0.23 0.00 0.00 176.35 174.85 2x38 s PRO 385 N 4.92 1.75 0.30 1.29 0.04 -1.26 -4.90 135.00 137.14 2x38 s PRO 385 Ca 0.85 0.61 0.06 0.00 0.04 0.00 0.00 61.00 62.56 2x38 s PRO 385 Cb -0.35 -1.88 0.74 0.00 0.04 0.00 0.00 34.50 33.05 2x38 s PRO 385 CO 0.35 -1.85 1.77 -0.09 0.04 0.00 0.00 177.00 177.22 2x38 h ARG 386 N -1.25 0.69 -0.67 4.56 9.65 -1.95 -0.71 114.38 124.70 2x38 h ARG 386 Ca -0.48 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.36 2x38 h ARG 386 Cb 1.28 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 29.71 2x38 h ARG 386 CO 0.59 0.46 0.00 -1.33 2.80 0.00 0.00 179.97 182.49 2x38 n MET 387 N -4.80 3.61 -1.63 0.20 2.81 -1.26 -4.57 117.12 111.48 2x38 n MET 387 Ca 0.23 -2.27 -0.51 0.00 -1.81 0.00 0.00 57.70 53.34 2x38 n MET 387 Cb 0.59 -1.96 -0.05 0.00 -0.71 0.00 0.00 33.22 31.09 2x38 n MET 387 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2x38 n ALA 388 N 0.58 -0.15 -4.05 3.04 0.00 -0.28 -4.82 120.51 114.84 2x38 n ALA 388 Ca 0.20 0.47 -0.31 0.00 0.00 0.00 0.00 53.44 53.80 2x38 n ALA 388 Cb 0.87 -2.19 -0.16 0.00 0.00 0.00 0.00 19.45 17.97 2x38 n ALA 388 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2x38 s ARG 389 N 1.07 2.49 -0.25 0.00 3.52 -0.82 -1.86 118.95 123.09 2x38 s ARG 389 Ca 0.85 -0.76 -0.16 0.00 -0.13 0.00 0.00 55.73 55.53 2x38 s ARG 389 Cb -0.87 -2.38 -0.04 0.00 -1.56 0.00 0.00 34.95 30.10 2x38 s ARG 389 CO 0.46 -0.28 0.41 -1.17 -0.81 0.00 0.00 175.30 173.91 2x38 s LEU 390 N 1.38 4.08 -0.10 -0.88 2.96 0.78 -0.56 118.68 126.34 2x38 s LEU 390 Ca 0.03 0.42 0.02 0.00 -0.22 0.00 0.00 54.13 54.37 2x38 s LEU 390 Cb -0.14 -2.51 -0.02 0.00 0.50 0.00 0.00 46.19 44.02 2x38 s LEU 390 CO -0.11 -0.17 -0.15 0.00 -1.32 0.00 0.00 176.35 174.60 2x38 s PHE 392 N -0.04 2.55 -0.02 0.00 0.08 -0.01 -1.00 117.98 119.53 2x38 s PHE 392 Ca -0.04 -0.27 0.04 0.00 0.12 0.00 0.00 56.93 56.79 2x38 s PHE 392 Cb -0.14 -1.47 -0.01 0.00 -0.57 0.00 0.00 43.02 40.84 2x38 s PHE 392 CO 0.04 0.23 -0.13 0.00 -0.10 0.00 0.00 175.22 175.26 2x38 s ALA 393 N -0.90 1.15 -0.14 5.36 0.00 0.58 -2.00 121.76 125.81 2x38 s ALA 393 Ca 0.14 -0.54 -0.01 0.00 0.00 0.00 0.00 51.96 51.55 2x38 s ALA 393 Cb -0.10 -0.35 -0.02 0.00 0.00 0.00 0.00 23.12 22.65 2x38 s ALA 393 CO 0.05 0.24 -0.11 -1.17 0.00 0.00 0.00 175.76 174.77 2x38 s LEU 394 N -0.09 2.86 0.22 0.00 0.20 -0.43 -0.87 118.68 120.56 2x38 s LEU 394 Ca 0.01 -0.27 -0.10 0.00 0.69 0.00 0.00 54.13 54.45 2x38 s LEU 394 Cb -0.08 -1.66 -0.01 0.00 -0.43 0.00 0.00 46.19 44.02 2x38 s LEU 394 CO 0.00 0.17 0.39 -0.72 -0.29 0.00 0.00 176.35 175.90 2x38 s TYR 395 N 0.33 0.47 0.11 5.38 -0.85 -0.79 -2.27 117.35 119.72 2x38 s TYR 395 Ca -0.09 -0.81 0.05 0.00 -0.52 0.00 0.00 57.07 55.70 2x38 s TYR 395 Cb -0.15 0.03 -0.04 0.00 0.38 0.00 0.00 41.96 42.18 2x38 s TYR 395 CO 0.05 -0.88 0.00 0.00 -1.52 0.00 0.00 175.55 173.20 2x38 s ALA 396 N -4.02 3.28 -0.03 9.51 0.00 0.08 -1.27 121.76 129.31 2x38 s ALA 396 Ca 0.23 -1.17 -0.12 0.00 0.00 0.00 0.00 51.96 50.91 2x38 s ALA 396 Cb 0.01 -1.16 0.02 0.00 0.00 0.00 0.00 23.12 21.99 2x38 s ALA 396 CO 0.07 0.66 0.25 0.54 0.00 0.00 0.00 175.76 177.28 2x38 s VAL 397 N -1.39 0.05 0.09 0.00 0.11 0.92 -0.85 120.40 119.33 2x38 s VAL 397 Ca 0.26 -0.45 -0.13 0.00 -2.93 0.00 0.00 61.98 58.73 2x38 s VAL 397 Cb -0.11 -0.52 -0.22 0.00 -1.53 0.00 0.00 36.38 34.01 2x38 s VAL 397 CO 0.18 -0.25 1.22 0.58 -3.33 0.00 0.00 175.10 173.51 2x38 h VAL 398 N 4.15 1.29 -3.09 2.04 2.07 -1.97 -1.29 116.25 119.45 2x38 h VAL 398 Ca -0.29 -2.23 -0.66 0.00 0.82 0.00 0.00 66.70 64.33 2x38 h VAL 398 Cb 1.18 2.33 -0.35 0.00 -1.52 0.00 0.00 31.29 32.94 2x38 h VAL 398 CO 0.39 0.69 -0.86 -1.81 0.02 0.00 0.00 177.57 176.00 2x38 s ASP 415 N -7.25 3.07 -0.45 0.57 -0.00 -1.26 -4.73 116.67 106.63 2x38 s ASP 415 Ca -0.09 -0.62 0.03 0.00 -0.00 0.00 0.00 52.55 51.86 2x38 s ASP 415 Cb 0.07 -1.44 0.12 0.00 -0.00 0.00 0.00 42.92 41.68 2x38 s ASP 415 CO 0.91 0.01 0.21 0.00 -0.00 0.00 0.00 175.17 176.30 2x38 s PRO 417 N 0.23 3.36 0.04 0.00 0.02 -1.26 -0.74 135.00 136.65 2x38 s PRO 417 Ca 0.16 2.06 0.00 0.00 0.02 0.00 0.00 61.00 63.23 2x38 s PRO 417 Cb -0.24 -2.30 0.00 0.00 0.02 0.00 0.00 34.50 31.98 2x38 s PRO 417 CO -0.03 -0.96 0.00 -0.89 -0.33 0.00 0.00 177.00 174.79 2x38 n ILE 418 N -0.84 0.20 -3.62 2.83 5.41 -1.06 -4.82 119.36 117.46 2x38 n ILE 418 Ca 0.09 0.07 -0.09 0.00 1.00 0.00 0.00 62.75 63.82 2x38 n ILE 418 Cb 0.46 -1.19 -0.02 0.00 -0.71 0.00 0.00 39.64 38.18 2x38 n ILE 418 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2x38 s ALA 419 N -2.00 -1.47 0.13 -1.39 0.00 -0.96 -1.32 121.76 114.74 2x38 s ALA 419 Ca 0.00 0.20 -0.06 0.00 0.00 0.00 0.00 51.96 52.10 2x38 s ALA 419 Cb 0.00 0.83 -0.02 0.00 0.00 0.00 0.00 23.12 23.93 2x38 s ALA 419 CO 0.00 -0.88 0.17 1.67 0.00 0.00 0.00 175.76 176.72 2x38 s TRP 420 N -3.74 0.50 -0.28 0.00 1.48 -0.40 -1.31 118.94 115.18 2x38 s TRP 420 Ca 0.06 -0.90 -0.19 0.00 -1.06 0.00 0.00 56.10 54.01 2x38 s TRP 420 Cb -0.03 -0.21 0.11 0.00 -1.16 0.00 0.00 33.47 32.18 2x38 s TRP 420 CO -0.04 -0.60 0.87 0.00 -4.06 0.00 0.00 176.95 173.12 2x38 s ALA 421 N -3.97 -2.02 0.06 2.67 0.00 -0.85 -0.82 121.76 116.83 2x38 s ALA 421 Ca 0.16 2.17 0.08 0.00 0.00 0.00 0.00 51.96 54.38 2x38 s ALA 421 Cb 0.05 -1.49 -0.03 0.00 0.00 0.00 0.00 23.12 21.65 2x38 s ALA 421 CO -0.02 -0.33 -0.22 -0.80 0.00 0.00 0.00 175.76 174.38 2x38 s ASN 422 N 1.04 2.70 0.02 0.00 0.01 -1.26 -0.83 114.94 116.62 2x38 s ASN 422 Ca -0.05 -0.58 -0.04 0.00 -0.71 0.00 0.00 52.86 51.47 2x38 s ASN 422 Cb -0.05 -0.21 -0.01 0.00 0.41 0.00 0.00 41.25 41.39 2x38 s ASN 422 CO -0.12 0.16 0.06 -1.48 -1.51 0.00 0.00 177.10 174.21 2x38 s LEU 423 N -1.39 1.89 0.34 0.60 0.05 -0.62 -4.19 118.68 115.36 2x38 s LEU 423 Ca 0.09 -0.43 -0.28 0.00 0.05 0.00 0.00 54.13 53.56 2x38 s LEU 423 Cb -0.09 0.44 -0.09 0.00 -2.05 0.00 0.00 46.19 44.39 2x38 s LEU 423 CO 0.03 -0.39 1.21 -0.04 -0.55 0.00 0.00 176.35 176.60 2x38 s MET 424 N -1.84 4.33 0.14 1.48 -1.94 -1.26 -0.16 119.30 120.05 2x38 s MET 424 Ca -0.12 1.99 0.05 0.00 -1.71 0.00 0.00 55.69 55.90 2x38 s MET 424 Cb -0.06 -2.97 -0.13 0.00 2.01 0.00 0.00 34.83 33.68 2x38 s MET 424 CO -0.01 -0.13 1.31 -0.07 -0.01 0.00 0.00 175.02 176.11 2x38 h LEU 425 N 3.25 0.10 -9.74 -0.03 3.38 -1.71 -3.43 115.31 107.13 2x38 h LEU 425 Ca -0.48 -0.10 -0.65 0.00 0.09 0.00 0.00 57.88 56.74 2x38 h LEU 425 Cb 1.23 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.88 2x38 h LEU 425 CO 0.65 1.01 -0.49 -0.36 0.09 0.00 0.00 178.44 179.34 2x38 s PHE 426 N -2.88 3.57 0.78 1.13 0.08 -1.26 -0.31 117.98 119.08 2x38 s PHE 426 Ca -0.01 0.42 -0.04 0.00 0.12 0.00 0.00 56.93 57.43 2x38 s PHE 426 Cb 0.10 -1.87 0.15 0.00 -0.57 0.00 0.00 43.02 40.82 2x38 s PHE 426 CO 0.82 0.68 1.07 0.16 -0.10 0.00 0.00 175.22 177.86 2x38 s ASP 427 N -1.59 4.06 0.00 1.36 1.47 -0.60 -4.94 116.67 116.42 2x38 s ASP 427 Ca 0.23 -0.26 0.04 0.00 1.18 0.00 0.00 52.55 53.74 2x38 s ASP 427 Cb -0.12 -0.03 0.19 0.00 -0.34 0.00 0.00 42.92 42.61 2x38 s ASP 427 CO 0.13 -2.07 0.97 0.00 0.68 0.00 0.00 175.17 174.88 2x38 n TYR 428 N -3.04 0.00 -1.14 2.11 4.11 -1.26 -1.33 117.16 116.61 2x38 n TYR 428 Ca 0.15 0.00 0.05 0.00 -0.00 0.00 0.00 57.90 58.11 2x38 n TYR 428 Cb 0.60 -0.32 0.22 0.00 -0.00 0.00 0.00 39.34 39.85 2x38 n TYR 428 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 2x38 n LYS 429 N -1.32 2.35 -0.97 -3.48 4.76 -1.26 -4.96 118.16 113.29 2x38 n LYS 429 Ca 0.02 -2.90 0.00 0.00 -2.87 0.00 0.00 58.31 52.55 2x38 n LYS 429 Cb 0.03 -1.78 0.00 0.00 -1.84 0.00 0.00 35.03 31.44 2x38 n LYS 429 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2x38 n ASP 430 N -0.83 -3.74 -4.75 4.39 8.00 -0.44 -4.90 116.55 114.27 2x38 n ASP 430 Ca 0.24 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.36 2x38 n ASP 430 Cb 0.89 -1.78 -0.06 0.00 -0.02 0.00 0.00 41.12 40.15 2x38 n ASP 430 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 2x38 s GLN 431 N -0.86 4.23 0.12 -1.24 0.74 -1.26 0.13 119.66 121.53 2x38 s GLN 431 Ca 0.00 0.45 -0.31 0.00 0.05 0.00 0.00 55.36 55.55 2x38 s GLN 431 Cb 0.00 -3.37 -0.10 0.00 1.10 0.00 0.00 33.01 30.64 2x38 s GLN 431 CO 0.00 0.32 1.68 -1.17 -0.55 0.00 0.00 175.29 175.57 2x38 s LEU 432 N 0.09 4.38 0.21 3.68 2.96 -0.62 -1.56 118.68 127.82 2x38 s LEU 432 Ca 0.25 2.63 -0.30 0.00 -0.22 0.00 0.00 54.13 56.49 2x38 s LEU 432 Cb -0.16 -3.58 -0.08 0.00 0.50 0.00 0.00 46.19 42.87 2x38 s LEU 432 CO 0.11 -0.91 1.18 -0.54 -1.32 0.00 0.00 176.35 174.88 2x38 s LYS 433 N 2.10 4.52 0.15 1.98 1.02 0.58 -4.79 119.74 125.30 2x38 s LYS 433 Ca 0.75 1.88 -0.16 0.00 0.02 0.00 0.00 55.97 58.45 2x38 s LYS 433 Cb -0.43 -3.22 0.03 0.00 -0.52 0.00 0.00 37.83 33.68 2x38 s LYS 433 CO 0.33 -0.03 0.43 0.95 -0.92 0.00 0.00 175.35 176.11 2x38 s THR 434 N -0.34 0.05 -0.02 2.17 -4.23 -1.26 -4.70 115.64 107.31 2x38 s THR 434 Ca 0.51 -0.73 -0.03 0.00 -1.18 0.00 0.00 61.69 60.26 2x38 s THR 434 Cb -0.33 -1.38 -0.01 0.00 1.34 0.00 0.00 72.50 72.12 2x38 s THR 434 CO 0.38 -0.24 -0.06 0.61 -0.54 0.00 0.00 174.62 174.77 2x38 n GLY 435 N -0.27 -0.29 3.85 3.99 0.00 -1.26 -5.02 105.19 106.20 2x38 n GLY 435 Ca -0.13 -0.06 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 2x38 n GLY 435 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2x38 s GLU 436 N -1.44 3.91 -0.06 1.61 2.12 -1.26 0.22 118.70 123.80 2x38 s GLU 436 Ca -0.05 0.40 -0.03 0.00 0.36 0.00 0.00 54.97 55.64 2x38 s GLU 436 Cb 0.01 -2.86 0.03 0.00 0.26 0.00 0.00 34.13 31.56 2x38 s GLU 436 CO 0.08 0.44 0.14 1.03 -0.54 0.00 0.00 175.26 176.41 2x38 s ARG 437 N -2.18 0.12 -0.26 4.30 3.00 -0.26 -4.94 118.95 118.72 2x38 s ARG 437 Ca 0.40 0.31 -0.11 0.00 0.00 0.00 0.00 55.73 56.33 2x38 s ARG 437 Cb -0.14 -0.09 -0.05 0.00 0.00 0.00 0.00 34.95 34.67 2x38 s ARG 437 CO 0.20 -0.12 0.17 0.00 0.00 0.00 0.00 175.30 175.55 2x38 s LEU 439 N 1.36 5.02 -0.42 0.00 1.43 0.18 -4.90 118.68 121.36 2x38 s LEU 439 Ca 0.07 -1.44 -0.29 0.00 -1.03 0.00 0.00 54.13 51.44 2x38 s LEU 439 Cb -0.15 -1.97 0.01 0.00 0.03 0.00 0.00 46.19 44.12 2x38 s LEU 439 CO 0.07 -0.50 1.37 -0.31 0.23 0.00 0.00 176.35 177.22 2x38 s TYR 440 N 1.42 2.46 0.23 0.29 2.02 -1.26 -0.92 117.35 121.59 2x38 s TYR 440 Ca 0.03 0.69 -0.15 0.00 -0.37 0.00 0.00 57.07 57.26 2x38 s TYR 440 Cb -0.22 -4.31 -0.08 0.00 -0.40 0.00 0.00 41.96 36.95 2x38 s TYR 440 CO 0.02 -1.88 0.64 -1.64 -1.57 0.00 0.00 175.55 171.12 2x38 s MET 441 N 4.84 4.02 -0.09 -0.62 -1.94 0.27 -0.47 119.30 125.32 2x38 s MET 441 Ca 0.59 0.59 -0.19 0.00 -1.71 0.00 0.00 55.69 54.97 2x38 s MET 441 Cb -0.13 -2.74 -0.04 0.00 2.01 0.00 0.00 34.83 33.93 2x38 s MET 441 CO 0.32 0.34 0.52 -1.58 -0.01 0.00 0.00 175.02 174.61 2x38 s TRP 442 N -1.68 3.56 0.41 -0.03 0.52 0.00 -4.24 118.94 117.47 2x38 s TRP 442 Ca 0.45 0.98 -0.26 0.00 0.02 0.00 0.00 56.10 57.29 2x38 s TRP 442 Cb -0.13 -2.58 -0.09 0.00 -1.15 0.00 0.00 33.47 29.52 2x38 s TRP 442 CO 0.20 0.21 1.37 -1.25 0.02 0.00 0.00 176.95 177.49 2x38 s PRO 443 N 0.45 3.92 0.78 4.98 0.04 -1.26 -1.28 135.00 142.63 2x38 s PRO 443 Ca 0.28 2.30 -0.12 0.00 0.04 0.00 0.00 61.00 63.50 2x38 s PRO 443 Cb -0.16 -2.77 0.06 0.00 0.04 0.00 0.00 34.50 31.67 2x38 s PRO 443 CO 0.12 -0.59 1.14 -1.12 0.04 0.00 0.00 177.00 176.59 2x38 s SER 444 N -0.57 4.72 0.00 6.66 0.01 -0.44 -4.86 113.70 119.23 2x38 s SER 444 Ca 0.57 0.99 0.00 0.00 1.31 0.00 0.00 55.95 58.82 2x38 s SER 444 Cb -0.41 -1.63 0.00 0.00 0.21 0.00 0.00 66.02 64.19 2x38 s SER 444 CO 0.53 -1.79 0.66 0.55 0.41 0.00 0.00 173.24 173.61 2x38 n VAL 445 N -3.27 0.00 -0.11 3.43 3.14 -1.26 -5.00 118.33 115.25 2x38 n VAL 445 Ca 0.07 1.16 -0.24 0.00 -2.96 0.00 0.00 64.34 62.37 2x38 n VAL 445 Cb 0.59 -2.16 -0.08 0.00 -1.06 0.00 0.00 33.84 31.13 2x38 n VAL 445 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 2x38 n LEU 452 N -0.99 1.61 -4.76 6.55 7.99 -1.26 -5.18 117.00 120.95 2x38 n LEU 452 Ca 0.00 0.27 -0.40 0.00 -0.01 0.00 0.00 56.01 55.87 2x38 n LEU 452 Cb 0.00 -0.66 -0.06 0.00 -0.11 0.00 0.00 43.42 42.59 2x38 n LEU 452 CO 0.00 0.48 0.51 -0.76 -1.51 0.00 0.00 177.39 176.10 2x38 s LEU 453 N -7.20 4.54 -0.62 2.23 1.02 -1.26 -4.72 118.68 112.67 2x38 s LEU 453 Ca -0.31 1.62 0.06 0.00 0.02 0.00 0.00 54.13 55.52 2x38 s LEU 453 Cb 0.12 -3.32 0.24 0.00 0.02 0.00 0.00 46.19 43.24 2x38 s LEU 453 CO 0.40 0.12 0.68 -3.20 0.02 0.00 0.00 176.35 174.37 2x38 n ASN 454 N 2.08 3.24 -0.24 2.29 5.15 -1.26 -4.95 115.26 121.57 2x38 n ASN 454 Ca -0.04 -3.32 0.00 0.00 -0.60 0.00 0.00 54.58 50.63 2x38 n ASN 454 Cb 0.49 -0.68 0.13 0.00 -0.53 0.00 0.00 39.78 39.19 2x38 n ASN 454 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 2x38 h PRO 455 N 4.35 0.63 0.00 1.20 0.11 -1.96 -1.41 132.00 134.92 2x38 h PRO 455 Ca 0.18 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.25 2x38 h PRO 455 Cb 0.70 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.67 2x38 h PRO 455 CO 0.78 0.42 0.00 0.00 -0.21 0.00 0.00 178.00 178.99 2x38 h ALA 456 N 1.40 1.00 -2.76 -0.75 0.00 -1.92 -3.45 119.26 112.77 2x38 h ALA 456 Ca 0.34 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.71 2x38 h ALA 456 Cb 0.30 0.00 0.15 0.00 0.00 0.00 0.00 17.79 18.23 2x38 h ALA 456 CO -0.23 0.00 0.42 0.20 0.00 0.00 0.00 179.25 179.64 2x38 s GLY 457 N -3.94 2.48 0.77 0.00 0.00 -0.53 -4.88 107.32 101.21 2x38 s GLY 457 Ca 0.02 0.93 -0.16 0.00 0.00 0.00 0.00 44.72 45.51 2x38 s GLY 457 CO 0.47 1.34 0.44 -0.37 0.00 0.00 0.00 173.10 174.98 2x38 n THR 458 N -2.40 1.36 -0.46 0.90 5.66 -1.26 -4.89 114.28 113.19 2x38 n THR 458 Ca 0.14 -0.37 0.11 0.00 -3.05 0.00 0.00 64.05 60.88 2x38 n THR 458 Cb 0.50 -0.67 0.34 0.00 -1.55 0.00 0.00 70.33 68.95 2x38 n THR 458 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 175.07 173.35 2x38 n VAL 459 N -2.57 1.28 -4.20 1.08 0.24 -1.26 -4.19 118.33 108.70 2x38 n VAL 459 Ca 0.09 -1.06 -0.29 0.00 -2.04 0.00 0.00 64.34 61.03 2x38 n VAL 459 Cb 0.51 0.38 -0.09 0.00 -1.47 0.00 0.00 33.84 33.16 2x38 n VAL 459 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 2x38 s ARG 460 N -1.28 2.23 0.71 7.34 3.52 -1.26 -4.49 118.95 125.73 2x38 s ARG 460 Ca 0.51 -1.00 -0.11 0.00 -0.13 0.00 0.00 55.73 55.00 2x38 s ARG 460 Cb 0.28 -2.35 0.02 0.00 -1.56 0.00 0.00 34.95 31.34 2x38 s ARG 460 CO 0.31 0.51 1.07 0.20 -0.81 0.00 0.00 175.30 176.57 2x38 s GLY 461 N -2.31 1.67 0.15 8.12 0.00 -1.26 -4.88 107.32 108.80 2x38 s GLY 461 Ca 0.23 0.10 -0.31 0.00 0.00 0.00 0.00 44.72 44.73 2x38 s GLY 461 CO 0.15 0.42 1.74 0.21 0.00 0.00 0.00 173.10 175.62 2x38 s ASN 462 N -3.74 6.46 0.47 1.64 3.84 0.38 -4.91 114.94 119.07 2x38 s ASN 462 Ca 0.59 2.74 0.26 0.00 0.21 0.00 0.00 52.86 56.66 2x38 s ASN 462 Cb -0.14 -2.58 1.00 0.00 -0.55 0.00 0.00 41.25 38.97 2x38 s ASN 462 CO 0.55 -0.95 1.85 1.55 -2.79 0.00 0.00 177.10 177.31 2x38 h PRO 463 N 7.78 0.00 -4.73 0.43 0.13 -1.90 -3.37 132.00 130.34 2x38 h PRO 463 Ca -0.44 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 63.99 2x38 h PRO 463 Cb 1.21 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.27 2x38 h PRO 463 CO 0.94 0.15 2.64 -1.71 -0.23 0.00 0.00 178.00 179.80 2x38 n ASN 464 N -3.29 4.41 0.25 1.44 5.15 -1.26 -4.71 115.26 117.25 2x38 n ASN 464 Ca 0.01 -2.89 0.13 0.00 -0.60 0.00 0.00 54.58 51.23 2x38 n ASN 464 Cb 0.41 -1.68 0.55 0.00 -0.53 0.00 0.00 39.78 38.52 2x38 n ASN 464 CO 0.00 0.00 0.00 0.71 1.40 0.00 0.00 177.26 179.37 2x38 h THR 465 N 4.63 0.28 -0.11 -0.44 1.35 -1.92 -0.01 112.91 116.69 2x38 h THR 465 Ca 0.50 -0.84 0.02 0.00 -0.55 0.00 0.00 66.41 65.55 2x38 h THR 465 Cb 0.74 1.66 -0.02 0.00 -1.73 0.00 0.00 68.15 68.80 2x38 h THR 465 CO 1.68 0.11 -0.04 -0.08 -0.25 0.00 0.00 175.52 176.94 2x38 h GLU 466 N 0.00 -0.03 0.00 4.72 4.81 -1.96 -3.36 114.58 118.76 2x38 h GLU 466 Ca -0.00 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.11 2x38 h GLU 466 Cb 0.65 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.01 2x38 h GLU 466 CO 0.01 -0.02 -1.80 0.45 -0.73 0.00 0.00 179.01 176.93 2x38 n SER 467 N -5.17 1.67 -4.77 1.04 2.88 -1.14 -5.01 113.62 103.12 2x38 n SER 467 Ca -0.04 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.10 2x38 n SER 467 Cb 0.10 1.25 0.01 0.00 -0.75 0.00 0.00 64.21 64.82 2x38 n SER 467 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2x38 s ALA 468 N -2.67 3.27 0.49 -1.46 0.00 -0.03 -5.00 121.76 116.37 2x38 s ALA 468 Ca -0.06 1.43 -0.23 0.00 0.00 0.00 0.00 51.96 53.09 2x38 s ALA 468 Cb 0.07 -3.57 -0.07 0.00 0.00 0.00 0.00 23.12 19.55 2x38 s ALA 468 CO 0.58 -1.10 1.32 0.00 0.00 0.00 0.00 175.76 176.56 2x38 s ALA 469 N -1.21 3.00 -0.06 0.00 0.00 -1.26 -4.82 121.76 117.41 2x38 s ALA 469 Ca 0.59 1.27 -0.01 0.00 0.00 0.00 0.00 51.96 53.81 2x38 s ALA 469 Cb -0.43 -3.52 0.03 0.00 0.00 0.00 0.00 23.12 19.20 2x38 s ALA 469 CO 0.55 -1.11 -0.01 0.00 0.00 0.00 0.00 175.76 175.19 2x38 s ALA 470 N -1.32 0.64 -0.22 0.00 0.00 -1.26 0.97 121.76 120.57 2x38 s ALA 470 Ca 0.66 -0.07 -0.06 0.00 0.00 0.00 0.00 51.96 52.49 2x38 s ALA 470 Cb -0.38 -0.61 -0.03 0.00 0.00 0.00 0.00 23.12 22.10 2x38 s ALA 470 CO 0.47 -0.30 0.04 -0.51 0.00 0.00 0.00 175.76 175.46 2x38 s LEU 471 N 1.59 3.44 -0.20 0.00 1.43 -0.10 -2.54 118.68 122.31 2x38 s LEU 471 Ca -0.01 -0.15 -0.14 0.00 -1.03 0.00 0.00 54.13 52.80 2x38 s LEU 471 Cb -0.13 -1.89 -0.04 0.00 0.03 0.00 0.00 46.19 44.15 2x38 s LEU 471 CO -0.03 0.04 0.30 0.68 0.23 0.00 0.00 176.35 177.57 2x38 s VAL 472 N 1.13 5.27 0.28 -1.59 -7.23 0.68 0.50 120.40 119.44 2x38 s VAL 472 Ca 0.04 0.52 0.06 0.00 -1.81 0.00 0.00 61.98 60.79 2x38 s VAL 472 Cb -0.14 -3.64 -0.06 0.00 0.56 0.00 0.00 36.38 33.10 2x38 s VAL 472 CO 0.03 0.32 -0.04 0.27 -0.31 0.00 0.00 175.10 175.36 2x38 s ILE 473 N 0.98 1.51 -0.16 -0.62 -4.36 -0.12 -1.31 121.20 117.12 2x38 s ILE 473 Ca 0.15 -2.10 0.00 0.00 -0.26 0.00 0.00 60.65 58.45 2x38 s ILE 473 Cb -0.14 -2.46 0.03 0.00 1.25 0.00 0.00 42.46 41.13 2x38 s ILE 473 CO 0.06 -0.28 -0.13 -0.47 0.24 0.00 0.00 174.94 174.35 2x38 s TYR 474 N -3.10 2.20 -0.08 1.37 5.04 0.11 -1.11 117.35 121.79 2x38 s TYR 474 Ca 0.30 -1.28 -0.24 0.00 -2.44 0.00 0.00 57.07 53.40 2x38 s TYR 474 Cb 0.05 -1.60 -0.03 0.00 0.35 0.00 0.00 41.96 40.72 2x38 s TYR 474 CO 0.12 -0.68 0.75 -0.51 -1.34 0.00 0.00 175.55 173.88 2x38 s LEU 475 N 1.47 4.30 0.20 6.97 1.02 0.60 -2.00 118.68 131.24 2x38 s LEU 475 Ca 0.04 1.23 -0.26 0.00 0.02 0.00 0.00 54.13 55.16 2x38 s LEU 475 Cb -0.13 -3.16 -0.08 0.00 0.02 0.00 0.00 46.19 42.84 2x38 s LEU 475 CO -0.10 -0.18 0.82 -2.16 0.02 0.00 0.00 176.35 174.75 2x38 s PRO 476 N 1.06 4.60 -1.22 1.29 0.04 -1.26 -4.14 135.00 135.37 2x38 s PRO 476 Ca 0.39 1.22 -0.20 0.00 0.04 0.00 0.00 61.00 62.45 2x38 s PRO 476 Cb -0.18 -3.18 0.02 0.00 0.04 0.00 0.00 34.50 31.20 2x38 s PRO 476 CO 0.18 0.51 1.77 -1.83 0.04 0.00 0.00 177.00 177.68 2x38 s GLU 477 N -1.33 3.46 0.00 4.56 -1.05 -1.26 -4.81 118.70 118.27 2x38 s GLU 477 Ca 0.39 -1.58 0.00 0.00 -0.15 0.00 0.00 54.97 53.63 2x38 s GLU 477 Cb -0.23 -5.41 0.00 0.00 -0.44 0.00 0.00 34.13 28.05 2x38 s GLU 477 CO 0.27 -2.79 0.62 1.33 0.95 0.00 0.00 175.26 175.63 2x38 n VAL 478 N 6.92 0.75 0.00 1.83 0.24 -1.26 -5.12 118.33 121.69 2x38 n VAL 478 Ca 0.46 0.34 0.00 0.00 -2.04 0.00 0.00 64.34 63.10 2x38 n VAL 478 Cb 0.47 -1.34 0.00 0.00 -1.47 0.00 0.00 33.84 31.49 2x38 n VAL 478 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2x38 n ALA 479 N -1.12 0.18 -1.62 2.33 0.00 -1.26 -5.05 120.51 113.97 2x38 n ALA 479 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 53.44 52.95 2x38 n ALA 479 Cb 0.16 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.56 2x38 n ALA 479 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2x38 n PRO 482 N 0.00 1.50 -3.84 0.00 -0.02 -1.26 -5.24 135.00 126.14 2x38 n PRO 482 Ca 0.00 0.54 -0.29 0.00 -2.02 0.00 0.00 63.50 61.73 2x38 n PRO 482 Cb 0.00 -2.19 -0.16 0.00 -0.02 0.00 0.00 33.50 31.13 2x38 n PRO 482 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2x38 s VAL 483 N 0.43 1.02 0.24 -1.45 -7.23 -1.26 -4.97 120.40 107.18 2x38 s VAL 483 Ca 0.79 -0.84 -0.02 0.00 -1.81 0.00 0.00 61.98 60.10 2x38 s VAL 483 Cb -0.84 -1.38 -0.04 0.00 0.56 0.00 0.00 36.38 34.68 2x38 s VAL 483 CO 0.46 -0.12 0.45 -0.31 -0.31 0.00 0.00 175.10 175.27 2x38 s TYR 484 N 1.63 3.48 0.24 2.82 2.02 -1.26 -1.58 117.35 124.71 2x38 s TYR 484 Ca -0.03 0.43 -0.30 0.00 -0.37 0.00 0.00 57.07 56.80 2x38 s TYR 484 Cb -0.18 -1.93 -0.10 0.00 -0.40 0.00 0.00 41.96 39.36 2x38 s TYR 484 CO -0.07 0.30 1.40 0.12 -1.57 0.00 0.00 175.55 175.73 2x38 s PHE 485 N -1.96 3.08 0.61 2.71 2.19 0.12 -4.17 117.98 120.56 2x38 s PHE 485 Ca 0.40 1.10 -0.19 0.00 0.33 0.00 0.00 56.93 58.57 2x38 s PHE 485 Cb -0.11 -3.76 -0.02 0.00 -1.31 0.00 0.00 43.02 37.82 2x38 s PHE 485 CO 0.30 -2.43 1.33 -2.14 1.83 0.00 0.00 175.22 174.10 2x38 s PRO 486 N -0.41 2.73 0.86 10.12 0.02 -1.26 -4.99 135.00 142.07 2x38 s PRO 486 Ca 0.58 2.15 -0.12 0.00 0.02 0.00 0.00 61.00 63.63 2x38 s PRO 486 Cb -0.40 -1.98 0.10 0.00 0.02 0.00 0.00 34.50 32.24 2x38 s PRO 486 CO 0.43 -1.48 1.10 0.00 -0.33 0.00 0.00 177.00 176.72 2x38 s ALA 487 N -1.35 1.89 0.23 -1.55 0.00 -1.26 -4.78 121.76 114.94 2x38 s ALA 487 Ca 0.79 -0.23 -0.08 0.00 0.00 0.00 0.00 51.96 52.45 2x38 s ALA 487 Cb -0.39 -3.12 0.26 0.00 0.00 0.00 0.00 23.12 19.87 2x38 s ALA 487 CO 0.43 -2.07 1.86 1.25 0.00 0.00 0.00 175.76 177.23 2x38 h LEU 488 N -1.34 0.82 -1.89 0.00 5.85 -1.97 0.13 115.31 116.91 2x38 h LEU 488 Ca -0.49 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.22 2x38 h LEU 488 Cb 1.29 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 42.14 2x38 h LEU 488 CO 0.58 0.55 -0.09 1.05 -0.34 0.00 0.00 178.44 180.19 2x38 h GLU 489 N 0.96 0.00 0.10 1.25 4.11 -1.97 1.73 114.58 120.75 2x38 h GLU 489 Ca 0.33 0.00 -0.28 0.00 0.07 0.00 0.00 59.36 59.48 2x38 h GLU 489 Cb 0.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2x38 h GLU 489 CO -0.13 0.09 -1.38 0.87 0.07 0.00 0.00 179.01 178.53 2x38 h LYS 490 N 0.00 0.21 0.26 1.06 1.79 -1.72 -1.61 116.57 116.56 2x38 h LYS 490 Ca -0.00 -0.35 -0.01 0.00 -2.18 0.00 0.00 60.65 58.11 2x38 h LYS 490 Cb 0.17 0.13 0.00 0.00 -1.58 0.00 0.00 32.23 30.96 2x38 h LYS 490 CO 0.01 1.09 -0.12 0.82 -1.08 0.00 0.00 179.45 180.17 2x38 h ILE 491 N 0.06 0.79 -0.82 1.86 1.08 0.11 -2.42 117.51 118.17 2x38 h ILE 491 Ca -0.18 -0.42 0.08 0.00 -0.39 0.00 0.00 64.86 63.94 2x38 h ILE 491 Cb 1.97 1.03 -0.07 0.00 -3.07 0.00 0.00 36.82 36.68 2x38 h ILE 491 CO 0.16 0.09 0.49 -0.07 -0.69 0.00 0.00 178.15 178.13 2x38 h LEU 492 N -0.57 0.73 -0.44 1.44 3.38 0.24 -1.00 115.31 119.09 2x38 h LEU 492 Ca -0.04 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.05 2x38 h LEU 492 Cb 0.42 -0.11 -0.10 0.00 0.09 0.00 0.00 40.66 40.96 2x38 h LEU 492 CO 0.06 0.45 -0.35 -0.33 0.09 0.00 0.00 178.44 178.35 2x38 h GLU 493 N 0.85 -0.24 0.00 1.13 5.08 -1.25 -3.49 114.58 116.66 2x38 h GLU 493 Ca 0.38 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.75 2x38 h GLU 493 Cb 0.26 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2x38 h GLU 493 CO -0.21 -0.16 0.00 -0.11 -1.00 0.00 0.00 179.01 177.53 2x38 n LEU 494 N -5.42 0.00 0.00 1.33 7.94 -0.38 -5.08 117.00 115.38 2x38 n LEU 494 Ca 0.01 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.91 2x38 n LEU 494 Cb 0.34 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.29 2x38 n LEU 494 CO 0.05 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 176.33 2x38 n LEU 511 N 0.00 0.00 -0.07 -1.96 -0.00 -1.26 -4.92 117.00 108.79 2x38 n LEU 511 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 56.01 55.81 2x38 n LEU 511 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 43.42 43.29 2x38 n LEU 511 CO 0.00 0.00 -1.10 0.54 -0.00 0.00 0.00 177.39 176.83 2x38 n ARG 512 N 0.00 0.70 -0.17 1.47 5.12 -1.26 -4.43 116.66 118.09 2x38 n ARG 512 Ca 0.00 0.21 -0.00 0.00 -1.93 0.00 0.00 57.85 56.13 2x38 n ARG 512 Cb 0.00 -1.61 0.25 0.00 -1.16 0.00 0.00 32.46 29.94 2x38 n ARG 512 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 2x38 h GLU 513 N -0.00 0.90 -0.27 5.56 5.08 -2.04 -3.25 114.58 120.55 2x38 h GLU 513 Ca -0.51 -0.09 0.06 0.00 -1.00 0.00 0.00 59.36 57.83 2x38 h GLU 513 Cb 1.95 -0.19 -0.08 0.00 0.50 0.00 0.00 28.75 30.93 2x38 h GLU 513 CO -0.02 0.65 -0.31 0.97 -1.00 0.00 0.00 179.01 179.30 2x38 h ILE 514 N 0.92 0.28 0.00 3.13 6.09 -2.06 -0.04 117.51 125.83 2x38 h ILE 514 Ca 0.24 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.73 2x38 h ILE 514 Cb -0.00 0.28 0.00 0.00 0.47 0.00 0.00 36.82 37.57 2x38 h ILE 514 CO -0.04 0.00 0.00 0.17 -3.07 0.00 0.00 178.15 175.21 2x38 h LEU 515 N -0.31 0.00 -5.45 2.19 8.10 -1.83 -3.37 115.31 114.65 2x38 h LEU 515 Ca 0.14 0.00 -0.71 0.00 0.11 0.00 0.00 57.88 57.42 2x38 h LEU 515 Cb 0.53 0.00 -0.10 0.00 -0.44 0.00 0.00 40.66 40.64 2x38 h LEU 515 CO -0.44 0.00 2.45 1.21 -4.11 0.00 0.00 178.44 177.55 2x38 n GLU 516 N -3.07 4.29 -1.41 0.17 2.13 -0.03 -5.05 120.64 117.68 2x38 n GLU 516 Ca 0.01 -3.17 -0.01 0.00 0.66 0.00 0.00 57.16 54.65 2x38 n GLU 516 Cb 0.34 -2.61 0.02 0.00 0.27 0.00 0.00 31.44 29.45 2x38 n GLU 516 CO 0.00 0.00 0.00 2.89 -0.41 0.00 0.00 177.13 179.61 2x38 n ARG 517 N 1.94 0.27 -0.05 5.31 0.00 -1.26 -4.97 116.66 117.89 2x38 n ARG 517 Ca 0.64 -0.35 0.00 0.00 -0.00 0.00 0.00 57.85 58.13 2x38 n ARG 517 Cb 0.27 0.27 0.00 0.00 -0.00 0.00 0.00 32.46 33.01 2x38 n ARG 517 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2x38 n GLU 522 N -0.30 0.00 -3.89 2.89 1.02 -1.26 -5.21 120.64 113.90 2x38 n GLU 522 Ca -0.07 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 56.96 2x38 n GLU 522 Cb 0.53 -0.02 -0.10 0.00 -0.02 0.00 0.00 31.44 31.83 2x38 n GLU 522 CO 0.00 0.00 0.00 -0.48 1.18 0.00 0.00 177.13 177.83 2x38 s LEU 523 N -0.02 1.67 0.87 -4.62 2.34 -1.26 -5.16 118.68 112.50 2x38 s LEU 523 Ca 0.00 -0.20 -0.12 0.00 0.06 0.00 0.00 54.13 53.87 2x38 s LEU 523 Cb 0.00 0.54 0.11 0.00 -0.56 0.00 0.00 46.19 46.28 2x38 s LEU 523 CO 0.00 -0.32 1.10 -0.31 -1.06 0.00 0.00 176.35 175.76 2x38 s TYR 524 N -1.22 2.50 0.08 3.48 2.02 -1.26 -4.81 117.35 118.14 2x38 s TYR 524 Ca -0.13 1.16 -0.28 0.00 -0.37 0.00 0.00 57.07 57.45 2x38 s TYR 524 Cb -0.07 -3.18 -0.17 0.00 -0.40 0.00 0.00 41.96 38.14 2x38 s TYR 524 CO 0.01 -2.21 1.66 1.49 -1.57 0.00 0.00 175.55 174.93 2x38 h GLU 525 N -1.40 -0.44 -0.54 -0.62 4.57 -2.02 -0.85 114.58 113.28 2x38 h GLU 525 Ca -0.49 0.03 0.08 0.00 -1.18 0.00 0.00 59.36 57.80 2x38 h GLU 525 Cb 1.29 0.10 -0.06 0.00 -0.16 0.00 0.00 28.75 29.91 2x38 h GLU 525 CO 0.57 -0.28 0.18 1.12 -1.18 0.00 0.00 179.01 179.42 2x38 h HIS 526 N -0.48 0.32 -0.74 0.92 2.07 -1.99 0.25 115.15 115.50 2x38 h HIS 526 Ca -0.05 0.03 0.14 0.00 -2.85 0.00 0.00 60.37 57.64 2x38 h HIS 526 Cb 0.37 -0.06 -0.09 0.00 2.57 0.00 0.00 27.41 30.19 2x38 h HIS 526 CO -0.05 0.09 0.30 0.93 -3.07 0.00 0.00 177.93 176.13 2x38 h GLU 527 N 0.36 0.43 -0.29 5.12 5.08 -1.85 -0.42 114.58 123.02 2x38 h GLU 527 Ca 0.26 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.64 2x38 h GLU 527 Cb 0.31 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.42 2x38 h GLU 527 CO -0.28 0.29 0.06 0.87 -1.00 0.00 0.00 179.01 178.95 2x38 h LYS 528 N 0.45 0.16 -0.99 2.33 1.57 0.45 -2.48 116.57 118.06 2x38 h LYS 528 Ca 0.40 -0.01 0.14 0.00 -1.87 0.00 0.00 60.65 59.32 2x38 h LYS 528 Cb 0.60 -0.04 -0.09 0.00 0.08 0.00 0.00 32.23 32.78 2x38 h LYS 528 CO -0.39 0.11 0.62 -0.44 -0.57 0.00 0.00 179.45 178.77 2x38 h ASP 529 N 0.17 0.84 -0.24 0.86 3.32 0.24 -1.95 116.42 119.66 2x38 h ASP 529 Ca 0.13 0.06 -0.08 0.00 0.02 0.00 0.00 57.03 57.17 2x38 h ASP 529 Cb 0.14 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 2x38 h ASP 529 CO -0.17 0.40 -0.15 0.25 -1.72 0.00 0.00 179.24 177.86 2x38 h LEU 530 N 0.88 0.54 -0.57 1.55 7.12 -0.93 -0.97 115.31 122.93 2x38 h LEU 530 Ca 0.51 -0.43 0.07 0.00 0.13 0.00 0.00 57.88 58.17 2x38 h LEU 530 Cb 0.65 -0.15 -0.06 0.00 -0.53 0.00 0.00 40.66 40.57 2x38 h LEU 530 CO -0.29 0.85 0.24 0.58 -0.13 0.00 0.00 178.44 179.70 2x38 h VAL 531 N 0.23 0.85 0.29 1.05 2.07 -1.08 -0.45 116.25 119.21 2x38 h VAL 531 Ca 0.05 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 2x38 h VAL 531 Cb 0.66 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 2x38 h VAL 531 CO 0.04 0.08 -0.14 -0.25 0.02 0.00 0.00 177.57 177.32 2x38 h TRP 532 N 0.45 -0.37 -0.98 1.57 2.91 -1.31 -2.39 115.95 115.83 2x38 h TRP 532 Ca 0.28 -0.01 0.30 0.00 1.13 0.00 0.00 58.89 60.59 2x38 h TRP 532 Cb 0.28 0.12 -0.18 0.00 -0.51 0.00 0.00 29.16 28.87 2x38 h TRP 532 CO -0.14 -0.06 0.14 1.17 -1.03 0.00 0.00 178.44 178.52 2x38 n LYS 533 N -5.15 -0.07 -1.12 2.65 3.00 -0.38 -1.30 118.16 115.79 2x38 n LYS 533 Ca -0.10 1.45 -0.18 0.00 -0.00 0.00 0.00 58.31 59.48 2x38 n LYS 533 Cb 0.25 -2.37 0.20 0.00 0.00 0.00 0.00 35.03 33.11 2x38 n LYS 533 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 2x38 n MET 534 N -5.42 2.35 -0.36 1.64 2.81 -0.20 -4.67 117.12 113.27 2x38 n MET 534 Ca 0.26 -3.05 0.05 0.00 -1.81 0.00 0.00 57.70 53.15 2x38 n MET 534 Cb 0.88 -2.12 0.21 0.00 -0.71 0.00 0.00 33.22 31.48 2x38 n MET 534 CO 0.00 0.00 0.00 0.07 1.51 0.00 0.00 175.97 177.55 2x38 h ARG 535 N 1.20 1.04 -0.79 0.03 0.11 -0.70 -0.43 114.38 114.84 2x38 h ARG 535 Ca 0.52 -0.06 -0.03 0.00 0.10 0.00 0.00 59.98 60.51 2x38 h ARG 535 Cb 2.58 -0.23 -0.04 0.00 1.11 0.00 0.00 29.97 33.39 2x38 h ARG 535 CO 0.93 0.69 0.39 0.45 0.10 0.00 0.00 179.97 182.53 2x38 h HIS 536 N 1.07 1.13 -0.21 4.08 3.86 -1.85 -1.02 115.15 122.21 2x38 h HIS 536 Ca 0.47 -0.05 -0.08 0.00 -1.16 0.00 0.00 60.37 59.54 2x38 h HIS 536 Cb 0.34 -0.35 -0.01 0.00 1.06 0.00 0.00 27.41 28.45 2x38 h HIS 536 CO -0.00 0.82 -0.23 0.93 0.86 0.00 0.00 177.93 180.30 2x38 h GLU 537 N 1.11 0.38 0.38 2.45 4.39 -1.51 0.18 114.58 121.97 2x38 h GLU 537 Ca 0.27 -0.13 -0.02 0.00 0.34 0.00 0.00 59.36 59.82 2x38 h GLU 537 Cb 0.10 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 2x38 h GLU 537 CO -0.04 0.60 -0.18 0.28 -1.16 0.00 0.00 179.01 178.51 2x38 h VAL 538 N 0.34 0.63 -0.33 3.13 2.07 -0.54 0.81 116.25 122.36 2x38 h VAL 538 Ca 0.05 -0.06 0.05 0.00 0.82 0.00 0.00 66.70 67.56 2x38 h VAL 538 Cb 0.60 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 2x38 h VAL 538 CO 0.04 0.01 0.07 -0.61 0.02 0.00 0.00 177.57 177.11 2x38 h GLN 539 N -0.55 0.19 -0.04 1.57 4.15 -0.58 0.84 115.11 120.70 2x38 h GLN 539 Ca -0.05 -0.01 -0.24 0.00 0.77 0.00 0.00 58.65 59.11 2x38 h GLN 539 Cb 0.41 -0.04 0.01 0.00 0.21 0.00 0.00 27.48 28.07 2x38 h GLN 539 CO 0.09 0.13 -0.95 0.93 -1.93 0.00 0.00 178.83 177.09 2x38 h GLU 540 N 0.20 0.64 0.00 1.69 5.08 -0.96 -3.35 114.58 117.88 2x38 h GLU 540 Ca 0.15 -0.64 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 2x38 h GLU 540 Cb 0.16 0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2x38 h GLU 540 CO -0.19 1.25 -0.60 0.72 -1.00 0.00 0.00 179.01 179.19 2x38 n HIS 541 N -3.85 0.00 -2.64 4.33 8.25 0.27 -4.76 115.22 116.83 2x38 n HIS 541 Ca -0.09 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.27 2x38 n HIS 541 Cb 0.84 -0.03 0.03 0.00 1.12 0.00 0.00 29.99 31.95 2x38 n HIS 541 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2x38 n PHE 542 N -1.31 1.54 0.13 4.41 3.72 0.23 -4.97 117.46 121.22 2x38 n PHE 542 Ca 0.00 -2.71 0.19 0.00 -0.05 0.00 0.00 57.45 54.89 2x38 n PHE 542 Cb 0.05 -0.31 0.76 0.00 -0.94 0.00 0.00 39.48 39.04 2x38 n PHE 542 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2x38 h PRO 543 N 2.85 0.00 -0.00 -1.08 0.13 -1.54 0.93 132.00 133.29 2x38 h PRO 543 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 2x38 h PRO 543 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2x38 h PRO 543 CO 0.50 0.00 -0.01 0.39 -0.23 0.00 0.00 178.00 178.66 2x38 n GLU 544 N -3.60 1.02 -0.95 0.86 1.02 -1.26 -2.94 120.64 114.79 2x38 n GLU 544 Ca 0.06 -0.17 0.03 0.00 -0.02 0.00 0.00 57.16 57.05 2x38 n GLU 544 Cb 0.57 -1.50 0.38 0.00 -0.02 0.00 0.00 31.44 30.87 2x38 n GLU 544 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2x38 n ALA 545 N -0.84 4.15 -0.21 0.62 0.00 0.32 -4.64 120.51 119.91 2x38 n ALA 545 Ca 0.22 -2.07 0.02 0.00 0.00 0.00 0.00 53.44 51.61 2x38 n ALA 545 Cb 0.17 -1.18 0.12 0.00 0.00 0.00 0.00 19.45 18.57 2x38 n ALA 545 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2x38 h LEU 546 N 3.59 -0.06 -0.92 0.00 5.85 -1.72 -2.52 115.31 119.55 2x38 h LEU 546 Ca 0.09 0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.97 2x38 h LEU 546 Cb 2.12 0.19 -0.05 0.00 0.37 0.00 0.00 40.66 43.29 2x38 h LEU 546 CO 0.59 -0.03 0.60 0.00 -0.34 0.00 0.00 178.44 179.25 2x38 h ALA 547 N 1.53 1.20 -0.47 1.25 0.00 -1.90 -0.76 119.26 120.12 2x38 h ALA 547 Ca 0.34 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.11 2x38 h ALA 547 Cb 0.54 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2x38 h ALA 547 CO -0.46 0.48 -0.08 -0.09 0.00 0.00 0.00 179.25 179.10 2x38 h ARG 548 N 1.17 0.84 -0.43 0.00 2.43 -1.82 -0.48 114.38 116.08 2x38 h ARG 548 Ca 0.36 -0.27 -0.08 0.00 -0.81 0.00 0.00 59.98 59.18 2x38 h ARG 548 Cb -0.03 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 2x38 h ARG 548 CO -0.11 0.89 -0.04 1.25 -1.51 0.00 0.00 179.97 180.45 2x38 h LEU 549 N 0.76 0.78 -1.05 3.80 5.85 -1.27 -2.72 115.31 121.46 2x38 h LEU 549 Ca 0.13 -0.33 0.04 0.00 0.84 0.00 0.00 57.88 58.56 2x38 h LEU 549 Cb 0.58 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.34 2x38 h LEU 549 CO 0.04 0.92 0.64 -0.07 -0.34 0.00 0.00 178.44 179.62 2x38 h LEU 550 N 0.62 1.05 -0.16 2.25 3.38 -0.74 -1.41 115.31 120.29 2x38 h LEU 550 Ca 0.12 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2x38 h LEU 550 Cb 0.54 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2x38 h LEU 550 CO 0.03 0.71 0.00 0.18 0.09 0.00 0.00 178.44 179.45 2x38 n LEU 551 N -4.45 0.22 -0.01 1.67 4.77 -0.23 -3.20 117.00 115.78 2x38 n LEU 551 Ca 0.13 0.54 0.11 0.00 -0.03 0.00 0.00 56.01 56.77 2x38 n LEU 551 Cb 0.11 -0.50 -0.17 0.00 -2.33 0.00 0.00 43.42 40.53 2x38 n LEU 551 CO 0.34 -0.27 -0.76 1.33 -1.33 0.00 0.00 177.39 176.71 2x38 n VAL 552 N -1.73 0.00 -2.09 4.08 0.24 -0.58 -4.99 118.33 113.26 2x38 n VAL 552 Ca 0.04 -0.49 -0.39 0.00 -2.04 0.00 0.00 64.34 61.46 2x38 n VAL 552 Cb 0.24 0.01 -0.00 0.00 -1.47 0.00 0.00 33.84 32.61 2x38 n VAL 552 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2x38 s THR 553 N -3.51 2.71 -0.94 3.34 -4.23 -0.93 -4.91 115.64 107.17 2x38 s THR 553 Ca -0.08 0.59 -0.23 0.00 -1.18 0.00 0.00 61.69 60.79 2x38 s THR 553 Cb 0.14 -3.33 0.06 0.00 1.34 0.00 0.00 72.50 70.71 2x38 s THR 553 CO 0.90 0.05 1.36 -0.54 -0.54 0.00 0.00 174.62 175.85 2x38 s LYS 554 N -2.44 3.50 0.00 3.99 -0.14 -1.26 -4.83 119.74 118.56 2x38 s LYS 554 Ca 0.60 -1.03 0.11 0.00 -1.36 0.00 0.00 55.97 54.29 2x38 s LYS 554 Cb -0.35 -5.05 0.53 0.00 -1.68 0.00 0.00 37.83 31.28 2x38 s LYS 554 CO 0.44 -2.13 1.24 0.91 -0.76 0.00 0.00 175.35 175.05 2x38 n TRP 555 N 8.64 0.00 -0.61 3.18 7.02 -1.26 -1.83 117.44 132.58 2x38 n TRP 555 Ca 0.25 0.00 0.10 0.00 -1.02 0.00 0.00 57.50 56.83 2x38 n TRP 555 Cb 0.50 -0.29 0.36 0.00 -2.42 0.00 0.00 31.31 29.46 2x38 n TRP 555 CO 0.00 0.00 0.00 0.27 -2.02 0.00 0.00 177.69 175.94 2x38 n ASN 556 N -1.29 4.76 -3.84 -0.99 6.94 -1.26 -4.31 115.26 115.26 2x38 n ASN 556 Ca 0.05 -2.41 -0.22 0.00 -0.02 0.00 0.00 54.58 51.98 2x38 n ASN 556 Cb 0.09 -0.58 -0.17 0.00 -2.36 0.00 0.00 39.78 36.76 2x38 n ASN 556 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 2x38 s LYS 557 N -1.77 0.84 0.26 -3.83 -0.14 -0.76 -4.84 119.74 109.49 2x38 s LYS 557 Ca 0.52 -0.04 0.07 0.00 -1.36 0.00 0.00 55.97 55.16 2x38 s LYS 557 Cb 0.33 -1.01 0.31 0.00 -1.68 0.00 0.00 37.83 35.78 2x38 s LYS 557 CO 0.26 -0.20 1.59 1.12 -0.76 0.00 0.00 175.35 177.36 2x38 h HIS 558 N 7.82 0.20 -0.58 3.18 2.07 -1.83 -1.79 115.15 124.21 2x38 h HIS 558 Ca -0.29 -0.07 -0.05 0.00 -2.85 0.00 0.00 60.37 57.11 2x38 h HIS 558 Cb 1.14 -0.04 -0.02 0.00 2.57 0.00 0.00 27.41 31.06 2x38 h HIS 558 CO 0.49 0.71 0.15 0.93 -3.07 0.00 0.00 177.93 177.13 2x38 h GLU 559 N 0.11 0.93 -0.43 5.12 5.08 -1.94 -1.37 114.58 122.08 2x38 h GLU 559 Ca -0.01 -0.22 -0.09 0.00 -1.00 0.00 0.00 59.36 58.05 2x38 h GLU 559 Cb 1.07 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 2x38 h GLU 559 CO 0.09 0.85 -0.08 -0.44 -1.00 0.00 0.00 179.01 178.43 2x38 h ASP 560 N 0.84 0.82 -0.76 1.42 5.19 -1.81 -1.22 116.42 120.89 2x38 h ASP 560 Ca 0.18 -0.35 0.01 0.00 -0.62 0.00 0.00 57.03 56.25 2x38 h ASP 560 Cb 0.33 -0.22 -0.04 0.00 0.18 0.00 0.00 39.33 39.58 2x38 h ASP 560 CO 0.00 0.98 0.50 0.58 -3.12 0.00 0.00 179.24 178.18 2x38 h VAL 561 N 0.64 1.19 -0.81 -1.35 2.07 -1.26 0.50 116.25 117.24 2x38 h VAL 561 Ca 0.11 -0.35 0.05 0.00 0.82 0.00 0.00 66.70 67.33 2x38 h VAL 561 Cb 0.60 0.07 -0.05 0.00 -1.52 0.00 0.00 31.29 30.39 2x38 h VAL 561 CO 0.04 0.19 0.50 0.00 0.02 0.00 0.00 177.57 178.32 2x38 h ALA 562 N 1.29 1.08 -0.44 1.67 0.00 -1.12 0.13 119.26 121.87 2x38 h ALA 562 Ca 0.28 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 2x38 h ALA 562 Cb -0.10 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 2x38 h ALA 562 CO -0.07 0.28 0.21 1.96 0.00 0.00 0.00 179.25 181.63 2x38 h GLN 563 N 0.96 0.63 0.64 0.00 4.20 -0.42 -1.24 115.11 119.88 2x38 h GLN 563 Ca 0.34 -0.10 -0.03 0.00 0.06 0.00 0.00 58.65 58.92 2x38 h GLN 563 Cb 0.09 -0.11 0.01 0.00 0.30 0.00 0.00 27.48 27.76 2x38 h GLN 563 CO -0.14 0.55 -0.31 1.98 -0.67 0.00 0.00 178.83 180.24 2x38 h MET 564 N 0.57 -0.83 -0.71 1.46 4.05 -0.46 -3.09 114.93 115.92 2x38 h MET 564 Ca 0.15 0.06 0.15 0.00 -0.28 0.00 0.00 59.70 59.78 2x38 h MET 564 Cb 0.13 0.19 -0.11 0.00 -0.80 0.00 0.00 31.60 31.01 2x38 h MET 564 CO -0.02 -0.51 0.17 -0.07 0.23 0.00 0.00 176.91 176.71 2x38 h LEU 565 N -1.00 0.02 -0.84 3.39 4.07 -0.80 -1.80 115.31 118.35 2x38 h LEU 565 Ca -0.09 0.14 0.16 0.00 0.08 0.00 0.00 57.88 58.17 2x38 h LEU 565 Cb 0.70 0.19 -0.10 0.00 1.08 0.00 0.00 40.66 42.52 2x38 h LEU 565 CO 0.14 -0.02 0.41 0.22 -1.08 0.00 0.00 178.44 178.11 2x38 h TYR 566 N 0.28 0.71 -0.16 1.13 3.20 -1.15 0.63 116.97 121.60 2x38 h TYR 566 Ca 0.40 0.04 -0.13 0.00 3.14 0.00 0.00 58.73 62.18 2x38 h TYR 566 Cb 0.66 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.73 2x38 h TYR 566 CO -0.26 0.13 -0.44 -0.07 -1.64 0.00 0.00 178.16 175.88 2x38 h LEU 567 N 0.56 0.42 -1.06 2.82 3.38 -1.32 -3.26 115.31 116.84 2x38 h LEU 567 Ca 0.47 -0.19 -0.08 0.00 0.09 0.00 0.00 57.88 58.17 2x38 h LEU 567 Cb 0.71 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 2x38 h LEU 567 CO -0.39 0.81 -0.23 0.25 0.09 0.00 0.00 178.44 178.96 2x38 h LEU 568 N 0.32 0.38 -1.25 1.67 5.85 -0.10 -2.31 115.31 119.88 2x38 h LEU 568 Ca 0.02 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 2x38 h LEU 568 Cb 0.90 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.83 2x38 h LEU 568 CO 0.08 0.62 -0.07 0.00 -0.34 0.00 0.00 178.44 178.73 2x38 n SER 570 N -3.19 3.13 -4.74 0.00 3.41 -1.04 -5.02 113.62 106.17 2x38 n SER 570 Ca 0.01 -1.95 -0.41 0.00 -0.26 0.00 0.00 58.87 56.26 2x38 n SER 570 Cb 0.36 -0.13 -0.03 0.00 -0.26 0.00 0.00 64.21 64.15 2x38 n SER 570 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 2x38 s TRP 571 N -1.61 3.35 0.60 7.33 -0.11 -0.90 -4.98 118.94 122.62 2x38 s TRP 571 Ca 0.32 1.37 -0.18 0.00 1.22 0.00 0.00 56.10 58.82 2x38 s TRP 571 Cb 0.20 -3.50 -0.03 0.00 -1.50 0.00 0.00 33.47 28.64 2x38 s TRP 571 CO 0.29 -1.45 1.18 -1.25 -4.62 0.00 0.00 176.95 171.10 2x38 s PRO 572 N -0.40 2.97 0.47 5.86 0.04 -1.26 -4.98 135.00 137.71 2x38 s PRO 572 Ca 0.53 1.73 -0.23 0.00 0.04 0.00 0.00 61.00 63.08 2x38 s PRO 572 Cb -0.34 -1.94 -0.08 0.00 0.04 0.00 0.00 34.50 32.17 2x38 s PRO 572 CO 0.39 -1.18 1.11 0.39 0.04 0.00 0.00 177.00 177.74 2x38 n GLU 573 N -1.69 1.45 -4.26 4.56 1.02 -1.26 -5.03 120.64 115.43 2x38 n GLU 573 Ca 0.13 0.53 -0.24 0.00 -0.02 0.00 0.00 57.16 57.55 2x38 n GLU 573 Cb 0.50 -2.22 -0.07 0.00 -0.02 0.00 0.00 31.44 29.63 2x38 n GLU 573 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2x38 s LEU 574 N -1.47 3.24 0.80 -4.62 1.43 -1.26 -5.07 118.68 111.73 2x38 s LEU 574 Ca 0.66 -0.54 -0.14 0.00 -1.03 0.00 0.00 54.13 53.08 2x38 s LEU 574 Cb -0.50 -1.82 0.05 0.00 0.03 0.00 0.00 46.19 43.95 2x38 s LEU 574 CO 0.54 0.03 1.01 -2.65 0.23 0.00 0.00 176.35 175.51 2x38 n PRO 575 N -0.60 0.22 -0.19 1.29 -0.02 -1.26 -4.71 135.00 129.71 2x38 n PRO 575 Ca -0.08 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 2x38 n PRO 575 Cb 0.57 -2.27 0.09 0.00 -0.02 0.00 0.00 33.50 31.87 2x38 n PRO 575 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2x38 h VAL 576 N -0.78 0.50 -0.87 -1.45 2.07 -1.99 -0.58 116.25 113.16 2x38 h VAL 576 Ca -0.46 -0.03 0.18 0.00 0.82 0.00 0.00 66.70 67.20 2x38 h VAL 576 Cb 1.31 0.39 -0.11 0.00 -1.52 0.00 0.00 31.29 31.37 2x38 h VAL 576 CO 0.45 0.02 0.42 0.25 0.02 0.00 0.00 177.57 178.72 2x38 h LEU 577 N 0.10 0.45 -0.28 2.57 5.85 -1.97 -1.56 115.31 120.47 2x38 h LEU 577 Ca 0.30 0.12 -0.16 0.00 0.84 0.00 0.00 57.88 58.99 2x38 h LEU 577 Cb 0.49 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.57 2x38 h LEU 577 CO -0.52 0.13 -0.43 0.28 -0.34 0.00 0.00 178.44 177.56 2x38 h SER 578 N 0.53 0.86 -0.50 1.25 0.02 -1.47 -3.06 113.55 111.18 2x38 h SER 578 Ca 0.50 -0.52 0.05 0.00 -0.84 0.00 0.00 61.79 60.99 2x38 h SER 578 Cb 0.82 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 63.09 2x38 h SER 578 CO -0.43 1.21 0.34 0.00 -1.14 0.00 0.00 176.83 176.81 2x38 h ALA 579 N 0.68 1.85 -0.19 3.77 0.00 -0.57 -2.37 119.26 122.42 2x38 h ALA 579 Ca 0.03 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 2x38 h ALA 579 Cb 1.03 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2x38 h ALA 579 CO 0.10 0.07 -0.52 -0.07 0.00 0.00 0.00 179.25 178.83 2x38 h LEU 580 N 0.49 0.60 -1.05 0.00 3.38 -1.22 -2.67 115.31 114.83 2x38 h LEU 580 Ca 0.21 -0.31 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 2x38 h LEU 580 Cb 0.23 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 2x38 h LEU 580 CO -0.06 1.01 0.14 -0.08 0.09 0.00 0.00 178.44 179.55 2x38 h GLU 581 N 0.42 0.82 0.00 1.13 4.81 -1.36 -2.82 114.58 117.58 2x38 h GLU 581 Ca 0.01 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 2x38 h GLU 581 Cb 1.05 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.31 2x38 h GLU 581 CO 0.10 0.73 0.00 1.28 -0.73 0.00 0.00 179.01 180.39 2x38 n LEU 582 N -4.28 0.00 -0.08 1.64 4.77 -0.93 -2.34 117.00 115.77 2x38 n LEU 582 Ca 0.04 0.31 0.12 0.00 -0.03 0.00 0.00 56.01 56.45 2x38 n LEU 582 Cb 0.22 -0.31 0.24 0.00 -2.33 0.00 0.00 43.42 41.24 2x38 n LEU 582 CO 0.40 -0.12 0.46 0.18 -1.33 0.00 0.00 177.39 176.98 2x38 n LEU 583 N -1.31 0.73 -4.58 2.23 4.77 -1.06 -4.68 117.00 113.10 2x38 n LEU 583 Ca 0.08 -0.14 -0.41 0.00 -0.03 0.00 0.00 56.01 55.52 2x38 n LEU 583 Cb 0.15 -0.19 0.01 0.00 -2.33 0.00 0.00 43.42 41.07 2x38 n LEU 583 CO 0.14 0.16 0.48 -0.67 -1.33 0.00 0.00 177.39 176.18 2x38 n ASP 584 N -1.23 0.80 -0.01 -1.43 2.03 -0.99 -4.84 116.55 110.89 2x38 n ASP 584 Ca 0.07 0.99 0.24 0.00 0.52 0.00 0.00 54.79 56.61 2x38 n ASP 584 Cb 0.34 -1.31 0.69 0.00 -0.72 0.00 0.00 41.12 40.12 2x38 n ASP 584 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 2x38 h PHE 585 N 1.30 0.00 0.00 -0.67 3.57 -1.91 -0.67 116.94 118.56 2x38 h PHE 585 Ca -0.44 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.06 2x38 h PHE 585 Cb 1.35 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.09 2x38 h PHE 585 CO 0.42 0.00 0.15 0.43 -2.23 0.00 0.00 178.31 177.07 2x38 n SER 586 N -3.69 0.26 -3.38 0.41 7.64 -1.26 -3.85 113.62 109.75 2x38 n SER 586 Ca 0.12 0.54 -0.26 0.00 1.01 0.00 0.00 58.87 60.28 2x38 n SER 586 Cb 0.86 -0.54 -0.08 0.00 -1.01 0.00 0.00 64.21 63.43 2x38 n SER 586 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2x38 n PHE 587 N -1.83 1.16 0.41 1.43 3.72 -0.26 -4.77 117.46 117.32 2x38 n PHE 587 Ca -0.01 -3.78 0.12 0.00 -0.05 0.00 0.00 57.45 53.73 2x38 n PHE 587 Cb 0.16 -0.34 0.21 0.00 -0.94 0.00 0.00 39.48 38.58 2x38 n PHE 587 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2x38 h PRO 588 N 4.52 0.00 -6.51 -1.08 0.13 -1.81 -3.42 132.00 123.83 2x38 h PRO 588 Ca 0.15 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.73 2x38 h PRO 588 Cb 0.81 0.00 0.05 0.00 0.13 0.00 0.00 31.00 31.98 2x38 h PRO 588 CO 0.59 0.00 0.98 -3.47 -0.23 0.00 0.00 178.00 175.86 2x38 n ASP 589 N -2.52 3.62 0.04 1.44 2.03 -1.26 -4.84 116.55 115.05 2x38 n ASP 589 Ca 0.04 1.04 0.13 0.00 0.52 0.00 0.00 54.79 56.51 2x38 n ASP 589 Cb 0.48 -1.49 0.51 0.00 -0.72 0.00 0.00 41.12 39.90 2x38 n ASP 589 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2x38 h TYR 591 N 0.00 1.03 -0.34 0.00 0.05 -1.98 0.67 116.97 116.41 2x38 h TYR 591 Ca 0.00 -0.35 -0.06 0.00 0.05 0.00 0.00 58.73 58.37 2x38 h TYR 591 Cb 0.51 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 38.04 2x38 h TYR 591 CO 0.00 1.16 -0.01 0.28 -1.05 0.00 0.00 178.16 178.55 2x38 h VAL 592 N 0.65 1.26 -0.68 -2.88 2.07 -1.64 0.81 116.25 115.86 2x38 h VAL 592 Ca 0.02 -0.99 -0.04 0.00 0.82 0.00 0.00 66.70 66.51 2x38 h VAL 592 Cb 1.10 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 32.08 2x38 h VAL 592 CO 0.11 0.32 0.25 1.23 0.02 0.00 0.00 177.57 179.51 2x38 h GLY 593 N 0.40 1.10 0.68 2.17 0.00 -0.75 0.54 103.07 107.21 2x38 h GLY 593 Ca 0.09 -0.62 0.01 0.00 0.00 0.00 0.00 47.33 46.82 2x38 h GLY 593 CO 0.02 0.58 -0.24 1.76 0.00 0.00 0.00 176.54 178.65 2x38 h SER 594 N 0.97 -0.66 -0.60 0.19 0.02 0.36 -0.56 113.55 113.27 2x38 h SER 594 Ca 0.22 0.07 0.10 0.00 -0.84 0.00 0.00 61.79 61.34 2x38 h SER 594 Cb 0.24 0.24 -0.08 0.00 0.14 0.00 0.00 62.40 62.93 2x38 h SER 594 CO -0.01 -0.35 0.17 0.15 -1.14 0.00 0.00 176.83 175.64 2x38 h PHE 595 N -0.50 0.28 -0.38 3.45 3.57 -0.09 0.19 116.94 123.46 2x38 h PHE 595 Ca 0.01 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 2x38 h PHE 595 Cb 0.48 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 2x38 h PHE 595 CO -0.18 0.02 0.19 0.00 -2.23 0.00 0.00 178.31 176.10 2x38 h ALA 596 N 1.45 0.48 -0.21 2.41 0.00 0.26 -1.44 119.26 122.22 2x38 h ALA 596 Ca 0.31 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.14 2x38 h ALA 596 Cb 0.43 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2x38 h ALA 596 CO -0.36 0.04 0.08 0.82 0.00 0.00 0.00 179.25 179.83 2x38 h ILE 597 N 0.47 0.96 -0.66 0.00 1.08 -0.55 -0.57 117.51 118.24 2x38 h ILE 597 Ca 0.13 -0.06 0.14 0.00 -0.39 0.00 0.00 64.86 64.67 2x38 h ILE 597 Cb 0.11 0.76 -0.10 0.00 -3.07 0.00 0.00 36.82 34.52 2x38 h ILE 597 CO -0.02 0.03 0.11 0.50 -0.69 0.00 0.00 178.15 178.08 2x38 h LYS 598 N 0.18 0.21 0.00 2.37 3.64 -0.64 0.29 116.57 122.63 2x38 h LYS 598 Ca 0.09 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.42 2x38 h LYS 598 Cb 0.05 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2x38 h LYS 598 CO -0.09 0.14 -0.15 0.77 -2.27 0.00 0.00 179.45 177.85 2x38 h SER 599 N 0.22 0.00 1.51 4.20 0.02 -0.93 -3.10 113.55 115.46 2x38 h SER 599 Ca 0.36 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.31 2x38 h SER 599 Cb 0.58 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.12 2x38 h SER 599 CO -0.48 0.15 -0.02 -0.07 -1.14 0.00 0.00 176.83 175.27 2x38 h LEU 600 N 0.00 0.00 -2.15 5.07 3.38 0.11 -3.33 115.31 118.39 2x38 h LEU 600 Ca -0.00 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2x38 h LEU 600 Cb 0.82 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.56 2x38 h LEU 600 CO 0.02 0.00 -0.07 0.03 0.09 0.00 0.00 178.44 178.51 2x38 h ARG 601 N 0.00 0.00 0.00 1.13 3.08 -1.05 -1.96 114.38 115.58 2x38 h ARG 601 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2x38 h ARG 601 Cb 0.77 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.82 2x38 h ARG 601 CO 0.00 0.07 0.00 0.36 -1.07 0.00 0.00 179.97 179.33 2x38 n LYS 602 N -3.69 0.75 -1.68 0.04 2.85 -1.25 -4.81 118.16 110.38 2x38 n LYS 602 Ca -0.02 0.00 -0.45 0.00 -1.05 0.00 0.00 58.31 56.79 2x38 n LYS 602 Cb 0.17 -1.45 -0.03 0.00 -0.65 0.00 0.00 35.03 33.07 2x38 n LYS 602 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2x38 n LEU 603 N -0.95 3.26 -4.74 -5.58 4.77 -0.74 -4.97 117.00 108.05 2x38 n LEU 603 Ca 0.16 1.11 -0.30 0.00 -0.03 0.00 0.00 56.01 56.96 2x38 n LEU 603 Cb 0.07 -1.45 0.12 0.00 -2.33 0.00 0.00 43.42 39.83 2x38 n LEU 603 CO 0.12 -0.31 0.68 0.42 -1.33 0.00 0.00 177.39 176.97 2x38 s THR 604 N 0.42 2.91 0.17 -5.08 -4.23 -1.26 -4.83 115.64 103.74 2x38 s THR 604 Ca 0.73 0.30 -0.12 0.00 -1.18 0.00 0.00 61.69 61.41 2x38 s THR 604 Cb -0.64 -2.82 0.08 0.00 1.34 0.00 0.00 72.50 70.46 2x38 s THR 604 CO 0.44 -0.39 1.76 0.44 -0.54 0.00 0.00 174.62 176.33 2x38 h ASP 605 N -1.37 0.77 -0.53 3.99 3.32 -1.98 -0.55 116.42 120.07 2x38 h ASP 605 Ca -0.48 -0.12 0.06 0.00 0.02 0.00 0.00 57.03 56.51 2x38 h ASP 605 Cb 1.27 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 40.57 2x38 h ASP 605 CO 0.54 0.68 0.24 0.44 -1.72 0.00 0.00 179.24 179.41 2x38 h ASP 606 N 0.81 0.30 -0.41 6.45 3.32 -1.98 0.38 116.42 125.29 2x38 h ASP 606 Ca 0.20 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.27 2x38 h ASP 606 Cb 0.11 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 2x38 h ASP 606 CO -0.03 0.21 0.13 -0.33 -1.72 0.00 0.00 179.24 177.49 2x38 h GLU 607 N 0.45 0.63 -0.22 3.56 5.08 -1.89 -1.09 114.58 121.11 2x38 h GLU 607 Ca 0.24 -0.14 0.05 0.00 -1.00 0.00 0.00 59.36 58.51 2x38 h GLU 607 Cb 0.21 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.32 2x38 h GLU 607 CO -0.20 0.63 -0.07 1.25 -1.00 0.00 0.00 179.01 179.62 2x38 h LEU 608 N 0.51 -0.23 -0.46 1.33 5.85 -0.57 -1.51 115.31 120.22 2x38 h LEU 608 Ca 0.13 0.07 0.08 0.00 0.84 0.00 0.00 57.88 59.00 2x38 h LEU 608 Cb 0.26 0.15 -0.07 0.00 0.37 0.00 0.00 40.66 41.37 2x38 h LEU 608 CO -0.00 -0.09 0.05 0.15 -0.34 0.00 0.00 178.44 178.21 2x38 h PHE 609 N -0.02 0.06 -0.83 1.25 3.57 -0.14 -0.07 116.94 120.77 2x38 h PHE 609 Ca 0.11 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.73 2x38 h PHE 609 Cb 0.18 0.04 -0.06 0.00 2.79 0.00 0.00 35.95 38.91 2x38 h PHE 609 CO -0.24 -0.05 0.54 0.37 -2.23 0.00 0.00 178.31 176.70 2x38 h GLN 610 N 0.17 0.78 -0.23 1.11 5.75 -0.43 -2.60 115.11 119.66 2x38 h GLN 610 Ca 0.23 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.69 2x38 h GLN 610 Cb 0.33 -0.18 0.00 0.00 1.07 0.00 0.00 27.48 28.70 2x38 h GLN 610 CO -0.35 0.52 0.00 0.66 -2.65 0.00 0.00 178.83 177.01 2x38 n TYR 611 N -4.51 0.29 -0.17 3.99 4.01 -0.64 -4.68 117.16 115.45 2x38 n TYR 611 Ca 0.14 -0.17 -0.03 0.00 -0.16 0.00 0.00 57.90 57.68 2x38 n TYR 611 Cb 0.30 -0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.40 2x38 n TYR 611 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 2x38 h LEU 612 N 3.95 0.22 -0.73 7.72 5.85 -0.61 -1.25 115.31 130.47 2x38 h LEU 612 Ca 0.00 0.06 0.14 0.00 0.84 0.00 0.00 57.88 58.92 2x38 h LEU 612 Cb 0.88 0.03 -0.10 0.00 0.37 0.00 0.00 40.66 41.85 2x38 h LEU 612 CO 0.00 0.15 0.26 0.25 -0.34 0.00 0.00 178.44 178.76 2x38 h LEU 613 N 0.39 0.20 -0.18 2.25 5.85 -1.83 -0.51 115.31 121.47 2x38 h LEU 613 Ca 0.25 0.11 -0.17 0.00 0.84 0.00 0.00 57.88 58.91 2x38 h LEU 613 Cb 0.25 0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.40 2x38 h LEU 613 CO -0.24 0.07 -0.56 1.56 -0.34 0.00 0.00 178.44 178.93 2x38 h GLN 614 N 0.39 0.70 -0.99 1.25 7.50 -1.61 -2.64 115.11 119.71 2x38 h GLN 614 Ca 0.40 -0.51 0.01 0.00 0.50 0.00 0.00 58.65 59.05 2x38 h GLN 614 Cb 0.62 0.09 -0.05 0.00 0.05 0.00 0.00 27.48 28.19 2x38 h GLN 614 CO -0.42 1.13 0.64 -0.07 -1.50 0.00 0.00 178.83 178.61 2x38 h LEU 615 N 0.40 1.15 -0.65 1.46 3.38 -0.84 -2.08 115.31 118.14 2x38 h LEU 615 Ca -0.02 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.92 2x38 h LEU 615 Cb 1.18 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.61 2x38 h LEU 615 CO 0.12 0.85 0.43 0.58 0.09 0.00 0.00 178.44 180.50 2x38 h VAL 616 N 1.35 1.15 -0.94 1.22 2.07 -0.98 -2.58 116.25 117.55 2x38 h VAL 616 Ca 0.36 -0.30 0.06 0.00 0.82 0.00 0.00 66.70 67.64 2x38 h VAL 616 Cb -0.13 0.21 -0.06 0.00 -1.52 0.00 0.00 31.29 29.79 2x38 h VAL 616 CO -0.08 0.16 0.61 1.56 0.02 0.00 0.00 177.57 179.84 2x38 h GLN 617 N 0.87 1.07 0.00 1.57 1.08 -1.04 -1.79 115.11 116.87 2x38 h GLN 617 Ca 0.24 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.37 2x38 h GLN 617 Cb -0.08 -0.24 -0.00 0.00 -0.05 0.00 0.00 27.48 27.10 2x38 h GLN 617 CO -0.06 0.71 -0.03 0.28 -0.95 0.00 0.00 178.83 178.78 2x38 h VAL 618 N 1.10 0.38 -0.34 -0.54 2.07 -0.98 -1.28 116.25 116.66 2x38 h VAL 618 Ca 0.39 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.77 2x38 h VAL 618 Cb 0.14 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 2x38 h VAL 618 CO -0.14 0.03 0.22 -0.07 0.02 0.00 0.00 177.57 177.63 2x38 h LEU 619 N 0.00 0.39 -2.23 2.57 3.38 -1.25 0.28 115.31 118.45 2x38 h LEU 619 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2x38 h LEU 619 Cb 0.10 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2x38 h LEU 619 CO 0.00 0.29 0.00 0.11 0.09 0.00 0.00 178.44 178.93 2x38 h LYS 620 N 0.46 0.00 0.00 1.13 1.57 -1.35 -2.12 116.57 116.26 2x38 h LYS 620 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 2x38 h LYS 620 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.26 2x38 h LYS 620 CO -0.03 0.00 -0.42 1.88 -0.57 0.00 0.00 179.45 180.32 2x38 h TYR 621 N 0.00 0.00 -3.82 -1.35 0.05 -1.07 -3.44 116.97 107.35 2x38 h TYR 621 Ca 0.00 0.00 -0.54 0.00 0.05 0.00 0.00 58.73 58.24 2x38 h TYR 621 Cb 0.18 0.00 0.10 0.00 1.01 0.00 0.00 36.73 38.01 2x38 h TYR 621 CO 0.00 0.00 0.78 -1.21 -1.05 0.00 0.00 178.16 176.68 2x38 s GLU 622 N -3.23 4.14 0.30 4.88 0.41 -0.80 -4.92 118.70 119.48 2x38 s GLU 622 Ca 0.05 2.53 0.18 0.00 -0.41 0.00 0.00 54.97 57.32 2x38 s GLU 622 Cb 0.09 -2.99 0.11 0.00 -1.78 0.00 0.00 34.13 29.56 2x38 s GLU 622 CO 0.70 -0.51 1.41 0.77 -0.49 0.00 0.00 175.26 177.14 2x38 h SER 623 N 3.41 0.00 -5.18 -0.19 0.02 -1.93 -3.45 113.55 106.23 2x38 h SER 623 Ca -0.50 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.33 2x38 h SER 623 Cb 1.23 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 63.62 2x38 h SER 623 CO 0.67 0.35 -0.64 -0.31 -1.14 0.00 0.00 176.83 175.77 2x38 s TYR 624 N -3.04 0.42 0.04 3.45 2.02 -1.26 -4.92 117.35 114.06 2x38 s TYR 624 Ca 0.04 -0.90 -0.27 0.00 -0.37 0.00 0.00 57.07 55.57 2x38 s TYR 624 Cb 0.07 -0.31 -0.17 0.00 -0.40 0.00 0.00 41.96 41.15 2x38 s TYR 624 CO 0.73 -0.37 1.44 -0.07 -1.57 0.00 0.00 175.55 175.71 2x38 h LEU 625 N 3.34 -0.44 -8.88 -1.29 3.38 -1.95 -3.40 115.31 106.08 2x38 h LEU 625 Ca -0.34 -0.08 -0.58 0.00 0.09 0.00 0.00 57.88 56.97 2x38 h LEU 625 Cb 1.16 0.11 -0.08 0.00 0.09 0.00 0.00 40.66 41.95 2x38 h LEU 625 CO 0.60 -0.18 0.73 -0.62 0.09 0.00 0.00 178.44 179.06 2x38 s ASP 626 N -4.86 6.78 -0.01 -0.43 2.15 -1.26 -4.94 116.67 114.10 2x38 s ASP 626 Ca -0.15 0.77 -0.20 0.00 0.43 0.00 0.00 52.55 53.39 2x38 s ASP 626 Cb 0.03 -2.50 0.04 0.00 -0.30 0.00 0.00 42.92 40.19 2x38 s ASP 626 CO 0.59 -0.90 0.44 0.00 -0.17 0.00 0.00 175.17 175.13 2x38 h GLU 628 N 3.37 0.06 -0.55 0.00 4.39 -1.94 -1.02 114.58 118.89 2x38 h GLU 628 Ca -0.29 -0.00 0.07 0.00 0.34 0.00 0.00 59.36 59.48 2x38 h GLU 628 Cb 1.18 -0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 29.75 2x38 h GLU 628 CO 0.41 0.04 0.22 1.25 -1.16 0.00 0.00 179.01 179.77 2x38 h LEU 629 N 0.06 0.25 -0.07 1.33 5.85 -1.98 0.13 115.31 120.89 2x38 h LEU 629 Ca 0.34 0.06 0.00 0.00 0.84 0.00 0.00 57.88 59.12 2x38 h LEU 629 Cb 0.55 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.60 2x38 h LEU 629 CO -0.62 0.17 0.03 0.74 -0.34 0.00 0.00 178.44 178.42 2x38 h THR 630 N 0.42 1.00 -0.44 1.05 2.02 -1.57 0.16 112.91 115.55 2x38 h THR 630 Ca 0.26 -0.03 0.04 0.00 0.77 0.00 0.00 66.41 67.46 2x38 h THR 630 Cb 0.28 0.92 -0.04 0.00 -1.74 0.00 0.00 68.15 67.57 2x38 h THR 630 CO -0.25 0.01 0.21 0.50 0.37 0.00 0.00 175.52 176.36 2x38 h LYS 631 N 0.07 0.40 0.46 6.66 1.63 -0.97 -0.75 116.57 124.07 2x38 h LYS 631 Ca 0.03 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 2x38 h LYS 631 Cb -0.00 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 31.52 2x38 h LYS 631 CO -0.01 0.27 -0.40 0.35 -3.45 0.00 0.00 179.45 176.21 2x38 h PHE 632 N 0.42 -1.07 -0.54 1.91 3.57 -0.33 -0.76 116.94 120.14 2x38 h PHE 632 Ca 0.19 0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.79 2x38 h PHE 632 Cb 0.12 0.41 -0.08 0.00 2.79 0.00 0.00 35.95 39.19 2x38 h PHE 632 CO -0.11 -0.56 0.09 -0.07 -2.23 0.00 0.00 178.31 175.43 2x38 h LEU 633 N -0.85 -0.04 0.08 0.59 3.38 -0.54 -0.83 115.31 117.09 2x38 h LEU 633 Ca -0.04 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 2x38 h LEU 633 Cb 0.74 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.64 2x38 h LEU 633 CO -0.03 0.00 -0.04 0.25 0.09 0.00 0.00 178.44 178.72 2x38 h LEU 634 N 0.22 -0.09 -0.71 1.67 5.85 -1.05 0.66 115.31 121.87 2x38 h LEU 634 Ca 0.27 -0.07 0.13 0.00 0.84 0.00 0.00 57.88 59.05 2x38 h LEU 634 Cb 0.39 0.02 -0.09 0.00 0.37 0.00 0.00 40.66 41.35 2x38 h LEU 634 CO -0.37 0.02 0.25 1.23 -0.34 0.00 0.00 178.44 179.23 2x38 h GLY 635 N -0.18 1.03 1.15 3.75 0.00 -0.80 0.20 103.07 108.21 2x38 h GLY 635 Ca -0.01 -0.12 -0.21 0.00 0.00 0.00 0.00 47.33 47.00 2x38 h GLY 635 CO 0.02 -0.09 -0.67 3.21 0.00 0.00 0.00 176.54 179.00 2x38 h ARG 636 N 0.40 0.82 -0.99 4.80 2.47 -0.95 -2.08 114.38 118.85 2x38 h ARG 636 Ca 0.38 -0.61 0.05 0.00 -1.26 0.00 0.00 59.98 58.55 2x38 h ARG 636 Cb 0.56 0.11 -0.06 0.00 -1.65 0.00 0.00 29.97 28.93 2x38 h ARG 636 CO -0.39 1.22 0.64 0.00 0.56 0.00 0.00 179.97 182.00 2x38 h ALA 637 N 0.60 1.35 0.00 0.04 0.00 -0.57 -0.87 119.26 119.81 2x38 h ALA 637 Ca -0.02 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 2x38 h ALA 637 Cb 1.29 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2x38 h ALA 637 CO 0.14 0.48 -0.27 -0.07 0.00 0.00 0.00 179.25 179.53 2x38 h LEU 638 N 1.20 0.00 0.00 0.00 3.38 -0.43 -3.02 115.31 116.44 2x38 h LEU 638 Ca 0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.38 2x38 h LEU 638 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2x38 h LEU 638 CO -0.15 0.27 -0.75 0.00 0.09 0.00 0.00 178.44 177.91 2x38 h ALA 639 N 1.73 0.52 -3.13 1.53 0.00 -0.84 -3.45 119.26 115.63 2x38 h ALA 639 Ca -0.00 0.00 -0.45 0.00 0.00 0.00 0.00 54.91 54.45 2x38 h ALA 639 Cb 0.94 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 18.33 2x38 h ALA 639 CO 0.04 0.00 -0.75 1.21 0.00 0.00 0.00 179.25 179.74 2x38 s ASN 640 N -4.37 2.23 0.36 0.00 3.84 -0.38 -4.52 114.94 112.10 2x38 s ASN 640 Ca 0.05 -0.53 0.03 0.00 0.21 0.00 0.00 52.86 52.62 2x38 s ASN 640 Cb 0.13 -0.29 0.68 0.00 -0.55 0.00 0.00 41.25 41.22 2x38 s ASN 640 CO 0.74 -0.32 2.01 -0.09 -2.79 0.00 0.00 177.10 176.65 2x38 h ARG 641 N 8.39 0.75 -0.14 0.43 2.43 -1.20 0.37 114.38 125.42 2x38 h ARG 641 Ca -0.15 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 58.96 2x38 h ARG 641 Cb 1.14 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.52 2x38 h ARG 641 CO 0.28 0.51 0.07 -0.22 -1.51 0.00 0.00 179.97 179.10 2x38 h LYS 642 N 0.77 0.20 -0.24 0.20 3.64 -1.82 0.40 116.57 119.71 2x38 h LYS 642 Ca 0.21 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.59 2x38 h LYS 642 Cb -0.06 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.69 2x38 h LYS 642 CO -0.04 0.23 0.06 0.82 -2.27 0.00 0.00 179.45 178.25 2x38 h ILE 643 N 0.12 0.91 -0.87 2.00 1.08 -1.63 -2.52 117.51 116.59 2x38 h ILE 643 Ca 0.05 -0.06 0.09 0.00 -0.39 0.00 0.00 64.86 64.55 2x38 h ILE 643 Cb 0.09 0.73 -0.07 0.00 -3.07 0.00 0.00 36.82 34.50 2x38 h ILE 643 CO -0.01 0.03 0.52 1.23 -0.69 0.00 0.00 178.15 179.24 2x38 h GLY 644 N 0.17 1.36 0.83 5.37 0.00 -0.66 0.06 103.07 110.19 2x38 h GLY 644 Ca 0.11 -0.36 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 2x38 h GLY 644 CO -0.13 0.18 -0.40 0.84 0.00 0.00 0.00 176.54 177.04 2x38 h HIS 645 N 0.89 -1.05 -0.24 5.60 -0.00 0.20 -1.67 115.15 118.89 2x38 h HIS 645 Ca 0.41 -0.01 -0.10 0.00 -0.00 0.00 0.00 60.37 60.67 2x38 h HIS 645 Cb 0.32 0.38 -0.01 0.00 -0.00 0.00 0.00 27.41 28.10 2x38 h HIS 645 CO -0.04 -0.60 -0.29 0.74 -0.00 0.00 0.00 177.93 177.75 2x38 h PHE 646 N -0.97 0.53 -0.61 5.26 0.04 -1.21 -2.45 116.94 117.53 2x38 h PHE 646 Ca -0.08 -0.12 -0.00 0.00 2.80 0.00 0.00 57.97 60.57 2x38 h PHE 646 Cb 0.79 -0.13 -0.03 0.00 2.20 0.00 0.00 35.95 38.78 2x38 h PHE 646 CO -0.11 0.71 0.37 1.25 -0.60 0.00 0.00 178.31 179.94 2x38 h LEU 647 N 0.41 0.73 0.09 1.54 5.85 -0.96 -0.11 115.31 122.86 2x38 h LEU 647 Ca 0.06 -0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.75 2x38 h LEU 647 Cb 0.71 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.52 2x38 h LEU 647 CO 0.05 0.56 -0.29 0.15 -0.34 0.00 0.00 178.44 178.58 2x38 h PHE 648 N 0.83 -0.79 -0.45 1.25 3.57 -1.06 -2.26 116.94 118.03 2x38 h PHE 648 Ca 0.22 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.64 2x38 h PHE 648 Cb -0.04 0.34 -0.02 0.00 2.79 0.00 0.00 35.95 39.02 2x38 h PHE 648 CO -0.02 -0.39 -0.10 -1.49 -2.23 0.00 0.00 178.31 174.07 2x38 h TRP 649 N -0.49 0.90 -0.80 0.41 4.06 -1.19 0.10 115.95 118.94 2x38 h TRP 649 Ca 0.04 -0.17 0.07 0.00 2.06 0.00 0.00 58.89 60.90 2x38 h TRP 649 Cb 0.53 -0.23 -0.06 0.00 -1.00 0.00 0.00 29.16 28.40 2x38 h TRP 649 CO -0.28 0.88 0.47 0.45 -3.56 0.00 0.00 178.44 176.41 2x38 h HIS 650 N 0.74 0.87 -0.10 0.49 3.86 -0.98 -1.32 115.15 118.71 2x38 h HIS 650 Ca 0.12 0.03 -0.11 0.00 -1.16 0.00 0.00 60.37 59.26 2x38 h HIS 650 Cb 0.60 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 28.80 2x38 h HIS 650 CO 0.03 0.41 -0.35 -0.07 0.86 0.00 0.00 177.93 178.81 2x38 h LEU 651 N 0.84 0.49 -0.82 2.43 3.38 -0.92 -3.32 115.31 117.38 2x38 h LEU 651 Ca 0.36 -0.61 0.05 0.00 0.09 0.00 0.00 57.88 57.77 2x38 h LEU 651 Cb 0.24 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.79 2x38 h LEU 651 CO -0.20 1.02 0.51 -0.09 0.09 0.00 0.00 178.44 179.77 2x38 h ARG 652 N -0.01 0.93 0.00 1.13 9.65 -0.67 -1.85 114.38 123.56 2x38 h ARG 652 Ca -0.01 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.81 2x38 h ARG 652 Cb 0.98 -0.21 0.00 0.00 -1.39 0.00 0.00 29.97 29.35 2x38 h ARG 652 CO 0.07 0.62 0.00 -1.13 2.80 0.00 0.00 179.97 182.33 2x38 n SER 653 N -4.62 0.54 -0.61 -3.80 3.41 -0.51 -2.10 113.62 105.93 2x38 n SER 653 Ca 0.11 0.72 0.06 0.00 -0.26 0.00 0.00 58.87 59.50 2x38 n SER 653 Cb 0.14 -0.80 0.13 0.00 -0.26 0.00 0.00 64.21 63.42 2x38 n SER 653 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2x38 n GLU 654 N -2.20 2.26 0.26 4.33 1.02 -0.70 -4.28 120.64 121.34 2x38 n GLU 654 Ca -0.01 -1.83 0.18 0.00 -0.02 0.00 0.00 57.16 55.48 2x38 n GLU 654 Cb 0.07 -1.26 0.82 0.00 -0.02 0.00 0.00 31.44 31.05 2x38 n GLU 654 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 2x38 h MET 655 N 2.14 0.00 -0.00 3.49 2.86 -1.46 -0.57 114.93 121.39 2x38 h MET 655 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2x38 h MET 655 Cb 0.67 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.33 2x38 h MET 655 CO 0.00 0.00 -0.03 -2.39 1.06 0.00 0.00 176.91 175.55 2x38 n HIS 656 N -2.85 0.00 -3.44 -0.22 1.44 -1.26 -4.67 115.22 104.23 2x38 n HIS 656 Ca -0.01 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.27 2x38 n HIS 656 Cb 0.18 -0.19 -0.09 0.00 0.12 0.00 0.00 29.99 30.01 2x38 n HIS 656 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 2x38 s VAL 657 N -2.41 5.16 0.46 0.61 1.01 -0.22 -4.98 120.40 120.02 2x38 s VAL 657 Ca 0.33 -0.93 0.17 0.00 0.00 0.00 0.00 61.98 61.55 2x38 s VAL 657 Cb 0.21 -4.00 0.34 0.00 0.00 0.00 0.00 36.38 32.93 2x38 s VAL 657 CO 0.44 -0.46 1.98 -0.65 0.00 0.00 0.00 175.10 176.41 2x38 h PRO 658 N 8.67 0.30 0.00 2.72 0.11 -1.86 -1.71 132.00 140.23 2x38 h PRO 658 Ca -0.27 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2x38 h PRO 658 Cb 1.11 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2x38 h PRO 658 CO 0.81 0.20 0.00 0.66 -0.21 0.00 0.00 178.00 179.45 2x38 h SER 659 N 0.30 0.00 0.00 -2.05 4.64 -1.94 -3.26 113.55 111.24 2x38 h SER 659 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 2x38 h SER 659 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 2x38 h SER 659 CO -0.06 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.23 2x38 n VAL 660 N -2.36 0.00 -0.21 0.95 0.24 -0.69 -4.83 118.33 111.42 2x38 n VAL 660 Ca 0.01 -0.35 -0.06 0.00 -2.04 0.00 0.00 64.34 61.90 2x38 n VAL 660 Cb 0.17 1.02 0.04 0.00 -1.47 0.00 0.00 33.84 33.61 2x38 n VAL 660 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2x38 h ALA 661 N 0.00 0.78 0.80 2.33 0.00 -1.47 0.38 119.26 122.08 2x38 h ALA 661 Ca 0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2x38 h ALA 661 Cb 0.01 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 2x38 h ALA 661 CO 0.00 0.19 -0.48 1.25 0.00 0.00 0.00 179.25 180.21 2x38 h LEU 662 N 0.81 -1.22 0.04 0.00 5.85 -1.88 -0.49 115.31 118.42 2x38 h LEU 662 Ca 0.23 0.07 0.02 0.00 0.84 0.00 0.00 57.88 59.03 2x38 h LEU 662 Cb -0.07 0.35 -0.05 0.00 0.37 0.00 0.00 40.66 41.26 2x38 h LEU 662 CO -0.06 -0.75 -0.53 -0.09 -0.34 0.00 0.00 178.44 176.67 2x38 h ARG 663 N -1.20 -0.67 -0.47 1.25 2.43 -1.83 -1.36 114.38 112.54 2x38 h ARG 663 Ca -0.11 0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.12 2x38 h ARG 663 Cb 0.96 0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.64 2x38 h ARG 663 CO 0.12 -0.45 0.31 0.74 -1.51 0.00 0.00 179.97 179.18 2x38 h PHE 664 N -0.69 0.57 -0.20 2.20 -1.00 -0.97 -1.97 116.94 114.88 2x38 h PHE 664 Ca 0.01 0.01 -0.02 0.00 2.81 0.00 0.00 57.97 60.79 2x38 h PHE 664 Cb 0.73 -0.19 -0.01 0.00 3.61 0.00 0.00 35.95 40.09 2x38 h PHE 664 CO -0.49 0.35 0.06 0.78 -1.61 0.00 0.00 178.31 177.40 2x38 h GLY 665 N 0.61 0.33 1.00 -1.45 0.00 -0.72 -1.44 103.07 101.39 2x38 h GLY 665 Ca 0.17 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.31 2x38 h GLY 665 CO -0.04 0.19 0.24 1.41 0.00 0.00 0.00 176.54 178.34 2x38 h LEU 666 N 0.14 0.43 -0.12 3.11 3.38 -0.77 -1.31 115.31 120.16 2x38 h LEU 666 Ca 0.06 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.04 2x38 h LEU 666 Cb 0.24 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2x38 h LEU 666 CO -0.00 0.31 0.01 0.40 0.09 0.00 0.00 178.44 179.25 2x38 h ILE 667 N 0.50 0.92 -0.94 1.22 2.04 -1.32 -1.94 117.51 118.00 2x38 h ILE 667 Ca 0.14 -0.02 0.04 0.00 1.00 0.00 0.00 64.86 66.02 2x38 h ILE 667 Cb -0.05 0.87 -0.06 0.00 -0.74 0.00 0.00 36.82 36.84 2x38 h ILE 667 CO -0.03 0.01 0.61 0.24 0.00 0.00 0.00 178.15 178.98 2x38 h MET 668 N 0.05 1.14 0.14 2.37 2.86 -1.10 -1.12 114.93 119.27 2x38 h MET 668 Ca 0.06 -0.07 0.02 0.00 -2.06 0.00 0.00 59.70 57.64 2x38 h MET 668 Cb 0.06 -0.26 -0.03 0.00 0.06 0.00 0.00 31.60 31.43 2x38 h MET 668 CO -0.09 0.75 -0.26 1.49 1.06 0.00 0.00 176.91 179.87 2x38 h GLU 669 N 1.17 -0.46 -0.34 1.72 4.81 -1.03 -1.02 114.58 119.44 2x38 h GLU 669 Ca 0.38 0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.70 2x38 h GLU 669 Cb 0.03 0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.46 2x38 h GLU 669 CO -0.13 -0.31 0.03 0.00 -0.73 0.00 0.00 179.01 177.87 2x38 h ALA 670 N 0.25 0.33 -0.31 2.92 0.00 -0.95 -1.85 119.26 119.65 2x38 h ALA 670 Ca 0.02 0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.09 2x38 h ALA 670 Cb 0.49 0.13 -0.08 0.00 0.00 0.00 0.00 17.79 18.33 2x38 h ALA 670 CO -0.13 -0.38 -0.30 -0.92 0.00 0.00 0.00 179.25 177.52 2x38 h TYR 671 N 0.13 -0.82 -0.91 0.00 3.20 -1.04 -1.80 116.97 115.74 2x38 h TYR 671 Ca 0.16 0.05 0.17 0.00 3.14 0.00 0.00 58.73 62.25 2x38 h TYR 671 Cb 0.21 0.41 -0.07 0.00 1.54 0.00 0.00 36.73 38.81 2x38 h TYR 671 CO -0.22 -0.37 0.58 0.00 -1.64 0.00 0.00 178.16 176.52 2x38 h ARG 673 N 0.61 0.32 0.00 0.00 2.47 -0.55 -2.46 114.38 114.77 2x38 h ARG 673 Ca 0.47 -0.05 -0.07 0.00 -1.26 0.00 0.00 59.98 59.07 2x38 h ARG 673 Cb 0.88 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 29.13 2x38 h ARG 673 CO -0.22 0.36 -0.36 0.78 0.56 0.00 0.00 179.97 181.09 2x38 h GLY 674 N 0.64 0.00 -6.48 0.04 0.00 -0.01 -3.41 103.07 93.85 2x38 h GLY 674 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 47.33 46.98 2x38 h GLY 674 CO 0.01 0.00 -0.72 -0.45 0.00 0.00 0.00 176.54 175.38 2x38 s SER 675 N -6.34 1.88 0.18 0.19 0.15 -0.53 -4.22 113.70 105.01 2x38 s SER 675 Ca 0.05 -1.50 -0.13 0.00 0.70 0.00 0.00 55.95 55.07 2x38 s SER 675 Cb 0.07 0.26 0.12 0.00 -1.71 0.00 0.00 66.02 64.76 2x38 s SER 675 CO 0.72 -0.32 1.80 0.74 1.20 0.00 0.00 173.24 177.39 2x38 h THR 676 N 5.44 1.02 0.10 6.45 2.02 -1.79 -2.21 112.91 123.95 2x38 h THR 676 Ca -0.01 -0.20 -0.00 0.00 0.77 0.00 0.00 66.41 66.97 2x38 h THR 676 Cb 1.04 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 67.84 2x38 h THR 676 CO 0.27 0.11 -0.05 -0.74 0.37 0.00 0.00 175.52 175.47 2x38 h HIS 677 N 0.58 -0.14 -0.25 3.16 -0.00 -1.83 -2.95 115.15 113.72 2x38 h HIS 677 Ca 0.22 -0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 60.54 2x38 h HIS 677 Cb 0.06 0.05 -0.01 0.00 -0.00 0.00 0.00 27.41 27.51 2x38 h HIS 677 CO -0.08 -0.09 -0.04 1.25 -0.00 0.00 0.00 177.93 178.97 2x38 h HIS 678 N -0.15 0.39 -0.68 5.26 -0.00 -1.88 -1.72 115.15 116.38 2x38 h HIS 678 Ca -0.01 -0.04 0.13 0.00 -0.00 0.00 0.00 60.37 60.46 2x38 h HIS 678 Cb 0.12 -0.11 -0.10 0.00 -0.00 0.00 0.00 27.41 27.32 2x38 h HIS 678 CO -0.08 0.43 0.18 1.98 -0.00 0.00 0.00 177.93 180.44 2x38 h MET 679 N 0.37 0.29 -0.26 5.26 -1.53 -1.23 0.99 114.93 118.81 2x38 h MET 679 Ca 0.08 -0.02 -0.15 0.00 -3.44 0.00 0.00 59.70 56.17 2x38 h MET 679 Cb 0.32 -0.06 -0.01 0.00 -0.55 0.00 0.00 31.60 31.30 2x38 h MET 679 CO 0.01 0.19 -0.45 0.87 0.14 0.00 0.00 176.91 177.67 2x38 h LYS 680 N 0.30 0.67 -0.81 0.39 1.57 -1.19 -0.10 116.57 117.40 2x38 h LYS 680 Ca 0.37 -0.37 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 2x38 h LYS 680 Cb 0.58 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.87 2x38 h LYS 680 CO -0.44 0.99 0.53 0.28 -0.57 0.00 0.00 179.45 180.23 2x38 h VAL 681 N 0.54 1.19 -0.15 0.50 2.07 -0.97 -2.03 116.25 117.40 2x38 h VAL 681 Ca 0.03 -0.37 -0.16 0.00 0.82 0.00 0.00 66.70 67.02 2x38 h VAL 681 Cb 0.99 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 2x38 h VAL 681 CO 0.09 0.20 -0.59 -0.07 0.02 0.00 0.00 177.57 177.22 2x38 h LEU 682 N 1.08 0.56 -0.44 2.57 3.38 -0.54 -2.88 115.31 119.03 2x38 h LEU 682 Ca 0.30 -0.32 0.03 0.00 0.09 0.00 0.00 57.88 57.99 2x38 h LEU 682 Cb -0.10 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.46 2x38 h LEU 682 CO -0.08 1.03 0.23 0.24 0.09 0.00 0.00 178.44 179.95 2x38 h MET 683 N 0.37 0.45 -0.64 1.13 2.86 -0.88 0.61 114.93 118.83 2x38 h MET 683 Ca -0.00 -0.03 0.11 0.00 -2.06 0.00 0.00 59.70 57.73 2x38 h MET 683 Cb 1.14 -0.10 -0.08 0.00 0.06 0.00 0.00 31.60 32.61 2x38 h MET 683 CO 0.11 0.30 0.19 -0.22 1.06 0.00 0.00 176.91 178.35 2x38 h LYS 684 N 0.46 0.33 -0.60 1.72 1.63 -1.32 0.48 116.57 119.28 2x38 h LYS 684 Ca 0.19 -0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 59.94 2x38 h LYS 684 Cb 0.08 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 31.61 2x38 h LYS 684 CO -0.12 0.22 0.26 1.96 -3.45 0.00 0.00 179.45 178.32 2x38 h GLN 685 N 0.34 0.88 -0.27 1.90 4.20 -1.14 -1.53 115.11 119.48 2x38 h GLN 685 Ca 0.34 -0.14 -0.10 0.00 0.06 0.00 0.00 58.65 58.80 2x38 h GLN 685 Cb 0.48 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 2x38 h GLN 685 CO -0.38 0.73 -0.26 0.78 -0.67 0.00 0.00 178.83 179.03 2x38 h GLY 686 N 0.82 0.58 1.29 3.46 0.00 -0.18 -1.81 103.07 107.22 2x38 h GLY 686 Ca 0.20 -0.48 -0.06 0.00 0.00 0.00 0.00 47.33 46.99 2x38 h GLY 686 CO -0.02 0.44 0.08 0.83 0.00 0.00 0.00 176.54 177.87 2x38 h GLU 687 N 0.47 0.88 -0.54 4.80 5.08 0.11 -0.50 114.58 124.89 2x38 h GLU 687 Ca 0.07 -0.21 -0.10 0.00 -1.00 0.00 0.00 59.36 58.11 2x38 h GLU 687 Cb 0.70 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 2x38 h GLU 687 CO 0.05 0.83 -0.07 0.00 -1.00 0.00 0.00 179.01 178.82 2x38 h ALA 688 N 1.25 0.73 -0.28 3.43 0.00 -0.75 -2.73 119.26 120.92 2x38 h ALA 688 Ca 0.17 -0.33 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 2x38 h ALA 688 Cb 0.38 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2x38 h ALA 688 CO 0.01 0.62 -0.29 -0.07 0.00 0.00 0.00 179.25 179.51 2x38 h LEU 689 N 0.87 0.58 -0.61 0.00 3.38 -1.12 -1.55 115.31 116.86 2x38 h LEU 689 Ca 0.14 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2x38 h LEU 689 Cb 0.63 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 2x38 h LEU 689 CO 0.04 0.85 0.38 -1.28 0.09 0.00 0.00 178.44 178.53 2x38 h SER 690 N 0.49 0.72 -0.15 -0.43 0.87 -0.98 -2.12 113.55 111.95 2x38 h SER 690 Ca 0.06 -0.04 -0.09 0.00 -1.23 0.00 0.00 61.79 60.48 2x38 h SER 690 Cb 0.76 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.52 2x38 h SER 690 CO 0.06 0.55 -0.20 0.11 -0.53 0.00 0.00 176.83 176.83 2x38 h LYS 691 N 0.83 0.57 -0.54 2.24 1.79 -1.17 -2.28 116.57 118.01 2x38 h LYS 691 Ca 0.22 -0.20 -0.11 0.00 -2.18 0.00 0.00 60.65 58.38 2x38 h LYS 691 Cb -0.05 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.54 2x38 h LYS 691 CO -0.04 0.74 -0.10 -0.07 -1.08 0.00 0.00 179.45 178.90 2x38 h LEU 692 N 0.51 1.02 0.03 2.94 3.38 -1.18 0.56 115.31 122.57 2x38 h LEU 692 Ca 0.08 -0.35 0.01 0.00 0.09 0.00 0.00 57.88 57.72 2x38 h LEU 692 Cb 0.63 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 2x38 h LEU 692 CO 0.04 1.13 -0.11 0.50 0.09 0.00 0.00 178.44 180.09 2x38 h LYS 693 N 0.89 -0.19 -0.82 1.13 1.63 -1.16 0.33 116.57 118.39 2x38 h LYS 693 Ca 0.14 0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.94 2x38 h LYS 693 Cb 0.66 0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 32.30 2x38 h LYS 693 CO 0.05 -0.13 0.46 0.00 -3.45 0.00 0.00 179.45 176.38 2x38 h ALA 694 N 0.75 1.05 -0.49 5.00 0.00 -1.25 0.37 119.26 124.70 2x38 h ALA 694 Ca 0.03 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2x38 h ALA 694 Cb 0.23 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2x38 h ALA 694 CO -0.09 0.55 0.20 1.25 0.00 0.00 0.00 179.25 181.16 2x38 h LEU 695 N 1.14 0.68 -0.41 0.00 5.85 -0.61 -2.03 115.31 119.92 2x38 h LEU 695 Ca 0.29 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 2x38 h LEU 695 Cb 0.01 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 2x38 h LEU 695 CO -0.05 0.66 0.23 -1.13 -0.34 0.00 0.00 178.44 177.82 2x38 h ASN 696 N 0.65 0.51 -0.52 1.25 -0.73 0.18 -1.43 115.58 115.49 2x38 h ASN 696 Ca 0.16 -0.08 0.08 0.00 1.87 0.00 0.00 56.30 58.34 2x38 h ASN 696 Cb 0.20 -0.13 -0.07 0.00 0.27 0.00 0.00 38.32 38.59 2x38 h ASN 696 CO -0.01 0.44 0.15 0.44 -0.37 0.00 0.00 177.43 178.07 2x38 h ASP 697 N 0.54 0.09 -0.18 1.15 3.32 -0.84 -0.20 116.42 120.30 2x38 h ASP 697 Ca 0.15 0.08 0.04 0.00 0.02 0.00 0.00 57.03 57.31 2x38 h ASP 697 Cb 0.04 0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.64 2x38 h ASP 697 CO -0.02 0.08 -0.06 0.15 -1.72 0.00 0.00 179.24 177.66 2x38 h PHE 698 N 0.30 -0.14 -1.01 4.55 3.57 -1.03 -1.58 116.94 121.60 2x38 h PHE 698 Ca 0.26 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.80 2x38 h PHE 698 Cb 0.32 0.09 -0.05 0.00 2.79 0.00 0.00 35.95 39.10 2x38 h PHE 698 CO -0.20 -0.10 0.66 0.28 -2.23 0.00 0.00 178.31 176.72 2x38 h VAL 699 N -0.03 1.23 -0.29 1.41 2.07 -0.82 0.20 116.25 120.02 2x38 h VAL 699 Ca 0.09 -0.46 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 2x38 h VAL 699 Cb 0.17 -0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 29.70 2x38 h VAL 699 CO -0.20 0.24 0.16 0.11 0.02 0.00 0.00 177.57 177.90 2x38 h LYS 700 N 1.33 0.40 0.38 1.57 1.57 -0.69 0.36 116.57 121.49 2x38 h LYS 700 Ca 0.38 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 59.09 2x38 h LYS 700 Cb -0.10 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.14 2x38 h LYS 700 CO -0.10 0.35 -0.18 0.28 -0.57 0.00 0.00 179.45 179.23 2x38 h VAL 701 N 0.35 0.58 -0.53 0.50 2.07 -0.94 -3.27 116.25 115.01 2x38 h VAL 701 Ca 0.10 -0.49 0.08 0.00 0.82 0.00 0.00 66.70 67.21 2x38 h VAL 701 Cb 0.07 0.81 -0.06 0.00 -1.52 0.00 0.00 31.29 30.58 2x38 h VAL 701 CO -0.02 0.09 0.19 -1.28 0.02 0.00 0.00 177.57 176.57 2x38 h SER 702 N -0.81 0.19 0.18 0.57 0.87 -0.60 -2.26 113.55 111.69 2x38 h SER 702 Ca -0.05 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2x38 h SER 702 Cb 0.53 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.54 2x38 h SER 702 CO 0.09 0.13 0.00 0.77 -0.53 0.00 0.00 176.83 177.29 2x38 h SER 703 N 0.37 0.00 1.34 6.23 4.64 -0.99 -0.56 113.55 124.58 2x38 h SER 703 Ca 0.26 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.52 2x38 h SER 703 Cb 0.29 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 2x38 h SER 703 CO -0.26 0.00 -0.68 1.56 -0.87 0.00 0.00 176.83 176.57 2x38 h GLN 704 N 0.00 0.00 -0.01 4.77 4.20 -1.45 -3.35 115.11 119.27 2x38 h GLN 704 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2x38 h GLN 704 Cb 0.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.87 2x38 h GLN 704 CO 0.00 0.17 -0.19 1.63 -0.67 0.00 0.00 178.83 179.77 2x38 n LYS 705 N -2.96 1.54 -3.87 1.46 4.01 -0.28 -5.04 118.16 113.03 2x38 n LYS 705 Ca -0.00 -1.01 -0.09 0.00 -0.51 0.00 0.00 58.31 56.70 2x38 n LYS 705 Cb 0.64 -1.26 -0.04 0.00 -0.51 0.00 0.00 35.03 33.87 2x38 n LYS 705 CO 0.00 0.00 0.00 -0.08 -1.11 0.00 0.00 177.40 176.21 2x38 s THR 706 N -1.59 0.01 0.67 -0.18 -1.32 -0.83 -5.12 115.64 107.28 2x38 s THR 706 Ca 0.14 -1.08 -0.11 0.00 -1.21 0.00 0.00 61.69 59.43 2x38 s THR 706 Cb 0.12 -1.93 -0.01 0.00 -1.51 0.00 0.00 72.50 69.18 2x38 s THR 706 CO 0.30 -0.04 1.06 0.42 -2.21 0.00 0.00 174.62 174.15 2x38 s THR 707 N -3.94 4.05 0.12 5.08 -4.23 -1.26 -4.63 115.64 110.83 2x38 s THR 707 Ca 0.15 0.67 -0.20 0.00 -1.18 0.00 0.00 61.69 61.12 2x38 s THR 707 Cb -0.02 -3.61 -0.05 0.00 1.34 0.00 0.00 72.50 70.15 2x38 s THR 707 CO 0.04 -0.87 1.73 0.50 -0.54 0.00 0.00 174.62 175.49 2x38 h LYS 708 N -0.55 0.10 -0.59 3.99 3.64 -1.98 -1.09 116.57 120.09 2x38 h LYS 708 Ca -0.45 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 58.99 2x38 h LYS 708 Cb 1.22 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.98 2x38 h LYS 708 CO 0.62 0.06 0.39 -1.00 -2.27 0.00 0.00 179.45 177.26 2x38 h PRO 709 N 0.10 0.54 -0.45 1.90 0.13 -1.99 0.11 132.00 132.34 2x38 h PRO 709 Ca 0.08 -0.03 -0.11 0.00 -0.87 0.00 0.00 66.00 65.07 2x38 h PRO 709 Cb 0.08 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 31.08 2x38 h PRO 709 CO -0.12 0.36 -0.13 1.96 -0.23 0.00 0.00 178.00 179.84 2x38 h GLN 710 N 0.55 0.89 -0.07 0.86 4.20 -1.69 -1.75 115.11 118.11 2x38 h GLN 710 Ca 0.26 -0.35 -0.20 0.00 0.06 0.00 0.00 58.65 58.42 2x38 h GLN 710 Cb 0.31 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.04 2x38 h GLN 710 CO -0.08 1.00 -0.78 1.15 -0.67 0.00 0.00 178.83 179.45 2x38 h THR 711 N 0.72 1.38 0.18 -0.54 2.02 -0.76 -2.64 112.91 113.27 2x38 h THR 711 Ca 0.11 -2.20 -0.01 0.00 0.77 0.00 0.00 66.41 65.08 2x38 h THR 711 Cb 0.68 2.17 0.00 0.00 -1.74 0.00 0.00 68.15 69.27 2x38 h THR 711 CO 0.05 0.66 -0.09 0.50 0.37 0.00 0.00 175.52 177.02 2x38 h LYS 712 N 0.29 -0.23 -0.84 6.66 3.64 -0.89 0.30 116.57 125.49 2x38 h LYS 712 Ca -0.04 0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.43 2x38 h LYS 712 Cb 1.38 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 33.19 2x38 h LYS 712 CO 0.14 -0.06 0.55 1.49 -2.27 0.00 0.00 179.45 179.30 2x38 h GLU 713 N -0.37 0.86 -0.55 1.90 4.81 -1.37 -1.20 114.58 118.66 2x38 h GLU 713 Ca -0.02 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.06 2x38 h GLU 713 Cb 0.28 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 2x38 h GLU 713 CO 0.04 0.57 -0.01 0.52 -0.73 0.00 0.00 179.01 179.40 2x38 h MET 714 N 0.88 0.97 -0.36 1.92 2.86 -1.08 -2.14 114.93 117.98 2x38 h MET 714 Ca 0.38 -0.31 0.05 0.00 -2.06 0.00 0.00 59.70 57.75 2x38 h MET 714 Cb 0.31 -0.09 -0.05 0.00 0.06 0.00 0.00 31.60 31.83 2x38 h MET 714 CO -0.14 0.98 0.08 1.98 1.06 0.00 0.00 176.91 180.87 2x38 h MET 715 N 0.85 0.20 -0.54 1.72 1.85 0.42 -0.15 114.93 119.29 2x38 h MET 715 Ca 0.15 -0.01 0.03 0.00 -0.61 0.00 0.00 59.70 59.26 2x38 h MET 715 Cb 0.55 -0.04 -0.04 0.00 0.43 0.00 0.00 31.60 32.50 2x38 h MET 715 CO 0.03 0.13 0.32 0.45 -0.40 0.00 0.00 176.91 177.44 2x38 h HIS 716 N 0.20 0.59 -0.76 1.39 -0.00 -1.13 0.31 115.15 115.75 2x38 h HIS 716 Ca 0.17 0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 60.51 2x38 h HIS 716 Cb 0.19 -0.19 -0.03 0.00 -0.00 0.00 0.00 27.41 27.38 2x38 h HIS 716 CO -0.18 0.33 0.30 0.52 -0.00 0.00 0.00 177.93 178.90 2x38 h MET 717 N 0.63 1.14 -0.74 2.45 2.86 -1.14 0.32 114.93 120.46 2x38 h MET 717 Ca 0.22 -0.21 0.01 0.00 -2.06 0.00 0.00 59.70 57.66 2x38 h MET 717 Cb 0.04 -0.18 -0.04 0.00 0.06 0.00 0.00 31.60 31.48 2x38 h MET 717 CO -0.11 0.93 0.48 0.00 1.06 0.00 0.00 176.91 179.28 2x38 h MET 719 N 0.97 0.25 0.00 0.00 2.86 -0.50 -2.86 114.93 115.65 2x38 h MET 719 Ca 0.28 -0.14 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 2x38 h MET 719 Cb -0.08 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.60 2x38 h MET 719 CO -0.07 0.70 0.00 0.54 1.06 0.00 0.00 176.91 179.14 2x38 n ARG 720 N -3.94 0.73 -1.88 1.72 1.74 0.06 -2.85 116.66 112.24 2x38 n ARG 720 Ca -0.02 0.01 -0.40 0.00 -0.77 0.00 0.00 57.85 56.67 2x38 n ARG 720 Cb 0.55 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 30.50 2x38 n ARG 720 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2x38 s GLN 721 N -2.24 3.76 0.24 5.56 -0.21 -1.08 -4.80 119.66 120.89 2x38 s GLN 721 Ca 0.38 2.32 -0.05 0.00 0.02 0.00 0.00 55.36 58.04 2x38 s GLN 721 Cb 0.20 -2.67 0.41 0.00 1.00 0.00 0.00 33.01 31.95 2x38 s GLN 721 CO 0.39 -0.72 1.77 0.93 -2.12 0.00 0.00 175.29 175.53 2x38 h GLU 722 N 2.41 0.58 -0.65 2.91 5.08 -1.90 -0.35 114.58 122.65 2x38 h GLU 722 Ca -0.50 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 57.86 2x38 h GLU 722 Cb 1.26 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 30.34 2x38 h GLU 722 CO 0.61 0.38 0.43 1.79 -1.00 0.00 0.00 179.01 181.23 2x38 h THR 723 N 0.60 1.06 0.00 1.13 1.35 -1.93 -1.50 112.91 113.62 2x38 h THR 723 Ca 0.39 -0.25 -0.01 0.00 -0.55 0.00 0.00 66.41 65.99 2x38 h THR 723 Cb 0.48 0.26 -0.00 0.00 -1.73 0.00 0.00 68.15 67.16 2x38 h THR 723 CO -0.31 0.14 -0.04 1.88 -0.25 0.00 0.00 175.52 176.93 2x38 h TYR 724 N 0.74 0.00 -0.85 4.73 -1.99 -1.37 -2.45 116.97 115.77 2x38 h TYR 724 Ca 0.27 0.00 0.14 0.00 2.00 0.00 0.00 58.73 61.13 2x38 h TYR 724 Cb 0.13 0.00 -0.09 0.00 2.00 0.00 0.00 36.73 38.77 2x38 h TYR 724 CO -0.00 0.95 0.45 0.52 -0.00 0.00 0.00 178.16 180.09 2x38 h MET 725 N -1.00 0.65 0.13 4.88 2.86 -0.98 0.13 114.93 121.59 2x38 h MET 725 Ca -0.01 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 2x38 h MET 725 Cb 0.95 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.46 2x38 h MET 725 CO -0.01 0.43 -0.06 1.49 1.06 0.00 0.00 176.91 179.82 2x38 h GLU 726 N 0.67 -0.16 -0.33 1.72 4.81 -1.41 -2.93 114.58 116.95 2x38 h GLU 726 Ca 0.45 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.65 2x38 h GLU 726 Cb 0.60 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.00 2x38 h GLU 726 CO -0.34 0.26 0.02 0.00 -0.73 0.00 0.00 179.01 178.22 2x38 h ALA 727 N 0.12 1.43 -0.00 2.92 0.00 -0.90 -3.07 119.26 119.75 2x38 h ALA 727 Ca -0.02 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2x38 h ALA 727 Cb 0.49 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2x38 h ALA 727 CO 0.03 0.41 -0.10 1.28 0.00 0.00 0.00 179.25 180.87 2x38 n LEU 728 N -4.30 0.53 -4.49 0.00 4.77 0.40 -3.99 117.00 109.92 2x38 n LEU 728 Ca 0.01 -0.04 -0.26 0.00 -0.03 0.00 0.00 56.01 55.70 2x38 n LEU 728 Cb 0.22 -0.16 -0.10 0.00 -2.33 0.00 0.00 43.42 41.05 2x38 n LEU 728 CO 0.38 0.10 -0.48 -0.44 -1.33 0.00 0.00 177.39 175.62 2x38 s SER 729 N -2.41 3.77 -1.05 -1.43 0.01 -1.11 -4.60 113.70 106.89 2x38 s SER 729 Ca 0.30 -0.79 -0.05 0.00 1.31 0.00 0.00 55.95 56.72 2x38 s SER 729 Cb 0.20 -0.44 -0.06 0.00 0.21 0.00 0.00 66.02 65.93 2x38 s SER 729 CO 0.46 0.10 0.91 1.41 0.41 0.00 0.00 173.24 176.53 2x38 n HIS 730 N 0.02 -2.41 -4.23 2.43 8.25 0.55 -4.95 115.22 114.88 2x38 n HIS 730 Ca -0.11 0.85 -0.13 0.00 -0.26 0.00 0.00 57.72 58.08 2x38 n HIS 730 Cb 0.56 -4.18 -0.10 0.00 1.12 0.00 0.00 29.99 27.39 2x38 n HIS 730 CO 0.00 0.00 0.00 -0.48 0.64 0.00 0.00 176.34 176.50 2x38 s LEU 731 N -5.43 2.27 0.22 2.41 2.34 -0.35 -4.98 118.68 115.15 2x38 s LEU 731 Ca 0.42 -1.11 -0.30 0.00 0.06 0.00 0.00 54.13 53.19 2x38 s LEU 731 Cb -0.05 -0.11 -0.08 0.00 -0.56 0.00 0.00 46.19 45.38 2x38 s LEU 731 CO 0.73 -0.51 1.01 -1.10 -1.06 0.00 0.00 176.35 175.42 2x38 s GLN 732 N -3.87 4.73 0.17 1.48 -0.21 -1.26 0.46 119.66 121.16 2x38 s GLN 732 Ca 0.20 1.61 -0.31 0.00 0.02 0.00 0.00 55.36 56.88 2x38 s GLN 732 Cb 0.05 -3.27 -0.10 0.00 1.00 0.00 0.00 33.01 30.70 2x38 s GLN 732 CO 0.02 0.31 1.49 0.45 -2.12 0.00 0.00 175.29 175.45 2x38 s SER 733 N -0.74 6.66 0.50 5.90 0.15 -0.14 -4.84 113.70 121.18 2x38 s SER 733 Ca 0.44 2.56 0.16 0.00 0.70 0.00 0.00 55.95 59.81 2x38 s SER 733 Cb -0.28 -2.60 1.21 0.00 -1.71 0.00 0.00 66.02 62.64 2x38 s SER 733 CO 0.35 -0.75 2.11 -0.65 1.20 0.00 0.00 173.24 175.50 2x38 h PRO 734 N 6.35 0.10 0.00 5.44 0.11 -1.95 -2.10 132.00 139.94 2x38 h PRO 734 Ca -0.43 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.65 2x38 h PRO 734 Cb 1.21 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 2x38 h PRO 734 CO 0.87 0.06 -0.08 -0.07 -0.21 0.00 0.00 178.00 178.57 2x38 h LEU 735 N 0.10 0.00 -6.00 2.35 3.38 -1.95 -3.43 115.31 109.76 2x38 h LEU 735 Ca 0.06 0.00 0.21 0.00 0.09 0.00 0.00 57.88 58.24 2x38 h LEU 735 Cb 0.13 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 40.69 2x38 h LEU 735 CO -0.01 0.08 -0.01 -0.62 0.09 0.00 0.00 178.44 177.97 2x38 s ASP 736 N -5.85 -0.50 0.00 -0.43 2.15 -0.81 -4.88 116.67 106.35 2x38 s ASP 736 Ca -0.01 0.09 0.04 0.00 0.43 0.00 0.00 52.55 53.10 2x38 s ASP 736 Cb 0.11 1.33 0.18 0.00 -0.30 0.00 0.00 42.92 44.24 2x38 s ASP 736 CO 0.55 -0.09 1.11 -0.81 -0.17 0.00 0.00 175.17 175.76 2x38 n PRO 737 N 5.19 0.01 0.04 4.34 -0.04 -1.12 -1.01 135.00 142.41 2x38 n PRO 737 Ca 0.07 0.41 0.12 0.00 -0.04 0.00 0.00 63.50 64.05 2x38 n PRO 737 Cb 0.57 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.69 2x38 n PRO 737 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2x38 n SER 738 N -1.47 0.63 -4.65 3.54 3.41 -1.26 -4.63 113.62 109.19 2x38 n SER 738 Ca 0.01 -0.02 -0.41 0.00 -0.26 0.00 0.00 58.87 58.19 2x38 n SER 738 Cb 0.05 0.30 -0.05 0.00 -0.26 0.00 0.00 64.21 64.24 2x38 n SER 738 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2x38 s THR 739 N -3.13 4.94 -0.12 6.66 2.01 -0.18 -0.64 115.64 125.18 2x38 s THR 739 Ca 0.07 1.37 -0.18 0.00 0.31 0.00 0.00 61.69 63.25 2x38 s THR 739 Cb 0.15 -4.03 -0.04 0.00 0.01 0.00 0.00 72.50 68.59 2x38 s THR 739 CO 0.73 0.04 0.48 -0.76 -0.69 0.00 0.00 174.62 174.42 2x38 s LEU 740 N 2.26 4.27 -0.55 4.42 1.43 -1.26 -0.97 118.68 128.27 2x38 s LEU 740 Ca 0.32 0.81 -0.11 0.00 -1.03 0.00 0.00 54.13 54.12 2x38 s LEU 740 Cb -0.16 -2.70 0.14 0.00 0.03 0.00 0.00 46.19 43.50 2x38 s LEU 740 CO 0.10 -0.01 0.45 -0.76 0.23 0.00 0.00 176.35 176.36 2x38 s LEU 741 N 0.69 5.92 0.00 1.79 1.43 0.17 -4.91 118.68 123.77 2x38 s LEU 741 Ca 0.26 -2.10 0.00 0.00 -1.03 0.00 0.00 54.13 51.26 2x38 s LEU 741 Cb -0.15 -2.07 0.00 0.00 0.03 0.00 0.00 46.19 44.00 2x38 s LEU 741 CO 0.10 -0.68 0.00 -0.62 0.23 0.00 0.00 176.35 175.38 2x38 n GLU 742 N 4.69 0.00 -3.19 1.70 -0.58 -1.26 -1.16 120.64 120.84 2x38 n GLU 742 Ca -0.04 0.00 -0.39 0.00 -0.42 0.00 0.00 57.16 56.30 2x38 n GLU 742 Cb 0.41 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 31.22 2x38 n GLU 742 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 2x38 s GLU 743 N 0.14 4.26 0.25 3.49 1.03 -0.53 -0.33 118.70 127.02 2x38 s GLU 743 Ca 0.00 0.55 -0.30 0.00 0.03 0.00 0.00 54.97 55.25 2x38 s GLU 743 Cb 0.00 -3.53 -0.10 0.00 -0.80 0.00 0.00 34.13 29.70 2x38 s GLU 743 CO 0.00 -0.09 1.45 0.54 -1.33 0.00 0.00 175.26 175.83 2x38 s VAL 744 N 1.41 2.62 -0.70 1.83 0.11 -1.26 -0.88 120.40 123.52 2x38 s VAL 744 Ca 0.28 0.52 -0.11 0.00 -2.93 0.00 0.00 61.98 59.74 2x38 s VAL 744 Cb -0.16 -3.33 0.18 0.00 -1.53 0.00 0.00 36.38 31.54 2x38 s VAL 744 CO 0.11 0.08 0.61 0.00 -3.33 0.00 0.00 175.10 172.57 2x38 h VAL 746 N 5.18 1.16 -0.13 0.00 2.07 -1.93 -2.21 116.25 120.39 2x38 h VAL 746 Ca -0.00 -0.41 0.04 0.00 0.82 0.00 0.00 66.70 67.14 2x38 h VAL 746 Cb 1.03 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 2x38 h VAL 746 CO 0.79 0.17 0.10 -0.33 0.02 0.00 0.00 177.57 178.32 2x38 h GLU 747 N 0.61 0.00 -0.04 1.57 4.39 -1.97 0.83 114.58 119.97 2x38 h GLU 747 Ca 0.16 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.86 2x38 h GLU 747 Cb 0.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 2x38 h GLU 747 CO -0.03 0.00 0.00 1.04 -1.16 0.00 0.00 179.01 178.86 2x38 n GLN 748 N -4.33 1.86 -3.19 2.33 6.02 -0.84 -4.90 117.38 114.32 2x38 n GLN 748 Ca 0.00 -1.25 -0.34 0.00 -0.01 0.00 0.00 57.00 55.40 2x38 n GLN 748 Cb 0.22 -1.47 -0.06 0.00 1.02 0.00 0.00 30.24 29.95 2x38 n GLN 748 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2x38 n THR 750 N 0.17 0.00 -3.70 0.00 5.66 -0.69 -4.96 114.28 110.76 2x38 n THR 750 Ca 0.00 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.88 2x38 n THR 750 Cb 0.52 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.24 2x38 n THR 750 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 2x38 s PHE 751 N -3.27 -0.18 -0.40 1.09 -0.12 -1.26 -1.59 117.98 112.25 2x38 s PHE 751 Ca 0.00 0.05 -0.28 0.00 -0.05 0.00 0.00 56.93 56.65 2x38 s PHE 751 Cb 0.00 0.17 0.02 0.00 -0.63 0.00 0.00 43.02 42.58 2x38 s PHE 751 CO 0.00 -0.56 1.07 1.41 -0.05 0.00 0.00 175.22 177.08 2x38 s MET 752 N -2.73 3.87 -1.29 1.99 -2.45 -0.66 -4.94 119.30 113.09 2x38 s MET 752 Ca -0.04 0.74 -0.08 0.00 -1.25 0.00 0.00 55.69 55.06 2x38 s MET 752 Cb -0.00 -3.82 -0.09 0.00 1.25 0.00 0.00 34.83 32.17 2x38 s MET 752 CO -0.04 -1.11 2.69 -3.47 1.05 0.00 0.00 175.02 174.13 2x38 n ASP 753 N 7.24 7.21 -3.51 1.11 2.03 -1.26 -3.92 116.55 125.45 2x38 n ASP 753 Ca 0.11 -2.47 -0.10 0.00 0.52 0.00 0.00 54.79 52.85 2x38 n ASP 753 Cb 0.48 -1.38 -0.03 0.00 -0.72 0.00 0.00 41.12 39.47 2x38 n ASP 753 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2x38 s SER 754 N 2.59 -0.42 1.41 1.67 1.04 -1.26 -5.04 113.70 113.69 2x38 s SER 754 Ca 0.59 0.16 0.00 0.00 0.48 0.00 0.00 55.95 57.18 2x38 s SER 754 Cb 0.16 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.69 2x38 s SER 754 CO -0.05 -0.60 0.00 0.29 0.98 0.00 0.00 173.24 173.86 2x38 n LYS 755 N 0.06 0.00 -0.10 4.02 5.02 -1.26 -1.50 118.16 124.40 2x38 n LYS 755 Ca -0.11 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.27 2x38 n LYS 755 Cb 0.61 0.00 0.32 0.00 -0.02 0.00 0.00 35.03 35.93 2x38 n LYS 755 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 2x38 n MET 756 N 4.13 1.68 -3.97 1.97 2.81 -1.26 -4.95 117.12 117.52 2x38 n MET 756 Ca 0.00 -1.03 -0.40 0.00 -1.81 0.00 0.00 57.70 54.46 2x38 n MET 756 Cb 0.00 -1.34 0.02 0.00 -0.71 0.00 0.00 33.22 31.19 2x38 n MET 756 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2x38 n LYS 757 N 0.27 -0.73 -1.63 0.03 4.76 -0.56 -4.66 118.16 115.64 2x38 n LYS 757 Ca 0.14 0.20 -0.35 0.00 -2.87 0.00 0.00 58.31 55.44 2x38 n LYS 757 Cb 0.29 -3.16 0.07 0.00 -1.84 0.00 0.00 35.03 30.39 2x38 n LYS 757 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2x38 s PRO 758 N -6.97 2.44 0.01 1.97 0.04 -1.26 -4.68 135.00 126.55 2x38 s PRO 758 Ca 0.43 1.74 -0.08 0.00 0.04 0.00 0.00 61.00 63.14 2x38 s PRO 758 Cb -0.21 -1.87 -0.05 0.00 0.04 0.00 0.00 34.50 32.41 2x38 s PRO 758 CO 0.94 -1.60 0.29 -0.51 0.04 0.00 0.00 177.00 176.16 2x38 s LEU 759 N -4.82 4.37 -0.31 -3.56 1.43 0.31 -1.65 118.68 114.46 2x38 s LEU 759 Ca 0.74 0.61 -0.04 0.00 -1.03 0.00 0.00 54.13 54.42 2x38 s LEU 759 Cb -0.29 -2.68 0.04 0.00 0.03 0.00 0.00 46.19 43.29 2x38 s LEU 759 CO 0.42 0.26 0.04 0.86 0.23 0.00 0.00 176.35 178.15 2x38 s TRP 760 N -1.28 3.22 -0.21 0.29 -0.11 -0.62 -1.48 118.94 118.74 2x38 s TRP 760 Ca 0.27 -1.52 0.01 0.00 1.22 0.00 0.00 56.10 56.08 2x38 s TRP 760 Cb -0.13 -2.19 0.03 0.00 -1.50 0.00 0.00 33.47 29.68 2x38 s TRP 760 CO 0.15 -0.73 -0.16 0.42 -4.62 0.00 0.00 176.95 172.01 2x38 s ILE 761 N 1.36 2.16 0.16 5.86 -1.09 0.02 -1.70 121.20 127.97 2x38 s ILE 761 Ca -0.02 -1.15 0.02 0.00 -2.23 0.00 0.00 60.65 57.26 2x38 s ILE 761 Cb -0.19 -2.03 -0.04 0.00 -1.58 0.00 0.00 42.46 38.62 2x38 s ILE 761 CO 0.00 0.34 0.31 -0.04 -1.23 0.00 0.00 174.94 174.32 2x38 s MET 762 N 1.24 3.46 0.10 2.79 -1.94 -1.26 -0.54 119.30 123.15 2x38 s MET 762 Ca 0.00 -0.54 0.02 0.00 -1.71 0.00 0.00 55.69 53.47 2x38 s MET 762 Cb -0.15 -2.94 -0.04 0.00 2.01 0.00 0.00 34.83 33.71 2x38 s MET 762 CO -0.10 0.50 -0.07 0.71 -0.01 0.00 0.00 175.02 176.05 2x38 s TYR 763 N -1.77 0.92 0.09 -0.03 2.02 -0.10 -0.55 117.35 117.94 2x38 s TYR 763 Ca 0.35 -0.90 -0.07 0.00 -0.37 0.00 0.00 57.07 56.08 2x38 s TYR 763 Cb -0.11 -0.53 -0.01 0.00 -0.40 0.00 0.00 41.96 40.91 2x38 s TYR 763 CO 0.29 -0.13 0.16 -1.54 -1.57 0.00 0.00 175.55 172.75 2x38 s SER 764 N -3.05 0.18 -0.09 2.29 1.04 -0.06 -2.92 113.70 111.10 2x38 s SER 764 Ca 0.12 -0.75 -0.03 0.00 0.48 0.00 0.00 55.95 55.77 2x38 s SER 764 Cb 0.05 0.32 0.05 0.00 0.10 0.00 0.00 66.02 66.54 2x38 s SER 764 CO -0.04 -0.72 0.16 -0.55 0.98 0.00 0.00 173.24 173.07 2x38 s SER 765 N -2.89 0.66 0.14 7.02 0.15 -1.23 -1.45 113.70 116.10 2x38 s SER 765 Ca 0.07 0.35 -0.21 0.00 0.70 0.00 0.00 55.95 56.86 2x38 s SER 765 Cb 0.05 0.29 -0.00 0.00 -1.71 0.00 0.00 66.02 64.66 2x38 s SER 765 CO -0.09 -0.24 1.67 -0.33 1.20 0.00 0.00 173.24 175.45 2x38 h GLU 766 N 8.27 -0.12 0.00 5.44 3.07 -1.95 -2.19 114.58 127.09 2x38 h GLU 766 Ca -0.16 0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.71 2x38 h GLU 766 Cb 1.12 0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 29.06 2x38 h GLU 766 CO 0.16 -0.08 -0.03 1.49 -1.40 0.00 0.00 179.01 179.15 2x38 h GLU 767 N -0.13 0.00 0.00 2.33 4.57 -1.98 -1.89 114.58 117.49 2x38 h GLU 767 Ca 0.11 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.29 2x38 h GLU 767 Cb 0.30 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.89 2x38 h GLU 767 CO -0.27 0.03 -0.93 0.00 -1.18 0.00 0.00 179.01 176.66 2x38 n ALA 768 N -2.45 3.70 -0.82 2.92 0.00 -1.14 -3.48 120.51 119.23 2x38 n ALA 768 Ca -0.03 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 52.98 2x38 n ALA 768 Cb 0.11 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.61 2x38 n ALA 768 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x38 n GLY 769 N 1.42 1.09 0.57 0.00 0.00 -0.71 -2.55 105.19 105.01 2x38 n GLY 769 Ca 0.03 -0.65 0.36 0.00 0.00 0.00 0.00 46.02 45.76 2x38 n GLY 769 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2x38 h SER 770 N 9.00 0.00 1.49 1.61 0.02 -1.90 0.37 113.55 124.13 2x38 h SER 770 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2x38 h SER 770 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2x38 h SER 770 CO 0.00 0.00 -0.14 0.00 -1.14 0.00 0.00 176.83 175.55 2x38 h ALA 771 N 0.96 0.91 0.00 3.77 0.00 -1.86 -3.08 119.26 119.97 2x38 h ALA 771 Ca 0.60 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.51 2x38 h ALA 771 Cb 2.83 0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.62 2x38 h ALA 771 CO -0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.65 2x38 n GLY 772 N 1.26 -1.39 3.48 0.00 0.00 0.13 -4.65 105.19 104.01 2x38 n GLY 772 Ca 0.05 -0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 2x38 n GLY 772 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2x38 s ASN 773 N -3.08 6.20 0.03 1.61 0.01 -1.17 -3.55 114.94 114.99 2x38 s ASN 773 Ca 0.12 -0.95 -0.02 0.00 -0.71 0.00 0.00 52.86 51.30 2x38 s ASN 773 Cb 0.16 -2.45 -0.02 0.00 0.41 0.00 0.00 41.25 39.36 2x38 s ASN 773 CO 0.47 -1.51 0.01 0.68 -1.51 0.00 0.00 177.10 175.25 2x38 s VAL 774 N 4.36 0.13 0.13 1.60 -7.23 -1.15 -5.00 120.40 113.25 2x38 s VAL 774 Ca 0.26 -1.10 0.05 0.00 -1.81 0.00 0.00 61.98 59.37 2x38 s VAL 774 Cb -0.14 -0.66 -0.04 0.00 0.56 0.00 0.00 36.38 36.10 2x38 s VAL 774 CO 0.10 -0.61 -0.11 -0.83 -0.31 0.00 0.00 175.10 173.34 2x38 s GLY 775 N -1.88 1.02 0.11 2.32 0.00 -1.26 -0.93 107.32 106.70 2x38 s GLY 775 Ca -0.09 -1.39 0.06 0.00 0.00 0.00 0.00 44.72 43.30 2x38 s GLY 775 CO -0.03 -1.47 -0.14 -0.26 0.00 0.00 0.00 173.10 171.19 2x38 s ILE 776 N -2.91 1.29 -0.16 0.90 -4.36 0.30 -1.72 121.20 114.55 2x38 s ILE 776 Ca 0.13 -1.63 -0.02 0.00 -0.26 0.00 0.00 60.65 58.87 2x38 s ILE 776 Cb -0.00 -1.44 -0.01 0.00 1.25 0.00 0.00 42.46 42.25 2x38 s ILE 776 CO 0.01 -0.37 -0.09 -0.63 0.24 0.00 0.00 174.94 174.09 2x38 s ILE 777 N -1.95 3.26 -0.17 8.37 1.01 0.44 -0.80 121.20 131.37 2x38 s ILE 777 Ca 0.07 -0.57 -0.05 0.00 0.00 0.00 0.00 60.65 60.09 2x38 s ILE 777 Cb -0.06 -2.41 -0.03 0.00 0.01 0.00 0.00 42.46 39.97 2x38 s ILE 777 CO 0.03 0.50 -0.00 0.12 0.00 0.00 0.00 174.94 175.58 2x38 s PHE 778 N 0.63 3.10 -0.02 3.97 5.36 -0.55 -1.14 117.98 129.33 2x38 s PHE 778 Ca -0.05 -0.17 0.02 0.00 -0.96 0.00 0.00 56.93 55.77 2x38 s PHE 778 Cb -0.15 -2.00 0.00 0.00 -0.34 0.00 0.00 43.02 40.53 2x38 s PHE 778 CO 0.03 0.03 -0.08 0.21 -1.46 0.00 0.00 175.22 173.94 2x38 s LYS 779 N 0.37 0.90 -0.06 10.12 2.20 -0.92 -0.53 119.74 131.82 2x38 s LYS 779 Ca -0.02 -0.29 -0.02 0.00 -0.36 0.00 0.00 55.97 55.29 2x38 s LYS 779 Cb -0.14 -0.85 0.03 0.00 -1.51 0.00 0.00 37.83 35.37 2x38 s LYS 779 CO 0.02 0.11 0.02 1.21 -0.36 0.00 0.00 175.35 176.35 2x38 s ASN 780 N 0.18 1.44 0.00 1.43 2.47 -1.26 -2.39 114.94 116.81 2x38 s ASN 780 Ca -0.03 -0.03 0.00 0.00 0.42 0.00 0.00 52.86 53.22 2x38 s ASN 780 Cb -0.08 -0.34 0.00 0.00 -1.45 0.00 0.00 41.25 39.38 2x38 s ASN 780 CO 0.00 -0.21 0.00 0.61 -3.72 0.00 0.00 177.10 173.78 2x38 n GLY 781 N 5.20 1.24 3.49 1.21 0.00 0.03 -4.90 105.19 111.46 2x38 n GLY 781 Ca -0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 2x38 n GLY 781 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2x38 s ASP 782 N -0.15 4.10 -0.16 1.61 1.01 -1.22 -5.00 116.67 116.85 2x38 s ASP 782 Ca 0.00 -0.21 -0.29 0.00 0.71 0.00 0.00 52.55 52.76 2x38 s ASP 782 Cb 0.00 -0.86 -0.04 0.00 1.01 0.00 0.00 42.92 43.03 2x38 s ASP 782 CO 0.00 0.33 1.76 -0.62 0.21 0.00 0.00 175.17 176.86 2x38 s ASP 783 N -0.88 6.29 0.00 0.27 -1.08 -1.26 -4.09 116.67 115.91 2x38 s ASP 783 Ca 0.12 1.90 0.25 0.00 -0.52 0.00 0.00 52.55 54.30 2x38 s ASP 783 Cb -0.11 -2.53 0.43 0.00 -1.46 0.00 0.00 42.92 39.25 2x38 s ASP 783 CO 0.02 -1.29 1.36 0.18 0.52 0.00 0.00 175.17 175.96 2x38 n LEU 784 N 8.63 1.45 -0.06 -1.34 4.77 -1.26 -4.51 117.00 124.68 2x38 n LEU 784 Ca 0.20 -0.47 -0.08 0.00 -0.03 0.00 0.00 56.01 55.63 2x38 n LEU 784 Cb 0.44 -0.07 -0.02 0.00 -2.33 0.00 0.00 43.42 41.45 2x38 n LEU 784 CO 0.65 0.27 0.89 0.03 -1.33 0.00 0.00 177.39 177.91 2x38 h ARG 785 N 1.72 0.14 -0.72 3.23 3.08 -1.98 -1.38 114.38 118.47 2x38 h ARG 785 Ca 0.00 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 2x38 h ARG 785 Cb 0.61 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.60 2x38 h ARG 785 CO 0.00 0.09 0.41 0.37 -1.07 0.00 0.00 179.97 179.78 2x38 h GLN 786 N 0.15 1.00 -0.57 0.04 4.15 -1.94 -0.63 115.11 117.30 2x38 h GLN 786 Ca 0.11 -0.11 -0.00 0.00 0.77 0.00 0.00 58.65 59.42 2x38 h GLN 786 Cb 0.10 -0.20 -0.03 0.00 0.21 0.00 0.00 27.48 27.56 2x38 h GLN 786 CO -0.14 0.73 0.35 -0.44 -1.93 0.00 0.00 178.83 177.40 2x38 h ASP 787 N 0.99 0.68 -0.15 -0.69 3.32 -1.71 -1.51 116.42 117.36 2x38 h ASP 787 Ca 0.26 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.25 2x38 h ASP 787 Cb 0.01 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 2x38 h ASP 787 CO -0.04 0.53 0.06 -0.03 -1.72 0.00 0.00 179.24 178.04 2x38 h MET 788 N 0.76 0.23 -0.16 3.56 4.05 -0.64 -1.50 114.93 121.23 2x38 h MET 788 Ca 0.20 -0.04 0.04 0.00 -0.28 0.00 0.00 59.70 59.62 2x38 h MET 788 Cb -0.03 -0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 30.70 2x38 h MET 788 CO -0.04 0.31 -0.09 1.25 0.23 0.00 0.00 176.91 178.57 2x38 h LEU 789 N 0.09 -0.28 -0.33 3.39 5.85 -1.04 0.21 115.31 123.19 2x38 h LEU 789 Ca 0.05 0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.89 2x38 h LEU 789 Cb 0.17 0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.31 2x38 h LEU 789 CO -0.00 -0.12 0.05 0.74 -0.34 0.00 0.00 178.44 178.77 2x38 h THR 790 N -0.07 0.82 -0.38 1.05 2.02 -1.18 -1.14 112.91 114.02 2x38 h THR 790 Ca 0.09 -0.05 -0.09 0.00 0.77 0.00 0.00 66.41 67.13 2x38 h THR 790 Cb 0.21 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 2x38 h THR 790 CO -0.21 0.03 -0.12 -0.07 0.37 0.00 0.00 175.52 175.52 2x38 h LEU 791 N 0.16 0.67 -1.10 2.58 3.38 -1.04 -1.62 115.31 118.34 2x38 h LEU 791 Ca 0.16 -0.19 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 2x38 h LEU 791 Cb 0.19 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2x38 h LEU 791 CO -0.22 0.81 -0.26 1.56 0.09 0.00 0.00 178.44 180.42 2x38 h GLN 792 N 0.62 0.31 -0.12 1.13 4.20 -0.48 -0.96 115.11 119.80 2x38 h GLN 792 Ca 0.11 -0.11 -0.23 0.00 0.06 0.00 0.00 58.65 58.48 2x38 h GLN 792 Cb 0.57 -0.02 0.01 0.00 0.30 0.00 0.00 27.48 28.33 2x38 h GLN 792 CO 0.04 0.55 -0.82 0.52 -0.67 0.00 0.00 178.83 178.45 2x38 h MET 793 N 0.27 0.75 -0.44 1.46 2.86 -0.83 0.24 114.93 119.25 2x38 h MET 793 Ca 0.04 -0.64 -0.00 0.00 -2.06 0.00 0.00 59.70 57.04 2x38 h MET 793 Cb 0.62 0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.40 2x38 h MET 793 CO 0.04 1.25 0.26 0.82 1.06 0.00 0.00 176.91 180.34 2x38 h ILE 794 N 0.50 1.15 -0.59 -1.22 2.04 -1.29 -0.62 117.51 117.47 2x38 h ILE 794 Ca -0.06 -0.34 -0.00 0.00 1.00 0.00 0.00 64.86 65.45 2x38 h ILE 794 Cb 1.45 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 38.08 2x38 h ILE 794 CO 0.17 0.15 0.36 -0.61 0.00 0.00 0.00 178.15 178.21 2x38 h GLN 795 N 0.58 0.79 -0.25 2.37 4.15 -0.93 -1.22 115.11 120.60 2x38 h GLN 795 Ca 0.16 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.49 2x38 h GLN 795 Cb 0.01 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.52 2x38 h GLN 795 CO -0.03 0.55 0.07 1.25 -1.93 0.00 0.00 178.83 178.74 2x38 h LEU 796 N 0.81 0.37 -0.47 -2.39 5.85 -0.37 -1.91 115.31 117.20 2x38 h LEU 796 Ca 0.21 -0.22 0.09 0.00 0.84 0.00 0.00 57.88 58.81 2x38 h LEU 796 Cb -0.04 -0.10 -0.08 0.00 0.37 0.00 0.00 40.66 40.81 2x38 h LEU 796 CO -0.04 0.49 -0.04 0.24 -0.34 0.00 0.00 178.44 178.75 2x38 h MET 797 N 0.23 0.07 -0.37 1.25 2.86 -0.35 -0.55 114.93 118.08 2x38 h MET 797 Ca 0.08 -0.00 0.06 0.00 -2.06 0.00 0.00 59.70 57.78 2x38 h MET 797 Cb 0.26 -0.01 -0.05 0.00 0.06 0.00 0.00 31.60 31.85 2x38 h MET 797 CO -0.00 0.04 0.03 0.22 1.06 0.00 0.00 176.91 178.27 2x38 h ASP 798 N 0.07 -0.08 -0.09 1.22 3.58 -1.14 0.28 116.42 120.27 2x38 h ASP 798 Ca 0.23 0.07 0.04 0.00 0.42 0.00 0.00 57.03 57.79 2x38 h ASP 798 Cb 0.35 0.12 -0.04 0.00 1.72 0.00 0.00 39.33 41.48 2x38 h ASP 798 CO -0.43 -0.00 -0.15 0.58 -2.88 0.00 0.00 179.24 176.36 2x38 h VAL 799 N 0.14 0.61 -0.64 2.25 2.07 -0.54 0.14 116.25 120.28 2x38 h VAL 799 Ca 0.18 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.66 2x38 h VAL 799 Cb 0.23 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 2x38 h VAL 799 CO -0.27 0.00 0.25 -0.07 0.02 0.00 0.00 177.57 177.50 2x38 h LEU 800 N -0.21 0.89 -0.35 2.57 3.38 -0.68 0.16 115.31 121.07 2x38 h LEU 800 Ca 0.08 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.88 2x38 h LEU 800 Cb 0.32 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2x38 h LEU 800 CO -0.21 0.82 0.22 -0.50 0.09 0.00 0.00 178.44 178.86 2x38 h TRP 801 N 0.90 0.42 -0.42 1.13 6.55 -0.25 -2.80 115.95 121.47 2x38 h TRP 801 Ca 0.21 0.01 -0.06 0.00 0.95 0.00 0.00 58.89 60.00 2x38 h TRP 801 Cb 0.21 -0.14 -0.02 0.00 -0.86 0.00 0.00 29.16 28.36 2x38 h TRP 801 CO 0.01 0.26 0.00 0.87 -1.05 0.00 0.00 178.44 178.53 2x38 h LYS 802 N 0.45 0.68 0.00 0.49 1.57 -0.19 -0.96 116.57 118.60 2x38 h LYS 802 Ca 0.13 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2x38 h LYS 802 Cb -0.03 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.19 2x38 h LYS 802 CO -0.04 0.69 0.05 1.96 -0.57 0.00 0.00 179.45 181.54 2x38 h GLN 803 N 0.64 0.00 -0.47 3.15 4.20 -0.71 -0.34 115.11 121.59 2x38 h GLN 803 Ca 0.13 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.68 2x38 h GLN 803 Cb 0.40 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 28.08 2x38 h GLN 803 CO 0.01 0.00 0.09 0.39 -0.67 0.00 0.00 178.83 178.66 2x38 n GLU 804 N -2.93 2.61 -1.95 1.46 -0.58 -0.73 -4.97 120.64 113.55 2x38 n GLU 804 Ca -0.03 -3.04 -0.15 0.00 -0.42 0.00 0.00 57.16 53.52 2x38 n GLU 804 Cb 0.12 -1.94 -0.03 0.00 -0.57 0.00 0.00 31.44 29.01 2x38 n GLU 804 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2x38 n GLY 805 N -0.74 0.47 3.20 0.62 0.00 -0.14 -5.00 105.19 103.60 2x38 n GLY 805 Ca 0.34 -0.26 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 2x38 n GLY 805 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2x38 s LEU 806 N -4.04 4.16 -0.43 0.99 2.96 -0.44 -4.99 118.68 116.88 2x38 s LEU 806 Ca 0.00 -1.30 -0.13 0.00 -0.22 0.00 0.00 54.13 52.48 2x38 s LEU 806 Cb 0.00 -1.77 0.05 0.00 0.50 0.00 0.00 46.19 44.97 2x38 s LEU 806 CO 0.00 -0.31 0.31 -0.62 -1.32 0.00 0.00 176.35 174.41 2x38 s ASP 807 N 1.36 5.96 -0.20 3.68 -1.08 -1.26 -2.69 116.67 122.42 2x38 s ASP 807 Ca -0.03 -1.20 0.13 0.00 -0.52 0.00 0.00 52.55 50.93 2x38 s ASP 807 Cb -0.20 -2.11 0.74 0.00 -1.46 0.00 0.00 42.92 39.89 2x38 s ASP 807 CO -0.00 -0.53 1.63 0.18 0.52 0.00 0.00 175.17 176.97 2x38 n LEU 808 N 5.10 5.23 -3.66 -1.34 4.77 -1.26 -4.92 117.00 120.91 2x38 n LEU 808 Ca -0.12 -2.65 -0.22 0.00 -0.03 0.00 0.00 56.01 52.99 2x38 n LEU 808 Cb 0.45 -0.66 0.05 0.00 -2.33 0.00 0.00 43.42 40.93 2x38 n LEU 808 CO 0.42 0.61 0.06 0.54 -1.33 0.00 0.00 177.39 177.69 2x38 n ARG 809 N 0.63 -5.91 -1.60 3.23 5.12 -1.26 -2.27 116.66 114.60 2x38 n ARG 809 Ca 0.25 0.71 -0.31 0.00 -1.93 0.00 0.00 57.85 56.57 2x38 n ARG 809 Cb 1.08 -5.52 0.06 0.00 -1.16 0.00 0.00 32.46 26.93 2x38 n ARG 809 CO 0.00 0.00 0.00 -1.64 -1.93 0.00 0.00 177.63 174.06 2x38 s MET 810 N -5.99 2.64 -0.66 5.56 -1.94 -1.26 -4.57 119.30 113.08 2x38 s MET 810 Ca 0.21 0.80 0.05 0.00 -1.71 0.00 0.00 55.69 55.03 2x38 s MET 810 Cb -0.10 -1.97 0.16 0.00 2.01 0.00 0.00 34.83 34.93 2x38 s MET 810 CO 0.78 -1.27 0.44 0.99 -0.01 0.00 0.00 175.02 175.95 2x38 s THR 811 N -3.11 2.82 -1.37 2.05 2.01 -1.26 -5.02 115.64 111.76 2x38 s THR 811 Ca 0.59 -4.06 -0.13 0.00 0.31 0.00 0.00 61.69 58.41 2x38 s THR 811 Cb -0.14 -2.88 0.09 0.00 0.01 0.00 0.00 72.50 69.59 2x38 s THR 811 CO 0.54 -0.96 2.02 -0.81 -0.69 0.00 0.00 174.62 174.73 2x38 n PRO 812 N 2.24 3.18 -2.66 4.92 -0.04 -1.26 -4.94 135.00 136.44 2x38 n PRO 812 Ca 0.16 -3.06 -0.33 0.00 -0.04 0.00 0.00 63.50 60.23 2x38 n PRO 812 Cb 0.34 -3.16 -0.05 0.00 -0.04 0.00 0.00 33.50 30.59 2x38 n PRO 812 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 2x38 s TYR 813 N 2.20 3.16 0.41 0.54 -0.85 -1.26 -5.00 117.35 116.55 2x38 s TYR 813 Ca 0.45 1.59 -0.26 0.00 -0.52 0.00 0.00 57.07 58.33 2x38 s TYR 813 Cb 0.11 -2.95 -0.09 0.00 0.38 0.00 0.00 41.96 39.41 2x38 s TYR 813 CO -0.04 -0.47 1.28 0.20 -1.52 0.00 0.00 175.55 175.00 2x38 s GLY 814 N -2.13 2.92 -0.08 5.49 0.00 -1.26 -4.85 107.32 107.40 2x38 s GLY 814 Ca 0.64 1.19 -0.04 0.00 0.00 0.00 0.00 44.72 46.52 2x38 s GLY 814 CO 0.17 1.76 0.18 0.00 0.00 0.00 0.00 173.10 175.22 2x38 s LEU 816 N 1.53 -0.15 0.28 0.00 2.96 0.16 -4.78 118.68 118.68 2x38 s LEU 816 Ca -0.06 -0.41 -0.30 0.00 -0.22 0.00 0.00 54.13 53.14 2x38 s LEU 816 Cb -0.11 0.43 -0.10 0.00 0.50 0.00 0.00 46.19 46.90 2x38 s LEU 816 CO -0.07 -0.35 1.45 -2.84 -1.32 0.00 0.00 176.35 173.23 2x38 s PRO 817 N 2.34 4.24 0.00 0.98 0.02 -1.26 -0.72 135.00 140.60 2x38 s PRO 817 Ca 0.08 2.36 0.00 0.00 0.02 0.00 0.00 61.00 63.46 2x38 s PRO 817 Cb -0.15 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.29 2x38 s PRO 817 CO -0.20 -0.44 0.00 0.25 -0.33 0.00 0.00 177.00 176.28 2x38 n THR 818 N 1.99 0.00 -2.71 0.99 -2.24 0.54 -4.68 114.28 108.17 2x38 n THR 818 Ca 0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 2x38 n THR 818 Cb 0.40 0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.84 2x38 n THR 818 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2x38 n GLY 819 N 2.44 2.10 3.57 3.38 0.00 -0.75 -3.50 105.19 112.43 2x38 n GLY 819 Ca 0.00 -0.85 -0.39 0.00 0.00 0.00 0.00 46.02 44.78 2x38 n GLY 819 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2x38 s ASP 820 N 0.47 4.98 -1.48 1.61 -1.08 -1.26 -2.50 116.67 117.41 2x38 s ASP 820 Ca 0.00 1.11 -0.12 0.00 -0.52 0.00 0.00 52.55 53.03 2x38 s ASP 820 Cb 0.00 -2.51 0.06 0.00 -1.46 0.00 0.00 42.92 39.01 2x38 s ASP 820 CO 0.00 -2.46 0.97 0.54 0.52 0.00 0.00 175.17 174.74 2x38 n ARG 821 N 8.93 -5.92 -3.87 4.34 1.74 -1.26 -4.79 116.66 115.82 2x38 n ARG 821 Ca 0.30 0.67 -0.13 0.00 -0.77 0.00 0.00 57.85 57.92 2x38 n ARG 821 Cb 0.51 -5.59 -0.14 0.00 -1.02 0.00 0.00 32.46 26.22 2x38 n ARG 821 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2x38 s THR 822 N -3.27 0.01 0.00 0.55 2.01 -1.04 -0.79 115.64 113.12 2x38 s THR 822 Ca 0.60 0.02 0.00 0.00 0.31 0.00 0.00 61.69 62.63 2x38 s THR 822 Cb -0.29 -0.04 0.00 0.00 0.01 0.00 0.00 72.50 72.18 2x38 s THR 822 CO 0.75 0.02 0.00 0.61 -0.69 0.00 0.00 174.62 175.31 2x38 n GLY 823 N 3.25 0.92 3.34 4.40 0.00 -1.01 -0.33 105.19 115.76 2x38 n GLY 823 Ca -0.15 -0.71 -0.26 0.00 0.00 0.00 0.00 46.02 44.91 2x38 n GLY 823 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2x38 s LEU 824 N 0.00 2.32 -0.03 0.99 1.43 0.10 -2.17 118.68 121.32 2x38 s LEU 824 Ca 0.00 -0.73 0.04 0.00 -1.03 0.00 0.00 54.13 52.41 2x38 s LEU 824 Cb 0.00 -1.03 -0.00 0.00 0.03 0.00 0.00 46.19 45.18 2x38 s LEU 824 CO 0.00 0.11 -0.16 -0.63 0.23 0.00 0.00 176.35 175.89 2x38 s ILE 825 N -1.19 1.34 0.10 -0.59 1.09 -0.29 -0.66 121.20 120.99 2x38 s ILE 825 Ca 0.11 -0.68 -0.30 0.00 -1.10 0.00 0.00 60.65 58.67 2x38 s ILE 825 Cb -0.10 -1.15 -0.06 0.00 -1.06 0.00 0.00 42.46 40.09 2x38 s ILE 825 CO 0.05 0.39 1.14 -0.70 -0.10 0.00 0.00 174.94 175.73 2x38 s GLU 826 N -0.04 4.50 0.01 2.79 2.12 0.15 -0.42 118.70 127.80 2x38 s GLU 826 Ca -0.01 1.72 -0.30 0.00 0.36 0.00 0.00 54.97 56.73 2x38 s GLU 826 Cb -0.10 -3.33 -0.04 0.00 0.26 0.00 0.00 34.13 30.91 2x38 s GLU 826 CO 0.01 -0.13 1.14 0.08 -0.54 0.00 0.00 175.26 175.83 2x38 s VAL 827 N 0.61 4.32 -0.46 3.70 1.01 -0.70 -4.73 120.40 124.14 2x38 s VAL 827 Ca 0.55 1.66 -0.17 0.00 0.00 0.00 0.00 61.98 64.02 2x38 s VAL 827 Cb -0.29 -4.06 0.05 0.00 0.00 0.00 0.00 36.38 32.08 2x38 s VAL 827 CO 0.31 0.09 0.46 -0.69 0.00 0.00 0.00 175.10 175.27 2x38 s VAL 828 N 1.38 5.10 0.80 2.92 1.01 -1.26 -4.63 120.40 125.72 2x38 s VAL 828 Ca 0.56 -0.66 -0.12 0.00 0.00 0.00 0.00 61.98 61.76 2x38 s VAL 828 Cb -0.26 -4.12 0.07 0.00 0.00 0.00 0.00 36.38 32.07 2x38 s VAL 828 CO 0.27 -0.56 1.12 -0.76 0.00 0.00 0.00 175.10 175.16 2x38 s LEU 829 N 2.05 2.54 -1.15 3.92 1.43 -1.26 -4.12 118.68 122.08 2x38 s LEU 829 Ca 0.09 1.10 -0.07 0.00 -1.03 0.00 0.00 54.13 54.23 2x38 s LEU 829 Cb -0.20 -3.69 0.01 0.00 0.03 0.00 0.00 46.19 42.34 2x38 s LEU 829 CO 0.10 -1.92 0.93 1.41 0.23 0.00 0.00 176.35 177.11 2x38 n HIS 830 N -3.37 -2.32 -3.94 0.29 8.25 -1.26 -4.88 115.22 107.99 2x38 n HIS 830 Ca 0.07 0.80 -0.10 0.00 -0.26 0.00 0.00 57.72 58.23 2x38 n HIS 830 Cb 0.58 -4.32 -0.11 0.00 1.12 0.00 0.00 29.99 27.27 2x38 n HIS 830 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2x38 s SER 831 N -3.20 0.15 0.15 0.41 1.04 -1.26 -1.72 113.70 109.27 2x38 s SER 831 Ca 0.46 -0.38 0.01 0.00 0.48 0.00 0.00 55.95 56.53 2x38 s SER 831 Cb -0.20 0.14 -0.04 0.00 0.10 0.00 0.00 66.02 66.01 2x38 s SER 831 CO 0.57 -0.32 -0.01 -0.62 0.98 0.00 0.00 173.24 173.84 2x38 s ASP 832 N -1.40 1.06 0.43 7.02 -1.08 -0.90 -4.96 116.67 116.84 2x38 s ASP 832 Ca -0.15 -1.14 -0.21 0.00 -0.52 0.00 0.00 52.55 50.53 2x38 s ASP 832 Cb -0.09 0.14 -0.10 0.00 -1.46 0.00 0.00 42.92 41.40 2x38 s ASP 832 CO 0.00 -0.57 0.97 0.42 0.52 0.00 0.00 175.17 176.51 2x38 s THR 833 N -3.71 4.25 0.26 1.71 -4.23 -1.26 -0.85 115.64 111.81 2x38 s THR 833 Ca 0.21 1.44 -0.02 0.00 -1.18 0.00 0.00 61.69 62.14 2x38 s THR 833 Cb 0.06 -3.61 0.23 0.00 1.34 0.00 0.00 72.50 70.53 2x38 s THR 833 CO 0.01 -0.26 1.75 0.40 -0.54 0.00 0.00 174.62 175.99 2x38 h ILE 834 N 1.91 0.72 -0.34 2.99 1.08 -1.31 -1.71 117.51 120.84 2x38 h ILE 834 Ca -0.49 -0.20 0.04 0.00 -0.39 0.00 0.00 64.86 63.82 2x38 h ILE 834 Cb 1.19 0.09 -0.04 0.00 -3.07 0.00 0.00 36.82 34.99 2x38 h ILE 834 CO 0.61 0.11 0.10 0.00 -0.69 0.00 0.00 178.15 178.28 2x38 h ALA 835 N 1.55 0.38 -0.19 1.87 0.00 -1.35 0.38 119.26 121.91 2x38 h ALA 835 Ca 0.44 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.42 2x38 h ALA 835 Cb 0.63 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2x38 h ALA 835 CO -0.37 -0.30 0.06 -0.97 0.00 0.00 0.00 179.25 177.68 2x38 h ASN 836 N 0.24 0.07 -0.62 0.00 -1.24 -1.71 -0.94 115.58 111.38 2x38 h ASN 836 Ca 0.15 0.02 0.03 0.00 0.71 0.00 0.00 56.30 57.21 2x38 h ASN 836 Cb 0.14 0.01 -0.04 0.00 0.73 0.00 0.00 38.32 39.16 2x38 h ASN 836 CO -0.17 0.06 0.38 0.40 -1.29 0.00 0.00 177.43 176.81 2x38 h ILE 837 N 0.15 1.07 0.00 2.57 2.04 -1.06 -1.89 117.51 120.39 2x38 h ILE 837 Ca 0.08 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.68 2x38 h ILE 837 Cb 0.05 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 36.39 2x38 h ILE 837 CO -0.08 0.14 0.00 0.00 0.00 0.00 0.00 178.15 178.20 2x38 n GLN 838 N -4.73 0.18 0.32 2.37 6.02 0.13 -2.13 117.38 119.55 2x38 n GLN 838 Ca 0.06 0.15 0.20 0.00 -0.01 0.00 0.00 57.00 57.40 2x38 n GLN 838 Cb 0.09 -1.50 1.11 0.00 1.02 0.00 0.00 30.24 30.95 2x38 n GLN 838 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2x38 h LEU 839 N 0.00 0.00 -2.16 1.08 3.38 -0.32 -3.46 115.31 113.82 2x38 h LEU 839 Ca 0.00 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.55 2x38 h LEU 839 Cb 0.19 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.00 2x38 h LEU 839 CO 0.00 0.00 -0.87 -3.20 0.09 0.00 0.00 178.44 174.46 2x38 n ASN 840 N -3.38 -2.30 -4.74 -0.43 5.15 -0.91 -4.91 115.26 103.74 2x38 n ASN 840 Ca -0.03 -0.89 -0.41 0.00 -0.60 0.00 0.00 54.58 52.65 2x38 n ASN 840 Cb 0.08 -3.82 -0.04 0.00 -0.53 0.00 0.00 39.78 35.47 2x38 n ASN 840 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2x38 s LYS 841 N -5.96 4.56 1.11 1.20 1.02 -1.26 -4.90 119.74 115.51 2x38 s LYS 841 Ca 0.14 1.81 -0.14 0.00 0.02 0.00 0.00 55.97 57.80 2x38 s LYS 841 Cb -0.04 -3.24 0.24 0.00 -0.52 0.00 0.00 37.83 34.28 2x38 s LYS 841 CO 0.83 0.04 1.07 -1.54 -0.92 0.00 0.00 175.35 174.83 2x38 s SER 842 N -0.22 1.65 -1.18 2.83 1.04 -1.26 -4.02 113.70 112.53 2x38 s SER 842 Ca 0.49 1.16 0.00 0.00 0.48 0.00 0.00 55.95 58.09 2x38 s SER 842 Cb -0.31 -1.80 0.00 0.00 0.10 0.00 0.00 66.02 64.01 2x38 s SER 842 CO 0.37 -3.74 0.00 -3.20 0.98 0.00 0.00 173.24 167.66 2x38 n ASN 843 N -4.57 -4.31 -4.31 7.02 5.15 -1.26 -4.98 115.26 108.00 2x38 n ASN 843 Ca 0.06 0.26 -0.25 0.00 -0.60 0.00 0.00 54.58 54.04 2x38 n ASN 843 Cb 0.57 -2.85 -0.09 0.00 -0.53 0.00 0.00 39.78 36.88 2x38 n ASN 843 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 2x38 s MET 844 N -3.05 1.88 0.02 1.20 -1.94 -1.26 -5.06 119.30 111.09 2x38 s MET 844 Ca 0.00 -2.13 0.24 0.00 -1.71 0.00 0.00 55.69 52.09 2x38 s MET 844 Cb 0.00 -0.82 0.31 0.00 2.01 0.00 0.00 34.83 36.33 2x38 s MET 844 CO 0.00 -0.37 1.27 0.00 -0.01 0.00 0.00 175.02 175.91 2x38 n ALA 845 N -0.89 3.68 1.29 3.03 0.00 -1.26 -3.83 120.51 122.53 2x38 n ALA 845 Ca -0.07 -0.39 0.13 0.00 0.00 0.00 0.00 53.44 53.11 2x38 n ALA 845 Cb 0.66 -1.05 0.37 0.00 0.00 0.00 0.00 19.45 19.43 2x38 n ALA 845 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2x38 n ALA 846 N -1.57 2.89 -1.81 0.00 0.00 -1.26 -4.83 120.51 113.92 2x38 n ALA 846 Ca 0.05 -0.47 -0.42 0.00 0.00 0.00 0.00 53.44 52.60 2x38 n ALA 846 Cb 0.36 -1.08 -0.03 0.00 0.00 0.00 0.00 19.45 18.70 2x38 n ALA 846 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2x38 s THR 847 N -2.27 2.95 0.31 0.00 2.01 -1.25 -4.62 115.64 112.77 2x38 s THR 847 Ca 0.29 0.27 0.10 0.00 0.31 0.00 0.00 61.69 62.66 2x38 s THR 847 Cb 0.20 -3.17 -0.06 0.00 0.01 0.00 0.00 72.50 69.48 2x38 s THR 847 CO 0.44 -0.01 -0.13 0.00 -0.69 0.00 0.00 174.62 174.23 2x38 s ALA 848 N 3.27 2.81 0.30 7.40 0.00 -1.26 -5.04 121.76 129.24 2x38 s ALA 848 Ca 0.79 -1.99 0.04 0.00 0.00 0.00 0.00 51.96 50.81 2x38 s ALA 848 Cb -0.42 -0.10 0.48 0.00 0.00 0.00 0.00 23.12 23.08 2x38 s ALA 848 CO 0.35 0.14 1.75 0.00 0.00 0.00 0.00 175.76 178.01 2x38 h ALA 849 N 2.15 1.18 -4.02 0.00 0.00 -1.98 -3.44 119.26 113.14 2x38 h ALA 849 Ca -0.41 -0.33 -0.43 0.00 0.00 0.00 0.00 54.91 53.74 2x38 h ALA 849 Cb 1.25 -0.11 -0.28 0.00 0.00 0.00 0.00 17.79 18.65 2x38 h ALA 849 CO 0.66 0.53 -0.79 -0.06 0.00 0.00 0.00 179.25 179.59 2x38 s PHE 850 N -4.48 1.05 0.42 0.00 0.08 -1.26 -5.06 117.98 108.73 2x38 s PHE 850 Ca -0.06 -0.23 0.08 0.00 0.12 0.00 0.00 56.93 56.84 2x38 s PHE 850 Cb 0.14 -0.66 0.89 0.00 -0.57 0.00 0.00 43.02 42.82 2x38 s PHE 850 CO 0.78 -0.01 2.05 -0.97 -0.10 0.00 0.00 175.22 176.97 2x38 h ASN 851 N 5.64 0.39 0.08 1.36 -1.24 -1.99 -1.91 115.58 117.91 2x38 h ASN 851 Ca -0.34 -0.02 -0.00 0.00 0.71 0.00 0.00 56.30 56.65 2x38 h ASN 851 Cb 1.17 -0.10 -0.00 0.00 0.73 0.00 0.00 38.32 40.12 2x38 h ASN 851 CO 0.48 0.31 -0.02 0.07 -1.29 0.00 0.00 177.43 176.98 2x38 h LYS 852 N 0.45 0.00 0.00 6.67 2.10 -1.99 -1.26 116.57 122.54 2x38 h LYS 852 Ca 0.12 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.77 2x38 h LYS 852 Cb 0.01 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.34 2x38 h LYS 852 CO -0.02 0.02 0.00 -0.44 -2.00 0.00 0.00 179.45 177.01 2x38 h ASP 853 N 0.00 0.00 -0.62 7.07 3.32 -1.77 -3.39 116.42 121.04 2x38 h ASP 853 Ca -0.00 0.00 0.12 0.00 0.02 0.00 0.00 57.03 57.17 2x38 h ASP 853 Cb 0.06 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 39.49 2x38 h ASP 853 CO 0.00 0.00 -0.20 0.00 -1.72 0.00 0.00 179.24 177.32 2x38 h ALA 854 N 2.30 0.30 -0.45 3.45 0.00 -1.30 0.50 119.26 124.07 2x38 h ALA 854 Ca 0.00 0.23 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 2x38 h ALA 854 Cb 0.85 0.55 -0.02 0.00 0.00 0.00 0.00 17.79 19.17 2x38 h ALA 854 CO 0.00 -0.49 0.04 1.25 0.00 0.00 0.00 179.25 180.06 2x38 h LEU 855 N -0.05 0.74 -0.73 0.00 6.46 -1.78 -1.17 115.31 118.78 2x38 h LEU 855 Ca 0.29 -0.28 -0.09 0.00 -0.12 0.00 0.00 57.88 57.68 2x38 h LEU 855 Cb 0.49 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 40.20 2x38 h LEU 855 CO -0.66 0.83 -0.00 0.25 -0.62 0.00 0.00 178.44 178.24 2x38 h LEU 856 N 0.61 0.95 -1.23 2.25 5.85 -1.62 -1.71 115.31 120.41 2x38 h LEU 856 Ca 0.13 -0.26 -0.04 0.00 0.84 0.00 0.00 57.88 58.56 2x38 h LEU 856 Cb 0.43 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 2x38 h LEU 856 CO 0.01 1.01 0.11 0.78 -0.34 0.00 0.00 178.44 180.01 2x38 h ASN 857 N 0.89 0.59 -0.22 1.25 2.35 -0.59 0.69 115.58 120.54 2x38 h ASN 857 Ca 0.16 -0.09 -0.09 0.00 -0.55 0.00 0.00 56.30 55.73 2x38 h ASN 857 Cb 0.53 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.74 2x38 h ASN 857 CO 0.03 0.59 -0.22 -0.25 -1.65 0.00 0.00 177.43 175.92 2x38 h TRP 858 N 0.63 0.65 -0.46 1.19 7.01 -0.91 -1.03 115.95 123.03 2x38 h TRP 858 Ca 0.14 -0.20 -0.01 0.00 2.11 0.00 0.00 58.89 60.94 2x38 h TRP 858 Cb 0.23 -0.14 -0.02 0.00 -2.10 0.00 0.00 29.16 27.13 2x38 h TRP 858 CO 0.01 0.89 0.27 -0.07 -2.79 0.00 0.00 178.44 176.74 2x38 h LEU 859 N 0.23 0.56 -0.37 0.65 3.38 -0.93 -1.99 115.31 116.85 2x38 h LEU 859 Ca 0.03 -0.07 0.05 0.00 0.09 0.00 0.00 57.88 57.99 2x38 h LEU 859 Cb 0.78 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.34 2x38 h LEU 859 CO 0.06 0.47 0.09 0.11 0.09 0.00 0.00 178.44 179.25 2x38 h LYS 860 N 0.61 0.21 0.00 1.13 1.57 -0.81 -0.70 116.57 118.58 2x38 h LYS 860 Ca 0.16 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.91 2x38 h LYS 860 Cb 0.02 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.28 2x38 h LYS 860 CO -0.03 0.14 -0.12 0.66 -0.57 0.00 0.00 179.45 179.54 2x38 h SER 861 N 0.22 0.00 1.19 0.86 4.64 -0.88 -1.96 113.55 117.62 2x38 h SER 861 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 2x38 h SER 861 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 2x38 h SER 861 CO -0.21 0.12 -0.70 0.11 -0.87 0.00 0.00 176.83 175.27 2x38 h LYS 862 N 0.00 0.00 -2.34 4.77 1.79 -0.92 -3.42 116.57 116.46 2x38 h LYS 862 Ca -0.00 0.00 -0.59 0.00 -2.18 0.00 0.00 60.65 57.88 2x38 h LYS 862 Cb 0.22 0.00 -0.39 0.00 -1.58 0.00 0.00 32.23 30.47 2x38 h LYS 862 CO 0.02 0.00 -0.91 0.09 -1.08 0.00 0.00 179.45 177.57 2x38 n ASN 863 N -2.65 0.81 -4.76 0.86 3.02 -0.31 -4.98 115.26 107.24 2x38 n ASN 863 Ca 0.02 -2.74 -0.39 0.00 -0.03 0.00 0.00 54.58 51.43 2x38 n ASN 863 Cb 0.52 -0.63 0.03 0.00 -0.61 0.00 0.00 39.78 39.09 2x38 n ASN 863 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 2x38 s PRO 864 N -0.90 3.42 2.84 3.52 0.02 -1.20 -2.48 135.00 140.23 2x38 s PRO 864 Ca 0.33 2.31 0.00 0.00 0.02 0.00 0.00 61.00 63.66 2x38 s PRO 864 Cb 0.08 -2.45 0.00 0.00 0.02 0.00 0.00 34.50 32.15 2x38 s PRO 864 CO -0.14 -0.99 0.00 0.41 -0.33 0.00 0.00 177.00 175.95 2x38 n GLY 865 N 0.65 2.40 0.31 0.52 0.00 -1.26 -1.45 105.19 106.35 2x38 n GLY 865 Ca 0.08 0.38 0.19 0.00 0.00 0.00 0.00 46.02 46.66 2x38 n GLY 865 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2x38 h GLU 866 N 0.00 0.00 0.00 1.61 5.08 -2.02 -2.27 114.58 116.98 2x38 h GLU 866 Ca 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 2x38 h GLU 866 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2x38 h GLU 866 CO 0.00 0.03 -0.19 0.00 -1.00 0.00 0.00 179.01 177.84 2x38 h ALA 867 N 1.97 1.02 -0.47 3.43 0.00 -1.45 -3.33 119.26 120.43 2x38 h ALA 867 Ca -0.00 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.77 2x38 h ALA 867 Cb 0.18 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 2x38 h ALA 867 CO 0.00 0.24 0.25 1.25 0.00 0.00 0.00 179.25 180.99 2x38 h LEU 868 N 0.00 0.37 -0.63 0.00 5.85 -1.08 -2.70 115.31 117.13 2x38 h LEU 868 Ca -0.00 0.02 0.13 0.00 0.84 0.00 0.00 57.88 58.87 2x38 h LEU 868 Cb 0.71 -0.05 -0.10 0.00 0.37 0.00 0.00 40.66 41.59 2x38 h LEU 868 CO 0.02 0.26 0.02 0.44 -0.34 0.00 0.00 178.44 178.85 2x38 h ASP 869 N 0.49 -0.24 -0.45 1.25 5.19 -1.77 -1.85 116.42 119.04 2x38 h ASP 869 Ca 0.20 0.15 -0.07 0.00 -0.62 0.00 0.00 57.03 56.69 2x38 h ASP 869 Cb 0.09 0.26 -0.02 0.00 0.18 0.00 0.00 39.33 39.84 2x38 h ASP 869 CO -0.13 -0.10 -0.01 -0.09 -3.12 0.00 0.00 179.24 175.79 2x38 h ARG 870 N 0.13 0.80 -0.50 3.56 9.65 -1.71 -2.44 114.38 123.87 2x38 h ARG 870 Ca 0.33 -0.26 -0.00 0.00 -1.10 0.00 0.00 59.98 58.95 2x38 h ARG 870 Cb 0.53 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 29.02 2x38 h ARG 870 CO -0.52 0.87 0.30 0.00 2.80 0.00 0.00 179.97 183.42 2x38 h ALA 871 N 0.91 0.64 -0.96 2.80 0.00 -1.18 0.14 119.26 121.61 2x38 h ALA 871 Ca 0.13 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.05 2x38 h ALA 871 Cb 0.51 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.03 2x38 h ALA 871 CO 0.02 0.13 0.62 0.82 0.00 0.00 0.00 179.25 180.84 2x38 h ILE 872 N 0.67 1.05 -0.15 0.00 2.04 -1.25 0.72 117.51 120.59 2x38 h ILE 872 Ca 0.18 -0.37 -0.06 0.00 1.00 0.00 0.00 64.86 65.61 2x38 h ILE 872 Cb -0.01 -0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 35.95 2x38 h ILE 872 CO -0.03 0.20 -0.15 -0.08 0.00 0.00 0.00 178.15 178.09 2x38 h GLU 873 N 1.07 0.37 -0.59 2.37 4.57 -0.92 -1.28 114.58 120.17 2x38 h GLU 873 Ca 0.42 -0.19 0.11 0.00 -1.18 0.00 0.00 59.36 58.52 2x38 h GLU 873 Cb 0.24 0.01 -0.09 0.00 -0.16 0.00 0.00 28.75 28.75 2x38 h GLU 873 CO -0.17 0.74 0.11 0.93 -1.18 0.00 0.00 179.01 179.44 2x38 h GLU 874 N 0.00 0.23 -0.71 1.92 4.39 -0.70 0.70 114.58 120.41 2x38 h GLU 874 Ca 0.03 -0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.76 2x38 h GLU 874 Cb 0.67 -0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 29.22 2x38 h GLU 874 CO 0.04 0.15 0.41 0.35 -1.16 0.00 0.00 179.01 178.80 2x38 h PHE 875 N 0.23 0.77 -0.16 4.33 3.57 -0.74 -1.90 116.94 123.04 2x38 h PHE 875 Ca 0.31 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.77 2x38 h PHE 875 Cb 0.47 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 38.96 2x38 h PHE 875 CO -0.26 0.39 -0.14 1.15 -2.23 0.00 0.00 178.31 177.22 2x38 h THR 876 N 0.77 1.34 0.03 4.41 2.02 -0.29 0.34 112.91 121.53 2x38 h THR 876 Ca 0.31 -1.28 0.01 0.00 0.77 0.00 0.00 66.41 66.22 2x38 h THR 876 Cb 0.14 1.82 -0.01 0.00 -1.74 0.00 0.00 68.15 68.36 2x38 h THR 876 CO -0.16 0.38 -0.07 -0.07 0.37 0.00 0.00 175.52 175.97 2x38 h LEU 877 N 0.02 -0.18 -0.34 2.58 3.38 -0.87 -1.84 115.31 118.05 2x38 h LEU 877 Ca 0.03 0.02 -0.17 0.00 0.09 0.00 0.00 57.88 57.85 2x38 h LEU 877 Cb 0.66 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.48 2x38 h LEU 877 CO 0.04 -0.10 -0.48 0.77 0.09 0.00 0.00 178.44 178.76 2x38 h SER 878 N -0.13 0.99 -0.51 -0.43 4.64 -0.90 -1.68 113.55 115.52 2x38 h SER 878 Ca 0.02 -0.49 0.10 0.00 -0.47 0.00 0.00 61.79 60.94 2x38 h SER 878 Cb 0.15 -0.28 -0.08 0.00 -0.31 0.00 0.00 62.40 61.88 2x38 h SER 878 CO -0.04 1.30 0.03 0.00 -0.87 0.00 0.00 176.83 177.24 2x38 h ALA 880 N 1.44 0.34 0.13 0.00 0.00 -0.92 0.54 119.26 120.79 2x38 h ALA 880 Ca 0.26 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.14 2x38 h ALA 880 Cb 0.39 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 2x38 h ALA 880 CO -0.40 -0.15 -0.40 0.78 0.00 0.00 0.00 179.25 179.08 2x38 h GLY 881 N 0.34 -0.80 1.60 0.00 0.00 -0.71 -1.96 103.07 101.54 2x38 h GLY 881 Ca 0.10 0.47 -0.09 0.00 0.00 0.00 0.00 47.33 47.81 2x38 h GLY 881 CO -0.02 -0.27 -0.24 -0.97 0.00 0.00 0.00 176.54 175.05 2x38 h TYR 882 N -0.63 0.52 -0.66 5.60 0.05 -0.53 0.13 116.97 121.45 2x38 h TYR 882 Ca 0.02 -0.11 -0.03 0.00 0.05 0.00 0.00 58.73 58.66 2x38 h TYR 882 Cb 0.66 -0.13 -0.03 0.00 1.01 0.00 0.00 36.73 38.24 2x38 h TYR 882 CO -0.35 0.67 0.27 0.00 -1.05 0.00 0.00 178.16 177.71 2x38 h VAL 884 N 0.95 1.33 -0.27 0.00 2.07 -0.86 -2.77 116.25 116.69 2x38 h VAL 884 Ca 0.22 -2.32 -0.01 0.00 0.82 0.00 0.00 66.70 65.42 2x38 h VAL 884 Cb 0.17 2.61 -0.01 0.00 -1.52 0.00 0.00 31.29 32.53 2x38 h VAL 884 CO -0.02 0.70 0.14 0.00 0.02 0.00 0.00 177.57 178.40 2x38 h ALA 885 N 0.31 0.35 -0.07 1.67 0.00 -0.54 -0.64 119.26 120.35 2x38 h ALA 885 Ca -0.14 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.53 2x38 h ALA 885 Cb 1.71 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.38 2x38 h ALA 885 CO 0.20 -0.10 -0.63 1.79 0.00 0.00 0.00 179.25 180.51 2x38 h THR 886 N 0.31 1.39 0.36 0.00 1.35 -1.19 -1.11 112.91 114.02 2x38 h THR 886 Ca 0.09 -2.03 -0.02 0.00 -0.55 0.00 0.00 66.41 63.91 2x38 h THR 886 Cb 0.10 2.03 0.00 0.00 -1.73 0.00 0.00 68.15 68.56 2x38 h THR 886 CO -0.01 0.60 -0.17 0.22 -0.25 0.00 0.00 175.52 175.90 2x38 h TYR 887 N 0.18 -0.45 -0.45 4.73 3.20 -1.39 0.84 116.97 123.63 2x38 h TYR 887 Ca -0.01 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 61.92 2x38 h TYR 887 Cb 1.14 0.15 -0.06 0.00 1.54 0.00 0.00 36.73 39.50 2x38 h TYR 887 CO 0.02 -0.14 0.10 0.28 -1.64 0.00 0.00 178.16 176.78 2x38 h VAL 888 N -0.76 0.77 0.00 1.81 2.07 -1.04 -2.59 116.25 116.51 2x38 h VAL 888 Ca -0.05 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.39 2x38 h VAL 888 Cb 0.51 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 2x38 h VAL 888 CO 0.08 0.04 0.00 0.18 0.02 0.00 0.00 177.57 177.89 2x38 n LEU 889 N -5.09 0.00 -1.42 2.57 4.77 -0.43 -4.76 117.00 112.63 2x38 n LEU 889 Ca 0.04 0.49 -0.10 0.00 -0.03 0.00 0.00 56.01 56.41 2x38 n LEU 889 Cb 0.21 -0.49 0.01 0.00 -2.33 0.00 0.00 43.42 40.81 2x38 n LEU 889 CO 0.22 -0.08 -0.05 0.61 -1.33 0.00 0.00 177.39 176.76 2x38 n GLY 890 N 0.99 0.05 3.48 -0.72 0.00 -0.55 0.12 105.19 108.57 2x38 n GLY 890 Ca 0.06 -0.39 -0.43 0.00 0.00 0.00 0.00 46.02 45.27 2x38 n GLY 890 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2x38 s ILE 891 N -2.72 4.31 0.00 -0.61 1.01 0.18 -2.13 121.20 121.24 2x38 s ILE 891 Ca 0.09 -0.72 0.00 0.00 0.00 0.00 0.00 60.65 60.02 2x38 s ILE 891 Cb -0.04 -4.81 0.00 0.00 0.01 0.00 0.00 42.46 37.62 2x38 s ILE 891 CO 0.12 -1.61 0.00 0.61 0.00 0.00 0.00 174.94 174.06 2x38 n GLY 892 N 5.66 0.72 3.58 6.18 0.00 -1.25 -4.66 105.19 115.42 2x38 n GLY 892 Ca 0.12 -1.93 -0.24 0.00 0.00 0.00 0.00 46.02 43.98 2x38 n GLY 892 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2x38 n ASP 893 N -2.32 -6.25 -4.71 1.61 2.03 -1.26 -4.81 116.55 100.83 2x38 n ASP 893 Ca 0.00 -0.54 -0.37 0.00 0.52 0.00 0.00 54.79 54.40 2x38 n ASP 893 Cb 0.00 -5.01 -0.07 0.00 -0.72 0.00 0.00 41.12 35.32 2x38 n ASP 893 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2x38 s ARG 894 N -6.28 4.25 0.32 -0.67 1.81 -1.26 -4.98 118.95 112.14 2x38 s ARG 894 Ca 0.57 0.16 -0.03 0.00 -1.72 0.00 0.00 55.73 54.71 2x38 s ARG 894 Cb -0.25 -3.46 -0.00 0.00 -0.45 0.00 0.00 34.95 30.79 2x38 s ARG 894 CO 0.72 0.16 0.44 -3.38 -0.68 0.00 0.00 175.30 172.56 2x38 s HIS 895 N 0.70 1.05 0.61 -0.53 -3.43 -1.26 -5.04 115.29 107.40 2x38 s HIS 895 Ca 0.18 -1.27 0.29 0.00 -0.80 0.00 0.00 55.06 53.46 2x38 s HIS 895 Cb -0.14 -0.13 1.53 0.00 -1.43 0.00 0.00 32.58 32.41 2x38 s HIS 895 CO 0.06 -1.07 1.92 0.66 -2.00 0.00 0.00 174.74 174.30 2x38 h SER 896 N 2.16 0.00 0.81 7.38 4.64 -1.95 -1.60 113.55 124.98 2x38 h SER 896 Ca -0.28 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 60.86 2x38 h SER 896 Cb 1.24 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.31 2x38 h SER 896 CO 0.39 0.00 -0.86 0.44 -0.87 0.00 0.00 176.83 175.94 2x38 h ASP 897 N 0.00 0.04 -0.25 4.97 3.45 -1.96 -0.50 116.42 122.17 2x38 h ASP 897 Ca 0.13 -0.03 0.00 0.00 0.43 0.00 0.00 57.03 57.56 2x38 h ASP 897 Cb 0.95 -0.01 0.00 0.00 -0.56 0.00 0.00 39.33 39.71 2x38 h ASP 897 CO -0.00 0.87 0.00 -0.46 -1.57 0.00 0.00 179.24 178.08 2x38 n ASN 898 N -3.55 3.67 -4.36 6.45 2.04 -0.61 -4.92 115.26 113.98 2x38 n ASN 898 Ca -0.01 -2.91 -0.33 0.00 -0.44 0.00 0.00 54.58 50.90 2x38 n ASN 898 Cb 0.81 -0.50 -0.15 0.00 -2.53 0.00 0.00 39.78 37.42 2x38 n ASN 898 CO 0.00 0.00 0.00 -0.63 -0.44 0.00 0.00 177.26 176.19 2x38 s ILE 899 N -2.62 2.82 0.33 1.53 1.01 -1.16 -1.44 121.20 121.67 2x38 s ILE 899 Ca 0.39 -0.76 0.10 0.00 0.00 0.00 0.00 60.65 60.38 2x38 s ILE 899 Cb 0.31 -2.14 -0.06 0.00 0.01 0.00 0.00 42.46 40.58 2x38 s ILE 899 CO 0.09 0.55 -0.08 -0.04 0.00 0.00 0.00 174.94 175.46 2x38 s MET 900 N 0.11 1.89 -0.01 2.79 -1.94 0.24 -1.73 119.30 120.65 2x38 s MET 900 Ca -0.08 -1.84 0.01 0.00 -1.71 0.00 0.00 55.69 52.08 2x38 s MET 900 Cb -0.15 -1.79 0.00 0.00 2.01 0.00 0.00 34.83 34.90 2x38 s MET 900 CO 0.05 0.18 -0.04 0.96 -0.01 0.00 0.00 175.02 176.16 2x38 s ILE 901 N -2.56 0.33 0.54 2.53 -5.25 -0.03 -0.83 121.20 115.94 2x38 s ILE 901 Ca 0.33 -0.14 -0.08 0.00 -0.99 0.00 0.00 60.65 59.76 2x38 s ILE 901 Cb 0.00 -0.30 -0.04 0.00 2.95 0.00 0.00 42.46 45.07 2x38 s ILE 901 CO 0.17 0.11 0.90 -0.13 -1.79 0.00 0.00 174.94 174.20 2x38 s ARG 902 N 0.11 3.59 0.56 0.37 0.52 0.13 -2.11 118.95 122.11 2x38 s ARG 902 Ca -0.01 0.48 0.34 0.00 -0.52 0.00 0.00 55.73 56.02 2x38 s ARG 902 Cb -0.04 -2.23 1.58 0.00 0.52 0.00 0.00 34.95 34.78 2x38 s ARG 902 CO -0.00 -0.37 2.08 0.93 0.02 0.00 0.00 175.30 177.95 2x38 h GLU 903 N 0.03 0.00 0.00 3.54 5.08 -1.67 0.41 114.58 121.98 2x38 h GLU 903 Ca -0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 2x38 h GLU 903 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2x38 h GLU 903 CO 0.62 0.05 0.00 -1.13 -1.00 0.00 0.00 179.01 177.55 2x38 n SER 904 N -3.24 0.38 0.00 1.42 3.41 -1.26 -4.74 113.62 109.59 2x38 n SER 904 Ca -0.01 0.61 0.00 0.00 -0.26 0.00 0.00 58.87 59.21 2x38 n SER 904 Cb 0.25 -0.68 0.00 0.00 -0.26 0.00 0.00 64.21 63.52 2x38 n SER 904 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2x38 n GLY 905 N -0.36 0.80 3.65 5.00 0.00 0.15 -4.19 105.19 110.23 2x38 n GLY 905 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 2x38 n GLY 905 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2x38 s GLN 906 N -0.82 4.02 0.25 1.61 -0.21 -1.25 -2.97 119.66 120.29 2x38 s GLN 906 Ca 0.00 2.46 -0.17 0.00 0.02 0.00 0.00 55.36 57.67 2x38 s GLN 906 Cb 0.00 -4.16 -0.08 0.00 1.00 0.00 0.00 33.01 29.77 2x38 s GLN 906 CO 0.00 -1.09 0.70 -1.17 -2.12 0.00 0.00 175.29 171.62 2x38 s LEU 907 N 4.87 4.25 0.28 2.90 0.20 -1.26 -0.70 118.68 129.23 2x38 s LEU 907 Ca 0.87 1.32 -0.14 0.00 0.69 0.00 0.00 54.13 56.87 2x38 s LEU 907 Cb -0.40 -3.71 0.01 0.00 -0.43 0.00 0.00 46.19 41.66 2x38 s LEU 907 CO 0.39 -0.04 0.58 0.72 -0.29 0.00 0.00 176.35 177.71 2x38 s PHE 908 N -1.67 0.25 0.05 5.38 -0.12 -0.01 -4.71 117.98 117.15 2x38 s PHE 908 Ca 0.46 -0.67 0.08 0.00 -0.05 0.00 0.00 56.93 56.75 2x38 s PHE 908 Cb -0.14 0.38 -0.03 0.00 -0.63 0.00 0.00 43.02 42.60 2x38 s PHE 908 CO 0.20 -1.14 -0.21 -1.01 -0.05 0.00 0.00 175.22 173.01 2x38 s HIS 909 N -3.69 2.48 0.31 3.49 3.76 -1.26 -0.59 115.29 119.78 2x38 s HIS 909 Ca 0.19 -0.30 0.05 0.00 -0.15 0.00 0.00 55.06 54.85 2x38 s HIS 909 Cb -0.03 -1.43 -0.06 0.00 1.11 0.00 0.00 32.58 32.17 2x38 s HIS 909 CO 0.10 0.22 0.01 0.96 -0.85 0.00 0.00 174.74 175.18 2x38 s ILE 910 N -0.90 1.39 -0.92 0.60 -4.36 -0.52 -4.95 121.20 111.54 2x38 s ILE 910 Ca 0.14 -2.05 -0.09 0.00 -0.26 0.00 0.00 60.65 58.40 2x38 s ILE 910 Cb -0.10 -2.64 0.00 0.00 1.25 0.00 0.00 42.46 40.96 2x38 s ILE 910 CO 0.04 -0.14 0.68 0.47 0.24 0.00 0.00 174.94 176.24 2x38 n ASP 911 N -0.64 -5.62 -4.69 4.36 8.00 -1.26 -4.80 116.55 111.90 2x38 n ASP 911 Ca -0.04 -0.80 -0.42 0.00 0.71 0.00 0.00 54.79 54.24 2x38 n ASP 911 Cb 0.65 -2.98 -0.03 0.00 -0.02 0.00 0.00 41.12 38.75 2x38 n ASP 911 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2x38 s PHE 912 N -3.16 3.50 -0.06 1.24 0.08 -1.26 -4.89 117.98 113.42 2x38 s PHE 912 Ca 0.17 1.58 0.04 0.00 0.12 0.00 0.00 56.93 58.83 2x38 s PHE 912 Cb -0.07 -3.20 -0.06 0.00 -0.57 0.00 0.00 43.02 39.12 2x38 s PHE 912 CO 0.86 -0.28 0.00 0.41 -0.10 0.00 0.00 175.22 176.11 2x38 n GLY 913 N 3.11 -0.23 2.77 4.36 0.00 -1.26 -4.47 105.19 109.47 2x38 n GLY 913 Ca 0.09 -0.08 -0.20 0.00 0.00 0.00 0.00 46.02 45.83 2x38 n GLY 913 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2x38 s HIS 914 N -2.13 0.42 0.32 1.61 3.76 -1.26 -5.04 115.29 112.97 2x38 s HIS 914 Ca -0.04 -0.02 0.03 0.00 -0.15 0.00 0.00 55.06 54.88 2x38 s HIS 914 Cb 0.02 -0.60 -0.04 0.00 1.11 0.00 0.00 32.58 33.08 2x38 s HIS 914 CO 0.21 -0.23 0.16 -0.59 -0.85 0.00 0.00 174.74 173.44 2x38 s PHE 915 N 1.65 1.65 -1.43 1.40 -0.00 -1.26 -3.78 117.98 116.21 2x38 s PHE 915 Ca -0.01 -1.36 -0.09 0.00 -0.00 0.00 0.00 56.93 55.48 2x38 s PHE 915 Cb -0.13 -0.91 0.05 0.00 -0.00 0.00 0.00 43.02 42.04 2x38 s PHE 915 CO -0.03 -0.49 0.67 1.28 -0.00 0.00 0.00 175.22 176.65 2x38 n LEU 916 N -0.63 -2.19 -1.23 -1.99 4.77 0.32 -2.43 117.00 113.63 2x38 n LEU 916 Ca 0.00 -0.46 -0.13 0.00 -0.03 0.00 0.00 56.01 55.39 2x38 n LEU 916 Cb 0.65 -2.51 -0.04 0.00 -2.33 0.00 0.00 43.42 39.19 2x38 n LEU 916 CO 0.35 0.27 -0.15 0.61 -1.33 0.00 0.00 177.39 177.15 2x38 n GLY 917 N -1.43 0.76 3.47 -0.72 0.00 -0.90 -4.91 105.19 101.46 2x38 n GLY 917 Ca -0.03 -0.37 -0.43 0.00 0.00 0.00 0.00 46.02 45.19 2x38 n GLY 917 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2x38 s ASN 918 N -2.67 6.26 0.00 1.61 0.02 -1.02 -4.17 114.94 114.96 2x38 s ASN 918 Ca 0.00 -0.71 0.00 0.00 -1.02 0.00 0.00 52.86 51.13 2x38 s ASN 918 Cb 0.00 -2.31 0.00 0.00 0.02 0.00 0.00 41.25 38.96 2x38 s ASN 918 CO 0.00 -0.88 0.00 2.22 0.02 0.00 0.00 177.10 178.46 2x38 n PHE 919 N 6.28 0.00 -1.51 2.20 -1.74 -1.26 -4.16 117.46 117.27 2x38 n PHE 919 Ca -0.05 0.00 -0.23 0.00 -0.56 0.00 0.00 57.45 56.62 2x38 n PHE 919 Cb 0.46 -0.12 -0.21 0.00 1.52 0.00 0.00 39.48 41.14 2x38 n PHE 919 CO 0.00 0.00 0.00 -2.13 -0.56 0.00 0.00 176.76 174.07 2x38 n ARG 929 N -2.19 0.06 -2.68 3.97 3.00 -1.26 -5.17 116.66 112.38 2x38 n ARG 929 Ca 0.00 -0.08 -0.41 0.00 -0.00 0.00 0.00 57.85 57.36 2x38 n ARG 929 Cb 0.00 -1.30 -0.04 0.00 0.00 0.00 0.00 32.46 31.12 2x38 n ARG 929 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 2x38 s VAL 930 N 2.09 4.50 0.76 5.15 -7.23 -1.26 -5.05 120.40 119.36 2x38 s VAL 930 Ca 1.29 1.99 -0.11 0.00 -1.81 0.00 0.00 61.98 63.33 2x38 s VAL 930 Cb -0.81 -4.27 0.05 0.00 0.56 0.00 0.00 36.38 31.91 2x38 s VAL 930 CO 0.52 0.26 1.09 -2.16 -0.31 0.00 0.00 175.10 174.50 2x38 s PRO 931 N 0.29 2.42 0.38 4.82 0.04 -1.26 -4.98 135.00 136.70 2x38 s PRO 931 Ca 0.49 0.66 -0.27 0.00 0.04 0.00 0.00 61.00 61.93 2x38 s PRO 931 Cb -0.24 -1.95 -0.09 0.00 0.04 0.00 0.00 34.50 32.26 2x38 s PRO 931 CO 0.30 -1.39 1.30 0.12 0.04 0.00 0.00 177.00 177.37 2x38 s PHE 932 N -3.18 2.90 -0.20 0.56 5.36 -1.26 -4.91 117.98 117.25 2x38 s PHE 932 Ca 0.60 1.41 -0.02 0.00 -0.96 0.00 0.00 56.93 57.96 2x38 s PHE 932 Cb -0.14 -3.67 0.00 0.00 -0.34 0.00 0.00 43.02 38.88 2x38 s PHE 932 CO 0.54 -1.99 -0.11 0.42 -1.46 0.00 0.00 175.22 172.62 2x38 s ILE 933 N -1.22 2.87 -0.21 3.12 -1.09 -1.26 -4.59 121.20 118.81 2x38 s ILE 933 Ca 0.54 -0.67 -0.00 0.00 -2.23 0.00 0.00 60.65 58.29 2x38 s ILE 933 Cb -0.38 -2.27 0.02 0.00 -1.58 0.00 0.00 42.46 38.25 2x38 s ILE 933 CO 0.50 0.47 -0.13 -0.76 -1.23 0.00 0.00 174.94 173.80 2x38 s LEU 934 N 1.34 2.64 -0.20 2.97 1.43 -1.26 -4.94 118.68 120.67 2x38 s LEU 934 Ca 0.04 -0.71 -0.11 0.00 -1.03 0.00 0.00 54.13 52.32 2x38 s LEU 934 Cb -0.14 -1.58 -0.05 0.00 0.03 0.00 0.00 46.19 44.45 2x38 s LEU 934 CO -0.06 -0.05 0.18 -0.89 0.23 0.00 0.00 176.35 175.76 2x38 s THR 935 N 1.32 5.37 0.28 5.49 2.01 -1.26 -4.27 115.64 124.58 2x38 s THR 935 Ca 0.03 0.29 -0.03 0.00 0.31 0.00 0.00 61.69 62.29 2x38 s THR 935 Cb -0.15 -3.52 0.35 0.00 0.01 0.00 0.00 72.50 69.20 2x38 s THR 935 CO -0.08 0.41 1.60 0.22 -0.69 0.00 0.00 174.62 176.08 2x38 h TYR 936 N 6.78 -0.07 -0.07 4.92 3.20 -1.96 -0.04 116.97 129.73 2x38 h TYR 936 Ca -0.41 0.07 -0.07 0.00 3.14 0.00 0.00 58.73 61.46 2x38 h TYR 936 Cb 1.16 0.17 -0.01 0.00 1.54 0.00 0.00 36.73 39.59 2x38 h TYR 936 CO 0.60 -0.33 -0.30 -0.44 -1.64 0.00 0.00 178.16 176.04 2x38 h ASP 937 N 0.06 0.12 0.02 -2.11 5.19 -1.94 0.32 116.42 118.09 2x38 h ASP 937 Ca 0.50 -0.04 -0.12 0.00 -0.62 0.00 0.00 57.03 56.76 2x38 h ASP 937 Cb 0.95 -0.03 0.01 0.00 0.18 0.00 0.00 39.33 40.44 2x38 h ASP 937 CO -0.80 0.42 -0.48 -0.26 -3.12 0.00 0.00 179.24 174.99 2x38 h PHE 938 N 0.11 0.45 -0.97 4.55 0.04 -1.48 -2.63 116.94 117.00 2x38 h PHE 938 Ca 0.02 -0.26 0.12 0.00 2.80 0.00 0.00 57.97 60.65 2x38 h PHE 938 Cb 0.59 -0.04 -0.08 0.00 2.20 0.00 0.00 35.95 38.62 2x38 h PHE 938 CO 0.00 1.09 0.62 0.28 -0.60 0.00 0.00 178.31 179.71 2x38 h VAL 939 N -0.33 0.91 -0.55 -0.55 2.07 -0.91 -1.00 116.25 115.89 2x38 h VAL 939 Ca -0.07 -0.32 -0.10 0.00 0.82 0.00 0.00 66.70 67.04 2x38 h VAL 939 Cb 1.24 -0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 2x38 h VAL 939 CO 0.09 0.17 -0.04 -0.74 0.02 0.00 0.00 177.57 177.08 2x38 h HIS 940 N 0.93 1.06 -0.25 1.57 6.17 -0.30 -2.15 115.15 122.18 2x38 h HIS 940 Ca 0.48 -0.19 -0.13 0.00 0.71 0.00 0.00 60.37 61.24 2x38 h HIS 940 Cb 0.52 -0.28 -0.00 0.00 2.52 0.00 0.00 27.41 30.17 2x38 h HIS 940 CO -0.00 0.97 -0.35 0.28 0.71 0.00 0.00 177.93 179.53 2x38 h VAL 941 N 0.89 1.31 -0.80 5.26 2.07 -1.03 -2.40 116.25 121.55 2x38 h VAL 941 Ca 0.16 -1.55 0.09 0.00 0.82 0.00 0.00 66.70 66.21 2x38 h VAL 941 Cb 0.57 1.70 -0.05 0.00 -1.52 0.00 0.00 31.29 31.99 2x38 h VAL 941 CO 0.03 0.49 0.52 0.40 0.02 0.00 0.00 177.57 179.03 2x38 h ILE 942 N 0.40 0.98 -0.22 4.57 2.04 -1.05 -1.52 117.51 122.72 2x38 h ILE 942 Ca 0.03 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.62 2x38 h ILE 942 Cb 0.94 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.15 2x38 h ILE 942 CO 0.08 0.14 0.00 0.00 0.00 0.00 0.00 178.15 178.37 2x38 n GLN 943 N -4.50 2.03 -2.08 2.37 6.02 -0.82 -4.70 117.38 115.70 2x38 n GLN 943 Ca 0.13 -1.00 -0.20 0.00 -0.01 0.00 0.00 57.00 55.92 2x38 n GLN 943 Cb 0.29 -1.54 -0.04 0.00 1.02 0.00 0.00 30.24 29.97 2x38 n GLN 943 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2x38 n GLN 944 N 0.22 -1.62 -0.02 -1.09 6.02 -0.57 -1.47 117.38 118.85 2x38 n GLN 944 Ca 0.09 1.06 0.00 0.00 -0.01 0.00 0.00 57.00 58.14 2x38 n GLN 944 Cb 0.43 -5.61 0.00 0.00 1.02 0.00 0.00 30.24 26.08 2x38 n GLN 944 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2x38 n GLY 945 N -0.75 0.78 3.85 1.08 0.00 -0.91 -5.05 105.19 104.18 2x38 n GLY 945 Ca -0.23 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 2x38 n GLY 945 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x38 s LYS 946 N -0.74 3.96 0.15 1.61 1.02 -0.54 -4.99 119.74 120.21 2x38 s LYS 946 Ca 0.00 0.66 -0.11 0.00 0.02 0.00 0.00 55.97 56.54 2x38 s LYS 946 Cb 0.00 -2.39 0.02 0.00 -0.52 0.00 0.00 37.83 34.94 2x38 s LYS 946 CO 0.00 0.07 1.59 1.15 -0.92 0.00 0.00 175.35 177.24 2x38 h THR 947 N 1.68 1.27 -3.71 2.17 2.02 -1.96 -3.43 112.91 110.95 2x38 h THR 947 Ca -0.48 -1.17 -0.51 0.00 0.77 0.00 0.00 66.41 65.03 2x38 h THR 947 Cb 1.18 1.00 -0.32 0.00 -1.74 0.00 0.00 68.15 68.26 2x38 h THR 947 CO 0.64 0.41 -0.82 0.20 0.37 0.00 0.00 175.52 176.33 2x38 s ASN 948 N -6.48 1.78 -0.48 4.18 0.01 -1.26 -5.04 114.94 107.65 2x38 s ASN 948 Ca -0.12 -0.29 0.05 0.00 -0.71 0.00 0.00 52.86 51.79 2x38 s ASN 948 Cb 0.12 -0.61 0.24 0.00 0.41 0.00 0.00 41.25 41.41 2x38 s ASN 948 CO 0.84 0.09 0.90 -3.20 -1.51 0.00 0.00 177.10 174.22 2x38 n ASN 949 N 3.41 -2.84 0.23 -1.22 2.85 -1.26 -5.00 115.26 111.43 2x38 n ASN 949 Ca -0.20 -3.09 0.08 0.00 -0.11 0.00 0.00 54.58 51.26 2x38 n ASN 949 Cb 0.53 1.72 0.54 0.00 1.24 0.00 0.00 39.78 43.81 2x38 n ASN 949 CO 0.00 0.00 0.00 0.77 -2.11 0.00 0.00 177.26 175.92 2x38 h SER 950 N 4.08 0.00 0.01 1.20 4.64 -1.98 -1.65 113.55 119.85 2x38 h SER 950 Ca -0.12 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.20 2x38 h SER 950 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 2x38 h SER 950 CO 0.23 0.22 -0.01 -0.08 -0.87 0.00 0.00 176.83 176.33 2x38 h GLU 951 N 0.00 -0.02 -0.11 4.77 4.81 -1.99 -0.54 114.58 121.51 2x38 h GLU 951 Ca -0.00 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.03 2x38 h GLU 951 Cb 0.49 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.88 2x38 h GLU 951 CO 0.03 0.01 -0.76 0.87 -0.73 0.00 0.00 179.01 178.42 2x38 h LYS 952 N -0.04 0.57 -0.35 1.92 1.79 -1.79 -2.69 116.57 115.98 2x38 h LYS 952 Ca -0.00 -0.47 -0.14 0.00 -2.18 0.00 0.00 60.65 57.85 2x38 h LYS 952 Cb 0.03 0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.77 2x38 h LYS 952 CO 0.00 1.10 -0.35 0.35 -1.08 0.00 0.00 179.45 179.47 2x38 h PHE 953 N 0.39 0.96 -0.05 -1.35 3.57 -1.23 -2.34 116.94 116.88 2x38 h PHE 953 Ca -0.04 -0.27 -0.19 0.00 3.53 0.00 0.00 57.97 61.00 2x38 h PHE 953 Cb 1.36 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.89 2x38 h PHE 953 CO 0.06 1.04 -0.79 0.93 -2.23 0.00 0.00 178.31 177.32 2x38 h GLU 954 N 0.67 0.37 -0.83 1.11 4.39 -1.15 -0.73 114.58 118.42 2x38 h GLU 954 Ca 0.07 -0.33 0.15 0.00 0.34 0.00 0.00 59.36 59.58 2x38 h GLU 954 Cb 0.90 0.08 -0.10 0.00 -0.10 0.00 0.00 28.75 29.54 2x38 h GLU 954 CO 0.08 0.99 0.40 0.00 -1.16 0.00 0.00 179.01 179.32 2x38 h ARG 955 N 0.24 0.55 -0.49 2.33 3.08 -1.43 0.15 114.38 118.80 2x38 h ARG 955 Ca -0.04 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 2x38 h ARG 955 Cb 1.38 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 31.29 2x38 h ARG 955 CO 0.13 0.36 0.23 0.35 -1.07 0.00 0.00 179.97 179.98 2x38 h PHE 956 N 0.56 0.71 -0.61 3.04 3.57 -0.87 -2.02 116.94 121.33 2x38 h PHE 956 Ca 0.46 -0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.97 2x38 h PHE 956 Cb 0.68 -0.22 -0.05 0.00 2.79 0.00 0.00 35.95 39.15 2x38 h PHE 956 CO -0.11 0.57 0.33 -0.09 -2.23 0.00 0.00 178.31 176.77 2x38 h ARG 957 N 0.65 0.60 -0.42 1.11 2.43 -0.25 -2.39 114.38 116.11 2x38 h ARG 957 Ca 0.17 -0.04 0.08 0.00 -0.81 0.00 0.00 59.98 59.38 2x38 h ARG 957 Cb 0.12 -0.14 -0.07 0.00 -0.42 0.00 0.00 29.97 29.47 2x38 h ARG 957 CO -0.02 0.40 0.01 0.78 -1.51 0.00 0.00 179.97 179.63 2x38 h GLY 958 N 0.62 0.43 0.35 2.80 0.00 -0.31 -0.17 103.07 106.79 2x38 h GLY 958 Ca 0.27 0.04 0.06 0.00 0.00 0.00 0.00 47.33 47.71 2x38 h GLY 958 CO -0.17 -0.10 -0.08 -0.97 0.00 0.00 0.00 176.54 175.22 2x38 h TYR 959 N 0.12 -0.18 -0.67 5.60 0.05 -1.03 0.83 116.97 121.69 2x38 h TYR 959 Ca 0.21 0.03 0.02 0.00 0.05 0.00 0.00 58.73 59.03 2x38 h TYR 959 Cb 0.30 0.13 -0.04 0.00 1.01 0.00 0.00 36.73 38.13 2x38 h TYR 959 CO -0.27 -0.14 0.43 0.00 -1.05 0.00 0.00 178.16 177.13 2x38 h GLU 961 N 0.87 0.24 -0.44 0.00 5.08 -0.72 -0.16 114.58 119.45 2x38 h GLU 961 Ca 0.26 -0.08 0.04 0.00 -1.00 0.00 0.00 59.36 58.58 2x38 h GLU 961 Cb -0.05 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.13 2x38 h GLU 961 CO -0.08 0.47 0.19 0.00 -1.00 0.00 0.00 179.01 178.60 2x38 h ARG 962 N -0.02 0.38 -0.51 2.33 3.08 -0.64 -0.16 114.38 118.85 2x38 h ARG 962 Ca 0.04 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2x38 h ARG 962 Cb 0.36 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.30 2x38 h ARG 962 CO 0.01 0.25 0.33 0.00 -1.07 0.00 0.00 179.97 179.48 2x38 h ALA 963 N 1.26 0.65 -0.25 0.04 0.00 -0.51 -2.00 119.26 118.44 2x38 h ALA 963 Ca 0.20 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 2x38 h ALA 963 Cb 0.14 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2x38 h ALA 963 CO -0.16 0.11 0.01 -0.92 0.00 0.00 0.00 179.25 178.29 2x38 h TYR 964 N 0.69 0.47 -0.12 0.00 3.20 -0.82 -2.78 116.97 117.61 2x38 h TYR 964 Ca 0.19 -0.08 -0.09 0.00 3.14 0.00 0.00 58.73 61.89 2x38 h TYR 964 Cb -0.05 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.08 2x38 h TYR 964 CO -0.03 0.58 -0.33 1.79 -1.64 0.00 0.00 178.16 178.53 2x38 h THR 965 N 0.22 1.27 -0.56 1.81 1.35 -0.94 -2.50 112.91 113.56 2x38 h THR 965 Ca 0.07 -1.30 -0.03 0.00 -0.55 0.00 0.00 66.41 64.60 2x38 h THR 965 Cb 0.39 1.54 -0.02 0.00 -1.73 0.00 0.00 68.15 68.33 2x38 h THR 965 CO 0.01 0.39 0.23 0.40 -0.25 0.00 0.00 175.52 176.30 2x38 h ILE 966 N 0.20 1.22 -0.65 6.82 2.04 -1.30 -3.08 117.51 122.75 2x38 h ILE 966 Ca 0.03 -0.68 -0.06 0.00 1.00 0.00 0.00 64.86 65.15 2x38 h ILE 966 Cb 0.68 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 2x38 h ILE 966 CO 0.05 0.26 0.19 -0.07 0.00 0.00 0.00 178.15 178.58 2x38 h LEU 967 N 0.77 0.94 -1.32 1.44 3.38 -1.20 -2.57 115.31 116.75 2x38 h LEU 967 Ca 0.19 -0.17 0.17 0.00 0.09 0.00 0.00 57.88 58.16 2x38 h LEU 967 Cb 0.19 -0.25 -0.08 0.00 0.09 0.00 0.00 40.66 40.62 2x38 h LEU 967 CO -0.02 0.89 0.59 0.03 0.09 0.00 0.00 178.44 180.02 2x38 h ARG 968 N 0.97 0.59 0.00 1.13 3.08 -1.38 -1.19 114.38 117.57 2x38 h ARG 968 Ca 0.21 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 60.13 2x38 h ARG 968 Cb 0.30 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 2x38 h ARG 968 CO -0.01 0.39 -0.45 0.00 -1.07 0.00 0.00 179.97 178.83 2x38 h ARG 969 N 0.60 0.00 -0.63 0.04 3.08 -1.40 -2.10 114.38 113.98 2x38 h ARG 969 Ca 0.48 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 60.36 2x38 h ARG 969 Cb 0.91 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.86 2x38 h ARG 969 CO -0.23 0.45 0.18 0.72 -1.07 0.00 0.00 179.97 180.03 2x38 n HIS 970 N -3.80 2.11 -0.26 3.04 8.25 -0.80 -4.67 115.22 119.09 2x38 n HIS 970 Ca -0.01 -1.15 0.07 0.00 -0.26 0.00 0.00 57.72 56.37 2x38 n HIS 970 Cb 0.50 -0.61 0.20 0.00 1.12 0.00 0.00 29.99 31.21 2x38 n HIS 970 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 2x38 h GLY 971 N 2.55 1.17 2.00 -1.41 0.00 -0.52 0.26 103.07 107.12 2x38 h GLY 971 Ca 0.20 -0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.39 2x38 h GLY 971 CO 0.62 -0.16 -0.11 1.41 0.00 0.00 0.00 176.54 178.30 2x38 h LEU 972 N 0.38 0.00 -0.15 3.11 3.38 -1.83 -2.25 115.31 117.95 2x38 h LEU 972 Ca 0.44 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.37 2x38 h LEU 972 Cb 0.73 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 2x38 h LEU 972 CO -0.46 0.11 -0.06 0.25 0.09 0.00 0.00 178.44 178.38 2x38 h LEU 973 N 0.00 0.32 -0.63 1.67 5.85 -1.30 -1.20 115.31 120.02 2x38 h LEU 973 Ca -0.00 -0.39 0.04 0.00 0.84 0.00 0.00 57.88 58.37 2x38 h LEU 973 Cb 0.21 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.10 2x38 h LEU 973 CO 0.01 0.64 0.37 -0.26 -0.34 0.00 0.00 178.44 178.86 2x38 h PHE 974 N -0.01 0.68 -0.32 1.25 0.04 -1.31 -1.47 116.94 115.81 2x38 h PHE 974 Ca 0.04 0.02 0.02 0.00 2.80 0.00 0.00 57.97 60.85 2x38 h PHE 974 Cb 0.51 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 38.42 2x38 h PHE 974 CO 0.06 0.36 0.17 -0.07 -0.60 0.00 0.00 178.31 178.22 2x38 h LEU 975 N 0.70 0.25 -0.66 1.54 3.38 -1.32 0.79 115.31 120.00 2x38 h LEU 975 Ca 0.27 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 58.13 2x38 h LEU 975 Cb 0.10 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2x38 h LEU 975 CO -0.14 0.19 -0.28 0.45 0.09 0.00 0.00 178.44 178.75 2x38 h HIS 976 N 0.34 0.86 0.09 1.13 3.86 -1.11 -1.06 115.15 119.26 2x38 h HIS 976 Ca 0.13 -0.21 -0.00 0.00 -1.16 0.00 0.00 60.37 59.12 2x38 h HIS 976 Cb 0.03 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.30 2x38 h HIS 976 CO -0.09 0.94 -0.04 -0.07 0.86 0.00 0.00 177.93 179.53 2x38 h LEU 977 N 0.64 -0.10 -1.38 2.43 3.38 -1.08 -2.27 115.31 116.94 2x38 h LEU 977 Ca 0.08 -0.22 0.06 0.00 0.09 0.00 0.00 57.88 57.89 2x38 h LEU 977 Cb 0.79 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.52 2x38 h LEU 977 CO 0.07 0.17 0.47 -0.26 0.09 0.00 0.00 178.44 178.97 2x38 h PHE 978 N -0.37 0.77 -0.75 1.13 -1.00 -0.83 -2.01 116.94 113.88 2x38 h PHE 978 Ca -0.01 0.02 -0.04 0.00 2.81 0.00 0.00 57.97 60.74 2x38 h PHE 978 Cb 0.31 -0.25 -0.03 0.00 3.61 0.00 0.00 35.95 39.58 2x38 h PHE 978 CO 0.01 0.41 0.30 0.00 -1.61 0.00 0.00 178.31 177.42 2x38 h ALA 979 N 1.61 1.11 0.00 2.45 0.00 -1.07 -1.58 119.26 121.78 2x38 h ALA 979 Ca 0.31 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 2x38 h ALA 979 Cb 0.24 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2x38 h ALA 979 CO -0.10 0.64 -0.36 -0.07 0.00 0.00 0.00 179.25 179.36 2x38 h LEU 980 N 1.10 0.00 -0.68 0.00 3.38 -0.78 -3.09 115.31 115.23 2x38 h LEU 980 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 2x38 h LEU 980 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2x38 h LEU 980 CO -0.02 0.36 0.00 0.24 0.09 0.00 0.00 178.44 179.10 2x38 h MET 981 N 0.00 0.00 -0.07 1.13 2.86 -0.62 -2.90 114.93 115.33 2x38 h MET 981 Ca -0.00 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.66 2x38 h MET 981 Cb 0.87 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.52 2x38 h MET 981 CO 0.05 0.00 0.27 0.00 1.06 0.00 0.00 176.91 178.29 2x38 h ARG 982 N 0.00 0.00 0.00 1.72 3.08 -1.42 0.94 114.38 118.70 2x38 h ARG 982 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2x38 h ARG 982 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.70 2x38 h ARG 982 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.90 2x38 n ALA 983 N -2.03 1.99 0.09 0.04 0.00 -1.09 -3.60 120.51 115.91 2x38 n ALA 983 Ca -0.01 -0.09 -0.08 0.00 0.00 0.00 0.00 53.44 53.27 2x38 n ALA 983 Cb 0.35 -1.31 -0.01 0.00 0.00 0.00 0.00 19.45 18.47 2x38 n ALA 983 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2x38 h ALA 984 N 2.86 0.51 0.00 0.00 0.00 -1.06 -3.48 119.26 118.10 2x38 h ALA 984 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.17 2x38 h ALA 984 Cb 0.21 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2x38 h ALA 984 CO 0.00 0.95 0.00 0.41 0.00 0.00 0.00 179.25 180.61 2x38 n GLY 985 N 0.91 0.98 3.61 0.00 0.00 -1.24 -5.04 105.19 104.41 2x38 n GLY 985 Ca -0.03 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.47 2x38 n GLY 985 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2x38 n LEU 986 N 0.00 1.85 0.21 0.99 4.32 -1.26 -4.88 117.00 118.22 2x38 n LEU 986 Ca 0.00 1.11 0.07 0.00 -0.02 0.00 0.00 56.01 57.17 2x38 n LEU 986 Cb 0.00 -1.21 0.45 0.00 -1.62 0.00 0.00 43.42 41.04 2x38 n LEU 986 CO 0.00 -0.92 0.77 -0.65 -1.22 0.00 0.00 177.39 175.37 2x38 h PRO 987 N 4.95 0.00 -0.13 3.23 0.11 -2.01 -2.28 132.00 135.87 2x38 h PRO 987 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2x38 h PRO 987 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 2x38 h PRO 987 CO 0.80 0.29 0.00 0.39 -0.21 0.00 0.00 178.00 179.28 2x38 n GLU 988 N -3.66 1.58 -3.17 1.05 1.02 -1.26 -4.14 120.64 112.07 2x38 n GLU 988 Ca -0.01 -0.88 -0.21 0.00 -0.02 0.00 0.00 57.16 56.04 2x38 n GLU 988 Cb 0.41 -1.38 -0.04 0.00 -0.02 0.00 0.00 31.44 30.41 2x38 n GLU 988 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2x38 n LEU 989 N 0.10 1.31 -0.08 -4.62 7.94 -0.86 -4.85 117.00 115.95 2x38 n LEU 989 Ca 0.16 -5.05 -0.09 0.00 -1.11 0.00 0.00 56.01 49.92 2x38 n LEU 989 Cb 0.28 0.47 -0.11 0.00 0.53 0.00 0.00 43.42 44.59 2x38 n LEU 989 CO 0.13 2.24 -1.01 -1.20 -1.11 0.00 0.00 177.39 176.43 2x38 n SER 990 N 0.48 1.71 -3.17 1.96 7.64 -1.24 -4.58 113.62 116.42 2x38 n SER 990 Ca 0.25 -0.03 -0.15 0.00 1.01 0.00 0.00 58.87 59.96 2x38 n SER 990 Cb 0.58 0.54 -0.03 0.00 -1.01 0.00 0.00 64.21 64.29 2x38 n SER 990 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2x38 h SER 992 N 2.08 0.61 -0.72 0.00 0.02 -2.00 -1.42 113.55 112.13 2x38 h SER 992 Ca -0.28 0.08 0.05 0.00 -0.84 0.00 0.00 61.79 60.79 2x38 h SER 992 Cb 1.24 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 63.70 2x38 h SER 992 CO 0.39 0.21 0.47 0.11 -1.14 0.00 0.00 176.83 176.87 2x38 h LYS 993 N 0.59 0.78 -0.27 3.45 1.79 -1.98 0.18 116.57 121.11 2x38 h LYS 993 Ca 0.55 -0.05 -0.17 0.00 -2.18 0.00 0.00 60.65 58.80 2x38 h LYS 993 Cb 1.08 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 31.56 2x38 h LYS 993 CO -0.30 0.52 -0.49 -0.44 -1.08 0.00 0.00 179.45 177.66 2x38 h ASP 994 N 0.80 0.90 -0.33 0.86 3.32 -1.60 -2.20 116.42 118.17 2x38 h ASP 994 Ca 0.30 -0.53 -0.03 0.00 0.02 0.00 0.00 57.03 56.79 2x38 h ASP 994 Cb 0.16 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 2x38 h ASP 994 CO -0.09 1.26 0.10 0.40 -1.72 0.00 0.00 179.24 179.19 2x38 h ILE 995 N 0.57 1.21 -0.61 0.35 1.08 -1.36 -2.88 117.51 115.87 2x38 h ILE 995 Ca 0.01 -0.68 0.10 0.00 -0.39 0.00 0.00 64.86 63.91 2x38 h ILE 995 Cb 1.10 1.03 -0.04 0.00 -3.07 0.00 0.00 36.82 35.84 2x38 h ILE 995 CO 0.11 0.23 0.41 -0.61 -0.69 0.00 0.00 178.15 177.60 2x38 h GLN 996 N 0.37 0.39 -0.83 2.37 5.75 -0.65 0.02 115.11 122.54 2x38 h GLN 996 Ca 0.11 -0.02 0.14 0.00 -0.15 0.00 0.00 58.65 58.73 2x38 h GLN 996 Cb 0.26 -0.09 -0.09 0.00 1.07 0.00 0.00 27.48 28.63 2x38 h GLN 996 CO -0.00 0.25 0.41 -0.92 -2.65 0.00 0.00 178.83 175.92 2x38 h TYR 997 N 0.40 0.71 -0.03 3.99 3.20 -1.16 -1.52 116.97 122.56 2x38 h TYR 997 Ca 0.28 0.03 -0.12 0.00 3.14 0.00 0.00 58.73 62.06 2x38 h TYR 997 Cb 0.58 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.64 2x38 h TYR 997 CO -0.00 0.16 -0.56 -0.07 -1.64 0.00 0.00 178.16 176.05 2x38 h LEU 998 N 0.58 0.10 -0.33 2.82 3.38 -1.06 -1.13 115.31 119.67 2x38 h LEU 998 Ca 0.45 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.31 2x38 h LEU 998 Cb 0.64 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 2x38 h LEU 998 CO -0.37 0.63 -0.02 0.11 0.09 0.00 0.00 178.44 178.89 2x38 h LYS 999 N 0.07 0.59 -0.06 1.13 1.57 -1.27 -1.87 116.57 116.73 2x38 h LYS 999 Ca -0.00 -0.20 -0.14 0.00 -1.87 0.00 0.00 60.65 58.44 2x38 h LYS 999 Cb 1.01 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.25 2x38 h LYS 999 CO 0.08 0.73 -0.58 -0.44 -0.57 0.00 0.00 179.45 178.67 2x38 h ASP 1000N 0.39 0.21 -0.23 0.86 3.32 -1.14 -0.53 116.42 119.31 2x38 h ASP 1000Ca 0.09 -0.12 -0.13 0.00 0.02 0.00 0.00 57.03 56.89 2x38 h ASP 1000Cb 0.48 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.97 2x38 h ASP 1000CO 0.02 0.75 -0.37 0.77 -1.72 0.00 0.00 179.24 178.68 2x38 h SER 1001N 0.14 0.73 -0.10 6.45 4.64 -1.16 -3.12 113.55 121.13 2x38 h SER 1001Ca -0.00 -0.52 0.00 0.00 -0.47 0.00 0.00 61.79 60.79 2x38 h SER 1001Cb 1.07 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 2x38 h SER 1001CO 0.09 1.11 0.00 0.18 -0.87 0.00 0.00 176.83 177.34 2x38 n LEU 1002N -4.24 1.43 -4.17 5.97 4.77 -0.71 -4.89 117.00 115.17 2x38 n LEU 1002Ca -0.05 -0.56 -0.38 0.00 -0.03 0.00 0.00 56.01 54.99 2x38 n LEU 1002Cb 0.52 -0.06 -0.04 0.00 -2.33 0.00 0.00 43.42 41.51 2x38 n LEU 1002CO 0.46 0.28 -0.31 0.00 -1.33 0.00 0.00 177.39 176.48 2x38 n ALA 1003N 0.15 -2.27 -0.12 -1.18 0.00 -0.22 -4.84 120.51 112.03 2x38 n ALA 1003Ca 0.17 -0.50 -0.04 0.00 0.00 0.00 0.00 53.44 53.08 2x38 n ALA 1003Cb 0.31 -1.62 0.17 0.00 0.00 0.00 0.00 19.45 18.31 2x38 n ALA 1003CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2x38 h LEU 1004N -2.09 0.77 0.00 0.00 -0.00 -1.84 -2.58 115.31 109.57 2x38 h LEU 1004Ca -0.66 -0.17 0.00 0.00 -0.00 0.00 0.00 57.88 57.05 2x38 h LEU 1004Cb 1.35 -0.20 0.00 0.00 -0.00 0.00 0.00 40.66 41.81 2x38 h LEU 1004CO 0.59 0.81 0.00 0.61 -0.00 0.00 0.00 178.44 180.45 2x38 n GLY 1005N -0.71 -0.61 3.82 0.83 0.00 -1.26 -4.78 105.19 102.48 2x38 n GLY 1005Ca 0.03 -0.06 -0.22 0.00 0.00 0.00 0.00 46.02 45.77 2x38 n GLY 1005CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x38 s LYS 1006N -2.00 2.92 0.83 1.61 1.02 -0.97 -5.11 119.74 118.03 2x38 s LYS 1006Ca 0.15 -1.07 -0.11 0.00 0.02 0.00 0.00 55.97 54.97 2x38 s LYS 1006Cb 0.07 -2.56 0.09 0.00 -0.52 0.00 0.00 37.83 34.91 2x38 s LYS 1006CO 0.12 0.39 1.09 0.95 -0.92 0.00 0.00 175.35 176.98 2x38 s THR 1007N -2.14 3.03 0.47 2.17 -4.23 -1.26 -4.81 115.64 108.86 2x38 s THR 1007Ca 0.33 0.33 0.13 0.00 -1.18 0.00 0.00 61.69 61.31 2x38 s THR 1007Cb -0.08 -2.79 0.28 0.00 1.34 0.00 0.00 72.50 71.25 2x38 s THR 1007CO 0.25 -0.44 2.08 -0.08 -0.54 0.00 0.00 174.62 175.90 2x38 h GLU 1008N -1.32 0.26 -0.06 3.99 4.81 -1.96 -1.62 114.58 118.68 2x38 h GLU 1008Ca -0.46 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 58.76 2x38 h GLU 1008Cb 1.25 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.57 2x38 h GLU 1008CO 0.52 0.17 0.03 1.49 -0.73 0.00 0.00 179.01 180.49 2x38 h GLU 1009N 0.27 0.08 0.13 1.92 4.57 -1.99 -1.36 114.58 118.19 2x38 h GLU 1009Ca 0.11 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.27 2x38 h GLU 1009Cb 0.12 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.69 2x38 h GLU 1009CO -0.02 0.16 -0.06 0.93 -1.18 0.00 0.00 179.01 178.84 2x38 h GLU 1010N -0.02 -0.17 -0.96 1.92 5.08 -1.79 -1.72 114.58 116.92 2x38 h GLU 1010Ca 0.02 0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.52 2x38 h GLU 1010Cb 0.11 0.04 -0.09 0.00 0.50 0.00 0.00 28.75 29.31 2x38 h GLU 1010CO -0.00 0.14 0.58 0.00 -1.00 0.00 0.00 179.01 178.73 2x38 h ALA 1011N 0.32 1.47 -0.30 3.43 0.00 -1.35 0.17 119.26 123.00 2x38 h ALA 1011Ca -0.02 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 2x38 h ALA 1011Cb 0.39 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2x38 h ALA 1011CO 0.03 0.12 -0.00 1.25 0.00 0.00 0.00 179.25 180.65 2x38 h LEU 1012N 0.88 0.52 -0.32 0.00 5.85 -1.19 0.31 115.31 121.35 2x38 h LEU 1012Ca 0.49 -0.31 0.07 0.00 0.84 0.00 0.00 57.88 58.98 2x38 h LEU 1012Cb 0.57 -0.14 -0.08 0.00 0.37 0.00 0.00 40.66 41.38 2x38 h LEU 1012CO -0.30 0.70 -0.25 0.50 -0.34 0.00 0.00 178.44 178.76 2x38 h LYS 1013N 0.32 -0.21 0.18 1.25 1.63 -0.39 0.18 116.57 119.52 2x38 h LYS 1013Ca 0.08 0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.90 2x38 h LYS 1013Cb 0.44 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.10 2x38 h LYS 1013CO 0.02 -0.14 -0.14 1.25 -3.45 0.00 0.00 179.45 176.99 2x38 h HIS 1014N -0.21 -0.35 -0.75 1.91 2.76 -0.45 -2.32 115.15 115.74 2x38 h HIS 1014Ca 0.16 -0.00 0.12 0.00 -2.20 0.00 0.00 60.37 58.45 2x38 h HIS 1014Cb 0.47 0.13 -0.05 0.00 1.55 0.00 0.00 27.41 29.51 2x38 h HIS 1014CO -0.44 -0.21 0.49 0.35 -1.30 0.00 0.00 177.93 176.82 2x38 h PHE 1015N -0.32 0.62 -0.51 5.26 3.57 -0.08 -2.29 116.94 123.19 2x38 h PHE 1015Ca -0.01 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.42 2x38 h PHE 1015Cb 0.29 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 2x38 h PHE 1015CO -0.11 0.27 -0.03 0.00 -2.23 0.00 0.00 178.31 176.21 2x38 h ARG 1016N 0.56 0.92 -0.58 1.11 3.08 -0.42 0.45 114.38 119.50 2x38 h ARG 1016Ca 0.35 -0.31 -0.03 0.00 0.07 0.00 0.00 59.98 60.07 2x38 h ARG 1016Cb 0.61 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.56 2x38 h ARG 1016CO -0.13 0.96 0.26 0.28 -1.07 0.00 0.00 179.97 180.27 2x38 h VAL 1017N 0.79 1.21 -0.59 2.04 2.07 -1.08 0.21 116.25 120.90 2x38 h VAL 1017Ca 0.14 -0.63 0.02 0.00 0.82 0.00 0.00 66.70 67.05 2x38 h VAL 1017Cb 0.56 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 2x38 h VAL 1017CO 0.03 0.25 0.37 0.11 0.02 0.00 0.00 177.57 178.36 2x38 h LYS 1018N 0.78 0.73 0.10 1.57 1.79 -1.07 0.42 116.57 120.89 2x38 h LYS 1018Ca 0.20 -0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 58.62 2x38 h LYS 1018Cb 0.15 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 30.64 2x38 h LYS 1018CO -0.02 0.48 -0.05 0.35 -1.08 0.00 0.00 179.45 179.13 2x38 h PHE 1019N 0.75 -0.13 -0.32 -1.35 3.57 -0.64 -1.79 116.94 117.03 2x38 h PHE 1019Ca 0.23 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.77 2x38 h PHE 1019Cb -0.02 0.04 -0.04 0.00 2.79 0.00 0.00 35.95 38.72 2x38 h PHE 1019CO -0.05 0.13 0.10 -0.91 -2.23 0.00 0.00 178.31 175.35 2x38 h ASN 1020N -0.37 0.09 -0.53 0.41 2.35 -0.35 -0.51 115.58 116.67 2x38 h ASN 1020Ca -0.01 0.04 0.13 0.00 -0.55 0.00 0.00 56.30 55.90 2x38 h ASN 1020Cb 0.31 0.03 -0.03 0.00 0.05 0.00 0.00 38.32 38.69 2x38 h ASN 1020CO 0.02 0.09 0.37 -0.33 -1.65 0.00 0.00 177.43 175.93 2x38 h GLU 1021N 0.23 0.15 0.04 0.81 5.08 -0.14 -1.83 114.58 118.92 2x38 h GLU 1021Ca 0.15 -0.01 -0.25 0.00 -1.00 0.00 0.00 59.36 58.24 2x38 h GLU 1021Cb 0.13 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.36 2x38 h GLU 1021CO -0.16 0.10 -1.06 0.00 -1.00 0.00 0.00 179.01 176.89 2x38 h ALA 1022N 1.74 0.21 -0.68 3.43 0.00 -0.25 -2.80 119.26 120.90 2x38 h ALA 1022Ca 0.25 -0.74 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 2x38 h ALA 1022Cb 0.80 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 2x38 h ALA 1022CO -0.04 0.78 0.29 1.25 0.00 0.00 0.00 179.25 181.53 2x38 h LEU 1023N 0.26 0.90 -0.38 0.00 5.85 -0.41 -2.70 115.31 118.83 2x38 h LEU 1023Ca -0.12 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.51 2x38 h LEU 1023Cb 1.71 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 42.48 2x38 h LEU 1023CO 0.19 0.79 0.20 0.03 -0.34 0.00 0.00 178.44 179.31 2x38 h ARG 1024N 0.97 0.39 -0.97 1.25 3.08 -1.37 -2.83 114.38 114.91 2x38 h ARG 1024Ca 0.23 -0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.32 2x38 h ARG 1024Cb 0.16 -0.09 -0.06 0.00 0.08 0.00 0.00 29.97 30.06 2x38 h ARG 1024CO -0.02 0.26 0.63 1.49 -1.07 0.00 0.00 179.97 181.26 2x38 h GLU 1025N 0.41 1.10 -6.09 0.04 4.57 -1.21 -3.38 114.58 110.01 2x38 h GLU 1025Ca 0.16 -0.07 -0.60 0.00 -1.18 0.00 0.00 59.36 57.67 2x38 h GLU 1025Cb 0.05 -0.25 0.00 0.00 -0.16 0.00 0.00 28.75 28.39 2x38 h GLU 1025CO -0.10 0.73 1.38 0.45 -1.18 0.00 0.00 179.01 180.29 2x38 n SER 1026N -4.49 3.26 0.00 1.04 2.88 -1.06 -5.04 113.62 110.21 2x38 n SER 1026Ca 0.15 0.48 0.00 0.00 -1.33 0.00 0.00 58.87 58.16 2x38 n SER 1026Cb 0.18 -1.47 0.00 0.00 -0.75 0.00 0.00 64.21 62.17 2x38 n SER 1026CO 0.00 0.00 0.00 0.79 -1.23 0.00 0.00 175.04 174.60