#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qsg h ALA 124 N 0.00 0.61 -0.19 -1.67 0.00 -2.04 -3.13 119.26 112.85 2qsg h ALA 124 Ca 0.00 -0.63 -0.13 0.00 0.00 0.00 0.00 54.91 54.15 2qsg h ALA 124 Cb 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2qsg h ALA 124 CO 0.00 0.79 -0.44 0.00 0.00 0.00 0.00 179.25 179.60 2qsg h ARG 125 N 0.21 0.45 -0.50 0.00 2.47 -1.99 -0.02 114.38 115.00 2qsg h ARG 125 Ca -0.03 -0.24 0.08 0.00 -1.26 0.00 0.00 59.98 58.53 2qsg h ARG 125 Cb 1.33 0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 29.63 2qsg h ARG 125 CO 0.12 0.81 0.34 0.00 0.56 0.00 0.00 179.97 181.80 2qsg h ARG 126 N 0.37 0.34 0.04 0.04 2.47 -1.86 -3.03 114.38 112.75 2qsg h ARG 126 Ca 0.03 -0.02 -0.34 0.00 -1.26 0.00 0.00 59.98 58.39 2qsg h ARG 126 Cb 0.93 -0.08 -0.05 0.00 -1.65 0.00 0.00 29.97 29.12 2qsg h ARG 126 CO 0.08 0.22 -2.00 2.41 0.56 0.00 0.00 179.97 181.24 2qsg n THR 127 N -4.47 1.61 -0.01 2.04 -1.04 -0.98 -4.42 114.28 107.02 2qsg n THR 127 Ca 0.07 -0.74 -0.00 0.00 -2.04 0.00 0.00 64.05 61.34 2qsg n THR 127 Cb 0.32 -1.17 -0.00 0.00 -1.82 0.00 0.00 70.33 67.65 2qsg n THR 127 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2qsg h SER 128 N 0.02 -0.06 -2.51 8.00 0.02 -0.88 -3.16 113.55 114.97 2qsg h SER 128 Ca -0.41 0.01 -0.54 0.00 -0.84 0.00 0.00 61.79 60.02 2qsg h SER 128 Cb 2.05 0.03 -0.04 0.00 0.14 0.00 0.00 62.40 64.57 2qsg h SER 128 CO 0.05 -0.01 1.22 0.00 -1.14 0.00 0.00 176.83 176.95 2qsg s ARG 129 N -3.09 3.09 0.00 3.45 1.70 -1.20 -4.89 118.95 118.01 2qsg s ARG 129 Ca -0.00 0.73 -0.02 0.00 -0.47 0.00 0.00 55.73 55.96 2qsg s ARG 129 Cb 0.00 -4.23 -0.09 0.00 -0.57 0.00 0.00 34.95 30.06 2qsg s ARG 129 CO 0.02 -2.18 2.34 -1.71 -1.08 0.00 0.00 175.30 172.69 2qsg n ASN 130 N 10.78 4.68 -4.97 -2.89 5.15 -1.20 -4.80 115.26 122.01 2qsg n ASN 130 Ca 0.17 -2.29 -0.21 0.00 -0.60 0.00 0.00 54.58 51.65 2qsg n ASN 130 Cb 0.50 -1.10 -0.00 0.00 -0.53 0.00 0.00 39.78 38.65 2qsg n ASN 130 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2qsg s VAL 131 N 0.62 4.44 0.47 3.44 1.01 -1.26 -1.07 120.40 128.05 2qsg s VAL 131 Ca 0.23 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.44 2qsg s VAL 131 Cb 0.11 -3.58 0.03 0.00 0.00 0.00 0.00 36.38 32.94 2qsg s VAL 131 CO 0.00 -0.29 0.26 0.00 0.00 0.00 0.00 175.10 175.07 2qsg s SER 133 N -3.73 5.98 0.36 0.00 1.04 -1.26 -4.90 113.70 111.19 2qsg s SER 133 Ca 0.20 1.52 0.04 0.00 0.48 0.00 0.00 55.95 58.19 2qsg s SER 133 Cb -0.02 -2.49 0.67 0.00 0.10 0.00 0.00 66.02 64.29 2qsg s SER 133 CO 0.13 -1.03 1.96 -1.13 0.98 0.00 0.00 173.24 174.14 2qsg h ASN 134 N -0.28 0.58 -0.52 7.02 -1.24 -2.00 -0.91 115.58 118.23 2qsg h ASN 134 Ca -0.44 -0.05 0.09 0.00 0.71 0.00 0.00 56.30 56.60 2qsg h ASN 134 Cb 1.20 -0.15 -0.07 0.00 0.73 0.00 0.00 38.32 40.03 2qsg h ASN 134 CO 0.60 0.51 0.12 -0.33 -1.29 0.00 0.00 177.43 177.04 2qsg h GLU 135 N 0.65 0.26 -0.29 6.67 5.08 -2.00 -2.13 114.58 122.82 2qsg h GLU 135 Ca 0.16 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.49 2qsg h GLU 135 Cb 0.09 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 2qsg h GLU 135 CO -0.02 0.17 0.11 0.93 -1.00 0.00 0.00 179.01 179.20 2qsg h GLU 136 N 0.27 0.43 -0.56 2.33 4.39 -1.69 -2.25 114.58 117.50 2qsg h GLU 136 Ca 0.26 -0.08 0.11 0.00 0.34 0.00 0.00 59.36 59.99 2qsg h GLU 136 Cb 0.34 -0.07 -0.11 0.00 -0.10 0.00 0.00 28.75 28.81 2qsg h GLU 136 CO -0.32 0.46 -0.23 0.00 -1.16 0.00 0.00 179.01 177.76 2qsg h ARG 137 N 0.31 -0.09 -0.55 2.33 3.08 -0.84 0.29 114.38 118.91 2qsg h ARG 137 Ca 0.10 0.01 -0.11 0.00 0.07 0.00 0.00 59.98 60.04 2qsg h ARG 137 Cb 0.19 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 2qsg h ARG 137 CO -0.01 -0.06 -0.08 0.87 -1.07 0.00 0.00 179.97 179.63 2qsg h LYS 138 N -0.09 1.02 -0.48 0.04 1.57 -1.33 -0.63 116.57 116.66 2qsg h LYS 138 Ca 0.26 -0.36 -0.12 0.00 -1.87 0.00 0.00 60.65 58.56 2qsg h LYS 138 Cb 0.50 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 2qsg h LYS 138 CO -0.63 1.04 -0.17 -0.09 -0.57 0.00 0.00 179.45 179.04 2qsg h ARG 139 N 0.92 0.97 -0.46 3.15 2.43 -0.73 -0.41 114.38 120.25 2qsg h ARG 139 Ca 0.15 -0.40 -0.02 0.00 -0.81 0.00 0.00 59.98 58.90 2qsg h ARG 139 Cb 0.63 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.12 2qsg h ARG 139 CO 0.04 1.07 0.21 0.00 -1.51 0.00 0.00 179.97 179.78 2qsg h ARG 140 N 0.82 0.67 -0.34 0.20 3.08 -0.37 0.15 114.38 118.60 2qsg h ARG 140 Ca 0.12 -0.11 0.01 0.00 0.07 0.00 0.00 59.98 60.07 2qsg h ARG 140 Cb 0.74 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.66 2qsg h ARG 140 CO 0.06 0.59 0.20 -0.22 -1.07 0.00 0.00 179.97 179.53 2qsg h LYS 141 N 0.60 0.40 0.06 0.04 3.64 -0.89 0.10 116.57 120.52 2qsg h LYS 141 Ca 0.16 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.51 2qsg h LYS 141 Cb 0.15 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 2qsg h LYS 141 CO -0.02 0.26 -0.03 -0.92 -2.27 0.00 0.00 179.45 176.48 2qsg h TYR 142 N 0.41 -0.07 -0.61 1.91 3.20 -0.96 -2.67 116.97 118.17 2qsg h TYR 142 Ca 0.13 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.05 2qsg h TYR 142 Cb -0.01 0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.24 2qsg h TYR 142 CO -0.07 0.11 0.33 0.35 -1.64 0.00 0.00 178.16 177.24 2qsg h PHE 143 N -0.25 0.61 -0.46 -3.82 3.57 -0.48 0.06 116.94 116.18 2qsg h PHE 143 Ca -0.01 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.60 2qsg h PHE 143 Cb 0.22 -0.19 -0.10 0.00 2.79 0.00 0.00 35.95 38.67 2qsg h PHE 143 CO -0.02 0.30 -0.32 1.25 -2.23 0.00 0.00 178.31 177.29 2qsg h HIS 144 N 0.63 -0.88 -0.02 0.41 2.76 -0.76 0.16 115.15 117.44 2qsg h HIS 144 Ca 0.27 0.06 0.02 0.00 -2.20 0.00 0.00 60.37 58.52 2qsg h HIS 144 Cb 0.16 0.45 -0.02 0.00 1.55 0.00 0.00 27.41 29.55 2qsg h HIS 144 CO -0.09 -0.37 -0.10 0.52 -1.30 0.00 0.00 177.93 176.59 2qsg h MET 145 N -0.21 -0.15 -0.05 5.26 2.86 -0.85 0.14 114.93 121.92 2qsg h MET 145 Ca 0.19 0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.88 2qsg h MET 145 Cb 0.53 0.04 -0.05 0.00 0.06 0.00 0.00 31.60 32.18 2qsg h MET 145 CO -0.58 -0.10 -0.22 1.25 1.06 0.00 0.00 176.91 178.32 2qsg h LEU 146 N -0.16 -0.65 -0.13 1.22 6.46 -0.52 -1.14 115.31 120.40 2qsg h LEU 146 Ca 0.05 0.10 0.02 0.00 -0.12 0.00 0.00 57.88 57.93 2qsg h LEU 146 Cb 0.22 0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 40.41 2qsg h LEU 146 CO -0.12 -0.28 -0.02 0.22 -0.62 0.00 0.00 178.44 177.62 2qsg h TYR 147 N -0.32 -0.05 -0.71 1.25 3.20 -0.58 -2.51 116.97 117.25 2qsg h TYR 147 Ca 0.08 0.01 0.13 0.00 3.14 0.00 0.00 58.73 62.09 2qsg h TYR 147 Cb 0.42 0.04 -0.09 0.00 1.54 0.00 0.00 36.73 38.64 2qsg h TYR 147 CO -0.28 -0.05 0.25 1.25 -1.64 0.00 0.00 178.16 177.70 2qsg h LEU 148 N 0.01 0.21 -0.56 2.82 6.46 -0.28 -1.36 115.31 122.62 2qsg h LEU 148 Ca 0.06 0.11 -0.02 0.00 -0.12 0.00 0.00 57.88 57.91 2qsg h LEU 148 Cb 0.09 0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 40.09 2qsg h LEU 148 CO -0.12 0.08 0.27 0.58 -0.62 0.00 0.00 178.44 178.63 2qsg h VAL 149 N 0.40 1.20 -0.51 1.05 2.07 -0.82 -0.67 116.25 118.97 2qsg h VAL 149 Ca 0.38 -0.57 -0.04 0.00 0.82 0.00 0.00 66.70 67.30 2qsg h VAL 149 Cb 0.57 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 2qsg h VAL 149 CO -0.40 0.23 0.17 0.00 0.02 0.00 0.00 177.57 177.60 2qsg h LEU 151 N 0.68 -0.37 -0.83 0.00 3.38 -1.00 0.23 115.31 117.41 2qsg h LEU 151 Ca 0.17 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 2qsg h LEU 151 Cb 0.25 0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 2qsg h LEU 151 CO -0.01 -0.20 0.51 0.24 0.09 0.00 0.00 178.44 179.07 2qsg h MET 152 N -0.26 1.12 -0.43 1.13 2.86 -0.85 0.03 114.93 118.54 2qsg h MET 152 Ca 0.02 -0.10 -0.06 0.00 -2.06 0.00 0.00 59.70 57.51 2qsg h MET 152 Cb 0.28 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 2qsg h MET 152 CO -0.08 0.78 0.01 0.28 1.06 0.00 0.00 176.91 178.96 2qsg h VAL 153 N 1.14 1.22 -0.38 -2.22 2.07 -0.61 -0.75 116.25 116.72 2qsg h VAL 153 Ca 0.30 -0.90 0.01 0.00 0.82 0.00 0.00 66.70 66.93 2qsg h VAL 153 Cb -0.06 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 2qsg h VAL 153 CO -0.06 0.31 0.24 -0.74 0.02 0.00 0.00 177.57 177.35 2qsg h HIS 154 N 0.65 0.46 -0.50 1.57 6.17 0.13 -1.07 115.15 122.55 2qsg h HIS 154 Ca 0.13 0.01 0.04 0.00 0.71 0.00 0.00 60.37 61.26 2qsg h HIS 154 Cb 0.38 -0.15 -0.04 0.00 2.52 0.00 0.00 27.41 30.12 2qsg h HIS 154 CO 0.02 0.28 0.27 0.78 0.71 0.00 0.00 177.93 179.99 2qsg h GLY 155 N 0.50 0.69 0.94 5.26 0.00 -0.68 0.44 103.07 110.22 2qsg h GLY 155 Ca 0.15 -0.19 0.02 0.00 0.00 0.00 0.00 47.33 47.30 2qsg h GLY 155 CO -0.05 0.14 0.43 -2.75 0.00 0.00 0.00 176.54 174.31 2qsg h PHE 156 N 0.52 0.81 -0.27 5.60 3.57 -0.70 0.68 116.94 127.15 2qsg h PHE 156 Ca 0.21 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.60 2qsg h PHE 156 Cb 0.09 -0.27 -0.00 0.00 2.79 0.00 0.00 35.95 38.56 2qsg h PHE 156 CO -0.09 0.49 -0.35 0.82 -2.23 0.00 0.00 178.31 176.95 2qsg h ILE 157 N 0.86 1.30 -0.93 1.41 2.04 -0.98 -2.79 117.51 118.42 2qsg h ILE 157 Ca 0.26 -1.53 -0.00 0.00 1.00 0.00 0.00 64.86 64.58 2qsg h ILE 157 Cb -0.04 1.64 -0.05 0.00 -0.74 0.00 0.00 36.82 37.63 2qsg h ILE 157 CO -0.08 0.49 0.58 -0.09 0.00 0.00 0.00 178.15 179.05 2qsg h ARG 158 N 0.45 1.24 -0.87 2.37 9.65 -0.63 -1.69 114.38 124.91 2qsg h ARG 158 Ca 0.03 -0.10 0.07 0.00 -1.10 0.00 0.00 59.98 58.88 2qsg h ARG 158 Cb 0.93 -0.27 -0.06 0.00 -1.39 0.00 0.00 29.97 29.18 2qsg h ARG 158 CO 0.08 0.85 0.54 -0.97 2.80 0.00 0.00 179.97 183.28 2qsg h ASN 159 N 1.27 0.85 0.24 -3.80 -0.73 -0.80 -1.65 115.58 110.95 2qsg h ASN 159 Ca 0.34 0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.53 2qsg h ASN 159 Cb -0.09 -0.16 -0.02 0.00 0.27 0.00 0.00 38.32 38.32 2qsg h ASN 159 CO -0.07 0.54 -0.26 -0.33 -0.37 0.00 0.00 177.43 176.93 2qsg h GLU 160 N 0.98 -0.53 -0.79 6.67 5.08 -1.06 -3.00 114.58 121.93 2qsg h GLU 160 Ca 0.38 0.04 0.13 0.00 -1.00 0.00 0.00 59.36 58.91 2qsg h GLU 160 Cb 0.19 0.12 -0.09 0.00 0.50 0.00 0.00 28.75 29.47 2qsg h GLU 160 CO -0.18 -0.35 0.39 -1.49 -1.00 0.00 0.00 179.01 176.38 2qsg h TRP 161 N -0.55 0.69 -0.52 4.33 4.06 -0.72 -0.14 115.95 123.10 2qsg h TRP 161 Ca -0.00 0.03 0.10 0.00 2.06 0.00 0.00 58.89 61.09 2qsg h TRP 161 Cb 0.52 -0.19 -0.09 0.00 -1.00 0.00 0.00 29.16 28.40 2qsg h TRP 161 CO -0.18 0.18 -0.06 0.82 -3.56 0.00 0.00 178.44 175.64 2qsg h ILE 162 N 0.59 0.53 0.00 1.49 2.04 -1.21 -0.53 117.51 120.43 2qsg h ILE 162 Ca 0.42 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 66.26 2qsg h ILE 162 Cb 0.55 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 37.10 2qsg h ILE 162 CO -0.34 0.01 0.00 0.59 0.00 0.00 0.00 178.15 178.41 2qsg n ASN 163 N -5.31 0.00 -4.68 1.72 4.13 -0.07 -4.73 115.26 106.32 2qsg n ASN 163 Ca 0.06 -0.05 -0.44 0.00 1.68 0.00 0.00 54.58 55.82 2qsg n ASN 163 Cb 0.28 0.00 -0.04 0.00 -1.54 0.00 0.00 39.78 38.49 2qsg n ASN 163 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 2qsg n SER 164 N -0.91 3.84 -0.13 6.41 2.88 -0.21 -4.88 113.62 120.62 2qsg n SER 164 Ca 0.01 0.98 -0.11 0.00 -1.33 0.00 0.00 58.87 58.42 2qsg n SER 164 Cb 0.00 -1.50 -0.02 0.00 -0.75 0.00 0.00 64.21 61.95 2qsg n SER 164 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 2qsg h LYS 165 N 8.68 0.70 -0.65 -1.46 1.63 -1.89 0.25 116.57 123.83 2qsg h LYS 165 Ca -0.47 -0.26 0.05 0.00 -0.85 0.00 0.00 60.65 59.12 2qsg h LYS 165 Cb 1.24 -0.04 -0.05 0.00 -0.60 0.00 0.00 32.23 32.77 2qsg h LYS 165 CO 0.94 0.85 0.36 0.00 -3.45 0.00 0.00 179.45 178.15 2qsg h ARG 166 N 0.50 0.66 -0.27 1.90 -0.00 -1.99 -2.45 114.38 112.73 2qsg h ARG 166 Ca 0.10 -0.04 -0.06 0.00 -0.50 0.00 0.00 59.98 59.48 2qsg h ARG 166 Cb 0.58 -0.15 -0.01 0.00 0.00 0.00 0.00 29.97 30.39 2qsg h ARG 166 CO 0.03 0.44 -0.06 1.25 0.00 0.00 0.00 179.97 181.63 2qsg h LEU 167 N 0.68 0.53 -0.15 3.04 6.46 -1.87 -3.27 115.31 120.73 2qsg h LEU 167 Ca 0.29 -0.36 0.05 0.00 -0.12 0.00 0.00 57.88 57.73 2qsg h LEU 167 Cb 0.16 -0.14 -0.07 0.00 -0.73 0.00 0.00 40.66 39.88 2qsg h LEU 167 CO -0.17 0.77 -0.36 -1.28 -0.62 0.00 0.00 178.44 176.78 2qsg h SER 168 N 0.28 -1.12 0.39 1.25 0.87 -0.14 -1.46 113.55 113.61 2qsg h SER 168 Ca 0.07 0.16 -0.00 0.00 -1.23 0.00 0.00 61.79 60.79 2qsg h SER 168 Cb 0.54 0.47 -0.00 0.00 -0.44 0.00 0.00 62.40 62.97 2qsg h SER 168 CO 0.03 -0.38 -0.01 0.08 -0.53 0.00 0.00 176.83 176.01 2qsg h ARG 169 N -0.42 0.00 0.11 2.24 0.11 -1.52 -1.37 114.38 113.53 2qsg h ARG 169 Ca 0.09 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.17 2qsg h ARG 169 Cb 0.58 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.66 2qsg h ARG 169 CO -0.38 0.01 -0.05 -0.22 0.10 0.00 0.00 179.97 179.42 2qsg h LYS 170 N 0.00 -0.14 -0.25 0.08 3.64 -1.34 -3.35 116.57 115.21 2qsg h LYS 170 Ca -0.00 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.41 2qsg h LYS 170 Cb 0.20 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 2qsg h LYS 170 CO 0.00 0.08 0.17 -0.07 -2.27 0.00 0.00 179.45 177.36 2qsg h LEU 171 N -1.01 0.20 -1.01 5.20 3.38 -1.12 -2.47 115.31 118.47 2qsg h LEU 171 Ca -0.02 -0.00 0.21 0.00 0.09 0.00 0.00 57.88 58.16 2qsg h LEU 171 Cb 0.29 -0.05 -0.11 0.00 0.09 0.00 0.00 40.66 40.88 2qsg h LEU 171 CO 0.02 0.14 0.61 -1.28 0.09 0.00 0.00 178.44 178.02 2qsg h SER 172 N 0.23 0.76 0.24 -0.43 0.87 -1.39 0.58 113.55 114.41 2qsg h SER 172 Ca 0.10 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.77 2qsg h SER 172 Cb 0.12 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 2qsg h SER 172 CO -0.02 0.23 0.00 0.59 -0.53 0.00 0.00 176.83 177.10 2qsg n ASN 173 N -4.80 0.29 0.00 6.23 5.03 -0.93 -2.47 115.26 118.61 2qsg n ASN 173 Ca 0.24 0.61 0.13 0.00 0.87 0.00 0.00 54.58 56.43 2qsg n ASN 173 Cb 0.62 -0.66 0.59 0.00 -1.02 0.00 0.00 39.78 39.31 2qsg n ASN 173 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 2qsg n LEU 174 N -1.86 0.00 -4.18 3.41 4.77 0.19 -4.74 117.00 114.59 2qsg n LEU 174 Ca 0.01 0.47 -0.34 0.00 -0.03 0.00 0.00 56.01 56.11 2qsg n LEU 174 Cb 0.09 -0.47 -0.14 0.00 -2.33 0.00 0.00 43.42 40.57 2qsg n LEU 174 CO 0.09 -0.04 -0.40 -0.69 -1.33 0.00 0.00 177.39 175.03 2qsg s VAL 175 N -2.93 2.83 0.88 4.08 1.01 -1.03 -5.02 120.40 120.22 2qsg s VAL 175 Ca 0.15 -1.17 -0.11 0.00 0.00 0.00 0.00 61.98 60.85 2qsg s VAL 175 Cb 0.18 -2.51 0.13 0.00 0.00 0.00 0.00 36.38 34.18 2qsg s VAL 175 CO 0.48 0.10 1.15 -2.84 0.00 0.00 0.00 175.10 173.99 2qsg s PRO 176 N 1.29 1.21 0.11 2.72 0.02 -1.26 -4.74 135.00 134.35 2qsg s PRO 176 Ca -0.02 1.57 -0.27 0.00 0.02 0.00 0.00 61.00 62.30 2qsg s PRO 176 Cb -0.18 -1.75 -0.08 0.00 0.02 0.00 0.00 34.50 32.52 2qsg s PRO 176 CO -0.04 -2.49 1.63 1.49 -0.33 0.00 0.00 177.00 177.26 2qsg h GLU 177 N -1.64 -0.45 -0.93 5.54 4.81 -1.98 -0.38 114.58 119.53 2qsg h GLU 177 Ca -0.44 0.03 0.13 0.00 -0.13 0.00 0.00 59.36 58.95 2qsg h GLU 177 Cb 1.27 0.10 -0.14 0.00 0.63 0.00 0.00 28.75 30.61 2qsg h GLU 177 CO 0.43 -0.30 -0.45 0.87 -0.73 0.00 0.00 179.01 178.83 2qsg h LYS 178 N -0.47 -0.03 -0.69 1.92 1.79 -1.99 0.58 116.57 117.67 2qsg h LYS 178 Ca 0.04 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.47 2qsg h LYS 178 Cb 0.51 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 31.13 2qsg h LYS 178 CO -0.17 -0.02 0.29 0.28 -1.08 0.00 0.00 179.45 178.74 2qsg h VAL 179 N -0.03 1.24 -0.97 0.50 2.07 -1.82 -2.05 116.25 115.19 2qsg h VAL 179 Ca 0.27 -0.75 0.03 0.00 0.82 0.00 0.00 66.70 67.07 2qsg h VAL 179 Cb 0.54 0.44 -0.05 0.00 -1.52 0.00 0.00 31.29 30.70 2qsg h VAL 179 CO -0.93 0.30 0.63 0.15 0.02 0.00 0.00 177.57 177.74 2qsg h PHE 180 N 0.98 1.19 -0.23 1.57 3.57 0.28 -1.76 116.94 122.55 2qsg h PHE 180 Ca 0.23 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.69 2qsg h PHE 180 Cb 0.20 -0.40 -0.01 0.00 2.79 0.00 0.00 35.95 38.52 2qsg h PHE 180 CO 0.01 0.71 -0.16 0.93 -2.23 0.00 0.00 178.31 177.57 2qsg h GLU 181 N 1.25 0.39 0.00 1.11 4.39 -0.40 -2.41 114.58 118.91 2qsg h GLU 181 Ca 0.37 -0.11 -0.07 0.00 0.34 0.00 0.00 59.36 59.89 2qsg h GLU 181 Cb -0.05 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 2qsg h GLU 181 CO -0.11 0.54 -0.35 -0.07 -1.16 0.00 0.00 179.01 177.87 2qsg h LEU 182 N 0.36 0.00 -0.72 1.33 3.38 -0.67 -2.74 115.31 116.25 2qsg h LEU 182 Ca 0.07 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 2qsg h LEU 182 Cb 0.49 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2qsg h LEU 182 CO 0.03 0.35 -0.32 -0.07 0.09 0.00 0.00 178.44 178.52 2qsg h LEU 183 N 0.00 0.00 -6.51 1.67 3.38 -0.89 -3.27 115.31 109.68 2qsg h LEU 183 Ca -0.00 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.37 2qsg h LEU 183 Cb 0.77 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.11 2qsg h LEU 183 CO 0.05 0.32 -0.72 1.41 0.09 0.00 0.00 178.44 179.58 2qsg n HIS 184 N -3.35 2.23 -2.41 1.13 8.25 -1.04 -4.92 115.22 115.10 2qsg n HIS 184 Ca 0.01 -4.00 -0.34 0.00 -0.26 0.00 0.00 57.72 53.13 2qsg n HIS 184 Cb 0.53 -0.43 -0.02 0.00 1.12 0.00 0.00 29.99 31.20 2qsg n HIS 184 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2qsg s PRO 185 N -1.54 3.64 0.47 -0.41 0.04 -1.19 -4.86 135.00 131.15 2qsg s PRO 185 Ca 0.33 1.39 -0.25 0.00 0.04 0.00 0.00 61.00 62.51 2qsg s PRO 185 Cb 0.07 -2.07 -0.08 0.00 0.04 0.00 0.00 34.50 32.46 2qsg s PRO 185 CO -0.11 -0.57 1.43 -1.14 0.04 0.00 0.00 177.00 176.65 2qsg s GLN 186 N -3.36 3.59 0.18 4.56 2.00 -1.26 -4.94 119.66 120.43 2qsg s GLN 186 Ca 0.68 2.42 -0.32 0.00 -2.00 0.00 0.00 55.36 56.14 2qsg s GLN 186 Cb -0.18 -2.60 -0.11 0.00 0.80 0.00 0.00 33.01 30.93 2qsg s GLN 186 CO 0.24 -0.89 1.61 0.21 -0.50 0.00 0.00 175.29 175.95 2qsg s LYS 187 N -2.52 4.19 -0.26 1.67 2.47 -1.26 -4.86 119.74 119.16 2qsg s LYS 187 Ca 0.63 2.43 -0.07 0.00 -1.56 0.00 0.00 55.97 57.39 2qsg s LYS 187 Cb -0.44 -3.13 -0.02 0.00 -1.46 0.00 0.00 37.83 32.78 2qsg s LYS 187 CO 0.56 -0.65 0.08 0.34 0.16 0.00 0.00 175.35 175.84 2qsg s ASP 188 N 1.13 5.15 -0.03 1.43 -1.08 -1.26 -5.02 116.67 116.99 2qsg s ASP 188 Ca 0.71 -0.34 -0.13 0.00 -0.52 0.00 0.00 52.55 52.27 2qsg s ASP 188 Cb -0.45 -1.92 -0.07 0.00 -1.46 0.00 0.00 42.92 39.02 2qsg s ASP 188 CO 0.32 -0.08 0.60 -0.33 0.52 0.00 0.00 175.17 176.20 2qsg h GLU 189 N 8.25 -0.44 -0.13 4.34 4.39 -1.98 -3.17 114.58 125.84 2qsg h GLU 189 Ca -0.37 0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.35 2qsg h GLU 189 Cb 1.16 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.90 2qsg h GLU 189 CO 0.59 -0.29 -0.01 1.49 -1.16 0.00 0.00 179.01 179.63 2qsg h GLU 190 N -0.92 0.18 -1.63 2.33 4.81 -2.05 -3.37 114.58 113.92 2qsg h GLU 190 Ca -0.05 -0.02 -0.29 0.00 -0.13 0.00 0.00 59.36 58.87 2qsg h GLU 190 Cb 0.35 -0.03 -0.27 0.00 0.63 0.00 0.00 28.75 29.43 2qsg h GLU 190 CO 0.08 0.21 -0.63 -1.17 -0.73 0.00 0.00 179.01 176.76 2qsg s LEU 191 N -9.01 -0.45 0.61 1.64 2.96 -1.26 -5.00 118.68 108.18 2qsg s LEU 191 Ca -0.06 -1.59 0.32 0.00 -0.22 0.00 0.00 54.13 52.59 2qsg s LEU 191 Cb 0.16 0.98 1.82 0.00 0.50 0.00 0.00 46.19 49.65 2qsg s LEU 191 CO 0.70 -0.20 2.14 -0.65 -1.32 0.00 0.00 176.35 177.03 2qsg h PRO 192 N 6.58 0.00 -0.97 0.98 0.11 -1.73 -1.61 132.00 135.36 2qsg h PRO 192 Ca 0.08 0.00 0.14 0.00 0.11 0.00 0.00 66.00 66.32 2qsg h PRO 192 Cb 1.08 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.10 2qsg h PRO 192 CO 0.16 0.00 0.61 1.25 -0.21 0.00 0.00 178.00 179.82 2qsg h LEU 193 N 0.00 0.83 -2.14 2.35 5.85 -1.91 -0.92 115.31 119.37 2qsg h LEU 193 Ca 0.05 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 2qsg h LEU 193 Cb 0.37 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.29 2qsg h LEU 193 CO -0.00 0.42 -0.06 0.03 -0.34 0.00 0.00 178.44 178.49 2qsg h ARG 194 N 0.88 0.00 0.02 1.25 3.08 -1.68 -0.13 114.38 117.78 2qsg h ARG 194 Ca 0.50 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.50 2qsg h ARG 194 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.67 2qsg h ARG 194 CO -0.27 0.06 -0.18 0.77 -1.07 0.00 0.00 179.97 179.28 2qsg h SER 195 N 0.00 0.13 -0.68 7.04 0.02 -1.33 -2.66 113.55 116.07 2qsg h SER 195 Ca -0.00 -0.87 0.15 0.00 -0.84 0.00 0.00 61.79 60.22 2qsg h SER 195 Cb 0.13 -0.04 -0.12 0.00 0.14 0.00 0.00 62.40 62.50 2qsg h SER 195 CO 0.01 0.99 -0.05 0.74 -1.14 0.00 0.00 176.83 177.38 2qsg h THR 196 N -0.71 0.39 -0.18 -2.27 2.02 -1.08 0.12 112.91 111.21 2qsg h THR 196 Ca -0.03 -0.03 0.05 0.00 0.77 0.00 0.00 66.41 67.18 2qsg h THR 196 Cb 1.03 0.31 -0.07 0.00 -1.74 0.00 0.00 68.15 67.68 2qsg h THR 196 CO 0.03 0.01 -0.33 -0.09 0.37 0.00 0.00 175.52 175.52 2qsg h ARG 197 N 0.08 -0.36 -0.73 6.66 1.12 -1.05 0.98 114.38 121.08 2qsg h ARG 197 Ca 0.35 0.02 0.01 0.00 -1.11 0.00 0.00 59.98 59.26 2qsg h ARG 197 Cb 0.59 0.08 -0.04 0.00 -0.01 0.00 0.00 29.97 30.59 2qsg h ARG 197 CO -0.62 -0.24 0.48 0.87 -3.11 0.00 0.00 179.97 177.35 2qsg h LYS 198 N -0.37 0.95 0.43 0.20 1.57 -0.86 -0.85 116.57 117.63 2qsg h LYS 198 Ca 0.11 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 2qsg h LYS 198 Cb 0.55 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 2qsg h LYS 198 CO -0.39 0.63 -0.25 1.25 -0.57 0.00 0.00 179.45 180.12 2qsg h LEU 199 N 0.98 -0.63 -1.16 2.94 6.46 0.20 -2.28 115.31 121.82 2qsg h LEU 199 Ca 0.27 0.04 0.14 0.00 -0.12 0.00 0.00 57.88 58.20 2qsg h LEU 199 Cb -0.11 0.18 -0.08 0.00 -0.73 0.00 0.00 40.66 39.93 2qsg h LEU 199 CO -0.06 -0.40 0.60 -0.07 -0.62 0.00 0.00 178.44 177.89 2qsg h LEU 200 N -0.64 0.77 0.09 2.25 3.38 -0.15 -1.41 115.31 119.59 2qsg h LEU 200 Ca -0.05 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 2qsg h LEU 200 Cb 0.52 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2qsg h LEU 200 CO 0.06 0.39 -0.04 -0.78 0.09 0.00 0.00 178.44 178.15 2qsg h ASP 201 N 0.81 -0.10 -0.54 -0.43 3.58 -0.92 0.33 116.42 119.16 2qsg h ASP 201 Ca 0.47 -0.03 0.05 0.00 0.42 0.00 0.00 57.03 57.94 2qsg h ASP 201 Cb 0.64 0.03 -0.05 0.00 1.72 0.00 0.00 39.33 41.67 2qsg h ASP 201 CO -0.24 -0.03 0.27 1.23 -2.88 0.00 0.00 179.24 177.59 2qsg h GLY 202 N -0.16 0.76 0.58 -0.78 0.00 -0.75 -0.82 103.07 101.89 2qsg h GLY 202 Ca -0.01 -0.18 0.05 0.00 0.00 0.00 0.00 47.33 47.19 2qsg h GLY 202 CO 0.02 0.10 0.02 1.41 0.00 0.00 0.00 176.54 178.10 2qsg h LEU 203 N 0.51 -0.07 -0.57 3.11 3.38 -1.02 0.47 115.31 121.12 2qsg h LEU 203 Ca 0.24 0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.31 2qsg h LEU 203 Cb 0.16 0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 2qsg h LEU 203 CO -0.18 -0.00 0.32 0.50 0.09 0.00 0.00 178.44 179.17 2qsg h LYS 204 N 0.12 0.60 -0.20 1.13 3.64 -0.23 0.03 116.57 121.66 2qsg h LYS 204 Ca 0.14 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.42 2qsg h LYS 204 Cb 0.17 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 2qsg h LYS 204 CO -0.22 0.40 -0.18 0.87 -2.27 0.00 0.00 179.45 178.05 2qsg h LYS 205 N 0.62 0.33 -0.48 1.90 1.57 -0.74 -1.94 116.57 117.83 2qsg h LYS 205 Ca 0.24 -0.10 -0.11 0.00 -1.87 0.00 0.00 60.65 58.82 2qsg h LYS 205 Cb 0.10 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 2qsg h LYS 205 CO -0.14 0.51 -0.13 0.00 -0.57 0.00 0.00 179.45 179.13 2qsg h MET 207 N 0.81 1.20 0.16 0.00 1.85 -0.33 -2.23 114.93 116.39 2qsg h MET 207 Ca 0.13 -0.07 -0.01 0.00 -0.61 0.00 0.00 59.70 59.14 2qsg h MET 207 Cb 0.66 -0.27 0.00 0.00 0.43 0.00 0.00 31.60 32.42 2qsg h MET 207 CO 0.05 0.79 -0.08 0.93 -0.40 0.00 0.00 176.91 178.20 2qsg h GLU 208 N 1.23 -0.21 0.00 0.39 5.08 -0.99 -2.65 114.58 117.43 2qsg h GLU 208 Ca 0.35 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.73 2qsg h GLU 208 Cb -0.09 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 2qsg h GLU 208 CO -0.09 0.23 -0.00 1.37 -1.00 0.00 0.00 179.01 179.52 2qsg h LEU 209 N -0.81 0.00 -0.14 1.33 8.10 -1.37 -1.81 115.31 120.61 2qsg h LEU 209 Ca -0.02 0.00 -0.11 0.00 0.11 0.00 0.00 57.88 57.86 2qsg h LEU 209 Cb 0.53 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.75 2qsg h LEU 209 CO 0.04 0.00 -0.35 -0.25 -4.11 0.00 0.00 178.44 173.77 2qsg h TRP 210 N 0.00 0.63 -0.85 0.17 2.91 -1.35 0.15 115.95 117.61 2qsg h TRP 210 Ca -0.00 -0.24 0.14 0.00 1.13 0.00 0.00 58.89 59.92 2qsg h TRP 210 Cb 0.24 -0.11 -0.06 0.00 -0.51 0.00 0.00 29.16 28.72 2qsg h TRP 210 CO 0.00 0.97 0.55 1.96 -1.03 0.00 0.00 178.44 180.90 2qsg h GLN 211 N 0.10 0.62 -0.19 2.65 1.08 -0.98 0.28 115.11 118.66 2qsg h GLN 211 Ca -0.00 -0.04 -0.16 0.00 -1.45 0.00 0.00 58.65 57.00 2qsg h GLN 211 Cb 0.96 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 28.26 2qsg h GLN 211 CO 0.08 0.41 -0.49 -0.22 -0.95 0.00 0.00 178.83 177.66 2qsg h LYS 212 N 0.64 0.68 -0.25 1.46 1.63 -1.19 -3.29 116.57 116.24 2qsg h LYS 212 Ca 0.42 -0.47 -0.06 0.00 -0.85 0.00 0.00 60.65 59.70 2qsg h LYS 212 Cb 0.72 0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.41 2qsg h LYS 212 CO -0.18 1.09 -0.06 1.25 -3.45 0.00 0.00 179.45 178.10 2qsg h HIS 213 N 0.37 0.55 -1.13 1.91 2.76 0.34 -3.38 115.15 116.56 2qsg h HIS 213 Ca -0.01 -0.12 -0.45 0.00 -2.20 0.00 0.00 60.37 57.60 2qsg h HIS 213 Cb 1.10 -0.13 -0.07 0.00 1.55 0.00 0.00 27.41 29.86 2qsg h HIS 213 CO 0.09 0.70 1.10 -0.46 -1.30 0.00 0.00 177.93 178.06 2qsg s TRP 214 N -4.77 2.09 -0.57 5.26 -0.11 0.89 -4.54 118.94 117.19 2qsg s TRP 214 Ca -0.13 0.07 0.24 0.00 1.22 0.00 0.00 56.10 57.50 2qsg s TRP 214 Cb 0.07 -4.33 0.51 0.00 -1.50 0.00 0.00 33.47 28.22 2qsg s TRP 214 CO 0.76 -1.90 1.60 0.87 -4.62 0.00 0.00 176.95 173.66 2qsg h LYS 215 N 11.05 0.00 -3.39 5.86 1.57 -1.71 -3.44 116.57 126.50 2qsg h LYS 215 Ca 0.06 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.49 2qsg h LYS 215 Cb 1.03 0.00 -0.37 0.00 0.08 0.00 0.00 32.23 32.96 2qsg h LYS 215 CO 1.30 0.00 -0.74 0.42 -0.57 0.00 0.00 179.45 179.86 2qsg s ILE 216 N -3.17 -0.08 -0.10 1.86 -1.09 -1.00 -5.08 121.20 112.55 2qsg s ILE 216 Ca 0.08 0.35 -0.02 0.00 -2.23 0.00 0.00 60.65 58.83 2qsg s ILE 216 Cb 0.10 -0.14 -0.03 0.00 -1.58 0.00 0.00 42.46 40.81 2qsg s ILE 216 CO 0.66 0.15 -0.03 -0.89 -1.23 0.00 0.00 174.94 173.60 2qsg s THR 217 N 1.80 4.07 0.23 2.92 2.01 -1.26 -2.94 115.64 122.47 2qsg s THR 217 Ca 0.00 -0.33 0.07 0.00 0.31 0.00 0.00 61.69 61.74 2qsg s THR 217 Cb -0.12 -2.71 -0.04 0.00 0.01 0.00 0.00 72.50 69.64 2qsg s THR 217 CO -0.03 0.58 0.18 -0.54 -0.69 0.00 0.00 174.62 174.12 2qsg s LYS 218 N -0.59 2.92 0.60 4.92 1.02 -1.18 -4.97 119.74 122.46 2qsg s LYS 218 Ca 0.09 -1.01 -0.17 0.00 0.02 0.00 0.00 55.97 54.90 2qsg s LYS 218 Cb -0.12 -2.58 -0.03 0.00 -0.52 0.00 0.00 37.83 34.58 2qsg s LYS 218 CO 0.02 0.42 1.10 0.15 -0.92 0.00 0.00 175.35 176.12 2qsg s LYS 219 N -3.68 3.14 0.52 1.68 -0.14 -1.26 -4.32 119.74 115.67 2qsg s LYS 219 Ca 0.32 1.43 -0.22 0.00 -1.36 0.00 0.00 55.97 56.14 2qsg s LYS 219 Cb -0.08 -1.99 -0.06 0.00 -1.68 0.00 0.00 37.83 34.02 2qsg s LYS 219 CO 0.25 -0.99 1.27 0.71 -0.76 0.00 0.00 175.35 175.83 2qsg s TYR 220 N -2.15 2.51 -0.05 3.18 1.51 -1.26 -4.90 117.35 116.19 2qsg s TYR 220 Ca 0.68 1.45 -0.24 0.00 -1.01 0.00 0.00 57.07 57.95 2qsg s TYR 220 Cb -0.20 -3.62 -0.19 0.00 -0.11 0.00 0.00 41.96 37.84 2qsg s TYR 220 CO 0.34 -2.33 1.03 -0.44 -1.11 0.00 0.00 175.55 173.04 2qsg h ASP 221 N 1.63 -0.09 -1.51 2.29 3.45 -1.96 -3.44 116.42 116.79 2qsg h ASP 221 Ca -0.50 -0.49 -0.28 0.00 0.43 0.00 0.00 57.03 56.19 2qsg h ASP 221 Cb 1.28 0.02 -0.25 0.00 -0.56 0.00 0.00 39.33 39.83 2qsg h ASP 221 CO 0.58 0.49 -0.63 0.20 -1.57 0.00 0.00 179.24 178.31 2qsg s ASN 222 N -5.65 -0.26 0.00 6.45 0.01 -1.26 -4.94 114.94 109.29 2qsg s ASN 222 Ca -0.15 -1.85 0.00 0.00 -0.71 0.00 0.00 52.86 50.15 2qsg s ASN 222 Cb 0.00 1.10 0.00 0.00 0.41 0.00 0.00 41.25 42.77 2qsg s ASN 222 CO 0.59 -0.14 0.00 -0.62 -1.51 0.00 0.00 177.10 175.42 2qsg n GLU 223 N 3.43 -1.05 0.00 -0.60 4.71 -1.26 -4.85 120.64 121.01 2qsg n GLU 223 Ca 0.18 0.26 0.00 0.00 -0.01 0.00 0.00 57.16 57.59 2qsg n GLU 223 Cb 0.52 -4.07 0.00 0.00 -1.01 0.00 0.00 31.44 26.88 2qsg n GLU 223 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2qsg n GLY 224 N -0.87 2.34 0.63 0.62 0.00 -1.26 -0.17 105.19 106.47 2qsg n GLY 224 Ca 0.00 0.35 0.07 0.00 0.00 0.00 0.00 46.02 46.44 2qsg n GLY 224 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qsg n LEU 225 N 0.00 3.21 -4.76 0.99 4.77 -1.26 -5.03 117.00 114.91 2qsg n LEU 225 Ca 0.00 -2.59 -0.33 0.00 -0.03 0.00 0.00 56.01 53.06 2qsg n LEU 225 Cb 0.00 -0.37 0.06 0.00 -2.33 0.00 0.00 43.42 40.77 2qsg n LEU 225 CO 0.00 0.68 0.74 -0.31 -1.33 0.00 0.00 177.39 177.17 2qsg s TYR 226 N -2.05 2.54 0.11 -1.77 1.51 0.76 -4.27 117.35 114.18 2qsg s TYR 226 Ca 0.31 1.56 -0.32 0.00 -1.01 0.00 0.00 57.07 57.61 2qsg s TYR 226 Cb 0.23 -3.20 -0.11 0.00 -0.11 0.00 0.00 41.96 38.77 2qsg s TYR 226 CO 0.10 -1.81 1.81 -0.12 -1.11 0.00 0.00 175.55 174.41 2qsg n MET 227 N -2.54 2.65 -3.32 -0.62 0.00 -0.48 -4.98 117.12 107.84 2qsg n MET 227 Ca 0.11 0.96 -0.32 0.00 -0.00 0.00 0.00 57.70 58.45 2qsg n MET 227 Cb 0.52 -2.84 -0.06 0.00 0.00 0.00 0.00 33.22 30.85 2qsg n MET 227 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 2qsg s ARG 228 N 2.60 3.86 0.45 2.12 0.52 -1.26 -4.68 118.95 122.56 2qsg s ARG 228 Ca 0.82 0.40 -0.09 0.00 -0.52 0.00 0.00 55.73 56.35 2qsg s ARG 228 Cb -0.53 -2.57 -0.05 0.00 0.52 0.00 0.00 34.95 32.32 2qsg s ARG 228 CO 0.39 0.26 0.81 0.95 0.02 0.00 0.00 175.30 177.72 2qsg s THR 229 N -1.89 4.81 0.14 0.02 -4.23 -1.26 -4.48 115.64 108.75 2qsg s THR 229 Ca 0.50 0.53 -0.18 0.00 -1.18 0.00 0.00 61.69 61.35 2qsg s THR 229 Cb -0.11 -3.79 -0.01 0.00 1.34 0.00 0.00 72.50 69.94 2qsg s THR 229 CO 0.20 -0.69 1.73 -0.50 -0.54 0.00 0.00 174.62 174.82 2qsg h TRP 230 N 0.77 0.06 -1.00 3.99 4.06 -1.96 -0.65 115.95 121.22 2qsg h TRP 230 Ca -0.47 0.02 0.18 0.00 2.06 0.00 0.00 58.89 60.68 2qsg h TRP 230 Cb 1.19 0.01 -0.10 0.00 -1.00 0.00 0.00 29.16 29.27 2qsg h TRP 230 CO 0.60 0.00 0.62 -0.22 -3.56 0.00 0.00 178.44 175.88 2qsg h LYS 231 N 0.13 0.76 -0.51 0.49 1.63 -1.92 0.11 116.57 117.27 2qsg h LYS 231 Ca 0.13 -0.05 -0.09 0.00 -0.85 0.00 0.00 60.65 59.79 2qsg h LYS 231 Cb 0.14 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 31.58 2qsg h LYS 231 CO -0.18 0.50 -0.06 0.93 -3.45 0.00 0.00 179.45 177.19 2qsg h GLU 232 N 0.78 0.91 -0.07 1.90 5.08 -1.53 -2.37 114.58 119.29 2qsg h GLU 232 Ca 0.55 -0.29 -0.08 0.00 -1.00 0.00 0.00 59.36 58.54 2qsg h GLU 232 Cb 0.84 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.01 2qsg h GLU 232 CO -0.34 0.94 -0.26 0.82 -1.00 0.00 0.00 179.01 179.17 2qsg h ILE 233 N 0.83 1.43 -0.52 3.13 2.04 -0.05 -1.17 117.51 123.19 2qsg h ILE 233 Ca 0.14 -1.66 0.09 0.00 1.00 0.00 0.00 64.86 64.44 2qsg h ILE 233 Cb 0.57 2.32 -0.08 0.00 -0.74 0.00 0.00 36.82 38.89 2qsg h ILE 233 CO 0.03 0.47 0.08 -0.08 0.00 0.00 0.00 178.15 178.66 2qsg h GLU 234 N -0.21 0.20 0.00 2.37 4.81 -0.82 -2.00 114.58 118.94 2qsg h GLU 234 Ca -0.01 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.11 2qsg h GLU 234 Cb 0.90 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.22 2qsg h GLU 234 CO 0.05 0.13 -0.46 0.52 -0.73 0.00 0.00 179.01 178.53 2qsg h MET 235 N 0.21 0.00 -0.28 1.92 2.86 -1.45 -3.33 114.93 114.86 2qsg h MET 235 Ca 0.26 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.92 2qsg h MET 235 Cb 0.38 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 2qsg h MET 235 CO -0.37 0.46 0.16 0.66 1.06 0.00 0.00 176.91 178.88 2qsg h SER 236 N 0.00 0.25 -0.23 1.22 4.64 -0.42 -2.68 113.55 116.33 2qsg h SER 236 Ca -0.00 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.38 2qsg h SER 236 Cb 1.09 -0.05 -0.07 0.00 -0.31 0.00 0.00 62.40 63.07 2qsg h SER 236 CO 0.06 0.18 -0.27 0.00 -0.87 0.00 0.00 176.83 175.94 2qsg h ALA 237 N 1.13 -0.19 -0.91 5.18 0.00 -1.65 -2.87 119.26 119.95 2qsg h ALA 237 Ca 0.11 0.07 0.33 0.00 0.00 0.00 0.00 54.91 55.41 2qsg h ALA 237 Cb 0.00 0.55 -0.17 0.00 0.00 0.00 0.00 17.79 18.17 2qsg h ALA 237 CO -0.06 -0.70 0.30 -1.71 0.00 0.00 0.00 179.25 177.09 2qsg n ASN 238 N -5.39 0.15 -4.61 0.00 5.15 -1.01 -4.64 115.26 104.91 2qsg n ASN 238 Ca -0.01 1.52 -0.27 0.00 -0.60 0.00 0.00 54.58 55.22 2qsg n ASN 238 Cb 0.30 -0.67 -0.09 0.00 -0.53 0.00 0.00 39.78 38.80 2qsg n ASN 238 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2qsg s ASN 239 N -4.74 4.48 0.72 1.20 4.22 -1.09 -5.13 114.94 114.60 2qsg s ASN 239 Ca -0.10 -0.48 -0.11 0.00 -2.14 0.00 0.00 52.86 50.03 2qsg s ASN 239 Cb 0.29 -0.85 0.02 0.00 1.28 0.00 0.00 41.25 41.99 2qsg s ASN 239 CO 0.71 0.11 1.10 -0.75 -2.04 0.00 0.00 177.10 176.22 2qsg s LYS 240 N -2.80 2.71 0.17 3.55 2.47 -1.26 -4.96 119.74 119.62 2qsg s LYS 240 Ca 0.25 0.48 -0.16 0.00 -1.56 0.00 0.00 55.97 54.99 2qsg s LYS 240 Cb -0.09 -2.00 0.02 0.00 -1.46 0.00 0.00 37.83 34.30 2qsg s LYS 240 CO 0.16 -1.14 0.44 1.03 0.16 0.00 0.00 175.35 176.00 2qsg s ARG 241 N -5.33 1.24 -0.57 4.03 0.52 -1.26 -5.12 118.95 112.47 2qsg s ARG 241 Ca 0.59 -0.87 -0.28 0.00 -0.52 0.00 0.00 55.73 54.65 2qsg s ARG 241 Cb -0.12 0.48 0.03 0.00 0.52 0.00 0.00 34.95 35.87 2qsg s ARG 241 CO 0.52 -0.50 1.14 0.21 0.02 0.00 0.00 175.30 176.69 2qsg s LYS 242 N -3.87 3.50 -1.24 3.54 2.20 -1.26 -4.94 119.74 117.67 2qsg s LYS 242 Ca 0.08 0.18 -0.20 0.00 -0.36 0.00 0.00 55.97 55.68 2qsg s LYS 242 Cb 0.01 -4.01 0.01 0.00 -1.51 0.00 0.00 37.83 32.32 2qsg s LYS 242 CO -0.05 -1.62 1.80 -0.06 -0.36 0.00 0.00 175.35 175.06 2qsg s PHE 243 N 4.74 2.45 -0.80 4.03 0.08 -1.26 -4.91 117.98 122.32 2qsg s PHE 243 Ca 0.41 -0.79 -0.25 0.00 0.12 0.00 0.00 56.93 56.42 2qsg s PHE 243 Cb -0.08 -4.47 -0.01 0.00 -0.57 0.00 0.00 43.02 37.89 2qsg s PHE 243 CO 0.25 -1.59 1.72 0.21 -0.10 0.00 0.00 175.22 175.71 2qsg s LYS 244 N 5.13 2.87 0.17 0.44 2.47 -1.26 -4.95 119.74 124.61 2qsg s LYS 244 Ca 0.59 -0.13 -0.31 0.00 -1.56 0.00 0.00 55.97 54.56 2qsg s LYS 244 Cb 0.02 -4.74 -0.09 0.00 -1.46 0.00 0.00 37.83 31.56 2qsg s LYS 244 CO 0.09 -2.75 1.43 0.99 0.16 0.00 0.00 175.35 175.27 2qsg s THR 245 N 8.11 2.96 -0.22 3.43 2.01 -1.26 -5.02 115.64 125.65 2qsg s THR 245 Ca 0.59 0.73 -0.01 0.00 0.31 0.00 0.00 61.69 63.31 2qsg s THR 245 Cb -0.08 -3.47 0.02 0.00 0.01 0.00 0.00 72.50 68.98 2qsg s THR 245 CO 0.07 0.08 -0.10 -0.22 -0.69 0.00 0.00 174.62 173.76 2qsg s LEU 246 N 0.59 2.79 0.42 4.42 2.96 -1.26 -5.09 118.68 123.51 2qsg s LEU 246 Ca 0.64 -0.70 0.07 0.00 -0.22 0.00 0.00 54.13 53.91 2qsg s LEU 246 Cb -0.40 -1.62 0.01 0.00 0.50 0.00 0.00 46.19 44.68 2qsg s LEU 246 CO 0.35 -0.06 0.58 -0.54 -1.32 0.00 0.00 176.35 175.35 2qsg s LYS 247 N 1.34 2.85 0.23 1.98 1.02 -1.26 -4.99 119.74 120.92 2qsg s LYS 247 Ca 0.03 -1.12 -0.06 0.00 0.02 0.00 0.00 55.97 54.83 2qsg s LYS 247 Cb -0.15 -2.73 0.32 0.00 -0.52 0.00 0.00 37.83 34.75 2qsg s LYS 247 CO -0.07 -0.27 1.82 -0.09 -0.92 0.00 0.00 175.35 175.83 2qsg h ARG 248 N 0.61 0.80 -0.39 1.68 2.43 -2.00 -2.10 114.38 115.41 2qsg h ARG 248 Ca -0.41 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 58.70 2qsg h ARG 248 Cb 1.28 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 30.63 2qsg h ARG 248 CO 0.48 0.53 0.21 0.77 -1.51 0.00 0.00 179.97 180.45 2qsg h SER 249 N 0.83 0.49 -0.51 -3.80 0.02 -2.00 -2.63 113.55 105.94 2qsg h SER 249 Ca 0.36 -0.09 0.08 0.00 -0.84 0.00 0.00 61.79 61.29 2qsg h SER 249 Cb 0.23 -0.12 -0.06 0.00 0.14 0.00 0.00 62.40 62.59 2qsg h SER 249 CO -0.20 0.44 0.16 0.44 -1.14 0.00 0.00 176.83 176.54 2qsg h ASP 250 N 0.50 0.14 -0.60 3.07 3.32 -1.79 -0.15 116.42 120.90 2qsg h ASP 250 Ca 0.14 0.07 0.05 0.00 0.02 0.00 0.00 57.03 57.30 2qsg h ASP 250 Cb 0.06 0.07 -0.05 0.00 0.22 0.00 0.00 39.33 39.63 2qsg h ASP 250 CO -0.02 0.10 0.33 0.15 -1.72 0.00 0.00 179.24 178.08 2qsg h PHE 251 N 0.33 0.61 -0.24 4.55 3.57 -1.20 0.98 116.94 125.54 2qsg h PHE 251 Ca 0.25 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.75 2qsg h PHE 251 Cb 0.29 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 2qsg h PHE 251 CO -0.18 0.31 0.04 -0.07 -2.23 0.00 0.00 178.31 176.18 2qsg h LEU 252 N 0.63 0.38 -1.10 0.59 3.38 -0.87 -1.72 115.31 116.59 2qsg h LEU 252 Ca 0.26 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2qsg h LEU 252 Cb 0.14 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 2qsg h LEU 252 CO -0.16 0.54 0.45 0.03 0.09 0.00 0.00 178.44 179.39 2qsg h ARG 253 N 0.20 1.07 0.22 1.13 3.08 -0.67 -1.53 114.38 117.88 2qsg h ARG 253 Ca 0.07 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 2qsg h ARG 253 Cb 0.32 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.15 2qsg h ARG 253 CO 0.00 0.77 -0.11 0.00 -1.07 0.00 0.00 179.97 179.57 2qsg h ALA 254 N 1.41 -0.30 -0.97 0.04 0.00 -0.64 -2.20 119.26 116.60 2qsg h ALA 254 Ca 0.28 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.13 2qsg h ALA 254 Cb -0.01 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 2qsg h ALA 254 CO -0.05 -0.62 0.63 0.28 0.00 0.00 0.00 179.25 179.49 2qsg h VAL 255 N -0.39 1.15 0.00 0.00 2.07 -0.95 0.11 116.25 118.24 2qsg h VAL 255 Ca -0.03 -0.42 -0.10 0.00 0.82 0.00 0.00 66.70 66.98 2qsg h VAL 255 Cb 0.30 -0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 29.89 2qsg h VAL 255 CO 0.05 0.22 -0.47 0.77 0.02 0.00 0.00 177.57 178.16 2qsg h SER 256 N 1.21 0.00 0.85 0.57 4.64 -1.23 -3.04 113.55 116.55 2qsg h SER 256 Ca 0.39 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.67 2qsg h SER 256 Cb 0.03 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.11 2qsg h SER 256 CO -0.13 0.47 -1.18 0.29 -0.87 0.00 0.00 176.83 175.41 2qsg n LYS 257 N -3.42 0.61 -1.85 4.77 5.02 -0.83 -4.99 118.16 117.47 2qsg n LYS 257 Ca 0.01 0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 2qsg n LYS 257 Cb 0.62 -1.80 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 2qsg n LYS 257 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qsg n GLY 258 N 1.24 0.76 3.20 0.72 0.00 0.30 -4.60 105.19 106.82 2qsg n GLY 258 Ca -0.03 -0.68 -0.35 0.00 0.00 0.00 0.00 46.02 44.97 2qsg n GLY 258 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qsg s HIS 259 N -2.34 3.13 0.00 1.61 3.76 -0.79 -2.37 115.29 118.29 2qsg s HIS 259 Ca 0.00 -1.60 0.00 0.00 -0.15 0.00 0.00 55.06 53.31 2qsg s HIS 259 Cb 0.00 -2.09 0.00 0.00 1.11 0.00 0.00 32.58 31.60 2qsg s HIS 259 CO 0.00 -0.74 0.00 0.41 -0.85 0.00 0.00 174.74 173.56 2qsg n GLY 260 N 4.67 1.91 3.69 -2.22 0.00 -1.15 -4.60 105.19 107.50 2qsg n GLY 260 Ca -0.15 -1.05 -0.29 0.00 0.00 0.00 0.00 46.02 44.52 2qsg n GLY 260 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2qsg s ASP 261 N 0.00 3.00 0.57 1.61 1.47 -1.26 -3.08 116.67 118.97 2qsg s ASP 261 Ca 0.00 1.32 0.29 0.00 1.18 0.00 0.00 52.55 55.34 2qsg s ASP 261 Cb 0.00 -2.00 1.47 0.00 -0.34 0.00 0.00 42.92 42.05 2qsg s ASP 261 CO 0.00 -2.92 1.92 -0.65 0.68 0.00 0.00 175.17 174.21 2qsg h PRO 262 N -1.74 0.00 0.30 2.11 0.11 -1.95 -1.98 132.00 128.85 2qsg h PRO 262 Ca -0.52 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.57 2qsg h PRO 262 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 2qsg h PRO 262 CO 0.56 0.00 -0.14 -0.44 -0.21 0.00 0.00 178.00 177.77 2qsg h ASP 263 N 0.00 -0.34 -0.84 -2.05 3.32 -1.95 -2.77 116.42 111.79 2qsg h ASP 263 Ca 0.27 -0.20 0.13 0.00 0.02 0.00 0.00 57.03 57.25 2qsg h ASP 263 Cb 1.24 0.09 -0.09 0.00 0.22 0.00 0.00 39.33 40.79 2qsg h ASP 263 CO -0.00 0.07 0.45 0.40 -1.72 0.00 0.00 179.24 178.43 2qsg h ILE 264 N -0.82 0.78 0.14 0.35 2.04 -1.78 -2.29 117.51 115.92 2qsg h ILE 264 Ca -0.04 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.59 2qsg h ILE 264 Cb 0.52 0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 2qsg h ILE 264 CO 0.07 0.12 -0.34 -1.28 0.00 0.00 0.00 178.15 176.72 2qsg h SER 265 N 0.67 -0.99 -0.66 1.72 0.87 -1.29 0.56 113.55 114.43 2qsg h SER 265 Ca 0.45 0.10 0.10 0.00 -1.23 0.00 0.00 61.79 61.20 2qsg h SER 265 Cb 0.58 0.36 -0.04 0.00 -0.44 0.00 0.00 62.40 62.85 2qsg h SER 265 CO -0.33 -0.38 0.44 -0.37 -0.53 0.00 0.00 176.83 175.66 2qsg h VAL 266 N -0.52 0.91 -0.64 2.23 -1.51 -1.37 0.63 116.25 115.98 2qsg h VAL 266 Ca -0.01 -0.17 -0.03 0.00 -1.23 0.00 0.00 66.70 65.25 2qsg h VAL 266 Cb 0.50 0.36 -0.03 0.00 -2.13 0.00 0.00 31.29 30.00 2qsg h VAL 266 CO -0.15 0.09 0.28 1.56 -1.23 0.00 0.00 177.57 178.13 2qsg h GLN 267 N 0.51 0.94 -0.53 5.19 4.20 -0.80 0.23 115.11 124.85 2qsg h GLN 267 Ca 0.30 -0.15 -0.06 0.00 0.06 0.00 0.00 58.65 58.80 2qsg h GLN 267 Cb 0.51 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 2qsg h GLN 267 CO -0.09 0.77 0.10 0.78 -0.67 0.00 0.00 178.83 179.72 2qsg h GLY 268 N 0.89 0.94 0.73 3.46 0.00 0.32 -0.89 103.07 108.52 2qsg h GLY 268 Ca 0.22 -0.61 0.04 0.00 0.00 0.00 0.00 47.33 46.97 2qsg h GLY 268 CO -0.02 0.57 0.21 -2.75 0.00 0.00 0.00 176.54 174.55 2qsg h PHE 269 N 0.76 0.39 -0.49 5.60 3.57 -0.32 0.11 116.94 126.56 2qsg h PHE 269 Ca 0.16 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.74 2qsg h PHE 269 Cb 0.38 -0.11 -0.05 0.00 2.79 0.00 0.00 35.95 38.96 2qsg h PHE 269 CO 0.03 0.19 0.20 0.28 -2.23 0.00 0.00 178.31 176.77 2qsg h VAL 270 N 0.43 0.87 -0.86 1.41 2.07 -0.28 -1.69 116.25 118.21 2qsg h VAL 270 Ca 0.20 -0.13 0.05 0.00 0.82 0.00 0.00 66.70 67.63 2qsg h VAL 270 Cb 0.12 0.45 -0.05 0.00 -1.52 0.00 0.00 31.29 30.29 2qsg h VAL 270 CO -0.15 0.07 0.56 0.00 0.02 0.00 0.00 177.57 178.07 2qsg h ALA 271 N 1.31 1.50 0.08 1.67 0.00 0.03 -1.17 119.26 122.68 2qsg h ALA 271 Ca 0.23 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 2qsg h ALA 271 Cb 0.21 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2qsg h ALA 271 CO -0.21 0.39 -0.04 1.98 0.00 0.00 0.00 179.25 181.37 2qsg h MET 272 N 1.02 -0.10 -0.82 0.00 -1.53 -0.16 -2.17 114.93 111.17 2qsg h MET 272 Ca 0.35 0.01 0.07 0.00 -3.44 0.00 0.00 59.70 56.69 2qsg h MET 272 Cb 0.10 0.02 -0.05 0.00 -0.55 0.00 0.00 31.60 31.12 2qsg h MET 272 CO -0.12 0.09 0.54 -0.07 0.14 0.00 0.00 176.91 177.49 2qsg h LEU 273 N -0.29 0.78 -0.92 3.39 3.38 -0.54 -0.85 115.31 120.26 2qsg h LEU 273 Ca -0.01 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 2qsg h LEU 273 Cb 0.24 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2qsg h LEU 273 CO 0.02 0.49 -0.49 0.03 0.09 0.00 0.00 178.44 178.58 2qsg h ARG 274 N 0.88 0.12 0.00 1.13 3.08 -1.17 -0.88 114.38 117.54 2qsg h ARG 274 Ca 0.36 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.34 2qsg h ARG 274 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 2qsg h ARG 274 CO -0.13 0.59 0.00 0.00 -1.07 0.00 0.00 179.97 179.36 2qsg n ALA 275 N -2.46 2.59 -0.87 0.04 0.00 -0.38 -1.35 120.51 118.09 2qsg n ALA 275 Ca -0.02 -0.17 0.08 0.00 0.00 0.00 0.00 53.44 53.33 2qsg n ALA 275 Cb 0.52 -1.44 0.21 0.00 0.00 0.00 0.00 19.45 18.74 2qsg n ALA 275 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qsg n ASN 277 N -0.56 -4.83 -4.90 0.00 2.85 -0.45 -4.99 115.26 102.39 2qsg n ASN 277 Ca 0.18 -0.53 -0.35 0.00 -0.11 0.00 0.00 54.58 53.78 2qsg n ASN 277 Cb 0.76 -3.90 -0.05 0.00 1.24 0.00 0.00 39.78 37.83 2qsg n ASN 277 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 2qsg s VAL 278 N -3.15 5.45 -1.25 3.44 -7.23 -0.45 -5.01 120.40 112.20 2qsg s VAL 278 Ca 0.50 -0.02 -0.20 0.00 -1.81 0.00 0.00 61.98 60.44 2qsg s VAL 278 Cb -0.25 -3.50 -0.00 0.00 0.56 0.00 0.00 36.38 33.19 2qsg s VAL 278 CO 0.61 0.42 1.83 0.21 -0.31 0.00 0.00 175.10 177.86 2qsg s ASN 279 N -1.63 6.02 -0.20 4.85 3.84 -1.26 -4.11 114.94 122.44 2qsg s ASN 279 Ca 0.23 -2.10 -0.08 0.00 0.21 0.00 0.00 52.86 51.13 2qsg s ASN 279 Cb -0.12 -2.58 -0.04 0.00 -0.55 0.00 0.00 41.25 37.95 2qsg s ASN 279 CO 0.14 -2.04 0.08 0.00 -2.79 0.00 0.00 177.10 172.49 2qsg s ALA 280 N 7.31 3.43 0.09 1.71 0.00 -1.26 -2.49 121.76 130.55 2qsg s ALA 280 Ca 0.60 -0.80 -0.11 0.00 0.00 0.00 0.00 51.96 51.66 2qsg s ALA 280 Cb 0.02 -2.00 -0.06 0.00 0.00 0.00 0.00 23.12 21.08 2qsg s ALA 280 CO 0.10 0.06 0.44 1.03 0.00 0.00 0.00 175.76 177.39 2qsg s ARG 281 N 0.58 3.82 -0.03 0.00 0.52 0.21 -4.31 118.95 119.73 2qsg s ARG 281 Ca 0.04 0.26 -0.27 0.00 -0.52 0.00 0.00 55.73 55.24 2qsg s ARG 281 Cb -0.13 -2.99 -0.03 0.00 0.52 0.00 0.00 34.95 32.32 2qsg s ARG 281 CO 0.01 0.54 0.86 -1.17 0.02 0.00 0.00 175.30 175.57 2qsg s LEU 282 N -1.90 4.35 -0.21 2.53 2.96 0.22 -2.55 118.68 124.08 2qsg s LEU 282 Ca 0.34 1.46 -0.03 0.00 -0.22 0.00 0.00 54.13 55.68 2qsg s LEU 282 Cb -0.14 -3.37 -0.00 0.00 0.50 0.00 0.00 46.19 43.18 2qsg s LEU 282 CO 0.18 -0.20 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.31 2qsg s ILE 283 N 0.93 3.14 -0.15 6.68 -1.09 -0.71 0.14 121.20 130.15 2qsg s ILE 283 Ca 0.46 -0.57 0.02 0.00 -2.23 0.00 0.00 60.65 58.33 2qsg s ILE 283 Cb -0.20 -2.41 0.01 0.00 -1.58 0.00 0.00 42.46 38.29 2qsg s ILE 283 CO 0.24 0.45 -0.20 -0.32 -1.23 0.00 0.00 174.94 173.88 2qsg s MET 284 N 1.40 2.85 -0.68 2.79 -2.45 0.65 -1.11 119.30 122.75 2qsg s MET 284 Ca 0.05 -0.79 -0.19 0.00 -1.25 0.00 0.00 55.69 53.51 2qsg s MET 284 Cb -0.14 -2.37 0.11 0.00 1.25 0.00 0.00 34.83 33.68 2qsg s MET 284 CO -0.05 -0.09 0.83 0.45 1.05 0.00 0.00 175.02 177.21 2qsg s SER 285 N 1.01 6.31 0.12 1.11 0.15 0.07 0.23 113.70 122.69 2qsg s SER 285 Ca -0.03 -1.57 -0.31 0.00 0.70 0.00 0.00 55.95 54.74 2qsg s SER 285 Cb -0.15 -2.33 -0.09 0.00 -1.71 0.00 0.00 66.02 61.74 2qsg s SER 285 CO -0.05 -1.12 1.59 0.00 1.20 0.00 0.00 173.24 174.86 2qsg n GLN 287 N 4.69 2.45 -1.56 0.00 1.13 -1.26 -4.38 117.38 118.45 2qsg n GLN 287 Ca 0.15 -4.54 -0.29 0.00 -1.94 0.00 0.00 57.00 50.38 2qsg n GLN 287 Cb 0.40 -2.34 0.13 0.00 0.11 0.00 0.00 30.24 28.54 2qsg n GLN 287 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 2qsg s PRO 288 N -1.77 1.16 0.57 -1.09 0.04 -1.26 -4.17 135.00 128.48 2qsg s PRO 288 Ca 0.30 0.27 -0.17 0.00 0.04 0.00 0.00 61.00 61.44 2qsg s PRO 288 Cb -0.00 -1.84 -0.05 0.00 0.04 0.00 0.00 34.50 32.65 2qsg s PRO 288 CO -0.10 -2.18 1.05 -1.25 0.04 0.00 0.00 177.00 174.56 2qsg s PRO 289 N -5.30 3.44 -0.63 0.56 0.04 -1.26 -4.76 135.00 127.09 2qsg s PRO 289 Ca 0.64 1.24 -0.28 0.00 0.04 0.00 0.00 61.00 62.64 2qsg s PRO 289 Cb -0.14 -2.05 0.02 0.00 0.04 0.00 0.00 34.50 32.37 2qsg s PRO 289 CO 0.53 -0.72 1.34 0.34 0.04 0.00 0.00 177.00 178.53 2qsg s ASP 290 N -2.61 6.18 0.08 6.66 2.15 -1.26 -4.74 116.67 123.13 2qsg s ASP 290 Ca 0.64 0.01 0.15 0.00 0.43 0.00 0.00 52.55 53.77 2qsg s ASP 290 Cb -0.16 -2.55 0.63 0.00 -0.30 0.00 0.00 42.92 40.54 2qsg s ASP 290 CO 0.33 -1.73 1.45 2.22 -0.17 0.00 0.00 175.17 177.28 2qsg n PHE 291 N 9.38 0.23 0.59 -5.34 1.16 -1.26 -0.70 117.46 121.52 2qsg n PHE 291 Ca 0.09 0.10 0.13 0.00 -1.87 0.00 0.00 57.45 55.89 2qsg n PHE 291 Cb 0.49 -0.66 0.35 0.00 -1.61 0.00 0.00 39.48 38.05 2qsg n PHE 291 CO 0.00 0.00 0.00 1.15 -1.87 0.00 0.00 176.76 176.04 2qsg h THR 292 N 0.00 0.00 -2.93 1.97 2.02 -1.90 -3.43 112.91 108.64 2qsg h THR 292 Ca 0.00 -0.52 -0.55 0.00 0.77 0.00 0.00 66.41 66.12 2qsg h THR 292 Cb 0.22 1.43 -0.07 0.00 -1.74 0.00 0.00 68.15 67.99 2qsg h THR 292 CO 0.00 0.00 1.03 0.21 0.37 0.00 0.00 175.52 177.13 2qsg s ASN 293 N -4.58 6.30 -0.13 4.18 2.47 0.12 -4.84 114.94 118.47 2qsg s ASN 293 Ca 0.10 0.05 0.18 0.00 0.42 0.00 0.00 52.86 53.60 2qsg s ASN 293 Cb 0.12 -2.55 0.73 0.00 -1.45 0.00 0.00 41.25 38.10 2qsg s ASN 293 CO 0.63 -1.62 1.64 0.23 -3.72 0.00 0.00 177.10 174.26 2qsg n MET 294 N 8.69 3.85 -2.58 0.43 2.81 -1.26 -4.98 117.12 124.08 2qsg n MET 294 Ca 0.09 -2.92 -0.40 0.00 -1.81 0.00 0.00 57.70 52.65 2qsg n MET 294 Cb 0.49 -1.93 -0.05 0.00 -0.71 0.00 0.00 33.22 31.02 2qsg n MET 294 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2qsg s LYS 295 N -1.95 4.67 -0.00 0.03 1.02 -1.25 -1.67 119.74 120.59 2qsg s LYS 295 Ca 0.52 1.67 -0.19 0.00 0.02 0.00 0.00 55.97 57.99 2qsg s LYS 295 Cb 0.34 -3.16 -0.32 0.00 -0.52 0.00 0.00 37.83 34.18 2qsg s LYS 295 CO 0.24 0.29 0.98 0.97 -0.92 0.00 0.00 175.35 176.91 2qsg h ILE 296 N 3.03 1.39 -3.61 2.17 6.09 -1.29 -3.42 117.51 121.88 2qsg h ILE 296 Ca -0.46 -2.53 -0.64 0.00 -1.37 0.00 0.00 64.86 59.86 2qsg h ILE 296 Cb 1.21 3.01 -0.14 0.00 0.47 0.00 0.00 36.82 41.36 2qsg h ILE 296 CO 0.67 0.74 -0.04 -0.62 -3.07 0.00 0.00 178.15 175.83 2qsg s ASP 297 N -7.22 6.35 -0.39 2.19 2.15 -1.26 -4.93 116.67 113.56 2qsg s ASP 297 Ca -0.11 0.13 0.05 0.00 0.43 0.00 0.00 52.55 53.05 2qsg s ASP 297 Cb 0.03 -2.27 0.44 0.00 -0.30 0.00 0.00 42.92 40.82 2qsg s ASP 297 CO 0.88 -0.43 1.26 0.35 -0.17 0.00 0.00 175.17 177.07 2qsg n THR 298 N 5.36 2.61 -2.36 1.71 -2.24 -1.26 -5.06 114.28 113.04 2qsg n THR 298 Ca -0.05 -4.34 -0.34 0.00 -2.27 0.00 0.00 64.05 57.05 2qsg n THR 298 Cb 0.49 -1.18 -0.01 0.00 -2.10 0.00 0.00 70.33 67.53 2qsg n THR 298 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2qsg s SER 299 N -3.35 5.97 0.21 3.42 0.01 -1.26 -4.81 113.70 113.88 2qsg s SER 299 Ca 0.51 2.05 0.11 0.00 1.31 0.00 0.00 55.95 59.93 2qsg s SER 299 Cb 0.42 -2.57 -0.05 0.00 0.21 0.00 0.00 66.02 64.03 2qsg s SER 299 CO -0.05 -1.04 -0.22 -0.76 0.41 0.00 0.00 173.24 171.58 2qsg s LEU 300 N -3.73 2.47 -0.02 2.44 1.43 -1.26 -5.11 118.68 114.90 2qsg s LEU 300 Ca 0.70 -0.91 -0.30 0.00 -1.03 0.00 0.00 54.13 52.59 2qsg s LEU 300 Cb -0.20 -1.07 -0.05 0.00 0.03 0.00 0.00 46.19 44.89 2qsg s LEU 300 CO 0.25 0.06 1.44 0.21 0.23 0.00 0.00 176.35 178.54 2qsg s ASN 301 N -2.87 6.82 0.32 2.29 2.47 -1.26 -4.93 114.94 117.77 2qsg s ASN 301 Ca 0.22 2.11 0.16 0.00 0.42 0.00 0.00 52.86 55.78 2qsg s ASN 301 Cb -0.07 -2.55 0.35 0.00 -1.45 0.00 0.00 41.25 37.53 2qsg s ASN 301 CO 0.10 -0.76 1.58 1.23 -3.72 0.00 0.00 177.10 175.53 2qsg h GLY 302 N 8.77 0.00 -4.67 1.21 0.00 -2.00 -3.41 103.07 102.96 2qsg h GLY 302 Ca -0.37 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.43 2qsg h GLY 302 CO 0.92 0.00 0.89 0.21 0.00 0.00 0.00 176.54 178.56 2qsg s ASN 303 N -6.45 6.60 -0.75 0.19 3.04 -1.26 -2.75 114.94 113.56 2qsg s ASN 303 Ca 0.02 2.57 0.00 0.00 0.04 0.00 0.00 52.86 55.49 2qsg s ASN 303 Cb 0.09 -2.59 0.00 0.00 -1.54 0.00 0.00 41.25 37.22 2qsg s ASN 303 CO 0.72 -0.83 0.00 0.59 -3.04 0.00 0.00 177.10 174.54 2qsg n ASN 304 N 4.29 -2.92 -0.14 -4.21 3.02 -1.26 -4.86 115.26 109.18 2qsg n ASN 304 Ca 0.14 0.28 -0.09 0.00 -0.03 0.00 0.00 54.58 54.88 2qsg n ASN 304 Cb 0.39 -2.57 -0.00 0.00 -0.61 0.00 0.00 39.78 36.99 2qsg n ASN 304 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2qsg h ALA 305 N 1.02 0.54 0.68 5.41 0.00 -1.76 -1.99 119.26 123.16 2qsg h ALA 305 Ca -0.20 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 2qsg h ALA 305 Cb 1.08 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.71 2qsg h ALA 305 CO 0.24 0.13 -0.32 -0.92 0.00 0.00 0.00 179.25 178.37 2qsg h TYR 306 N 0.54 -0.84 -1.04 0.00 3.20 -1.89 -2.59 116.97 114.35 2qsg h TYR 306 Ca 0.14 -0.02 0.28 0.00 3.14 0.00 0.00 58.73 62.27 2qsg h TYR 306 Cb 0.15 0.28 -0.07 0.00 1.54 0.00 0.00 36.73 38.63 2qsg h TYR 306 CO -0.01 -0.51 0.71 0.87 -1.64 0.00 0.00 178.16 177.59 2qsg h LYS 307 N -1.21 0.20 0.00 1.82 6.56 -1.96 0.11 116.57 122.09 2qsg h LYS 307 Ca -0.09 -0.01 -0.20 0.00 -1.06 0.00 0.00 60.65 59.29 2qsg h LYS 307 Cb 0.71 -0.05 -0.03 0.00 -0.57 0.00 0.00 32.23 32.30 2qsg h LYS 307 CO 0.15 0.13 -0.97 -0.44 -2.06 0.00 0.00 179.45 176.27 2qsg h ASP 308 N 0.21 0.00 -0.17 0.86 3.32 -1.36 -3.21 116.42 116.07 2qsg h ASP 308 Ca 0.54 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.48 2qsg h ASP 308 Cb 1.73 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.28 2qsg h ASP 308 CO -0.15 0.92 -0.33 -0.03 -1.72 0.00 0.00 179.24 177.93 2qsg h MET 309 N 0.00 0.52 -0.09 3.56 4.05 -0.39 -3.19 114.93 119.39 2qsg h MET 309 Ca -0.03 -0.33 0.00 0.00 -0.28 0.00 0.00 59.70 59.06 2qsg h MET 309 Cb 1.72 0.04 0.00 0.00 -0.80 0.00 0.00 31.60 32.56 2qsg h MET 309 CO 0.12 0.94 0.00 1.33 0.23 0.00 0.00 176.91 179.53 2qsg n VAL 310 N -4.34 0.12 0.26 -5.77 0.24 -0.78 -3.81 118.33 104.24 2qsg n VAL 310 Ca -0.06 -0.14 0.13 0.00 -2.04 0.00 0.00 64.34 62.23 2qsg n VAL 310 Cb 0.49 0.01 0.66 0.00 -1.47 0.00 0.00 33.84 33.53 2qsg n VAL 310 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 2qsg h LYS 311 N 0.70 0.00 -4.44 7.34 3.64 -1.55 -3.42 116.57 118.84 2qsg h LYS 311 Ca 0.00 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 59.07 2qsg h LYS 311 Cb 0.16 0.00 -0.26 0.00 -0.41 0.00 0.00 32.23 31.72 2qsg h LYS 311 CO 0.00 0.13 -0.75 0.71 -2.27 0.00 0.00 179.45 177.27 2qsg s TYR 312 N -3.89 0.57 0.63 1.91 1.51 -1.25 -4.89 117.35 111.94 2qsg s TYR 312 Ca -0.01 -0.23 -0.09 0.00 -1.01 0.00 0.00 57.07 55.73 2qsg s TYR 312 Cb 0.11 -0.35 -0.00 0.00 -0.11 0.00 0.00 41.96 41.61 2qsg s TYR 312 CO 0.58 -0.03 1.00 -1.25 -1.11 0.00 0.00 175.55 174.74 2qsg s PRO 313 N -0.62 3.08 -0.26 -1.71 0.04 -1.26 -5.01 135.00 129.26 2qsg s PRO 313 Ca -0.02 0.35 -0.09 0.00 0.04 0.00 0.00 61.00 61.28 2qsg s PRO 313 Cb -0.05 -2.14 -0.15 0.00 0.04 0.00 0.00 34.50 32.20 2qsg s PRO 313 CO 0.00 -0.77 -0.23 -0.89 0.04 0.00 0.00 177.00 175.15 2qsg n ILE 314 N -2.76 1.53 -4.06 0.56 2.08 -1.26 -4.93 119.36 110.52 2qsg n ILE 314 Ca 0.05 -0.44 -0.36 0.00 0.56 0.00 0.00 62.75 62.56 2qsg n ILE 314 Cb 0.57 -1.72 -0.07 0.00 -0.75 0.00 0.00 39.64 37.66 2qsg n ILE 314 CO 0.00 0.00 0.00 -0.36 0.56 0.00 0.00 176.55 176.75 2qsg s PHE 315 N -2.51 3.44 0.00 1.39 0.40 -1.26 -0.75 117.98 118.69 2qsg s PHE 315 Ca -0.36 0.40 0.00 0.00 -0.60 0.00 0.00 56.93 56.37 2qsg s PHE 315 Cb 0.12 -1.88 0.00 0.00 0.51 0.00 0.00 43.02 41.77 2qsg s PHE 315 CO 0.55 0.64 0.00 -2.67 0.70 0.00 0.00 175.22 174.44 2qsg n TRP 316 N 1.96 0.00 -3.99 0.36 2.14 -0.27 -4.97 117.44 112.68 2qsg n TRP 316 Ca -0.19 0.00 -0.11 0.00 2.07 0.00 0.00 57.50 59.27 2qsg n TRP 316 Cb 0.54 0.00 -0.12 0.00 -0.81 0.00 0.00 31.31 30.92 2qsg n TRP 316 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 2qsg s GLU 318 N -0.91 1.77 -0.03 0.00 2.02 -1.06 0.44 118.70 120.93 2qsg s GLU 318 Ca -0.08 -0.69 0.05 0.00 0.02 0.00 0.00 54.97 54.27 2qsg s GLU 318 Cb -0.06 -1.61 -0.01 0.00 0.10 0.00 0.00 34.13 32.54 2qsg s GLU 318 CO -0.00 0.35 -0.19 0.08 0.02 0.00 0.00 175.26 175.51 2qsg s VAL 319 N -0.24 1.57 -0.31 2.63 1.01 0.96 0.64 120.40 126.67 2qsg s VAL 319 Ca 0.02 -0.82 -0.23 0.00 0.00 0.00 0.00 61.98 60.95 2qsg s VAL 319 Cb -0.10 -1.32 -0.00 0.00 0.00 0.00 0.00 36.38 34.96 2qsg s VAL 319 CO 0.01 0.45 0.75 0.86 0.00 0.00 0.00 175.10 177.17 2qsg s TRP 320 N -0.23 3.20 -0.58 5.22 -0.11 -1.04 0.11 118.94 125.51 2qsg s TRP 320 Ca 0.02 0.74 -0.22 0.00 1.22 0.00 0.00 56.10 57.85 2qsg s TRP 320 Cb -0.10 -3.19 0.06 0.00 -1.50 0.00 0.00 33.47 28.74 2qsg s TRP 320 CO 0.01 -0.56 0.85 0.34 -4.62 0.00 0.00 176.95 172.97 2qsg s ASP 321 N 1.65 6.24 0.40 5.86 3.68 -0.40 -4.86 116.67 129.24 2qsg s ASP 321 Ca 0.31 -0.80 0.15 0.00 2.13 0.00 0.00 52.55 54.34 2qsg s ASP 321 Cb -0.14 -2.38 0.85 0.00 -1.45 0.00 0.00 42.92 39.80 2qsg s ASP 321 CO 0.13 -1.21 1.88 0.07 0.13 0.00 0.00 175.17 176.17 2qsg h LYS 322 N 9.31 0.00 -0.18 4.34 2.10 -1.95 0.39 116.57 130.57 2qsg h LYS 322 Ca -0.28 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.24 2qsg h LYS 322 Cb 1.08 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.41 2qsg h LYS 322 CO 1.09 0.30 -0.39 0.74 -2.00 0.00 0.00 179.45 179.19 2qsg h PHE 323 N 0.00 0.75 -0.01 0.07 -1.00 -1.91 -3.19 116.94 111.66 2qsg h PHE 323 Ca -0.00 -0.28 0.00 0.00 2.81 0.00 0.00 57.97 60.50 2qsg h PHE 323 Cb 0.56 -0.14 0.00 0.00 3.61 0.00 0.00 35.95 39.99 2qsg h PHE 323 CO 0.00 1.03 -0.66 -1.13 -1.61 0.00 0.00 178.31 175.94 2qsg n SER 324 N -4.26 1.29 -3.90 2.17 3.41 -1.19 -4.92 113.62 106.22 2qsg n SER 324 Ca -0.06 -1.06 -0.28 0.00 -0.26 0.00 0.00 58.87 57.21 2qsg n SER 324 Cb 0.53 0.61 0.02 0.00 -0.26 0.00 0.00 64.21 65.11 2qsg n SER 324 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2qsg n LYS 325 N -0.89 -4.98 -4.23 4.33 4.01 0.13 -5.02 118.16 111.51 2qsg n LYS 325 Ca 0.07 0.57 -0.14 0.00 -0.51 0.00 0.00 58.31 58.29 2qsg n LYS 325 Cb 0.38 -5.30 -0.10 0.00 -0.51 0.00 0.00 35.03 29.50 2qsg n LYS 325 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 2qsg s LYS 326 N -6.49 1.01 0.12 1.97 -0.14 -1.11 -4.86 119.74 110.24 2qsg s LYS 326 Ca 0.45 -1.39 -0.30 0.00 -1.36 0.00 0.00 55.97 53.37 2qsg s LYS 326 Cb -0.23 -0.61 -0.06 0.00 -1.68 0.00 0.00 37.83 35.25 2qsg s LYS 326 CO 0.84 0.08 1.01 -1.58 -0.76 0.00 0.00 175.35 174.94 2qsg s TRP 327 N -3.14 3.73 -0.10 3.18 0.52 -1.26 -1.27 118.94 120.59 2qsg s TRP 327 Ca 0.14 1.72 -0.12 0.00 0.02 0.00 0.00 56.10 57.86 2qsg s TRP 327 Cb 0.01 -3.13 -0.05 0.00 -1.15 0.00 0.00 33.47 29.15 2qsg s TRP 327 CO 0.00 -0.09 0.28 0.42 0.02 0.00 0.00 176.95 177.58 2qsg s ILE 328 N 0.05 5.28 -0.19 2.03 1.01 0.30 -4.67 121.20 125.01 2qsg s ILE 328 Ca 0.48 0.53 -0.16 0.00 0.00 0.00 0.00 60.65 61.51 2qsg s ILE 328 Cb -0.25 -3.58 -0.04 0.00 0.01 0.00 0.00 42.46 38.60 2qsg s ILE 328 CO 0.31 0.52 0.39 -0.89 0.00 0.00 0.00 174.94 175.26 2qsg s THR 329 N -0.47 5.21 -0.16 2.92 2.01 0.04 -0.02 115.64 125.17 2qsg s THR 329 Ca 0.18 0.69 -0.01 0.00 0.31 0.00 0.00 61.69 62.87 2qsg s THR 329 Cb -0.14 -3.72 0.04 0.00 0.01 0.00 0.00 72.50 68.69 2qsg s THR 329 CO 0.07 0.27 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.53 2qsg s VAL 330 N 1.19 1.08 -0.48 3.82 1.01 0.17 -0.20 120.40 127.00 2qsg s VAL 330 Ca 0.19 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 61.58 2qsg s VAL 330 Cb -0.15 -1.25 0.13 0.00 0.00 0.00 0.00 36.38 35.11 2qsg s VAL 330 CO 0.08 0.14 0.24 -0.62 0.00 0.00 0.00 175.10 174.93 2qsg s ASP 331 N 1.65 4.85 0.19 3.32 3.68 0.54 -1.00 116.67 129.89 2qsg s ASP 331 Ca 0.01 -2.55 0.26 0.00 2.13 0.00 0.00 52.55 52.40 2qsg s ASP 331 Cb -0.15 -1.73 0.85 0.00 -1.45 0.00 0.00 42.92 40.44 2qsg s ASP 331 CO -0.08 -0.37 1.79 -0.81 0.13 0.00 0.00 175.17 175.83 2qsg n PRO 332 N 3.81 0.24 -0.07 4.34 -0.04 -1.26 -0.91 135.00 141.10 2qsg n PRO 332 Ca 0.04 0.20 -0.16 0.00 -0.04 0.00 0.00 63.50 63.54 2qsg n PRO 332 Cb 0.38 -1.78 -0.05 0.00 -0.04 0.00 0.00 33.50 32.01 2qsg n PRO 332 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2qsg n VAL 333 N -2.19 0.92 0.00 0.52 0.31 -1.26 -4.46 118.33 112.16 2qsg n VAL 333 Ca 0.06 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 2qsg n VAL 333 Cb 0.42 -1.75 0.00 0.00 -0.91 0.00 0.00 33.84 31.60 2qsg n VAL 333 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 2qsg n ASN 334 N -3.74 0.00 0.10 4.52 2.85 -1.26 -4.41 115.26 113.32 2qsg n ASN 334 Ca -0.28 0.31 0.13 0.00 -0.11 0.00 0.00 54.58 54.62 2qsg n ASN 334 Cb 0.67 -0.36 0.32 0.00 1.24 0.00 0.00 39.78 41.65 2qsg n ASN 334 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 2qsg h LEU 335 N 0.00 0.00 -3.02 1.20 3.38 -1.91 -3.48 115.31 111.49 2qsg h LEU 335 Ca 0.00 -0.06 -0.47 0.00 0.09 0.00 0.00 57.88 57.44 2qsg h LEU 335 Cb 0.00 0.00 0.04 0.00 0.09 0.00 0.00 40.66 40.79 2qsg h LEU 335 CO 0.00 0.03 -0.94 0.29 0.09 0.00 0.00 178.44 177.91 2qsg n LYS 336 N -2.28 -1.54 -4.12 1.13 5.02 -0.55 -5.00 118.16 110.82 2qsg n LYS 336 Ca 0.05 0.38 -0.09 0.00 -2.02 0.00 0.00 58.31 56.63 2qsg n LYS 336 Cb 0.44 -3.97 -0.10 0.00 -0.02 0.00 0.00 35.03 31.38 2qsg n LYS 336 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2qsg s THR 337 N -3.60 0.44 -0.06 -0.18 -4.23 -0.08 -4.96 115.64 102.96 2qsg s THR 337 Ca 0.37 -1.81 0.05 0.00 -1.18 0.00 0.00 61.69 59.11 2qsg s THR 337 Cb -0.15 -1.52 -0.00 0.00 1.34 0.00 0.00 72.50 72.17 2qsg s THR 337 CO 0.89 -0.91 -0.21 -0.63 -0.54 0.00 0.00 174.62 173.22 2qsg s ILE 338 N -3.62 1.73 0.07 2.99 1.01 -1.26 -0.34 121.20 121.78 2qsg s ILE 338 Ca 0.08 -0.86 -0.11 0.00 0.00 0.00 0.00 60.65 59.76 2qsg s ILE 338 Cb 0.06 -1.48 0.01 0.00 0.01 0.00 0.00 42.46 41.05 2qsg s ILE 338 CO -0.07 0.49 0.24 -1.83 0.00 0.00 0.00 174.94 173.76 2qsg s GLU 339 N 0.11 0.83 -0.73 2.79 -1.05 0.72 -5.00 118.70 116.37 2qsg s GLU 339 Ca -0.08 -0.78 0.02 0.00 -0.15 0.00 0.00 54.97 53.98 2qsg s GLU 339 Cb -0.14 0.35 0.18 0.00 -0.44 0.00 0.00 34.13 34.08 2qsg s GLU 339 CO 0.04 -0.27 0.55 -0.65 0.95 0.00 0.00 175.26 175.88 2qsg s GLN 340 N -3.35 2.66 0.00 -4.83 -0.21 -1.26 -0.78 119.66 111.89 2qsg s GLN 340 Ca 0.01 -3.19 -0.35 0.00 0.02 0.00 0.00 55.36 51.85 2qsg s GLN 340 Cb 0.02 -3.60 -0.13 0.00 1.00 0.00 0.00 33.01 30.30 2qsg s GLN 340 CO -0.08 -1.25 1.71 0.28 -2.12 0.00 0.00 175.29 173.82 2qsg n VAL 341 N 2.32 0.29 0.00 1.09 0.31 -1.26 -4.90 118.33 116.18 2qsg n VAL 341 Ca 0.18 -0.05 -0.02 0.00 -0.01 0.00 0.00 64.34 64.43 2qsg n VAL 341 Cb 0.35 -1.59 -0.01 0.00 -0.91 0.00 0.00 33.84 31.68 2qsg n VAL 341 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2qsg n ARG 342 N 4.97 0.11 -0.01 5.55 5.12 -1.26 -4.96 116.66 126.18 2qsg n ARG 342 Ca 0.21 0.05 -0.01 0.00 -1.93 0.00 0.00 57.85 56.16 2qsg n ARG 342 Cb 0.27 -0.57 -0.01 0.00 -1.16 0.00 0.00 32.46 30.99 2qsg n ARG 342 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2qsg n LEU 343 N -3.31 0.82 -4.40 0.55 7.99 -1.26 -5.03 117.00 112.37 2qsg n LEU 343 Ca -0.03 -0.00 -0.30 0.00 -0.01 0.00 0.00 56.01 55.67 2qsg n LEU 343 Cb 0.11 0.01 -0.13 0.00 -0.11 0.00 0.00 43.42 43.29 2qsg n LEU 343 CO 0.05 0.17 -0.54 -2.28 -1.51 0.00 0.00 177.39 173.27 2qsg s HIS 344 N -2.03 2.39 -0.02 -1.77 2.46 -1.26 -4.61 115.29 110.45 2qsg s HIS 344 Ca -0.01 -0.36 0.05 0.00 0.47 0.00 0.00 55.06 55.22 2qsg s HIS 344 Cb 0.00 -1.37 -0.01 0.00 -0.13 0.00 0.00 32.58 31.08 2qsg s HIS 344 CO 0.05 0.23 -0.18 0.45 -2.47 0.00 0.00 174.74 172.82 2qsg s SER 345 N -1.57 2.11 0.00 9.88 0.15 -1.26 -4.69 113.70 118.31 2qsg s SER 345 Ca 0.14 -0.33 0.15 0.00 0.70 0.00 0.00 55.95 56.61 2qsg s SER 345 Cb -0.10 -0.37 0.72 0.00 -1.71 0.00 0.00 66.02 64.56 2qsg s SER 345 CO 0.05 0.19 1.46 0.29 1.20 0.00 0.00 173.24 176.43 2qsg n LYS 346 N 2.83 0.11 -0.01 5.44 5.02 -1.26 -3.11 118.16 127.19 2qsg n LYS 346 Ca -0.16 0.19 0.10 0.00 -2.02 0.00 0.00 58.31 56.42 2qsg n LYS 346 Cb 0.53 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.91 2qsg n LYS 346 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2qsg n LEU 347 N -1.39 0.38 -4.64 -0.35 4.32 -1.26 -4.86 117.00 109.21 2qsg n LEU 347 Ca 0.06 -0.21 -0.43 0.00 -0.02 0.00 0.00 56.01 55.41 2qsg n LEU 347 Cb 0.15 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 41.92 2qsg n LEU 347 CO 0.13 0.10 1.43 0.00 -1.22 0.00 0.00 177.39 177.82 2qsg s ALA 348 N -3.18 3.35 0.38 -1.18 0.00 -1.18 -4.77 121.76 115.18 2qsg s ALA 348 Ca -0.01 0.69 -0.28 0.00 0.00 0.00 0.00 51.96 52.36 2qsg s ALA 348 Cb 0.14 -3.84 -0.10 0.00 0.00 0.00 0.00 23.12 19.31 2qsg s ALA 348 CO 0.83 -1.84 1.44 -1.25 0.00 0.00 0.00 175.76 174.94 2qsg s PRO 349 N 4.62 4.07 0.01 0.00 0.04 -1.26 -5.00 135.00 137.48 2qsg s PRO 349 Ca 0.76 2.47 0.04 0.00 0.04 0.00 0.00 61.00 64.31 2qsg s PRO 349 Cb -0.29 -2.92 -0.01 0.00 0.04 0.00 0.00 34.50 31.31 2qsg s PRO 349 CO 0.31 -0.53 -0.13 0.15 0.04 0.00 0.00 177.00 176.84 2qsg s LYS 350 N -2.12 1.00 0.00 4.56 3.01 -1.26 -4.91 119.74 120.02 2qsg s LYS 350 Ca 0.54 -0.56 0.00 0.00 -1.01 0.00 0.00 55.97 54.94 2qsg s LYS 350 Cb -0.45 -0.98 0.00 0.00 -1.01 0.00 0.00 37.83 35.39 2qsg s LYS 350 CO 0.60 0.26 0.00 0.41 0.51 0.00 0.00 175.35 177.13 2qsg n GLY 351 N 2.47 1.43 0.37 -3.33 0.00 -1.26 -4.51 105.19 100.34 2qsg n GLY 351 Ca -0.15 -1.38 -0.01 0.00 0.00 0.00 0.00 46.02 44.48 2qsg n GLY 351 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2qsg h VAL 352 N 0.00 0.06 -0.50 1.61 2.07 -1.97 -1.71 116.25 115.80 2qsg h VAL 352 Ca 0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 2qsg h VAL 352 Cb 0.00 0.06 -0.08 0.00 -1.52 0.00 0.00 31.29 29.75 2qsg h VAL 352 CO 0.00 0.00 -0.45 0.00 0.02 0.00 0.00 177.57 177.14 2qsg h ALA 353 N 1.37 -0.58 -0.68 1.67 0.00 -2.00 -2.74 119.26 116.29 2qsg h ALA 353 Ca 0.33 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.28 2qsg h ALA 353 Cb 0.60 1.14 -0.03 0.00 0.00 0.00 0.00 17.79 19.50 2qsg h ALA 353 CO -0.90 -0.84 0.41 0.00 0.00 0.00 0.00 179.25 177.92 2qsg h GLU 356 N 0.00 0.00 0.00 0.00 4.57 -1.30 -3.21 114.58 114.64 2qsg h GLU 356 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2qsg h GLU 356 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 2qsg h GLU 356 CO 0.00 0.28 0.00 0.54 -1.18 0.00 0.00 179.01 178.65 2qsg n ARG 357 N -3.55 0.41 -3.20 1.92 1.74 -0.98 -4.88 116.66 108.13 2qsg n ARG 357 Ca -0.01 -0.72 -0.22 0.00 -0.77 0.00 0.00 57.85 56.13 2qsg n ARG 357 Cb 0.42 -0.88 -0.07 0.00 -1.02 0.00 0.00 32.46 30.92 2qsg n ARG 357 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2qsg n ASN 358 N -0.15 -0.71 -4.49 0.55 2.85 -1.13 -1.38 115.26 110.81 2qsg n ASN 358 Ca 0.00 -2.63 -0.43 0.00 -0.11 0.00 0.00 54.58 51.41 2qsg n ASN 358 Cb 0.16 -0.17 -0.06 0.00 1.24 0.00 0.00 39.78 40.94 2qsg n ASN 358 CO 0.00 0.00 0.00 -0.32 -2.11 0.00 0.00 177.26 174.83 2qsg s MET 359 N -0.31 3.21 -0.12 1.20 -2.45 -1.25 -4.38 119.30 115.21 2qsg s MET 359 Ca 0.33 -0.59 -0.30 0.00 -1.25 0.00 0.00 55.69 53.89 2qsg s MET 359 Cb 0.11 -4.02 -0.01 0.00 1.25 0.00 0.00 34.83 32.15 2qsg s MET 359 CO -0.15 -1.15 1.07 -1.17 1.05 0.00 0.00 175.02 174.67 2qsg s LEU 360 N 2.85 4.23 0.00 4.11 0.20 -1.26 -4.74 118.68 124.07 2qsg s LEU 360 Ca 0.20 1.58 0.00 0.00 0.69 0.00 0.00 54.13 56.60 2qsg s LEU 360 Cb -0.16 -3.55 0.00 0.00 -0.43 0.00 0.00 46.19 42.05 2qsg s LEU 360 CO 0.16 -0.53 0.00 -2.11 -0.29 0.00 0.00 176.35 173.58 2qsg n ARG 361 N 5.36 0.05 -3.65 1.98 1.85 -1.26 -4.95 116.66 116.04 2qsg n ARG 361 Ca 0.10 0.00 -0.29 0.00 -1.00 0.00 0.00 57.85 56.66 2qsg n ARG 361 Cb 0.47 -0.01 -0.13 0.00 -1.05 0.00 0.00 32.46 31.75 2qsg n ARG 361 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 2qsg s TYR 362 N -0.55 1.68 -0.45 2.89 2.02 -1.26 -4.94 117.35 116.75 2qsg s TYR 362 Ca 0.00 -2.24 -0.19 0.00 -0.37 0.00 0.00 57.07 54.28 2qsg s TYR 362 Cb 0.00 -1.66 0.03 0.00 -0.40 0.00 0.00 41.96 39.94 2qsg s TYR 362 CO 0.00 -0.79 0.54 0.08 -1.57 0.00 0.00 175.55 173.80 2qsg s VAL 363 N 0.52 4.97 -0.11 0.71 1.01 -1.26 -1.12 120.40 125.12 2qsg s VAL 363 Ca 0.18 -0.29 -0.02 0.00 0.00 0.00 0.00 61.98 61.85 2qsg s VAL 363 Cb -0.24 -4.15 -0.03 0.00 0.00 0.00 0.00 36.38 31.96 2qsg s VAL 363 CO 0.00 -0.57 -0.02 -0.63 0.00 0.00 0.00 175.10 173.88 2qsg s ILE 364 N 2.42 4.07 -0.21 2.22 1.09 0.14 0.22 121.20 131.14 2qsg s ILE 364 Ca 0.15 -0.32 -0.04 0.00 -1.10 0.00 0.00 60.65 59.34 2qsg s ILE 364 Cb -0.17 -2.73 -0.01 0.00 -1.06 0.00 0.00 42.46 38.48 2qsg s ILE 364 CO 0.14 0.56 -0.03 0.00 -0.10 0.00 0.00 174.94 175.51 2qsg s ALA 365 N -0.35 2.86 -0.11 9.38 0.00 0.81 -0.25 121.76 134.10 2qsg s ALA 365 Ca 0.06 -1.12 -0.02 0.00 0.00 0.00 0.00 51.96 50.89 2qsg s ALA 365 Cb -0.12 -1.71 -0.03 0.00 0.00 0.00 0.00 23.12 21.26 2qsg s ALA 365 CO 0.02 -0.34 -0.04 0.71 0.00 0.00 0.00 175.76 176.11 2qsg s TYR 366 N 1.33 3.03 0.45 0.00 1.51 0.12 -1.00 117.35 122.79 2qsg s TYR 366 Ca 0.04 -0.05 0.06 0.00 -1.01 0.00 0.00 57.07 56.11 2qsg s TYR 366 Cb -0.14 -1.82 -0.03 0.00 -0.11 0.00 0.00 41.96 39.85 2qsg s TYR 366 CO -0.01 0.23 0.19 0.16 -1.11 0.00 0.00 175.55 175.01 2qsg s ASP 367 N -0.39 4.40 0.24 2.29 1.47 -1.26 -0.61 116.67 122.81 2qsg s ASP 367 Ca 0.06 -1.19 -0.09 0.00 1.18 0.00 0.00 52.55 52.51 2qsg s ASP 367 Cb -0.12 -0.20 0.38 0.00 -0.34 0.00 0.00 42.92 42.64 2qsg s ASP 367 CO 0.02 -0.67 1.62 0.03 0.68 0.00 0.00 175.17 176.85 2qsg h ARG 368 N 1.32 0.04 -0.93 2.11 3.08 -1.96 -1.87 114.38 116.17 2qsg h ARG 368 Ca -0.42 -0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.56 2qsg h ARG 368 Cb 1.27 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 31.27 2qsg h ARG 368 CO 0.69 0.03 0.08 1.63 -1.07 0.00 0.00 179.97 181.33 2qsg n LYS 369 N -5.43 1.81 -3.42 0.04 4.76 -1.26 -4.82 118.16 109.84 2qsg n LYS 369 Ca 0.12 -0.91 -0.21 0.00 -2.87 0.00 0.00 58.31 54.45 2qsg n LYS 369 Cb 0.44 -1.56 0.07 0.00 -1.84 0.00 0.00 35.03 32.14 2qsg n LYS 369 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 2qsg n TYR 370 N 0.11 -2.48 -0.94 2.13 4.02 -0.70 -4.33 117.16 114.97 2qsg n TYR 370 Ca 0.12 0.86 -0.05 0.00 -0.01 0.00 0.00 57.90 58.81 2qsg n TYR 370 Cb 0.67 -4.53 0.04 0.00 -0.02 0.00 0.00 39.34 35.50 2qsg n TYR 370 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2qsg n GLY 371 N -1.80 -1.74 3.15 2.72 0.00 -1.25 -0.43 105.19 105.84 2qsg n GLY 371 Ca -0.00 -1.59 0.06 0.00 0.00 0.00 0.00 46.02 44.49 2qsg n GLY 371 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qsg s ARG 373 N 2.96 1.18 -0.62 0.00 0.52 -0.17 -4.74 118.95 118.08 2qsg s ARG 373 Ca -0.06 -0.53 -0.28 0.00 -0.52 0.00 0.00 55.73 54.34 2qsg s ARG 373 Cb -0.09 -1.14 0.03 0.00 0.52 0.00 0.00 34.95 34.26 2qsg s ARG 373 CO -0.09 0.31 1.28 0.34 0.02 0.00 0.00 175.30 177.16 2qsg s ASP 374 N -0.37 6.29 -0.16 0.23 3.68 -1.26 -0.13 116.67 124.94 2qsg s ASP 374 Ca 0.06 0.01 0.16 0.00 2.13 0.00 0.00 52.55 54.90 2qsg s ASP 374 Cb -0.06 -2.55 0.66 0.00 -1.45 0.00 0.00 42.92 39.52 2qsg s ASP 374 CO -0.00 -1.64 1.58 0.55 0.13 0.00 0.00 175.17 175.78 2qsg n VAL 375 N 6.65 2.19 -0.10 1.11 3.14 0.13 -4.62 118.33 126.83 2qsg n VAL 375 Ca 0.08 -1.45 -0.05 0.00 -2.96 0.00 0.00 64.34 59.96 2qsg n VAL 375 Cb 0.49 -0.07 0.02 0.00 -1.06 0.00 0.00 33.84 33.21 2qsg n VAL 375 CO 0.00 0.00 0.00 0.74 -6.46 0.00 0.00 176.83 171.11 2qsg h THR 376 N 3.21 0.74 -0.97 1.55 2.02 -1.80 -2.84 112.91 114.82 2qsg h THR 376 Ca 0.00 -0.04 0.41 0.00 0.77 0.00 0.00 66.41 67.55 2qsg h THR 376 Cb 1.55 0.62 -0.17 0.00 -1.74 0.00 0.00 68.15 68.41 2qsg h THR 376 CO 0.29 0.02 0.52 -1.14 0.37 0.00 0.00 175.52 175.58 2qsg n ARG 377 N -5.18 -0.06 -0.23 6.66 0.00 -1.26 0.64 116.66 117.23 2qsg n ARG 377 Ca 0.02 1.34 -0.05 0.00 -0.00 0.00 0.00 57.85 59.16 2qsg n ARG 377 Cb 0.19 -2.40 0.06 0.00 0.00 0.00 0.00 32.46 30.30 2qsg n ARG 377 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.63 177.54 2qsg h ARG 378 N 0.00 0.84 0.00 -0.14 2.43 -1.88 -3.26 114.38 112.37 2qsg h ARG 378 Ca 0.82 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.94 2qsg h ARG 378 Cb 2.18 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 31.54 2qsg h ARG 378 CO -0.75 0.55 -0.99 0.66 -1.51 0.00 0.00 179.97 177.93 2qsg n TYR 379 N -4.65 0.16 -3.47 2.20 4.02 0.21 -4.77 117.16 110.85 2qsg n TYR 379 Ca 0.06 0.05 -0.43 0.00 -0.01 0.00 0.00 57.90 57.57 2qsg n TYR 379 Cb 0.04 -0.33 -0.09 0.00 -0.02 0.00 0.00 39.34 38.94 2qsg n TYR 379 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2qsg s ALA 380 N -3.15 3.45 0.25 -0.72 0.00 -0.71 -4.61 121.76 116.27 2qsg s ALA 380 Ca 0.05 -2.04 -0.03 0.00 0.00 0.00 0.00 51.96 49.94 2qsg s ALA 380 Cb 0.15 -2.89 0.47 0.00 0.00 0.00 0.00 23.12 20.85 2qsg s ALA 380 CO 0.81 -1.64 1.76 0.37 0.00 0.00 0.00 175.76 177.05 2qsg h GLN 381 N 8.62 0.55 -2.20 0.00 4.15 -1.86 -3.12 115.11 121.25 2qsg h GLN 381 Ca -0.26 -0.03 -0.60 0.00 0.77 0.00 0.00 58.65 58.52 2qsg h GLN 381 Cb 1.10 -0.12 -0.41 0.00 0.21 0.00 0.00 27.48 28.26 2qsg h GLN 381 CO 0.81 0.36 -0.56 0.91 -1.93 0.00 0.00 178.83 178.42 2qsg n TRP 382 N -4.91 3.92 -0.17 3.99 7.02 -1.26 -4.88 117.44 121.15 2qsg n TRP 382 Ca 0.15 -3.81 -0.03 0.00 -1.02 0.00 0.00 57.50 52.78 2qsg n TRP 382 Cb 0.40 -0.48 0.03 0.00 -2.42 0.00 0.00 31.31 28.84 2qsg n TRP 382 CO 0.00 0.00 0.00 0.52 -2.02 0.00 0.00 177.69 176.19 2qsg h MET 383 N 2.99 -0.08 0.17 -0.99 2.86 -1.91 -1.11 114.93 116.86 2qsg h MET 383 Ca 0.17 0.01 -0.32 0.00 -2.06 0.00 0.00 59.70 57.50 2qsg h MET 383 Cb 0.54 0.02 0.03 0.00 0.06 0.00 0.00 31.60 32.25 2qsg h MET 383 CO 0.85 -0.06 -1.34 -0.91 1.06 0.00 0.00 176.91 176.51 2qsg h ASN 384 N -0.09 0.88 0.00 1.22 2.35 -1.91 0.14 115.58 118.18 2qsg h ASN 384 Ca 0.25 -0.86 0.00 0.00 -0.55 0.00 0.00 56.30 55.14 2qsg h ASN 384 Cb 0.47 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.56 2qsg h ASN 384 CO -0.59 1.66 -0.05 0.77 -1.65 0.00 0.00 177.43 177.57 2qsg h SER 385 N 0.23 0.00 -0.07 5.81 4.64 -1.83 -3.39 113.55 118.94 2qsg h SER 385 Ca -0.22 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.09 2qsg h SER 385 Cb 2.02 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 64.10 2qsg h SER 385 CO 0.25 0.10 -0.03 0.11 -0.87 0.00 0.00 176.83 176.40 2qsg h LYS 386 N -0.15 0.14 0.18 4.77 1.57 -1.59 -3.33 116.57 118.16 2qsg h LYS 386 Ca 0.00 -0.06 -0.31 0.00 -1.87 0.00 0.00 60.65 58.41 2qsg h LYS 386 Cb 0.05 -0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.37 2qsg h LYS 386 CO 0.00 0.50 -1.41 0.28 -0.57 0.00 0.00 179.45 178.25 2qsg h VAL 387 N -0.23 1.33 -0.58 0.50 2.07 -1.09 -3.30 116.25 114.95 2qsg h VAL 387 Ca 0.02 -2.85 0.11 0.00 0.82 0.00 0.00 66.70 64.80 2qsg h VAL 387 Cb 0.46 2.95 -0.09 0.00 -1.52 0.00 0.00 31.29 33.09 2qsg h VAL 387 CO 0.01 0.85 0.08 -0.09 0.02 0.00 0.00 177.57 178.44 2qsg h ARG 388 N 0.11 0.20 -0.11 1.57 9.65 -0.87 0.14 114.38 125.06 2qsg h ARG 388 Ca -0.21 -0.01 0.03 0.00 -1.10 0.00 0.00 59.98 58.69 2qsg h ARG 388 Cb 2.07 -0.05 -0.00 0.00 -1.39 0.00 0.00 29.97 30.60 2qsg h ARG 388 CO 0.23 0.13 0.43 0.87 2.80 0.00 0.00 179.97 184.43 2qsg h LYS 389 N 0.21 0.00 -0.05 0.20 1.57 -1.67 -2.24 116.57 114.59 2qsg h LYS 389 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 2qsg h LYS 389 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 2qsg h LYS 389 CO -0.42 0.00 0.00 0.54 -0.57 0.00 0.00 179.45 179.00 2qsg n ARG 390 N -3.04 1.07 -3.97 3.15 5.12 0.47 -4.94 116.66 114.52 2qsg n ARG 390 Ca 0.01 -1.39 -0.26 0.00 -1.93 0.00 0.00 57.85 54.28 2qsg n ARG 390 Cb 0.51 -1.27 -0.03 0.00 -1.16 0.00 0.00 32.46 30.50 2qsg n ARG 390 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2qsg s ARG 391 N -1.15 3.35 0.00 5.56 0.52 -0.84 -4.91 118.95 121.49 2qsg s ARG 391 Ca 0.17 -0.64 0.04 0.00 -0.52 0.00 0.00 55.73 54.78 2qsg s ARG 391 Cb 0.12 -2.91 0.24 0.00 0.52 0.00 0.00 34.95 32.91 2qsg s ARG 391 CO 0.18 0.51 0.88 1.51 0.02 0.00 0.00 175.30 178.40 2qsg n ILE 392 N -0.52 0.59 1.30 1.52 0.13 -1.26 -2.10 119.36 119.01 2qsg n ILE 392 Ca -0.07 0.15 0.13 0.00 -1.10 0.00 0.00 62.75 61.86 2qsg n ILE 392 Cb 0.54 -1.08 0.36 0.00 -0.84 0.00 0.00 39.64 38.62 2qsg n ILE 392 CO 0.00 0.00 0.00 0.41 2.80 0.00 0.00 176.55 179.76 2qsg n THR 393 N -1.17 0.00 -0.30 9.51 -1.04 -1.26 -4.06 114.28 115.96 2qsg n THR 393 Ca 0.03 -0.35 0.02 0.00 -2.04 0.00 0.00 64.05 61.71 2qsg n THR 393 Cb 0.03 0.89 0.22 0.00 -1.82 0.00 0.00 70.33 69.64 2qsg n THR 393 CO 0.00 0.00 0.00 0.07 -0.64 0.00 0.00 175.07 174.50 2qsg h LYS 394 N 3.27 1.06 -6.69 -2.82 2.10 -1.57 -3.38 116.57 108.55 2qsg h LYS 394 Ca 0.00 -0.06 -0.45 0.00 -2.00 0.00 0.00 60.65 58.13 2qsg h LYS 394 Cb 0.70 -0.24 0.04 0.00 -0.90 0.00 0.00 32.23 31.82 2qsg h LYS 394 CO 0.00 0.70 -0.11 0.16 -2.00 0.00 0.00 179.45 178.21 2qsg s ASP 395 N -6.11 5.19 0.17 7.07 1.47 -1.26 -5.01 116.67 118.19 2qsg s ASP 395 Ca -0.12 -0.47 0.00 0.00 1.18 0.00 0.00 52.55 53.14 2qsg s ASP 395 Cb 0.19 -0.28 0.04 0.00 -0.34 0.00 0.00 42.92 42.53 2qsg s ASP 395 CO 0.80 -1.20 1.41 -0.78 0.68 0.00 0.00 175.17 176.08 2qsg h ASP 396 N 0.19 0.38 -0.09 2.11 1.82 -1.94 -2.50 116.42 116.39 2qsg h ASP 396 Ca -0.36 -0.27 -0.00 0.00 -0.39 0.00 0.00 57.03 56.00 2qsg h ASP 396 Cb 1.28 -0.11 -0.00 0.00 0.68 0.00 0.00 39.33 41.18 2qsg h ASP 396 CO 0.44 1.03 0.05 0.15 -1.61 0.00 0.00 179.24 179.30 2qsg h PHE 397 N 0.19 0.13 -0.79 0.28 3.57 -1.94 -2.80 116.94 115.59 2qsg h PHE 397 Ca -0.04 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 2qsg h PHE 397 Cb 1.39 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 40.05 2qsg h PHE 397 CO 0.04 0.16 0.45 0.78 -2.23 0.00 0.00 178.31 177.52 2qsg h GLY 398 N 0.06 1.16 -0.07 2.40 0.00 -1.70 -0.57 103.07 104.35 2qsg h GLY 398 Ca 0.03 -0.49 0.06 0.00 0.00 0.00 0.00 47.33 46.93 2qsg h GLY 398 CO -0.01 0.48 -0.36 -2.09 0.00 0.00 0.00 176.54 174.56 2qsg h GLU 399 N 1.09 -0.34 -0.29 4.80 4.57 -1.27 0.85 114.58 124.00 2qsg h GLU 399 Ca 0.28 0.02 -0.05 0.00 -1.18 0.00 0.00 59.36 58.43 2qsg h GLU 399 Cb -0.01 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 2qsg h GLU 399 CO -0.05 -0.23 -0.02 0.87 -1.18 0.00 0.00 179.01 178.40 2qsg h LYS 400 N -0.35 0.52 -0.31 1.92 1.79 -1.22 -2.32 116.57 116.59 2qsg h LYS 400 Ca 0.13 -0.18 0.07 0.00 -2.18 0.00 0.00 60.65 58.49 2qsg h LYS 400 Cb 0.57 -0.04 -0.08 0.00 -1.58 0.00 0.00 32.23 31.10 2qsg h LYS 400 CO -0.47 0.69 -0.23 2.35 -1.08 0.00 0.00 179.45 180.71 2qsg h TRP 401 N 0.30 -0.60 -0.49 -1.35 7.01 -0.63 -0.37 115.95 119.82 2qsg h TRP 401 Ca 0.08 0.04 -0.00 0.00 2.11 0.00 0.00 58.89 61.12 2qsg h TRP 401 Cb 0.46 0.31 -0.02 0.00 -2.10 0.00 0.00 29.16 27.81 2qsg h TRP 401 CO 0.04 -0.31 0.30 0.35 -2.79 0.00 0.00 178.44 176.04 2qsg h PHE 402 N -0.20 0.64 -0.93 2.65 3.57 -0.83 -2.41 116.94 119.43 2qsg h PHE 402 Ca 0.16 0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.78 2qsg h PHE 402 Cb 0.45 -0.21 -0.07 0.00 2.79 0.00 0.00 35.95 38.91 2qsg h PHE 402 CO -0.42 0.44 0.59 -0.09 -2.23 0.00 0.00 178.31 176.60 2qsg h ARG 403 N 0.66 0.84 -0.39 1.11 9.65 -0.71 -0.16 114.38 125.38 2qsg h ARG 403 Ca 0.18 -0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 58.99 2qsg h ARG 403 Cb -0.02 -0.19 -0.02 0.00 -1.39 0.00 0.00 29.97 28.35 2qsg h ARG 403 CO -0.03 0.56 0.19 0.87 2.80 0.00 0.00 179.97 184.35 2qsg h LYS 404 N 0.87 0.55 -0.23 0.20 1.57 -0.63 -1.33 116.57 117.57 2qsg h LYS 404 Ca 0.45 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 2qsg h LYS 404 Cb 0.53 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 2qsg h LYS 404 CO -0.21 0.49 0.15 0.28 -0.57 0.00 0.00 179.45 179.59 2qsg h VAL 405 N 0.48 1.07 0.06 0.50 2.07 -0.68 -1.57 116.25 118.18 2qsg h VAL 405 Ca 0.13 -0.14 0.03 0.00 0.82 0.00 0.00 66.70 67.54 2qsg h VAL 405 Cb 0.12 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 30.58 2qsg h VAL 405 CO -0.02 0.07 -0.28 0.40 0.02 0.00 0.00 177.57 177.76 2qsg h ILE 406 N 0.31 0.38 -1.00 4.57 1.08 -1.19 -2.36 117.51 119.31 2qsg h ILE 406 Ca 0.09 0.00 0.20 0.00 -0.39 0.00 0.00 64.86 64.76 2qsg h ILE 406 Cb -0.02 0.38 -0.11 0.00 -3.07 0.00 0.00 36.82 34.00 2qsg h ILE 406 CO -0.02 0.00 0.61 0.74 -0.69 0.00 0.00 178.15 178.80 2qsg h THR 407 N -0.46 0.67 0.00 -0.27 2.02 -0.97 0.26 112.91 114.16 2qsg h THR 407 Ca 0.05 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 66.99 2qsg h THR 407 Cb 0.52 -0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.84 2qsg h THR 407 CO -0.20 0.13 0.00 0.00 0.37 0.00 0.00 175.52 175.82 2qsg h ALA 408 N 1.65 1.00 -0.01 6.16 0.00 -0.76 -2.95 119.26 124.35 2qsg h ALA 408 Ca 0.58 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.49 2qsg h ALA 408 Cb 1.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2qsg h ALA 408 CO -0.37 0.00 -0.42 1.28 0.00 0.00 0.00 179.25 179.74 2qsg n LEU 409 N -2.69 1.26 -4.34 0.00 7.99 0.81 -4.90 117.00 115.14 2qsg n LEU 409 Ca 0.01 -0.68 -0.46 0.00 -0.01 0.00 0.00 56.01 54.87 2qsg n LEU 409 Cb 0.28 0.00 -0.04 0.00 -0.11 0.00 0.00 43.42 43.55 2qsg n LEU 409 CO 0.24 0.26 0.37 -2.28 -1.51 0.00 0.00 177.39 174.47 2qsg s HIS 410 N -1.95 3.39 -0.55 -1.77 2.46 -0.66 -4.41 115.29 111.80 2qsg s HIS 410 Ca 0.10 -1.51 0.01 0.00 0.47 0.00 0.00 55.06 54.14 2qsg s HIS 410 Cb 0.11 -3.89 0.51 0.00 -0.13 0.00 0.00 32.58 29.19 2qsg s HIS 410 CO 0.44 -1.10 1.89 0.72 -2.47 0.00 0.00 174.74 174.21 2qsg n HIS 411 N 5.07 2.99 -3.93 3.88 8.25 0.43 -4.94 115.22 126.98 2qsg n HIS 411 Ca 0.01 -2.54 -0.08 0.00 -0.26 0.00 0.00 57.72 54.84 2qsg n HIS 411 Cb 0.44 -1.15 -0.08 0.00 1.12 0.00 0.00 29.99 30.32 2qsg n HIS 411 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 2qsg s ARG 412 N -3.62 0.75 0.57 -0.41 1.70 -1.25 -4.84 118.95 111.84 2qsg s ARG 412 Ca 0.60 -1.01 -0.12 0.00 -0.47 0.00 0.00 55.73 54.73 2qsg s ARG 412 Cb 0.49 0.29 -0.05 0.00 -0.57 0.00 0.00 34.95 35.10 2qsg s ARG 412 CO 0.03 -0.21 0.99 0.15 -1.08 0.00 0.00 175.30 175.18 2qsg s LYS 413 N -3.73 3.72 0.35 3.89 -0.14 -1.26 -5.02 119.74 117.55 2qsg s LYS 413 Ca 0.04 0.77 -0.28 0.00 -1.36 0.00 0.00 55.97 55.15 2qsg s LYS 413 Cb 0.05 -2.13 -0.10 0.00 -1.68 0.00 0.00 37.83 33.98 2qsg s LYS 413 CO -0.10 -0.43 1.24 0.50 -0.76 0.00 0.00 175.35 175.80 2qsg s ARG 414 N -4.74 4.28 0.50 1.68 3.52 -1.26 -5.05 118.95 117.88 2qsg s ARG 414 Ca 0.56 2.05 0.06 0.00 -0.13 0.00 0.00 55.73 58.26 2qsg s ARG 414 Cb -0.11 -2.96 0.01 0.00 -1.56 0.00 0.00 34.95 30.34 2qsg s ARG 414 CO 0.45 -0.19 0.35 0.95 -0.81 0.00 0.00 175.30 176.05 2qsg s THR 415 N -1.22 1.91 0.33 4.11 -4.23 -1.26 -5.00 115.64 110.27 2qsg s THR 415 Ca 0.51 -1.52 0.16 0.00 -1.18 0.00 0.00 61.69 59.67 2qsg s THR 415 Cb -0.36 -2.43 0.13 0.00 1.34 0.00 0.00 72.50 71.18 2qsg s THR 415 CO 0.47 0.00 1.84 0.50 -0.54 0.00 0.00 174.62 176.88 2qsg h LYS 416 N 0.93 0.00 -0.31 3.99 3.11 -2.00 -2.68 116.57 119.60 2qsg h LYS 416 Ca -0.39 0.00 0.01 0.00 -2.81 0.00 0.00 60.65 57.46 2qsg h LYS 416 Cb 1.29 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 32.50 2qsg h LYS 416 CO 0.60 0.34 0.20 0.82 -2.81 0.00 0.00 179.45 178.60 2qsg h ILE 417 N 0.00 1.06 -0.98 2.00 2.04 -1.99 -1.34 117.51 118.30 2qsg h ILE 417 Ca -0.00 -0.14 0.16 0.00 1.00 0.00 0.00 64.86 65.88 2qsg h ILE 417 Cb 0.68 0.62 -0.09 0.00 -0.74 0.00 0.00 36.82 37.30 2qsg h ILE 417 CO 0.04 0.07 0.61 0.44 0.00 0.00 0.00 178.15 179.32 2qsg h ASP 418 N 0.40 0.77 -0.29 1.72 3.32 -1.87 -0.02 116.42 120.45 2qsg h ASP 418 Ca 0.12 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 2qsg h ASP 418 Cb -0.03 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 2qsg h ASP 418 CO -0.04 0.34 0.13 0.44 -1.72 0.00 0.00 179.24 178.39 2qsg h ASP 419 N 0.78 0.38 -0.70 6.45 3.32 -1.37 -1.49 116.42 123.80 2qsg h ASP 419 Ca 0.52 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.44 2qsg h ASP 419 Cb 0.78 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.20 2qsg h ASP 419 CO -0.30 0.42 0.45 1.88 -1.72 0.00 0.00 179.24 179.97 2qsg h TYR 420 N 0.33 0.89 -0.47 4.55 0.99 0.04 -0.45 116.97 122.84 2qsg h TYR 420 Ca 0.10 0.01 -0.11 0.00 2.00 0.00 0.00 58.73 60.73 2qsg h TYR 420 Cb 0.14 -0.30 -0.02 0.00 1.00 0.00 0.00 36.73 37.56 2qsg h TYR 420 CO -0.02 0.58 -0.16 1.49 -0.00 0.00 0.00 178.16 180.06 2qsg h GLU 421 N 0.94 0.91 -0.48 4.88 4.81 -1.02 -2.12 114.58 122.51 2qsg h GLU 421 Ca 0.25 -0.34 -0.09 0.00 -0.13 0.00 0.00 59.36 59.05 2qsg h GLU 421 Cb -0.08 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.23 2qsg h GLU 421 CO -0.05 0.99 -0.07 -0.44 -0.73 0.00 0.00 179.01 178.71 2qsg h ASP 422 N 0.80 0.84 -0.87 1.04 3.45 -0.97 0.01 116.42 120.72 2qsg h ASP 422 Ca 0.12 -0.24 0.01 0.00 0.43 0.00 0.00 57.03 57.35 2qsg h ASP 422 Cb 0.69 -0.23 -0.05 0.00 -0.56 0.00 0.00 39.33 39.19 2qsg h ASP 422 CO 0.05 0.95 0.57 1.56 -1.57 0.00 0.00 179.24 180.80 2qsg h GLN 423 N 0.78 1.12 -0.25 3.56 4.20 -0.93 0.33 115.11 123.91 2qsg h GLN 423 Ca 0.13 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.75 2qsg h GLN 423 Cb 0.57 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 2qsg h GLN 423 CO 0.03 0.74 0.06 -0.92 -0.67 0.00 0.00 178.83 178.07 2qsg h TYR 424 N 1.15 0.42 -0.68 2.96 5.03 -0.89 -2.04 116.97 122.92 2qsg h TYR 424 Ca 0.32 -0.05 -0.05 0.00 2.58 0.00 0.00 58.73 61.53 2qsg h TYR 424 Cb -0.10 -0.12 -0.03 0.00 1.55 0.00 0.00 36.73 38.03 2qsg h TYR 424 CO -0.01 0.50 0.22 0.74 -1.32 0.00 0.00 178.16 178.28 2qsg h PHE 425 N 0.23 1.09 -0.55 -3.82 0.05 -0.68 -0.91 116.94 112.36 2qsg h PHE 425 Ca 0.08 -0.11 0.04 0.00 3.82 0.00 0.00 57.97 61.80 2qsg h PHE 425 Cb 0.29 -0.32 -0.04 0.00 2.00 0.00 0.00 35.95 37.88 2qsg h PHE 425 CO 0.01 0.88 0.30 0.35 -0.18 0.00 0.00 178.31 179.67 2qsg h PHE 426 N 1.00 0.55 -0.04 -0.55 3.57 -0.23 -1.11 116.94 120.12 2qsg h PHE 426 Ca 0.22 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.65 2qsg h PHE 426 Cb 0.29 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 2qsg h PHE 426 CO 0.02 0.28 -0.39 1.96 -2.23 0.00 0.00 178.31 177.95 2qsg h GLN 427 N 0.57 0.09 -0.36 1.11 4.20 -1.12 -2.57 115.11 117.03 2qsg h GLN 427 Ca 0.24 -0.04 -0.11 0.00 0.06 0.00 0.00 58.65 58.79 2qsg h GLN 427 Cb 0.11 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 2qsg h GLN 427 CO -0.14 0.47 -0.23 0.00 -0.67 0.00 0.00 178.83 178.26 2qsg h ARG 428 N 0.08 0.72 -0.55 1.46 2.47 -0.30 -1.91 114.38 116.34 2qsg h ARG 428 Ca 0.01 -0.29 -0.07 0.00 -1.26 0.00 0.00 59.98 58.37 2qsg h ARG 428 Cb 0.73 -0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 29.00 2qsg h ARG 428 CO 0.05 0.88 0.05 -0.44 0.56 0.00 0.00 179.97 181.08 2qsg h ASP 429 N 0.63 0.90 -0.56 7.04 3.32 -1.12 -2.62 116.42 124.01 2qsg h ASP 429 Ca 0.09 -0.28 -0.01 0.00 0.02 0.00 0.00 57.03 56.85 2qsg h ASP 429 Cb 0.72 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 40.00 2qsg h ASP 429 CO 0.06 0.96 0.33 -0.33 -1.72 0.00 0.00 179.24 178.54 2qsg h GLU 430 N 0.82 0.78 0.00 3.56 5.08 -1.21 -3.14 114.58 120.47 2qsg h GLU 430 Ca 0.16 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2qsg h GLU 430 Cb 0.46 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.55 2qsg h GLU 430 CO 0.02 0.56 -0.64 -1.13 -1.00 0.00 0.00 179.01 176.82 2qsg n SER 431 N -4.41 0.63 -0.08 1.42 3.41 -0.74 -4.03 113.62 109.82 2qsg n SER 431 Ca 0.05 -0.42 -0.10 0.00 -0.26 0.00 0.00 58.87 58.14 2qsg n SER 431 Cb 0.08 0.45 -0.04 0.00 -0.26 0.00 0.00 64.21 64.45 2qsg n SER 431 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2qsg h GLU 432 N 0.00 0.39 0.00 4.33 4.81 -1.41 -3.49 114.58 119.21 2qsg h GLU 432 Ca 0.00 -0.08 0.14 0.00 -0.13 0.00 0.00 59.36 59.29 2qsg h GLU 432 Cb 0.51 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.80 2qsg h GLU 432 CO 0.00 0.45 -0.19 0.41 -0.73 0.00 0.00 179.01 178.95 2qsg n GLY 433 N -0.64 -1.47 3.72 1.92 0.00 -1.26 -4.78 105.19 102.69 2qsg n GLY 433 Ca -0.03 -1.12 -0.42 0.00 0.00 0.00 0.00 46.02 44.45 2qsg n GLY 433 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qsg s ILE 434 N -0.87 2.06 0.89 -0.61 1.09 -1.26 -4.97 121.20 117.52 2qsg s ILE 434 Ca 0.00 0.04 -0.11 0.00 -1.10 0.00 0.00 60.65 59.48 2qsg s ILE 434 Cb 0.00 -3.03 0.13 0.00 -1.06 0.00 0.00 42.46 38.50 2qsg s ILE 434 CO 0.00 0.00 1.09 -2.84 -0.10 0.00 0.00 174.94 173.10 2qsg s PRO 435 N 0.91 1.27 0.13 2.79 0.02 -1.26 -4.97 135.00 133.89 2qsg s PRO 435 Ca 0.73 0.96 0.27 0.00 0.02 0.00 0.00 61.00 62.97 2qsg s PRO 435 Cb -0.49 -1.80 0.85 0.00 0.02 0.00 0.00 34.50 33.07 2qsg s PRO 435 CO 0.34 -2.27 1.74 -0.25 -0.33 0.00 0.00 177.00 176.23 2qsg n ASP 436 N -3.93 0.58 -4.02 2.53 8.00 -1.26 -4.91 116.55 113.54 2qsg n ASP 436 Ca 0.08 0.46 -0.13 0.00 0.71 0.00 0.00 54.79 55.90 2qsg n ASP 436 Cb 0.54 -0.55 -0.12 0.00 -0.02 0.00 0.00 41.12 40.98 2qsg n ASP 436 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2qsg s SER 437 N -4.03 0.67 0.18 -2.24 1.04 -1.26 -4.77 113.70 103.30 2qsg s SER 437 Ca 0.11 -0.43 -0.13 0.00 0.48 0.00 0.00 55.95 55.98 2qsg s SER 437 Cb 0.14 0.02 0.12 0.00 0.10 0.00 0.00 66.02 66.41 2qsg s SER 437 CO 0.60 -0.16 1.82 0.58 0.98 0.00 0.00 173.24 177.06 2qsg h VAL 438 N 4.65 1.05 0.00 5.02 2.07 -1.93 -1.89 116.25 125.22 2qsg h VAL 438 Ca -0.33 -0.22 -0.04 0.00 0.82 0.00 0.00 66.70 66.93 2qsg h VAL 438 Cb 1.20 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 2qsg h VAL 438 CO 0.43 0.12 -0.17 0.06 0.02 0.00 0.00 177.57 178.02 2qsg h GLN 439 N 0.65 0.00 0.00 1.57 3.07 -2.00 -1.20 115.11 117.19 2qsg h GLN 439 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.96 2qsg h GLN 439 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.60 2qsg h GLN 439 CO -0.10 0.17 -0.00 -0.44 0.09 0.00 0.00 178.83 178.54 2qsg h ASP 440 N 0.00 0.00 -0.71 0.06 5.19 -1.73 -2.79 116.42 116.44 2qsg h ASP 440 Ca -0.00 -0.00 -0.17 0.00 -0.62 0.00 0.00 57.03 56.24 2qsg h ASP 440 Cb 0.46 0.00 -0.10 0.00 0.18 0.00 0.00 39.33 39.87 2qsg h ASP 440 CO 0.02 0.00 0.22 0.18 -3.12 0.00 0.00 179.24 176.54 2qsg n LEU 441 N -2.71 6.07 0.00 1.55 4.77 -0.47 -4.63 117.00 121.59 2qsg n LEU 441 Ca 0.05 -3.17 0.00 0.00 -0.03 0.00 0.00 56.01 52.86 2qsg n LEU 441 Cb 0.48 -0.74 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 2qsg n LEU 441 CO 0.32 0.77 0.11 1.17 -1.33 0.00 0.00 177.39 178.44 2qsg n LYS 442 N 0.02 0.00 -1.90 3.23 3.00 -1.05 -4.46 118.16 117.00 2qsg n LYS 442 Ca 0.38 0.07 -0.36 0.00 -0.00 0.00 0.00 58.31 58.40 2qsg n LYS 442 Cb 1.36 -0.77 0.04 0.00 0.00 0.00 0.00 35.03 35.66 2qsg n LYS 442 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2qsg n ASN 443 N -0.71 6.99 -4.75 3.14 3.02 -1.26 -4.96 115.26 116.73 2qsg n ASN 443 Ca 0.00 -3.81 -0.41 0.00 -0.03 0.00 0.00 54.58 50.34 2qsg n ASN 443 Cb 0.00 -0.92 -0.04 0.00 -0.61 0.00 0.00 39.78 38.21 2qsg n ASN 443 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 2qsg s HIS 444 N -3.92 3.50 0.43 3.10 2.46 -1.26 -4.96 115.29 114.65 2qsg s HIS 444 Ca 0.54 1.59 0.16 0.00 0.47 0.00 0.00 55.06 57.82 2qsg s HIS 444 Cb 0.45 -3.35 1.05 0.00 -0.13 0.00 0.00 32.58 30.59 2qsg s HIS 444 CO -0.28 -0.83 1.99 -1.00 -2.47 0.00 0.00 174.74 172.15 2qsg h PRO 445 N 4.40 0.00 0.00 2.88 0.13 -1.96 -3.33 132.00 134.11 2qsg h PRO 445 Ca -0.46 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.65 2qsg h PRO 445 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 2qsg h PRO 445 CO 0.70 0.19 -1.29 0.66 -0.23 0.00 0.00 178.00 178.03 2qsg n TYR 446 N -4.18 0.00 -4.36 1.56 4.02 -1.26 -4.86 117.16 108.07 2qsg n TYR 446 Ca -0.02 0.00 -0.26 0.00 -0.01 0.00 0.00 57.90 57.61 2qsg n TYR 446 Cb 0.26 -0.17 -0.12 0.00 -0.02 0.00 0.00 39.34 39.29 2qsg n TYR 446 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 2qsg s TYR 447 N -2.34 2.09 0.01 -0.72 4.12 -1.25 0.10 117.35 119.36 2qsg s TYR 447 Ca -0.02 -0.40 0.01 0.00 0.02 0.00 0.00 57.07 56.68 2qsg s TYR 447 Cb 0.03 -1.09 -0.01 0.00 -1.52 0.00 0.00 41.96 39.38 2qsg s TYR 447 CO 0.24 0.36 -0.04 0.08 0.02 0.00 0.00 175.55 176.21 2qsg s VAL 448 N -1.47 0.27 0.25 0.71 1.01 0.43 -4.27 120.40 117.32 2qsg s VAL 448 Ca 0.15 -0.34 -0.30 0.00 0.00 0.00 0.00 61.98 61.49 2qsg s VAL 448 Cb -0.08 -0.27 -0.09 0.00 0.00 0.00 0.00 36.38 35.93 2qsg s VAL 448 CO 0.07 -0.05 1.20 -0.76 0.00 0.00 0.00 175.10 175.56 2qsg s LEU 449 N -0.42 4.48 0.30 3.92 1.43 -1.26 -0.57 118.68 126.56 2qsg s LEU 449 Ca -0.02 2.35 0.03 0.00 -1.03 0.00 0.00 54.13 55.46 2qsg s LEU 449 Cb -0.03 -3.62 0.77 0.00 0.03 0.00 0.00 46.19 43.34 2qsg s LEU 449 CO -0.00 -0.34 1.52 1.21 0.23 0.00 0.00 176.35 178.96 2qsg n GLU 450 N 1.76 -0.08 0.12 1.70 2.13 -0.49 0.29 120.64 126.07 2qsg n GLU 450 Ca 0.02 1.44 0.11 0.00 0.66 0.00 0.00 57.16 59.40 2qsg n GLU 450 Cb 0.44 -2.31 0.47 0.00 0.27 0.00 0.00 31.44 30.31 2qsg n GLU 450 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2qsg n GLN 451 N -5.43 0.18 -0.09 5.31 10.64 -1.26 -2.56 117.38 124.16 2qsg n GLN 451 Ca 0.24 0.39 0.10 0.00 -1.83 0.00 0.00 57.00 55.89 2qsg n GLN 451 Cb 0.77 -1.83 0.14 0.00 -0.86 0.00 0.00 30.24 28.46 2qsg n GLN 451 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 2qsg n ASP 452 N -2.16 2.91 -4.64 2.61 8.00 0.14 -4.92 116.55 118.48 2qsg n ASP 452 Ca 0.02 -1.86 -0.43 0.00 0.71 0.00 0.00 54.79 53.24 2qsg n ASP 452 Cb 0.23 -0.12 -0.03 0.00 -0.02 0.00 0.00 41.12 41.19 2qsg n ASP 452 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2qsg s ILE 453 N -1.42 3.65 0.70 0.53 1.01 -1.06 -4.91 121.20 119.70 2qsg s ILE 453 Ca 0.28 0.76 -0.16 0.00 0.00 0.00 0.00 60.65 61.53 2qsg s ILE 453 Cb 0.17 -3.58 0.02 0.00 0.01 0.00 0.00 42.46 39.09 2qsg s ILE 453 CO 0.25 -0.16 1.22 -0.54 0.00 0.00 0.00 174.94 175.71 2qsg s LYS 454 N 4.36 2.34 0.60 2.79 1.02 -1.26 -4.88 119.74 124.71 2qsg s LYS 454 Ca 0.72 1.82 0.31 0.00 0.02 0.00 0.00 55.97 58.84 2qsg s LYS 454 Cb -0.29 -1.85 1.82 0.00 -0.52 0.00 0.00 37.83 36.99 2qsg s LYS 454 CO 0.29 -1.70 2.19 0.37 -0.92 0.00 0.00 175.35 175.58 2qsg h GLN 455 N 0.03 0.00 -0.84 1.68 4.15 -2.00 -0.61 115.11 117.52 2qsg h GLN 455 Ca -0.49 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 58.90 2qsg h GLN 455 Cb 1.30 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.97 2qsg h GLN 455 CO 0.51 0.00 0.05 0.25 -1.93 0.00 0.00 178.83 177.71 2qsg n THR 456 N -3.71 1.38 -4.17 2.39 -2.24 -1.26 -4.88 114.28 101.79 2qsg n THR 456 Ca -0.01 -0.67 -0.17 0.00 -2.27 0.00 0.00 64.05 60.93 2qsg n THR 456 Cb 0.19 -0.46 -0.12 0.00 -2.10 0.00 0.00 70.33 67.84 2qsg n THR 456 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2qsg s GLN 457 N -1.75 0.72 0.12 -0.78 -0.21 -0.24 -1.67 119.66 115.85 2qsg s GLN 457 Ca 0.25 -0.79 0.04 0.00 0.02 0.00 0.00 55.36 54.88 2qsg s GLN 457 Cb 0.19 -0.64 -0.04 0.00 1.00 0.00 0.00 33.01 33.52 2qsg s GLN 457 CO 0.07 0.14 -0.10 0.96 -2.12 0.00 0.00 175.29 174.24 2qsg s ILE 458 N -1.13 1.06 0.02 1.08 -4.36 -0.95 -4.85 121.20 112.07 2qsg s ILE 458 Ca -0.04 -1.84 -0.30 0.00 -0.26 0.00 0.00 60.65 58.21 2qsg s ILE 458 Cb -0.09 -1.60 -0.05 0.00 1.25 0.00 0.00 42.46 41.97 2qsg s ILE 458 CO 0.01 -0.64 1.25 -0.69 0.24 0.00 0.00 174.94 175.11 2qsg s VAL 459 N -2.85 3.99 0.28 8.37 1.01 -1.26 -0.70 120.40 129.24 2qsg s VAL 459 Ca 0.11 1.39 -0.29 0.00 0.00 0.00 0.00 61.98 63.19 2qsg s VAL 459 Cb -0.00 -3.89 -0.14 0.00 0.00 0.00 0.00 36.38 32.35 2qsg s VAL 459 CO 0.00 0.05 1.13 0.29 0.00 0.00 0.00 175.10 176.57 2qsg n LYS 460 N 4.62 1.56 -1.56 2.72 5.02 0.50 -4.82 118.16 126.20 2qsg n LYS 460 Ca 0.11 0.55 -0.46 0.00 -2.02 0.00 0.00 58.31 56.48 2qsg n LYS 460 Cb 0.45 -2.01 -0.02 0.00 -0.02 0.00 0.00 35.03 33.43 2qsg n LYS 460 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2qsg n PRO 461 N 0.96 1.11 -3.36 1.97 -0.04 -1.26 -2.84 135.00 131.54 2qsg n PRO 461 Ca 0.09 0.39 -0.17 0.00 -0.04 0.00 0.00 63.50 63.78 2qsg n PRO 461 Cb 0.32 -1.75 0.08 0.00 -0.04 0.00 0.00 33.50 32.10 2qsg n PRO 461 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2qsg n GLY 462 N 1.56 -0.73 2.91 0.55 0.00 -1.26 -5.03 105.19 103.18 2qsg n GLY 462 Ca 0.12 0.32 -0.17 0.00 0.00 0.00 0.00 46.02 46.30 2qsg n GLY 462 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qsg s LYS 464 N 0.39 2.28 0.89 0.00 1.02 -1.26 -4.94 119.74 118.12 2qsg s LYS 464 Ca -0.04 -1.93 -0.12 0.00 0.02 0.00 0.00 55.97 53.91 2qsg s LYS 464 Cb -0.08 -2.21 0.10 0.00 -0.52 0.00 0.00 37.83 35.13 2qsg s LYS 464 CO -0.00 -0.63 0.98 0.39 -0.92 0.00 0.00 175.35 175.16 2qsg n GLU 465 N -1.83 -0.26 -0.08 1.68 4.71 -1.26 -4.77 120.64 118.83 2qsg n GLU 465 Ca 0.02 -0.01 0.05 0.00 -0.01 0.00 0.00 57.16 57.21 2qsg n GLU 465 Cb 0.64 -2.26 0.09 0.00 -1.01 0.00 0.00 31.44 28.90 2qsg n GLU 465 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2qsg n GLY 467 N 0.48 -0.61 3.26 0.00 0.00 -1.06 -5.02 105.19 102.24 2qsg n GLY 467 Ca 0.08 -1.00 -0.14 0.00 0.00 0.00 0.00 46.02 44.95 2qsg n GLY 467 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qsg s TYR 468 N -2.00 1.30 -0.17 1.61 1.51 -1.26 -0.85 117.35 117.49 2qsg s TYR 468 Ca 0.00 -0.91 -0.02 0.00 -1.01 0.00 0.00 57.07 55.13 2qsg s TYR 468 Cb 0.00 -0.72 0.05 0.00 -0.11 0.00 0.00 41.96 41.18 2qsg s TYR 468 CO 0.00 -0.08 0.00 -1.17 -1.11 0.00 0.00 175.55 173.19 2qsg s LEU 469 N -3.20 1.28 -0.18 -1.29 0.20 -0.55 -4.91 118.68 110.03 2qsg s LEU 469 Ca 0.22 -0.67 -0.29 0.00 0.69 0.00 0.00 54.13 54.08 2qsg s LEU 469 Cb 0.05 -0.69 -0.04 0.00 -0.43 0.00 0.00 46.19 45.08 2qsg s LEU 469 CO 0.04 -0.25 1.67 -0.75 -0.29 0.00 0.00 176.35 176.77 2qsg s LYS 470 N 1.79 3.83 -0.43 1.98 2.20 -1.26 -1.76 119.74 126.09 2qsg s LYS 470 Ca 0.00 1.81 -0.29 0.00 -0.36 0.00 0.00 55.97 57.14 2qsg s LYS 470 Cb -0.16 -4.05 0.03 0.00 -1.51 0.00 0.00 37.83 32.13 2qsg s LYS 470 CO -0.07 -1.25 1.11 0.08 -0.36 0.00 0.00 175.35 174.85 2qsg s VAL 471 N 5.16 4.31 -0.30 4.02 1.01 0.70 -4.86 120.40 130.45 2qsg s VAL 471 Ca 0.74 1.37 -0.28 0.00 0.00 0.00 0.00 61.98 63.81 2qsg s VAL 471 Cb -0.28 -4.54 -0.03 0.00 0.00 0.00 0.00 36.38 31.54 2qsg s VAL 471 CO 0.30 -0.84 1.97 -2.28 0.00 0.00 0.00 175.10 174.26 2qsg s HIS 472 N 4.17 1.55 0.00 5.22 2.46 -1.26 -2.82 115.29 124.61 2qsg s HIS 472 Ca 0.47 0.63 0.00 0.00 0.47 0.00 0.00 55.06 56.63 2qsg s HIS 472 Cb -0.09 -4.04 0.00 0.00 -0.13 0.00 0.00 32.58 28.33 2qsg s HIS 472 CO 0.26 -3.32 0.00 0.41 -2.47 0.00 0.00 174.74 169.62 2qsg n GLY 473 N 5.57 1.56 2.89 1.59 0.00 -1.26 -5.10 105.19 110.44 2qsg n GLY 473 Ca 0.26 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.06 2qsg n GLY 473 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qsg s LYS 474 N 0.00 0.97 0.15 1.61 -0.14 -1.13 -5.11 119.74 116.09 2qsg s LYS 474 Ca 0.00 -0.12 -0.31 0.00 -1.36 0.00 0.00 55.97 54.18 2qsg s LYS 474 Cb 0.00 -1.00 -0.11 0.00 -1.68 0.00 0.00 37.83 35.04 2qsg s LYS 474 CO 0.00 -0.12 1.81 0.08 -0.76 0.00 0.00 175.35 176.36 2qsg s VAL 475 N 1.14 2.35 -1.93 3.17 1.01 -1.26 -2.42 120.40 122.46 2qsg s VAL 475 Ca -0.07 0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.92 2qsg s VAL 475 Cb -0.14 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.23 2qsg s VAL 475 CO -0.01 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.70 2qsg n GLY 476 N 4.18 1.76 3.67 4.51 0.00 -1.26 -4.95 105.19 113.10 2qsg n GLY 476 Ca 0.17 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 2qsg n GLY 476 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qsg s LYS 477 N -3.53 4.28 -0.00 1.61 2.20 -1.02 -5.03 119.74 118.26 2qsg s LYS 477 Ca 0.00 0.83 -0.01 0.00 -0.36 0.00 0.00 55.97 56.44 2qsg s LYS 477 Cb 0.00 -3.56 -0.00 0.00 -1.51 0.00 0.00 37.83 32.76 2qsg s LYS 477 CO 0.00 -0.24 0.01 0.08 -0.36 0.00 0.00 175.35 174.84 2qsg s VAL 478 N 1.86 0.02 -0.04 4.02 1.01 -1.26 -0.21 120.40 125.80 2qsg s VAL 478 Ca 0.34 -0.18 0.07 0.00 0.00 0.00 0.00 61.98 62.22 2qsg s VAL 478 Cb -0.16 -0.08 -0.02 0.00 0.00 0.00 0.00 36.38 36.12 2qsg s VAL 478 CO 0.12 -0.10 -0.25 -0.76 0.00 0.00 0.00 175.10 174.11 2qsg s LEU 479 N -0.28 2.06 0.24 3.92 1.43 -0.72 -4.91 118.68 120.41 2qsg s LEU 479 Ca -0.03 -0.49 -0.30 0.00 -1.03 0.00 0.00 54.13 52.29 2qsg s LEU 479 Cb -0.02 -1.35 -0.09 0.00 0.03 0.00 0.00 46.19 44.76 2qsg s LEU 479 CO -0.00 0.29 1.29 -0.54 0.23 0.00 0.00 176.35 177.61 2qsg s LYS 480 N -0.42 4.41 -0.14 1.70 1.02 -1.26 -1.48 119.74 123.57 2qsg s LYS 480 Ca 0.04 2.07 0.02 0.00 0.02 0.00 0.00 55.97 58.12 2qsg s LYS 480 Cb -0.12 -3.16 0.01 0.00 -0.52 0.00 0.00 37.83 34.05 2qsg s LYS 480 CO 0.01 -0.19 -0.19 0.08 -0.92 0.00 0.00 175.35 174.14 2qsg s VAL 481 N -0.33 1.87 0.05 3.17 1.01 -0.03 -1.39 120.40 124.75 2qsg s VAL 481 Ca 0.53 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.68 2qsg s VAL 481 Cb -0.37 -1.68 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 2qsg s VAL 481 CO 0.42 0.51 0.09 -0.31 0.00 0.00 0.00 175.10 175.82 2qsg s TYR 482 N 1.00 3.26 0.08 5.22 1.51 0.26 0.38 117.35 129.06 2qsg s TYR 482 Ca -0.04 0.14 -0.30 0.00 -1.01 0.00 0.00 57.07 55.86 2qsg s TYR 482 Cb -0.15 -1.67 -0.05 0.00 -0.11 0.00 0.00 41.96 39.97 2qsg s TYR 482 CO -0.04 0.54 1.08 0.00 -1.11 0.00 0.00 175.55 176.02 2qsg s ALA 483 N -1.34 3.30 0.53 3.71 0.00 -1.26 -0.43 121.76 126.27 2qsg s ALA 483 Ca 0.28 0.72 0.27 0.00 0.00 0.00 0.00 51.96 53.23 2qsg s ALA 483 Cb -0.12 -3.37 1.40 0.00 0.00 0.00 0.00 23.12 21.03 2qsg s ALA 483 CO 0.20 -0.27 1.96 0.87 0.00 0.00 0.00 175.76 178.52 2qsg h LYS 484 N 6.22 0.02 0.00 0.00 1.57 0.37 0.61 116.57 125.36 2qsg h LYS 484 Ca -0.42 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 2qsg h LYS 484 Cb 1.21 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.52 2qsg h LYS 484 CO 0.76 0.02 0.00 -0.09 -0.57 0.00 0.00 179.45 179.57 2qsg h ARG 485 N 0.02 0.00 -0.32 3.15 1.12 -1.92 -2.20 114.38 114.23 2qsg h ARG 485 Ca 0.31 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.18 2qsg h ARG 485 Cb 1.22 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.18 2qsg h ARG 485 CO -0.01 0.00 0.00 -0.25 -3.11 0.00 0.00 179.97 176.60 2qsg n ASP 486 N -2.71 2.49 -4.62 -3.80 8.00 0.21 -4.86 116.55 111.26 2qsg n ASP 486 Ca 0.01 -1.88 -0.34 0.00 0.71 0.00 0.00 54.79 53.28 2qsg n ASP 486 Cb 0.24 -0.21 -0.10 0.00 -0.02 0.00 0.00 41.12 41.03 2qsg n ASP 486 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2qsg s ILE 487 N -1.58 4.50 -0.08 0.53 -1.09 -0.83 -0.37 121.20 122.28 2qsg s ILE 487 Ca 0.34 -0.15 0.01 0.00 -2.23 0.00 0.00 60.65 58.62 2qsg s ILE 487 Cb 0.19 -2.99 -0.03 0.00 -1.58 0.00 0.00 42.46 38.05 2qsg s ILE 487 CO 0.27 0.50 -0.09 0.00 -1.23 0.00 0.00 174.94 174.39 2qsg s ALA 488 N 0.11 2.88 -0.13 9.38 0.00 0.12 -4.88 121.76 129.24 2qsg s ALA 488 Ca 0.03 -0.90 -0.15 0.00 0.00 0.00 0.00 51.96 50.94 2qsg s ALA 488 Cb -0.13 -1.23 -0.05 0.00 0.00 0.00 0.00 23.12 21.72 2qsg s ALA 488 CO 0.01 0.48 0.36 -0.51 0.00 0.00 0.00 175.76 176.10 2qsg s ASP 489 N -0.48 6.54 0.02 0.00 1.01 -1.26 -2.23 116.67 120.28 2qsg s ASP 489 Ca 0.07 0.64 0.04 0.00 0.71 0.00 0.00 52.55 54.01 2qsg s ASP 489 Cb -0.12 -2.22 -0.03 0.00 1.01 0.00 0.00 42.92 41.56 2qsg s ASP 489 CO 0.02 0.10 -0.09 -0.76 0.21 0.00 0.00 175.17 174.65 2qsg s LEU 490 N 0.35 3.07 0.19 1.23 1.43 -0.67 -4.45 118.68 119.82 2qsg s LEU 490 Ca 0.20 -0.22 0.07 0.00 -1.03 0.00 0.00 54.13 53.15 2qsg s LEU 490 Cb -0.14 -1.78 -0.05 0.00 0.03 0.00 0.00 46.19 44.26 2qsg s LEU 490 CO 0.07 0.26 -0.14 -0.54 0.23 0.00 0.00 176.35 176.23 2qsg s LYS 491 N -1.52 1.26 0.88 1.70 1.02 -0.88 -4.86 119.74 117.34 2qsg s LYS 491 Ca 0.17 -1.53 -0.14 0.00 0.02 0.00 0.00 55.97 54.50 2qsg s LYS 491 Cb -0.11 -1.03 0.15 0.00 -0.52 0.00 0.00 37.83 36.31 2qsg s LYS 491 CO 0.08 0.17 1.24 -1.54 -0.92 0.00 0.00 175.35 174.38 2qsg s SER 492 N -3.20 3.76 0.15 2.83 1.04 -1.26 -0.55 113.70 116.48 2qsg s SER 492 Ca 0.20 0.45 -0.20 0.00 0.48 0.00 0.00 55.95 56.89 2qsg s SER 492 Cb -0.01 -0.71 0.03 0.00 0.10 0.00 0.00 66.02 65.44 2qsg s SER 492 CO 0.05 -2.34 1.67 0.00 0.98 0.00 0.00 173.24 173.61 2qsg h ALA 493 N -1.34 0.08 0.26 5.32 0.00 -1.98 -0.46 119.26 121.15 2qsg h ALA 493 Ca -0.45 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 2qsg h ALA 493 Cb 1.28 0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.37 2qsg h ALA 493 CO 0.50 -0.53 -0.12 -0.09 0.00 0.00 0.00 179.25 179.00 2qsg h ARG 494 N -0.09 -0.33 -0.74 0.00 9.65 -1.94 -2.45 114.38 118.48 2qsg h ARG 494 Ca 0.14 0.02 0.17 0.00 -1.10 0.00 0.00 59.98 59.21 2qsg h ARG 494 Cb 0.30 0.08 -0.12 0.00 -1.39 0.00 0.00 29.97 28.83 2qsg h ARG 494 CO -0.32 -0.08 0.09 1.96 2.80 0.00 0.00 179.97 184.42 2qsg h GLN 495 N -0.54 0.17 -0.55 0.20 4.20 -1.88 -0.03 115.11 116.69 2qsg h GLN 495 Ca -0.04 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 2qsg h GLN 495 Cb 0.40 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.11 2qsg h GLN 495 CO 0.06 0.11 0.27 -1.49 -0.67 0.00 0.00 178.83 177.11 2qsg h TRP 496 N 0.18 0.78 -0.30 2.96 -0.00 -1.01 -2.53 115.95 116.01 2qsg h TRP 496 Ca 0.42 -0.03 0.03 0.00 -0.00 0.00 0.00 58.89 59.30 2qsg h TRP 496 Cb 0.73 -0.24 -0.02 0.00 -0.00 0.00 0.00 29.16 29.63 2qsg h TRP 496 CO -0.34 0.60 0.21 -0.92 -0.00 0.00 0.00 178.44 177.99 2qsg h TYR 497 N 0.73 0.26 0.00 0.49 3.20 -0.27 0.29 116.97 121.67 2qsg h TYR 497 Ca 0.19 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.06 2qsg h TYR 497 Cb 0.11 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.29 2qsg h TYR 497 CO -0.01 0.15 0.00 -1.33 -1.64 0.00 0.00 178.16 175.33 2qsg n MET 498 N -4.49 0.18 -0.48 1.82 2.81 -0.59 -0.28 117.12 116.09 2qsg n MET 498 Ca 0.03 0.15 0.05 0.00 -1.81 0.00 0.00 57.70 56.12 2qsg n MET 498 Cb 0.18 -1.50 0.19 0.00 -0.71 0.00 0.00 33.22 31.39 2qsg n MET 498 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 2qsg n ASN 499 N -1.23 2.36 -3.68 7.83 4.13 0.96 -4.77 115.26 120.87 2qsg n ASN 499 Ca 0.05 -3.53 -0.23 0.00 1.68 0.00 0.00 54.58 52.55 2qsg n ASN 499 Cb 0.07 -0.53 0.05 0.00 -1.54 0.00 0.00 39.78 37.83 2qsg n ASN 499 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2qsg n GLY 500 N -1.13 -0.39 2.99 7.41 0.00 0.62 -4.92 105.19 109.77 2qsg n GLY 500 Ca 0.22 0.16 -0.20 0.00 0.00 0.00 0.00 46.02 46.19 2qsg n GLY 500 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qsg s ARG 501 N -6.04 0.99 0.30 1.61 0.52 -0.89 -1.46 118.95 113.97 2qsg s ARG 501 Ca 0.24 -0.29 0.11 0.00 -0.52 0.00 0.00 55.73 55.27 2qsg s ARG 501 Cb -0.12 -0.92 -0.05 0.00 0.52 0.00 0.00 34.95 34.38 2qsg s ARG 501 CO 0.79 0.08 -0.11 0.96 0.02 0.00 0.00 175.30 177.04 2qsg s ILE 502 N 0.31 2.66 0.26 1.52 -5.25 -0.66 -1.84 121.20 118.21 2qsg s ILE 502 Ca -0.05 -2.21 -0.29 0.00 -0.99 0.00 0.00 60.65 57.11 2qsg s ILE 502 Cb -0.10 -2.55 -0.09 0.00 2.95 0.00 0.00 42.46 42.68 2qsg s ILE 502 CO 0.01 -0.33 0.95 -0.76 -1.79 0.00 0.00 174.94 173.02 2qsg s LEU 503 N -3.59 4.58 0.93 0.37 1.43 -1.26 0.80 118.68 121.93 2qsg s LEU 503 Ca 0.31 1.95 -0.11 0.00 -1.03 0.00 0.00 54.13 55.25 2qsg s LEU 503 Cb -0.03 -3.70 0.15 0.00 0.03 0.00 0.00 46.19 42.64 2qsg s LEU 503 CO 0.17 0.09 1.09 -0.54 0.23 0.00 0.00 176.35 177.39 2qsg s LYS 504 N -1.38 0.96 0.06 1.70 1.02 0.51 -4.78 119.74 117.83 2qsg s LYS 504 Ca 0.43 1.07 -0.26 0.00 0.02 0.00 0.00 55.97 57.24 2qsg s LYS 504 Cb -0.25 -1.76 -0.12 0.00 -0.52 0.00 0.00 37.83 35.18 2qsg s LYS 504 CO 0.31 -2.52 1.40 1.15 -0.92 0.00 0.00 175.35 174.78 2qsg h THR 505 N -1.76 0.00 -1.70 2.17 2.02 -1.96 -3.17 112.91 108.51 2qsg h THR 505 Ca -0.49 0.00 -0.70 0.00 0.77 0.00 0.00 66.41 65.99 2qsg h THR 505 Cb 1.28 0.00 -0.23 0.00 -1.74 0.00 0.00 68.15 67.46 2qsg h THR 505 CO 0.50 0.00 1.05 0.61 0.37 0.00 0.00 175.52 178.05 2qsg n GLY 506 N -1.40 5.30 3.49 2.16 0.00 -1.26 -4.94 105.19 108.53 2qsg n GLY 506 Ca -0.08 -2.29 -0.36 0.00 0.00 0.00 0.00 46.02 43.28 2qsg n GLY 506 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qsg s SER 507 N -0.57 5.33 -0.05 1.61 0.01 -1.20 -5.09 113.70 113.75 2qsg s SER 507 Ca 0.52 -0.14 -0.07 0.00 1.31 0.00 0.00 55.95 57.56 2qsg s SER 507 Cb 0.34 -1.96 -0.04 0.00 0.21 0.00 0.00 66.02 64.57 2qsg s SER 507 CO -0.27 -0.01 0.21 -0.60 0.41 0.00 0.00 173.24 172.98 2qsg s ARG 508 N 1.49 3.53 0.83 12.44 3.52 -1.26 -4.99 118.95 134.51 2qsg s ARG 508 Ca 0.06 -0.08 -0.12 0.00 -0.13 0.00 0.00 55.73 55.46 2qsg s ARG 508 Cb -0.15 -3.15 0.09 0.00 -1.56 0.00 0.00 34.95 30.18 2qsg s ARG 508 CO 0.05 0.72 1.10 0.00 -0.81 0.00 0.00 175.30 176.35 2qsg n LYS 510 N -3.57 0.83 -3.91 0.00 4.01 0.02 -5.00 118.16 110.53 2qsg n LYS 510 Ca 0.07 0.04 -0.10 0.00 -0.51 0.00 0.00 58.31 57.82 2qsg n LYS 510 Cb 0.56 -1.48 -0.09 0.00 -0.51 0.00 0.00 35.03 33.51 2qsg n LYS 510 CO 0.00 0.00 0.00 0.21 -1.11 0.00 0.00 177.40 176.50 2qsg s LYS 511 N -2.46 0.57 -0.03 1.97 2.20 -1.19 -5.02 119.74 115.77 2qsg s LYS 511 Ca -0.18 -0.68 0.05 0.00 -0.36 0.00 0.00 55.97 54.81 2qsg s LYS 511 Cb 0.07 0.23 -0.01 0.00 -1.51 0.00 0.00 37.83 36.60 2qsg s LYS 511 CO 0.69 -0.14 -0.19 0.08 -0.36 0.00 0.00 175.35 175.43 2qsg s VAL 512 N -2.36 1.54 -0.01 4.02 1.01 -1.26 -0.66 120.40 122.68 2qsg s VAL 512 Ca -0.07 -0.80 0.04 0.00 0.00 0.00 0.00 61.98 61.14 2qsg s VAL 512 Cb -0.03 -1.30 -0.01 0.00 0.00 0.00 0.00 36.38 35.04 2qsg s VAL 512 CO -0.03 0.44 -0.12 -0.63 0.00 0.00 0.00 175.10 174.76 2qsg s ILE 513 N -0.20 0.93 -0.05 2.22 1.09 -0.84 -4.97 121.20 119.39 2qsg s ILE 513 Ca 0.01 -0.50 -0.26 0.00 -1.10 0.00 0.00 60.65 58.79 2qsg s ILE 513 Cb -0.10 -0.78 -0.03 0.00 -1.06 0.00 0.00 42.46 40.49 2qsg s ILE 513 CO 0.01 0.27 0.83 -0.54 -0.10 0.00 0.00 174.94 175.41 2qsg s LYS 514 N -0.26 4.47 -0.09 2.79 -0.14 -1.26 -0.65 119.74 124.59 2qsg s LYS 514 Ca 0.04 1.12 -0.09 0.00 -1.36 0.00 0.00 55.97 55.68 2qsg s LYS 514 Cb -0.05 -3.47 0.02 0.00 -1.68 0.00 0.00 37.83 32.66 2qsg s LYS 514 CO -0.00 -0.04 0.26 0.50 -0.76 0.00 0.00 175.35 175.31 2qsg s ARG 515 N 1.07 0.32 0.08 1.68 3.52 -0.64 -4.83 118.95 120.15 2qsg s ARG 515 Ca 0.44 0.32 -0.02 0.00 -0.13 0.00 0.00 55.73 56.34 2qsg s ARG 515 Cb -0.19 0.15 -0.05 0.00 -1.56 0.00 0.00 34.95 33.31 2qsg s ARG 515 CO 0.21 -0.04 0.26 0.99 -0.81 0.00 0.00 175.30 175.91 2qsg s THR 516 N 0.05 5.32 0.00 4.11 2.01 -1.26 -0.05 115.64 125.82 2qsg s THR 516 Ca -0.01 -0.21 0.00 0.00 0.31 0.00 0.00 61.69 61.78 2qsg s THR 516 Cb -0.02 -3.62 0.00 0.00 0.01 0.00 0.00 72.50 68.87 2qsg s THR 516 CO 0.01 0.13 0.00 0.52 -0.69 0.00 0.00 174.62 174.59 2qsg n VAL 517 N 0.31 0.00 -1.61 3.82 0.31 -1.26 -5.01 118.33 114.89 2qsg n VAL 517 Ca -0.05 -0.11 -0.52 0.00 -0.01 0.00 0.00 64.34 63.66 2qsg n VAL 517 Cb 0.51 0.61 -0.06 0.00 -0.91 0.00 0.00 33.84 34.00 2qsg n VAL 517 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2qsg n GLU 526 N -0.51 1.51 -3.62 5.55 -0.58 -1.23 -5.31 120.64 116.43 2qsg n GLU 526 Ca 0.00 0.52 -0.11 0.00 -0.42 0.00 0.00 57.16 57.14 2qsg n GLU 526 Cb 0.00 -2.44 -0.11 0.00 -0.57 0.00 0.00 31.44 28.32 2qsg n GLU 526 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 2qsg s GLU 527 N 4.67 0.23 -0.58 3.49 2.56 0.93 -4.85 118.70 125.15 2qsg s GLU 527 Ca 1.00 0.81 -0.26 0.00 0.00 0.00 0.00 54.97 56.52 2qsg s GLU 527 Cb -0.85 0.01 -0.04 0.00 2.00 0.00 0.00 34.13 35.25 2qsg s GLU 527 CO 0.55 -0.32 2.05 -0.51 -0.56 0.00 0.00 175.26 176.47 2qsg s ASP 528 N 2.50 4.97 -0.23 -1.70 -0.00 -1.26 -1.62 116.67 119.33 2qsg s ASP 528 Ca 0.01 0.56 -0.09 0.00 -0.00 0.00 0.00 52.55 53.03 2qsg s ASP 528 Cb -0.12 -2.52 -0.05 0.00 -0.00 0.00 0.00 42.92 40.23 2qsg s ASP 528 CO -0.11 -2.57 0.13 -1.83 -0.00 0.00 0.00 175.17 170.78 2qsg s GLU 529 N 7.48 4.01 0.28 8.23 -1.05 0.17 -4.91 118.70 132.90 2qsg s GLU 529 Ca 0.78 -0.31 -0.20 0.00 -0.15 0.00 0.00 54.97 55.08 2qsg s GLU 529 Cb -0.14 -3.45 -0.09 0.00 -0.44 0.00 0.00 34.13 30.01 2qsg s GLU 529 CO 0.22 0.08 0.80 1.03 0.95 0.00 0.00 175.26 178.34 2qsg s ARG 530 N 0.97 4.28 -0.00 -4.83 0.52 -1.26 -1.98 118.95 116.64 2qsg s ARG 530 Ca 0.06 0.96 0.07 0.00 -0.52 0.00 0.00 55.73 56.30 2qsg s ARG 530 Cb -0.13 -2.71 -0.02 0.00 0.52 0.00 0.00 34.95 32.61 2qsg s ARG 530 CO 0.03 0.28 -0.21 -0.51 0.02 0.00 0.00 175.30 174.92 2qsg s LEU 531 N -2.30 2.07 0.13 2.53 1.43 0.17 -4.12 118.68 118.59 2qsg s LEU 531 Ca 0.49 -0.41 0.07 0.00 -1.03 0.00 0.00 54.13 53.25 2qsg s LEU 531 Cb -0.15 -1.05 -0.04 0.00 0.03 0.00 0.00 46.19 44.98 2qsg s LEU 531 CO 0.20 0.24 -0.16 -0.31 0.23 0.00 0.00 176.35 176.55 2qsg s TYR 532 N -0.55 1.57 0.43 0.29 1.51 0.29 -0.80 117.35 120.09 2qsg s TYR 532 Ca 0.08 -0.51 -0.04 0.00 -1.01 0.00 0.00 57.07 55.59 2qsg s TYR 532 Cb -0.08 -0.81 -0.04 0.00 -0.11 0.00 0.00 41.96 40.92 2qsg s TYR 532 CO -0.00 0.21 0.71 -1.54 -1.11 0.00 0.00 175.55 173.82 2qsg s SER 533 N -2.45 6.30 0.37 2.29 1.04 -1.26 -2.07 113.70 117.91 2qsg s SER 533 Ca 0.11 0.81 0.14 0.00 0.48 0.00 0.00 55.95 57.49 2qsg s SER 533 Cb -0.06 -2.19 0.99 0.00 0.10 0.00 0.00 66.02 64.86 2qsg s SER 533 CO 0.04 -0.48 1.77 0.15 0.98 0.00 0.00 173.24 175.70 2qsg h PHE 534 N 0.49 0.80 0.00 5.02 3.57 -1.96 -0.24 116.94 124.62 2qsg h PHE 534 Ca -0.48 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.05 2qsg h PHE 534 Cb 1.21 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.71 2qsg h PHE 534 CO 0.57 0.10 0.00 0.39 -2.23 0.00 0.00 178.31 177.13 2qsg n GLU 535 N -4.70 0.22 0.22 1.11 4.71 -1.26 -1.70 120.64 119.24 2qsg n GLU 535 Ca 0.25 0.21 0.14 0.00 -0.01 0.00 0.00 57.16 57.74 2qsg n GLU 535 Cb 0.78 -1.77 0.40 0.00 -1.01 0.00 0.00 31.44 29.84 2qsg n GLU 535 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 2qsg h ASP 536 N 0.00 0.00 -3.07 1.62 3.32 -1.42 -3.46 116.42 113.41 2qsg h ASP 536 Ca 0.00 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.55 2qsg h ASP 536 Cb 0.67 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.23 2qsg h ASP 536 CO 0.00 0.00 -0.15 0.42 -1.72 0.00 0.00 179.24 177.79 2qsg s THR 537 N -3.36 5.05 0.10 0.35 -4.23 -0.69 -0.36 115.64 112.51 2qsg s THR 537 Ca 0.05 -0.15 0.06 0.00 -1.18 0.00 0.00 61.69 60.47 2qsg s THR 537 Cb 0.08 -3.80 -0.03 0.00 1.34 0.00 0.00 72.50 70.09 2qsg s THR 537 CO 0.59 -0.46 -0.16 -0.70 -0.54 0.00 0.00 174.62 173.36 2qsg s GLU 538 N -3.95 0.98 -0.01 3.99 2.12 0.24 -4.75 118.70 117.31 2qsg s GLU 538 Ca 0.42 -1.12 -0.30 0.00 0.36 0.00 0.00 54.97 54.34 2qsg s GLU 538 Cb -0.10 -1.00 -0.04 0.00 0.26 0.00 0.00 34.13 33.24 2qsg s GLU 538 CO 0.34 0.22 1.22 -1.17 -0.54 0.00 0.00 175.26 175.32 2qsg s LEU 539 N -2.06 4.32 -0.31 2.70 2.96 -1.26 -1.65 118.68 123.38 2qsg s LEU 539 Ca 0.04 1.91 -0.29 0.00 -0.22 0.00 0.00 54.13 55.58 2qsg s LEU 539 Cb -0.08 -3.57 0.01 0.00 0.50 0.00 0.00 46.19 43.06 2qsg s LEU 539 CO 0.03 -0.55 1.12 -0.47 -1.32 0.00 0.00 176.35 175.16 2qsg s TYR 540 N 1.81 3.06 -0.29 5.38 5.04 -0.54 -4.84 117.35 126.97 2qsg s TYR 540 Ca 0.58 1.13 -0.08 0.00 -2.44 0.00 0.00 57.07 56.26 2qsg s TYR 540 Cb -0.27 -3.73 -0.00 0.00 0.35 0.00 0.00 41.96 38.31 2qsg s TYR 540 CO 0.25 -0.97 0.10 0.42 -1.34 0.00 0.00 175.55 174.01 2qsg s ILE 541 N 3.77 4.22 0.46 3.14 1.01 -1.26 -4.64 121.20 127.90 2qsg s ILE 541 Ca 0.48 -0.53 -0.20 0.00 0.00 0.00 0.00 60.65 60.40 2qsg s ILE 541 Cb -0.13 -3.14 -0.10 0.00 0.01 0.00 0.00 42.46 39.10 2qsg s ILE 541 CO 0.17 0.12 0.98 -2.16 0.00 0.00 0.00 174.94 174.04 2qsg s PRO 542 N 1.55 4.07 0.73 2.79 0.04 -1.26 -5.04 135.00 137.89 2qsg s PRO 542 Ca 0.04 1.14 -0.16 0.00 0.04 0.00 0.00 61.00 62.06 2qsg s PRO 542 Cb -0.17 -2.15 0.04 0.00 0.04 0.00 0.00 34.50 32.26 2qsg s PRO 542 CO 0.04 -0.17 1.23 -0.35 0.04 0.00 0.00 177.00 177.79 2qsg n PRO 543 N -0.90 0.62 -1.76 0.56 -0.04 -1.26 -4.63 135.00 127.60 2qsg n PRO 543 Ca 0.07 0.28 -0.33 0.00 -0.04 0.00 0.00 63.50 63.48 2qsg n PRO 543 Cb 0.54 -2.47 0.05 0.00 -0.04 0.00 0.00 33.50 31.58 2qsg n PRO 543 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2qsg s LEU 544 N -4.90 3.40 0.46 1.53 2.01 -1.26 -4.73 118.68 115.18 2qsg s LEU 544 Ca 0.78 2.01 -0.21 0.00 0.01 0.00 0.00 54.13 56.72 2qsg s LEU 544 Cb -0.34 -4.55 -0.10 0.00 0.01 0.00 0.00 46.19 41.22 2qsg s LEU 544 CO 0.46 -1.64 1.00 0.00 1.01 0.00 0.00 176.35 177.18 2qsg s ALA 545 N -2.31 2.96 1.31 4.21 0.00 -1.26 -4.83 121.76 121.83 2qsg s ALA 545 Ca 0.67 0.53 -0.19 0.00 0.00 0.00 0.00 51.96 52.97 2qsg s ALA 545 Cb -0.21 -3.21 0.33 0.00 0.00 0.00 0.00 23.12 20.03 2qsg s ALA 545 CO 0.41 -0.12 0.99 -1.54 0.00 0.00 0.00 175.76 175.50 2qsg s SER 546 N -2.02 -0.08 0.23 0.00 1.04 -0.89 -4.77 113.70 107.20 2qsg s SER 546 Ca 0.64 0.99 -0.06 0.00 0.48 0.00 0.00 55.95 58.00 2qsg s SER 546 Cb -0.14 -1.46 0.35 0.00 0.10 0.00 0.00 66.02 64.88 2qsg s SER 546 CO 0.18 -4.78 1.80 0.00 0.98 0.00 0.00 173.24 171.42 2qsg h ALA 547 N -3.02 1.08 0.00 5.32 0.00 -1.97 0.11 119.26 120.78 2qsg h ALA 547 Ca -0.49 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2qsg h ALA 547 Cb 1.33 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2qsg h ALA 547 CO 0.37 0.07 0.00 -1.13 0.00 0.00 0.00 179.25 178.55 2qsg n SER 548 N -4.77 0.00 0.00 0.00 3.41 -1.26 -4.87 113.62 106.13 2qsg n SER 548 Ca 0.12 0.21 0.00 0.00 -0.26 0.00 0.00 58.87 58.94 2qsg n SER 548 Cb 0.25 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 2qsg n SER 548 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qsg n GLY 549 N 0.40 0.70 3.65 5.00 0.00 0.38 -4.60 105.19 110.72 2qsg n GLY 549 Ca 0.07 -0.71 -0.43 0.00 0.00 0.00 0.00 46.02 44.96 2qsg n GLY 549 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2qsg s GLU 550 N -2.27 4.09 0.15 1.61 2.12 -1.26 -4.50 118.70 118.65 2qsg s GLU 550 Ca 0.00 1.54 -0.26 0.00 0.36 0.00 0.00 54.97 56.61 2qsg s GLU 550 Cb 0.00 -3.83 -0.08 0.00 0.26 0.00 0.00 34.13 30.48 2qsg s GLU 550 CO 0.00 -0.89 0.79 0.42 -0.54 0.00 0.00 175.26 175.04 2qsg s ILE 551 N 3.93 4.40 -0.22 -3.70 1.09 -1.26 -2.11 121.20 123.34 2qsg s ILE 551 Ca 0.57 1.74 -0.25 0.00 -1.10 0.00 0.00 60.65 61.61 2qsg s ILE 551 Cb -0.21 -4.16 -0.01 0.00 -1.06 0.00 0.00 42.46 37.03 2qsg s ILE 551 CO 0.19 0.49 0.84 0.42 -0.10 0.00 0.00 174.94 176.78 2qsg s THR 552 N -0.95 4.85 0.42 2.92 -4.23 -1.26 -4.99 115.64 112.39 2qsg s THR 552 Ca 0.37 1.60 0.07 0.00 -1.18 0.00 0.00 61.69 62.55 2qsg s THR 552 Cb -0.23 -4.13 -0.06 0.00 1.34 0.00 0.00 72.50 69.42 2qsg s THR 552 CO 0.26 -0.04 0.08 -1.59 -0.54 0.00 0.00 174.62 172.79 2qsg s LYS 553 N 2.63 2.08 0.00 3.99 0.00 -1.26 -4.89 119.74 122.28 2qsg s LYS 553 Ca 0.36 -2.04 0.00 0.00 0.00 0.00 0.00 55.97 54.30 2qsg s LYS 553 Cb -0.16 -1.76 0.00 0.00 0.00 0.00 0.00 37.83 35.91 2qsg s LYS 553 CO 0.09 -0.11 0.00 0.27 0.00 0.00 0.00 175.35 175.60 2qsg n ASN 554 N -1.11 -0.44 0.17 0.03 0.23 0.08 -4.89 115.26 109.33 2qsg n ASN 554 Ca -0.05 -0.57 0.13 0.00 -0.53 0.00 0.00 54.58 53.57 2qsg n ASN 554 Cb 0.66 0.00 0.47 0.00 -2.08 0.00 0.00 39.78 38.83 2qsg n ASN 554 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2qsg h THR 555 N -1.07 0.00 -0.02 5.53 1.03 -2.02 -3.00 112.91 113.36 2qsg h THR 555 Ca 0.00 -0.47 0.00 0.00 -0.01 0.00 0.00 66.41 65.93 2qsg h THR 555 Cb 0.00 1.37 0.00 0.00 -1.07 0.00 0.00 68.15 68.45 2qsg h THR 555 CO 0.00 0.00 -0.31 0.49 -0.01 0.00 0.00 175.52 175.69 2qsg n PHE 556 N -2.55 0.00 -0.35 0.00 3.01 -1.26 -4.96 117.46 111.35 2qsg n PHE 556 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.49 2qsg n PHE 556 Cb 0.34 -0.02 0.00 0.00 -0.01 0.00 0.00 39.48 39.80 2qsg n PHE 556 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2qsg n GLY 557 N 1.38 0.80 3.55 1.37 0.00 -1.13 -5.08 105.19 106.09 2qsg n GLY 557 Ca 0.11 -0.17 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 2qsg n GLY 557 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qsg s ASN 558 N -2.15 3.48 -0.20 1.61 0.01 -1.26 -4.44 114.94 111.98 2qsg s ASN 558 Ca 0.00 -1.31 -0.07 0.00 -0.71 0.00 0.00 52.86 50.77 2qsg s ASN 558 Cb 0.00 -0.31 -0.04 0.00 0.41 0.00 0.00 41.25 41.31 2qsg s ASN 558 CO 0.00 -0.40 0.07 -0.51 -1.51 0.00 0.00 177.10 174.75 2qsg s ILE 559 N -2.81 4.66 -0.14 0.60 2.07 -0.16 -0.74 121.20 124.67 2qsg s ILE 559 Ca 0.34 -0.07 -0.29 0.00 -1.41 0.00 0.00 60.65 59.21 2qsg s ILE 559 Cb 0.07 -3.12 -0.02 0.00 0.13 0.00 0.00 42.46 39.52 2qsg s ILE 559 CO 0.16 0.42 1.32 -1.61 -1.91 0.00 0.00 174.94 173.32 2qsg s GLU 560 N 0.78 4.23 -0.35 3.50 2.02 -1.26 -1.13 118.70 126.49 2qsg s GLU 560 Ca 0.04 1.74 0.01 0.00 0.02 0.00 0.00 54.97 56.77 2qsg s GLU 560 Cb -0.13 -3.78 0.11 0.00 0.10 0.00 0.00 34.13 30.42 2qsg s GLU 560 CO 0.02 -0.71 0.14 0.08 0.02 0.00 0.00 175.26 174.80 2qsg s VAL 561 N 3.51 1.16 -0.71 2.63 1.01 -0.52 -4.88 120.40 122.60 2qsg s VAL 561 Ca 0.57 -1.84 0.13 0.00 0.00 0.00 0.00 61.98 60.85 2qsg s VAL 561 Cb -0.24 -1.85 -0.13 0.00 0.00 0.00 0.00 36.38 34.16 2qsg s VAL 561 CO 0.17 -0.74 0.60 0.49 0.00 0.00 0.00 175.10 175.62 2qsg n PHE 562 N 4.39 0.00 -3.80 5.22 0.99 -1.26 -4.09 117.46 118.91 2qsg n PHE 562 Ca 0.02 0.00 -0.12 0.00 -0.00 0.00 0.00 57.45 57.35 2qsg n PHE 562 Cb 0.40 0.00 -0.09 0.00 -1.00 0.00 0.00 39.48 38.79 2qsg n PHE 562 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2qsg s ALA 563 N -2.20 -0.58 0.58 4.37 0.00 -1.26 -4.85 121.76 117.82 2qsg s ALA 563 Ca 0.06 0.05 0.30 0.00 0.00 0.00 0.00 51.96 52.37 2qsg s ALA 563 Cb 0.10 0.16 1.42 0.00 0.00 0.00 0.00 23.12 24.80 2qsg s ALA 563 CO 0.53 -0.29 1.80 -1.35 0.00 0.00 0.00 175.76 176.45 2qsg h PRO 564 N 3.80 0.00 -0.24 0.00 0.11 -1.96 0.42 132.00 134.13 2qsg h PRO 564 Ca -0.31 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.72 2qsg h PRO 564 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 2qsg h PRO 564 CO 0.42 0.00 -0.21 1.15 -0.21 0.00 0.00 178.00 179.16 2qsg h THR 565 N 0.00 1.25 0.00 -1.15 2.02 -1.95 -3.12 112.91 109.96 2qsg h THR 565 Ca 0.33 -1.14 0.00 0.00 0.77 0.00 0.00 66.41 66.37 2qsg h THR 565 Cb 1.65 1.29 0.00 0.00 -1.74 0.00 0.00 68.15 69.35 2qsg h THR 565 CO -0.00 0.36 0.00 0.23 0.37 0.00 0.00 175.52 176.48 2qsg n MET 566 N -4.16 0.23 -2.34 6.66 2.81 0.15 -4.59 117.12 115.87 2qsg n MET 566 Ca -0.00 0.27 -0.42 0.00 -1.81 0.00 0.00 57.70 55.74 2qsg n MET 566 Cb 0.36 -1.81 -0.03 0.00 -0.71 0.00 0.00 33.22 31.04 2qsg n MET 566 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 2qsg s ILE 567 N -3.17 4.04 0.42 2.02 1.01 -1.18 -4.79 121.20 119.55 2qsg s ILE 567 Ca 0.09 1.35 -0.25 0.00 0.00 0.00 0.00 60.65 61.84 2qsg s ILE 567 Cb 0.12 -3.87 -0.10 0.00 0.01 0.00 0.00 42.46 38.61 2qsg s ILE 567 CO 0.53 -0.04 1.11 -2.65 0.00 0.00 0.00 174.94 173.88 2qsg n PRO 568 N 5.80 1.56 0.00 2.79 -0.02 -1.26 -4.86 135.00 139.02 2qsg n PRO 568 Ca 0.13 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 2qsg n PRO 568 Cb 0.45 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 2qsg n PRO 568 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qsg n GLY 569 N 1.04 0.54 0.27 -1.23 0.00 -1.26 -1.83 105.19 102.72 2qsg n GLY 569 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2qsg n GLY 569 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2qsg n ASN 570 N -0.08 0.00 -4.44 1.61 6.94 -1.26 -5.10 115.26 112.93 2qsg n ASN 570 Ca 0.00 -1.49 -0.30 0.00 -0.02 0.00 0.00 54.58 52.76 2qsg n ASN 570 Cb 0.13 -0.10 -0.07 0.00 -2.36 0.00 0.00 39.78 37.38 2qsg n ASN 570 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2qsg s LEU 573 N -1.88 4.17 -0.33 0.00 2.96 -1.26 -1.81 118.68 120.53 2qsg s LEU 573 Ca -0.09 0.66 0.00 0.00 -0.22 0.00 0.00 54.13 54.49 2qsg s LEU 573 Cb -0.04 -2.66 0.08 0.00 0.50 0.00 0.00 46.19 44.06 2qsg s LEU 573 CO -0.03 -0.13 0.04 -0.69 -1.32 0.00 0.00 176.35 174.22 2qsg s VAL 574 N 1.40 2.72 -0.42 1.68 1.01 0.20 -4.97 120.40 122.03 2qsg s VAL 574 Ca 0.23 -1.83 -0.19 0.00 0.00 0.00 0.00 61.98 60.19 2qsg s VAL 574 Cb -0.15 -2.75 0.02 0.00 0.00 0.00 0.00 36.38 33.50 2qsg s VAL 574 CO 0.09 -0.35 0.56 -1.61 0.00 0.00 0.00 175.10 173.80 2qsg s GLU 575 N 1.11 3.29 -0.28 2.72 2.02 -1.26 -0.57 118.70 125.73 2qsg s GLU 575 Ca 0.01 -0.44 -0.17 0.00 0.02 0.00 0.00 54.97 54.39 2qsg s GLU 575 Cb -0.20 -3.93 0.11 0.00 0.10 0.00 0.00 34.13 30.20 2qsg s GLU 575 CO -0.04 -0.90 0.81 1.21 0.02 0.00 0.00 175.26 176.36 2qsg s ASN 576 N 1.90 -0.75 0.43 -0.19 3.84 -0.89 -4.97 114.94 114.31 2qsg s ASN 576 Ca 0.19 1.23 0.28 0.00 0.21 0.00 0.00 52.86 54.77 2qsg s ASN 576 Cb -0.15 1.30 1.39 0.00 -0.55 0.00 0.00 41.25 43.24 2qsg s ASN 576 CO 0.16 -0.20 1.63 1.55 -2.79 0.00 0.00 177.10 177.46 2qsg h PRO 577 N 6.42 0.10 -0.03 0.43 0.13 -1.95 0.96 132.00 138.06 2qsg h PRO 577 Ca -0.29 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 2qsg h PRO 577 Cb 1.21 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2qsg h PRO 577 CO 0.17 0.07 -0.01 1.33 -0.23 0.00 0.00 178.00 179.32 2qsg n VAL 578 N -4.74 0.00 -0.08 1.56 0.24 -1.26 -4.50 118.33 109.55 2qsg n VAL 578 Ca 0.36 -0.49 0.17 0.00 -2.04 0.00 0.00 64.34 62.35 2qsg n VAL 578 Cb 1.38 1.43 0.59 0.00 -1.47 0.00 0.00 33.84 35.77 2qsg n VAL 578 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2qsg h ALA 579 N 4.05 2.29 0.15 2.33 0.00 -1.13 -0.71 119.26 126.24 2qsg h ALA 579 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2qsg h ALA 579 Cb 0.86 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2qsg h ALA 579 CO 0.00 -0.47 -0.07 0.82 0.00 0.00 0.00 179.25 179.53 2qsg h ILE 580 N 0.22 0.96 -0.50 0.00 5.03 -1.79 -2.44 117.51 118.99 2qsg h ILE 580 Ca 0.31 -1.06 0.10 0.00 -0.12 0.00 0.00 64.86 64.09 2qsg h ILE 580 Cb 0.91 1.55 -0.10 0.00 -3.03 0.00 0.00 36.82 36.15 2qsg h ILE 580 CO -0.06 0.23 -0.15 0.50 -0.68 0.00 0.00 178.15 177.99 2qsg h LYS 581 N -0.76 -0.03 -0.08 2.37 3.64 -1.73 -1.76 116.57 118.23 2qsg h LYS 581 Ca -0.02 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.40 2qsg h LYS 581 Cb 0.53 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.31 2qsg h LYS 581 CO 0.03 -0.02 -0.19 0.00 -2.27 0.00 0.00 179.45 177.00 2qsg h ALA 582 N 1.43 -0.18 -0.47 5.00 0.00 -1.18 -0.97 119.26 122.89 2qsg h ALA 582 Ca 0.24 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.24 2qsg h ALA 582 Cb 0.40 0.36 -0.05 0.00 0.00 0.00 0.00 17.79 18.49 2qsg h ALA 582 CO -0.53 -0.66 0.18 0.00 0.00 0.00 0.00 179.25 178.24 2qsg h ALA 583 N 0.70 0.58 -0.65 0.00 0.00 -1.04 -1.88 119.26 116.97 2qsg h ALA 583 Ca 0.08 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.05 2qsg h ALA 583 Cb 0.38 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2qsg h ALA 583 CO -0.23 -0.20 0.43 0.00 0.00 0.00 0.00 179.25 179.25 2qsg h ARG 584 N 0.37 0.86 -0.10 0.00 3.08 -0.95 -2.12 114.38 115.51 2qsg h ARG 584 Ca 0.22 -0.05 0.03 0.00 0.07 0.00 0.00 59.98 60.25 2qsg h ARG 584 Cb 0.21 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.03 2qsg h ARG 584 CO -0.21 0.57 -0.10 0.35 -1.07 0.00 0.00 179.97 179.51 2qsg h PHE 585 N 0.89 -0.24 0.00 3.04 3.04 -0.71 -0.68 116.94 122.28 2qsg h PHE 585 Ca 0.24 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.20 2qsg h PHE 585 Cb -0.10 0.12 0.00 0.00 2.56 0.00 0.00 35.95 38.53 2qsg h PHE 585 CO -0.03 -0.15 0.00 1.28 -2.02 0.00 0.00 178.31 177.39 2qsg n LEU 586 N -5.24 0.00 -0.08 0.59 4.77 -0.75 -4.84 117.00 111.45 2qsg n LEU 586 Ca -0.04 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.93 2qsg n LEU 586 Cb 0.16 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.24 2qsg n LEU 586 CO 0.25 0.00 -0.01 0.61 -1.33 0.00 0.00 177.39 176.91 2qsg n GLY 587 N 0.02 0.08 3.85 -0.72 0.00 -0.26 -4.91 105.19 103.25 2qsg n GLY 587 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 2qsg n GLY 587 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qsg s VAL 588 N -0.74 4.61 0.02 1.61 0.11 -1.19 -5.00 120.40 119.81 2qsg s VAL 588 Ca 0.00 1.05 -0.30 0.00 -2.93 0.00 0.00 61.98 59.79 2qsg s VAL 588 Cb 0.00 -3.73 -0.05 0.00 -1.53 0.00 0.00 36.38 31.07 2qsg s VAL 588 CO 0.00 -0.65 1.33 -0.70 -3.33 0.00 0.00 175.10 171.76 2qsg s GLU 589 N -4.02 4.32 0.00 1.54 2.56 -1.26 -4.77 118.70 117.08 2qsg s GLU 589 Ca 0.57 1.90 0.00 0.00 0.00 0.00 0.00 54.97 57.43 2qsg s GLU 589 Cb -0.10 -3.49 0.00 0.00 2.00 0.00 0.00 34.13 32.54 2qsg s GLU 589 CO 0.32 -0.48 0.00 1.97 -0.56 0.00 0.00 175.26 176.50 2qsg n PHE 590 N 4.93 -0.34 -3.69 5.30 1.16 -1.26 -4.67 117.46 118.89 2qsg n PHE 590 Ca 0.12 0.00 -0.12 0.00 -1.87 0.00 0.00 57.45 55.58 2qsg n PHE 590 Cb 0.44 0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 38.22 2qsg n PHE 590 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2qsg s ALA 591 N -1.65 -1.30 0.43 1.98 0.00 -0.67 -4.55 121.76 115.99 2qsg s ALA 591 Ca 0.00 1.62 -0.24 0.00 0.00 0.00 0.00 51.96 53.34 2qsg s ALA 591 Cb 0.00 -0.96 -0.08 0.00 0.00 0.00 0.00 23.12 22.09 2qsg s ALA 591 CO 0.00 -0.27 1.16 -2.14 0.00 0.00 0.00 175.76 174.51 2qsg s PRO 592 N 0.78 3.89 -0.29 0.00 0.02 -1.26 0.08 135.00 138.22 2qsg s PRO 592 Ca -0.04 1.78 -0.09 0.00 0.02 0.00 0.00 61.00 62.66 2qsg s PRO 592 Cb -0.05 -2.51 -0.02 0.00 0.02 0.00 0.00 34.50 31.94 2qsg s PRO 592 CO -0.06 -0.44 0.14 0.00 -0.33 0.00 0.00 177.00 176.31 2qsg s ALA 593 N -1.51 3.30 -0.63 -1.55 0.00 0.13 -0.99 121.76 120.51 2qsg s ALA 593 Ca 0.61 -1.25 -0.20 0.00 0.00 0.00 0.00 51.96 51.12 2qsg s ALA 593 Cb -0.29 -2.32 0.09 0.00 0.00 0.00 0.00 23.12 20.60 2qsg s ALA 593 CO 0.36 -0.71 0.82 0.08 0.00 0.00 0.00 175.76 176.31 2qsg s VAL 594 N 1.65 4.62 -0.10 0.00 1.01 -0.28 -2.32 120.40 124.98 2qsg s VAL 594 Ca 0.06 -0.76 0.15 0.00 0.00 0.00 0.00 61.98 61.43 2qsg s VAL 594 Cb -0.16 -4.58 -0.23 0.00 0.00 0.00 0.00 36.38 31.41 2qsg s VAL 594 CO 0.07 -1.27 0.48 0.35 0.00 0.00 0.00 175.10 174.72 2qsg n THR 595 N 5.69 1.46 -3.71 3.92 -2.24 -0.98 -1.44 114.28 116.98 2qsg n THR 595 Ca -0.06 -0.80 -0.08 0.00 -2.27 0.00 0.00 64.05 60.83 2qsg n THR 595 Cb 0.44 -0.79 0.01 0.00 -2.10 0.00 0.00 70.33 67.88 2qsg n THR 595 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2qsg n SER 596 N -2.91 -1.46 -4.22 3.42 3.41 -1.24 -4.58 113.62 106.03 2qsg n SER 596 Ca -0.21 -2.27 -0.26 0.00 -0.26 0.00 0.00 58.87 55.87 2qsg n SER 596 Cb 1.05 2.51 -0.15 0.00 -0.26 0.00 0.00 64.21 67.36 2qsg n SER 596 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2qsg s PHE 597 N -3.77 1.80 -0.19 7.33 0.40 -1.26 -0.13 117.98 122.16 2qsg s PHE 597 Ca 0.15 -0.35 -0.10 0.00 -0.60 0.00 0.00 56.93 56.04 2qsg s PHE 597 Cb -0.03 -1.15 -0.05 0.00 0.51 0.00 0.00 43.02 42.31 2qsg s PHE 597 CO 0.11 -0.01 0.12 0.21 0.70 0.00 0.00 175.22 176.36 2qsg s LYS 598 N -0.60 4.11 -0.16 0.44 2.20 0.15 -4.83 119.74 121.05 2qsg s LYS 598 Ca 0.08 -0.23 -0.05 0.00 -0.36 0.00 0.00 55.97 55.42 2qsg s LYS 598 Cb -0.08 -3.38 -0.03 0.00 -1.51 0.00 0.00 37.83 32.82 2qsg s LYS 598 CO -0.00 0.33 -0.00 -0.06 -0.36 0.00 0.00 175.35 175.26 2qsg s PHE 599 N 0.26 3.11 -2.77 4.03 0.40 -1.26 -1.12 117.98 120.62 2qsg s PHE 599 Ca 0.08 -0.12 0.00 0.00 -0.60 0.00 0.00 56.93 56.29 2qsg s PHE 599 Cb -0.11 -1.98 0.00 0.00 0.51 0.00 0.00 43.02 41.44 2qsg s PHE 599 CO -0.01 0.09 0.00 0.39 0.70 0.00 0.00 175.22 176.38 2qsg n GLU 600 N 3.36 0.00 0.00 0.44 -0.58 -1.20 -5.03 120.64 117.62 2qsg n GLU 600 Ca -0.17 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.57 2qsg n GLU 600 Cb 0.52 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.39 2qsg n GLU 600 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2qsg n ARG 601 N 0.00 0.00 -0.29 3.49 5.12 -1.26 -3.45 116.66 120.27 2qsg n ARG 601 Ca 0.00 0.00 0.17 0.00 -1.93 0.00 0.00 57.85 56.09 2qsg n ARG 601 Cb 0.00 0.00 0.44 0.00 -1.16 0.00 0.00 32.46 31.74 2qsg n ARG 601 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 2qsg h GLY 602 N 0.00 1.23 -2.75 -0.13 0.00 -2.06 -3.45 103.07 95.91 2qsg h GLY 602 Ca 0.00 -0.26 0.39 0.00 0.00 0.00 0.00 47.33 47.46 2qsg h GLY 602 CO 0.00 -0.02 0.98 -0.45 0.00 0.00 0.00 176.54 177.04 2qsg s SER 603 N -5.54 -0.01 0.00 0.19 0.15 -1.22 -5.19 113.70 102.08 2qsg s SER 603 Ca -0.09 -0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.53 2qsg s SER 603 Cb 0.24 0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.58 2qsg s SER 603 CO 0.79 -0.06 0.00 0.41 1.20 0.00 0.00 173.24 175.58 2qsg n THR 604 N -0.60 0.00 -4.40 6.45 -1.04 -1.25 -4.85 114.28 108.59 2qsg n THR 604 Ca -0.06 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.67 2qsg n THR 604 Cb 0.63 0.00 -0.12 0.00 -1.82 0.00 0.00 70.33 69.01 2qsg n THR 604 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2qsg s VAL 605 N -0.97 2.25 -0.01 12.58 1.01 -1.26 -3.25 120.40 130.75 2qsg s VAL 605 Ca 0.00 -1.87 0.01 0.00 0.00 0.00 0.00 61.98 60.12 2qsg s VAL 605 Cb 0.00 -2.03 0.00 0.00 0.00 0.00 0.00 36.38 34.36 2qsg s VAL 605 CO 0.00 -0.03 -0.05 -0.54 0.00 0.00 0.00 175.10 174.49 2qsg s LYS 606 N -2.35 0.45 0.26 2.72 1.02 -0.28 -5.02 119.74 116.54 2qsg s LYS 606 Ca 0.17 -0.16 -0.29 0.00 0.02 0.00 0.00 55.97 55.71 2qsg s LYS 606 Cb -0.09 -0.45 -0.09 0.00 -0.52 0.00 0.00 37.83 36.68 2qsg s LYS 606 CO 0.08 0.08 0.94 -1.25 -0.92 0.00 0.00 175.35 174.27 2qsg s PRO 607 N 0.06 4.78 -0.47 -1.68 0.04 -1.26 0.31 135.00 136.77 2qsg s PRO 607 Ca -0.00 1.44 -0.24 0.00 0.04 0.00 0.00 61.00 62.24 2qsg s PRO 607 Cb -0.04 -3.14 0.03 0.00 0.04 0.00 0.00 34.50 31.39 2qsg s PRO 607 CO -0.00 0.45 0.84 0.08 0.04 0.00 0.00 177.00 178.41 2qsg s VAL 608 N -1.31 4.57 -0.66 -0.36 1.01 0.82 -4.79 120.40 119.69 2qsg s VAL 608 Ca 0.44 0.46 -0.19 0.00 0.00 0.00 0.00 61.98 62.68 2qsg s VAL 608 Cb -0.24 -4.38 0.11 0.00 0.00 0.00 0.00 36.38 31.87 2qsg s VAL 608 CO 0.30 -0.81 0.82 -0.76 0.00 0.00 0.00 175.10 174.64 2qsg s LEU 609 N 3.48 5.22 0.17 3.92 1.02 -1.26 -2.33 118.68 128.90 2qsg s LEU 609 Ca 0.31 -1.49 0.25 0.00 0.02 0.00 0.00 54.13 53.22 2qsg s LEU 609 Cb -0.12 -2.33 0.54 0.00 0.02 0.00 0.00 46.19 44.30 2qsg s LEU 609 CO 0.23 -1.15 1.52 0.77 0.02 0.00 0.00 176.35 177.74 2qsg h SER 610 N 9.14 0.00 0.00 2.29 4.64 -1.85 -3.48 113.55 124.29 2qsg h SER 610 Ca -0.22 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 2qsg h SER 610 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 2qsg h SER 610 CO 1.10 0.06 0.00 0.61 -0.87 0.00 0.00 176.83 177.72 2qsg n GLY 611 N 1.31 -0.82 3.21 -0.77 0.00 -1.25 -2.10 105.19 104.77 2qsg n GLY 611 Ca 0.04 -0.20 -0.24 0.00 0.00 0.00 0.00 46.02 45.62 2qsg n GLY 611 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qsg s ILE 612 N -4.00 1.48 -0.21 -0.61 -1.09 0.27 0.18 121.20 117.21 2qsg s ILE 612 Ca 0.00 -1.11 -0.04 0.00 -2.23 0.00 0.00 60.65 57.27 2qsg s ILE 612 Cb 0.00 -1.30 -0.01 0.00 -1.58 0.00 0.00 42.46 39.57 2qsg s ILE 612 CO 0.00 0.15 -0.04 -0.69 -1.23 0.00 0.00 174.94 173.13 2qsg s VAL 613 N -0.80 3.50 0.10 2.92 1.01 0.11 0.61 120.40 127.86 2qsg s VAL 613 Ca 0.06 -0.46 0.03 0.00 0.00 0.00 0.00 61.98 61.61 2qsg s VAL 613 Cb -0.08 -2.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.68 2qsg s VAL 613 CO 0.02 0.43 -0.09 0.68 0.00 0.00 0.00 175.10 176.14 2qsg s VAL 614 N 1.25 0.88 0.28 2.92 -7.23 -0.75 -1.67 120.40 116.07 2qsg s VAL 614 Ca 0.03 -1.74 -0.30 0.00 -1.81 0.00 0.00 61.98 58.16 2qsg s VAL 614 Cb -0.14 -1.46 -0.13 0.00 0.56 0.00 0.00 36.38 35.20 2qsg s VAL 614 CO -0.01 -0.66 1.32 0.00 -0.31 0.00 0.00 175.10 175.44 2qsg n ALA 615 N 0.35 0.98 -0.27 1.32 0.00 -1.26 -0.15 120.51 121.49 2qsg n ALA 615 Ca -0.15 0.39 0.21 0.00 0.00 0.00 0.00 53.44 53.89 2qsg n ALA 615 Cb 0.59 -2.23 0.52 0.00 0.00 0.00 0.00 19.45 18.32 2qsg n ALA 615 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2qsg h LYS 616 N 3.39 0.38 0.00 0.00 1.57 -1.67 -0.50 116.57 119.73 2qsg h LYS 616 Ca -0.45 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 2qsg h LYS 616 Cb 1.29 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.51 2qsg h LYS 616 CO 0.69 0.25 0.00 -2.67 -0.57 0.00 0.00 179.45 177.15 2qsg n TRP 617 N -4.52 0.00 0.42 -1.35 2.14 -1.26 -2.04 117.44 110.82 2qsg n TRP 617 Ca 0.21 0.00 0.05 0.00 2.07 0.00 0.00 57.50 59.83 2qsg n TRP 617 Cb 0.76 -0.06 0.03 0.00 -0.81 0.00 0.00 31.31 31.23 2qsg n TRP 617 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 2qsg n LEU 618 N -1.06 1.64 0.16 5.67 4.77 -0.20 -4.73 117.00 123.25 2qsg n LEU 618 Ca 0.14 -0.93 -0.14 0.00 -0.03 0.00 0.00 56.01 55.05 2qsg n LEU 618 Cb 0.09 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.11 2qsg n LEU 618 CO 0.12 0.32 0.69 -0.09 -1.33 0.00 0.00 177.39 177.11 2qsg h ARG 619 N 1.69 -0.51 -0.21 3.23 2.43 -1.47 -0.36 114.38 119.18 2qsg h ARG 619 Ca 0.00 0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.12 2qsg h ARG 619 Cb 0.39 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 2qsg h ARG 619 CO 0.00 -0.34 -0.22 1.05 -1.51 0.00 0.00 179.97 178.95 2qsg h GLU 620 N -0.53 0.38 -0.31 0.20 4.11 -1.85 0.28 114.58 116.86 2qsg h GLU 620 Ca 0.00 -0.13 0.02 0.00 0.07 0.00 0.00 59.36 59.32 2qsg h GLU 620 Cb 0.51 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 2qsg h GLU 620 CO -0.08 0.59 0.17 0.00 0.07 0.00 0.00 179.01 179.75 2qsg h ALA 621 N 1.43 0.39 -0.10 1.06 0.00 -1.81 -0.75 119.26 119.48 2qsg h ALA 621 Ca 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2qsg h ALA 621 Cb 0.58 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 2qsg h ALA 621 CO 0.04 -0.21 0.02 0.82 0.00 0.00 0.00 179.25 179.93 2qsg h ILE 622 N 0.34 1.19 -0.59 0.00 1.08 -0.35 -1.74 117.51 117.45 2qsg h ILE 622 Ca 0.13 -0.59 0.05 0.00 -0.39 0.00 0.00 64.86 64.06 2qsg h ILE 622 Cb 0.03 1.40 -0.03 0.00 -3.07 0.00 0.00 36.82 35.15 2qsg h ILE 622 CO -0.08 0.17 0.39 -0.33 -0.69 0.00 0.00 178.15 177.61 2qsg h GLU 623 N -0.05 0.58 0.48 2.37 5.08 -0.39 0.22 114.58 122.87 2qsg h GLU 623 Ca 0.03 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 2qsg h GLU 623 Cb 0.24 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2qsg h GLU 623 CO 0.00 0.38 -0.23 1.15 -1.00 0.00 0.00 179.01 179.31 2qsg h THR 624 N 0.60 0.45 -0.18 1.13 2.02 -0.97 -1.37 112.91 114.59 2qsg h THR 624 Ca 0.25 -0.34 0.05 0.00 0.77 0.00 0.00 66.41 67.14 2qsg h THR 624 Cb 0.23 0.59 -0.07 0.00 -1.74 0.00 0.00 68.15 67.16 2qsg h THR 624 CO -0.07 0.05 -0.32 0.00 0.37 0.00 0.00 175.52 175.56 2qsg h ALA 625 N -0.49 -0.33 -0.81 6.16 0.00 -0.62 -0.37 119.26 122.79 2qsg h ALA 625 Ca -0.07 0.04 0.20 0.00 0.00 0.00 0.00 54.91 55.08 2qsg h ALA 625 Cb 0.59 0.62 -0.13 0.00 0.00 0.00 0.00 17.79 18.86 2qsg h ALA 625 CO 0.11 -0.78 0.14 0.82 0.00 0.00 0.00 179.25 179.55 2qsg h ILE 626 N -0.36 0.37 -0.58 0.00 2.04 -0.64 -0.08 117.51 118.26 2qsg h ILE 626 Ca 0.11 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.90 2qsg h ILE 626 Cb 0.54 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 36.75 2qsg h ILE 626 CO -0.38 0.03 0.36 -0.78 0.00 0.00 0.00 178.15 177.38 2qsg h ASP 627 N 0.19 0.67 -1.42 1.72 3.58 0.09 -3.04 116.42 118.21 2qsg h ASP 627 Ca 0.48 -0.03 -0.65 0.00 0.42 0.00 0.00 57.03 57.25 2qsg h ASP 627 Cb 0.89 -0.17 -0.35 0.00 1.72 0.00 0.00 39.33 41.42 2qsg h ASP 627 CO -0.63 0.51 0.08 0.61 -2.88 0.00 0.00 179.24 176.93 2qsg n GLY 628 N -1.39 5.92 0.24 -0.78 0.00 -0.07 -4.78 105.19 104.32 2qsg n GLY 628 Ca 0.05 -2.58 -0.02 0.00 0.00 0.00 0.00 46.02 43.47 2qsg n GLY 628 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2qsg h ILE 629 N 2.05 1.25 0.00 -0.61 6.09 -1.35 -1.98 117.51 122.96 2qsg h ILE 629 Ca 0.45 -1.15 0.00 0.00 -1.37 0.00 0.00 64.86 62.79 2qsg h ILE 629 Cb 0.75 1.28 0.00 0.00 0.47 0.00 0.00 36.82 39.32 2qsg h ILE 629 CO 1.14 0.37 0.00 -1.84 -3.07 0.00 0.00 178.15 174.75 2qsg n GLU 630 N -4.16 0.03 -0.00 2.19 0.28 -1.26 -0.64 120.64 117.08 2qsg n GLU 630 Ca -0.00 0.34 0.08 0.00 -0.16 0.00 0.00 57.16 57.42 2qsg n GLU 630 Cb 0.37 -1.50 -0.11 0.00 1.43 0.00 0.00 31.44 31.62 2qsg n GLU 630 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 2qsg n PHE 631 N -1.39 0.00 1.99 -1.84 3.01 -0.75 -5.29 117.46 113.19 2qsg n PHE 631 Ca 0.02 0.00 0.16 0.00 1.01 0.00 0.00 57.45 58.63 2qsg n PHE 631 Cb 0.04 -0.23 0.94 0.00 -0.01 0.00 0.00 39.48 40.22 2qsg n PHE 631 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88