#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y1u n GLN 139 N 0.00 0.29 0.22 -1.46 -0.06 -1.26 -4.00 117.38 111.11 1y1u n GLN 139 Ca 0.00 0.13 0.11 0.00 -2.00 0.00 0.00 57.00 55.24 1y1u n GLN 139 Cb 0.00 -0.99 0.35 0.00 -4.06 0.00 0.00 30.24 25.55 1y1u n GLN 139 CO 0.00 0.00 0.00 0.87 -0.20 0.00 0.00 177.06 177.73 1y1u h LYS 140 N -0.50 0.00 0.00 3.69 6.56 -2.07 -2.56 116.57 121.70 1y1u h LYS 140 Ca -0.30 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.28 1y1u h LYS 140 Cb 1.19 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.84 1y1u h LYS 140 CO -0.18 0.14 -0.09 0.45 -2.06 0.00 0.00 179.45 177.71 1y1u h HIS 141 N 0.00 0.00 0.00 -1.35 3.86 -2.02 -3.27 115.15 112.38 1y1u h HIS 141 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1y1u h HIS 141 Cb 0.87 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.34 1y1u h HIS 141 CO 0.00 0.62 0.00 1.28 0.86 0.00 0.00 177.93 180.69 1y1u n LEU 142 N -4.66 0.21 -0.11 2.43 7.99 -1.15 -0.36 117.00 121.35 1y1u n LEU 142 Ca -0.07 -0.10 -0.17 0.00 -0.01 0.00 0.00 56.01 55.65 1y1u n LEU 142 Cb 0.30 -0.10 -0.13 0.00 -0.11 0.00 0.00 43.42 43.38 1y1u n LEU 142 CO 0.20 0.05 -1.25 1.67 -1.51 0.00 0.00 177.39 176.55 1y1u n GLN 143 N 0.04 0.67 0.20 3.23 7.27 -0.97 -4.42 117.38 123.39 1y1u n GLN 143 Ca 0.00 0.14 0.08 0.00 0.07 0.00 0.00 57.00 57.29 1y1u n GLN 143 Cb 0.05 -1.55 0.27 0.00 2.41 0.00 0.00 30.24 31.42 1y1u n GLN 143 CO 0.00 0.00 0.00 -0.84 0.07 0.00 0.00 177.06 176.29 1y1u h ILE 144 N 0.01 0.55 0.00 1.69 3.07 -0.78 -2.56 117.51 119.48 1y1u h ILE 144 Ca -0.55 -1.46 -0.00 0.00 1.55 0.00 0.00 64.86 64.40 1y1u h ILE 144 Cb 1.97 2.02 -0.00 0.00 -0.27 0.00 0.00 36.82 40.54 1y1u h ILE 144 CO -0.05 0.27 -0.00 0.78 -1.05 0.00 0.00 178.15 178.10 1y1u h ASN 145 N 0.00 0.00 0.00 2.16 2.35 -1.73 -0.36 115.58 118.01 1y1u h ASN 145 Ca -0.00 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.68 1y1u h ASN 145 Cb 1.00 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.36 1y1u h ASN 145 CO 0.04 0.00 -0.64 1.56 -1.65 0.00 0.00 177.43 176.74 1y1u h GLN 146 N 0.00 0.00 -0.75 0.81 4.20 -1.72 -3.23 115.11 114.43 1y1u h GLN 146 Ca -0.00 0.00 0.22 0.00 0.06 0.00 0.00 58.65 58.93 1y1u h GLN 146 Cb 0.19 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.94 1y1u h GLN 146 CO 0.00 0.35 0.86 -0.09 -0.67 0.00 0.00 178.83 179.28 1y1u h ARG 147 N -1.00 0.00 0.04 1.46 2.43 -1.32 0.68 114.38 116.67 1y1u h ARG 147 Ca -0.10 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.06 1y1u h ARG 147 Cb 0.71 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.26 1y1u h ARG 147 CO -0.06 0.00 -0.02 0.74 -1.51 0.00 0.00 179.97 179.12 1y1u h PHE 148 N 0.00 -0.05 0.00 2.20 0.05 -1.22 -3.01 116.94 114.91 1y1u h PHE 148 Ca 0.36 -0.00 0.00 0.00 3.82 0.00 0.00 57.97 62.14 1y1u h PHE 148 Cb 2.07 0.02 0.00 0.00 2.00 0.00 0.00 35.95 40.04 1y1u h PHE 148 CO 0.00 0.61 0.00 -0.85 -0.18 0.00 0.00 178.31 177.89 1y1u n GLU 149 N -4.76 0.10 0.14 1.51 0.28 0.21 0.14 120.64 118.27 1y1u n GLU 149 Ca -0.08 0.26 -0.06 0.00 -0.16 0.00 0.00 57.16 57.12 1y1u n GLU 149 Cb 0.33 -1.67 -0.03 0.00 1.43 0.00 0.00 31.44 31.51 1y1u n GLU 149 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 1y1u h GLU 150 N 0.00 -0.39 -1.16 3.44 4.39 -1.00 -2.80 114.58 117.07 1y1u h GLU 150 Ca 0.00 0.03 0.42 0.00 0.34 0.00 0.00 59.36 60.15 1y1u h GLU 150 Cb 0.40 0.09 -0.16 0.00 -0.10 0.00 0.00 28.75 28.98 1y1u h GLU 150 CO 0.00 -0.26 0.69 -0.07 -1.16 0.00 0.00 179.01 178.21 1y1u h LEU 151 N -0.80 0.30 0.49 1.33 3.38 -1.27 0.45 115.31 119.19 1y1u h LEU 151 Ca -0.04 0.20 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 1y1u h LEU 151 Cb 0.31 0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1y1u h LEU 151 CO 0.07 -0.30 -0.23 -0.09 0.09 0.00 0.00 178.44 177.97 1y1u h ARG 152 N 0.07 -0.63 -0.16 1.13 9.65 -0.34 -0.07 114.38 124.02 1y1u h ARG 152 Ca 0.83 0.04 -0.10 0.00 -1.10 0.00 0.00 59.98 59.66 1y1u h ARG 152 Cb 2.37 0.14 -0.00 0.00 -1.39 0.00 0.00 29.97 31.09 1y1u h ARG 152 CO -0.60 -0.36 -0.27 1.37 2.80 0.00 0.00 179.97 182.91 1y1u h LEU 153 N -0.80 0.51 -0.51 3.80 8.10 -0.36 0.48 115.31 126.53 1y1u h LEU 153 Ca -0.07 -0.54 0.08 0.00 0.11 0.00 0.00 57.88 57.46 1y1u h LEU 153 Cb 0.57 -0.15 -0.06 0.00 -0.44 0.00 0.00 40.66 40.58 1y1u h LEU 153 CO 0.11 0.95 0.16 -0.29 -4.11 0.00 0.00 178.44 175.27 1y1u h ILE 154 N 0.09 0.79 -0.64 0.15 6.09 -0.37 0.12 117.51 123.74 1y1u h ILE 154 Ca 0.01 -0.11 -0.00 0.00 -1.37 0.00 0.00 64.86 63.39 1y1u h ILE 154 Cb 0.86 0.44 -0.03 0.00 0.47 0.00 0.00 36.82 38.55 1y1u h ILE 154 CO 0.06 0.06 0.39 0.74 -3.07 0.00 0.00 178.15 176.33 1y1u h THR 155 N 0.33 1.18 0.00 2.19 2.02 -0.81 -2.59 112.91 115.23 1y1u h THR 155 Ca 0.25 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 67.04 1y1u h THR 155 Cb 0.29 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 66.97 1y1u h THR 155 CO -0.27 0.19 0.00 1.67 0.37 0.00 0.00 175.52 177.47 1y1u n GLN 156 N -4.41 0.17 -0.06 6.66 -0.06 0.17 -2.78 117.38 117.07 1y1u n GLN 156 Ca 0.06 0.26 -0.01 0.00 -2.00 0.00 0.00 57.00 55.31 1y1u n GLN 156 Cb 0.07 -1.75 -0.14 0.00 -4.06 0.00 0.00 30.24 24.36 1y1u n GLN 156 CO 0.00 0.00 0.00 -0.40 -0.20 0.00 0.00 177.06 176.46 1y1u n ASP 157 N -2.04 0.66 -0.37 1.69 3.85 -0.09 -4.15 116.55 116.08 1y1u n ASP 157 Ca 0.04 0.00 0.02 0.00 -0.71 0.00 0.00 54.79 54.14 1y1u n ASP 157 Cb 0.31 1.31 0.17 0.00 -1.35 0.00 0.00 41.12 41.56 1y1u n ASP 157 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.20 176.90 1y1u h THR 158 N 0.00 1.11 -0.00 2.12 1.35 -1.29 0.33 112.91 116.54 1y1u h THR 158 Ca -0.28 -0.41 0.00 0.00 -0.55 0.00 0.00 66.41 65.16 1y1u h THR 158 Cb 1.59 -0.20 0.00 0.00 -1.73 0.00 0.00 68.15 67.82 1y1u h THR 158 CO 0.02 0.22 -0.00 -1.84 -0.25 0.00 0.00 175.52 173.66 1y1u n GLU 159 N -4.48 0.76 0.12 4.72 0.00 -1.23 -0.25 120.64 120.28 1y1u n GLU 159 Ca 0.15 -0.02 -0.20 0.00 0.00 0.00 0.00 57.16 57.08 1y1u n GLU 159 Cb 0.16 -1.50 -0.14 0.00 0.00 0.00 0.00 31.44 29.95 1y1u n GLU 159 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.13 176.22 1y1u h ASN 160 N 0.05 0.67 0.32 -1.84 2.35 -0.58 -1.93 115.58 114.63 1y1u h ASN 160 Ca 0.00 -0.70 -0.02 0.00 -0.55 0.00 0.00 56.30 55.04 1y1u h ASN 160 Cb 0.14 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.30 1y1u h ASN 160 CO 0.00 1.54 -0.16 -0.33 -1.65 0.00 0.00 177.43 176.83 1y1u h GLU 161 N 0.14 -0.42 -0.69 0.81 3.07 -0.98 -3.20 114.58 113.31 1y1u h GLU 161 Ca -0.19 0.03 0.14 0.00 -0.50 0.00 0.00 59.36 58.84 1y1u h GLU 161 Cb 2.04 0.10 -0.10 0.00 -0.84 0.00 0.00 28.75 29.94 1y1u h GLU 161 CO 0.24 -0.17 0.13 1.25 -1.40 0.00 0.00 179.01 179.06 1y1u h LEU 162 N -0.61 -0.05 0.48 1.33 7.12 -0.64 0.34 115.31 123.28 1y1u h LEU 162 Ca -0.04 0.14 -0.02 0.00 0.13 0.00 0.00 57.88 58.08 1y1u h LEU 162 Cb 0.44 0.20 0.00 0.00 -0.53 0.00 0.00 40.66 40.78 1y1u h LEU 162 CO 0.07 -0.04 -0.23 0.50 -0.13 0.00 0.00 178.44 178.61 1y1u h LYS 163 N 0.24 -0.62 -0.37 1.25 3.11 -1.45 -1.29 116.57 117.43 1y1u h LYS 163 Ca 0.38 0.04 -0.10 0.00 -2.81 0.00 0.00 60.65 58.16 1y1u h LYS 163 Cb 0.62 0.14 -0.01 0.00 -1.00 0.00 0.00 32.23 31.98 1y1u h LYS 163 CO -0.49 -0.40 -0.16 1.57 -2.81 0.00 0.00 179.45 177.15 1y1u h LYS 164 N -0.68 0.77 0.00 1.90 2.10 -1.37 -0.06 116.57 119.24 1y1u h LYS 164 Ca -0.07 -0.33 0.00 0.00 -2.00 0.00 0.00 60.65 58.25 1y1u h LYS 164 Cb 0.51 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.82 1y1u h LYS 164 CO 0.11 0.95 0.14 -0.11 -2.00 0.00 0.00 179.45 178.53 1y1u n LEU 165 N -4.30 0.26 -0.03 7.07 -0.00 0.11 0.46 117.00 120.57 1y1u n LEU 165 Ca -0.02 0.54 0.03 0.00 -0.00 0.00 0.00 56.01 56.57 1y1u n LEU 165 Cb 0.40 -0.55 -0.14 0.00 -0.00 0.00 0.00 43.42 43.13 1y1u n LEU 165 CO 0.44 -0.63 -0.84 1.67 -0.00 0.00 0.00 177.39 178.02 1y1u n GLN 166 N -1.83 0.76 -0.04 1.96 0.00 -0.28 -3.28 117.38 114.67 1y1u n GLN 166 Ca -0.01 -0.12 -0.11 0.00 -0.00 0.00 0.00 57.00 56.76 1y1u n GLN 166 Cb 0.15 -1.45 -0.06 0.00 0.00 0.00 0.00 30.24 28.89 1y1u n GLN 166 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.06 179.02 1y1u h GLN 167 N 0.00 0.23 -0.02 3.69 4.20 0.17 -2.23 115.11 121.15 1y1u h GLN 167 Ca -0.16 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.50 1y1u h GLN 167 Cb 1.27 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 29.02 1y1u h GLN 167 CO 0.01 0.39 -0.03 1.15 -0.67 0.00 0.00 178.83 179.68 1y1u h THR 168 N 0.03 0.00 -0.89 -0.54 2.02 -0.55 -0.12 112.91 112.86 1y1u h THR 168 Ca 0.04 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.39 1y1u h THR 168 Cb 0.27 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 66.52 1y1u h THR 168 CO 0.00 0.00 -0.29 1.56 0.37 0.00 0.00 175.52 177.16 1y1u h GLN 169 N -0.02 -0.02 -0.90 6.66 4.20 -1.61 0.33 115.11 123.74 1y1u h GLN 169 Ca 0.00 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.76 1y1u h GLN 169 Cb 0.03 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 27.76 1y1u h GLN 169 CO -0.03 -0.02 0.59 1.49 -0.67 0.00 0.00 178.83 180.19 1y1u h GLU 170 N -0.02 1.07 0.06 1.46 4.57 -0.75 0.16 114.58 121.14 1y1u h GLU 170 Ca 0.38 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.49 1y1u h GLU 170 Cb 0.63 -0.24 0.00 0.00 -0.16 0.00 0.00 28.75 28.97 1y1u h GLU 170 CO -0.91 0.71 -0.03 -0.92 -1.18 0.00 0.00 179.01 176.68 1y1u h TYR 171 N 1.10 -0.08 -1.08 0.92 -0.00 0.69 -3.13 116.97 115.39 1y1u h TYR 171 Ca 0.37 -0.00 0.34 0.00 -0.00 0.00 0.00 58.73 59.43 1y1u h TYR 171 Cb 0.06 0.03 -0.14 0.00 -0.00 0.00 0.00 36.73 36.68 1y1u h TYR 171 CO -0.00 0.34 0.65 0.35 -0.00 0.00 0.00 178.16 179.49 1y1u h PHE 172 N -0.97 0.80 -0.53 -3.82 3.57 -0.25 0.34 116.94 116.06 1y1u h PHE 172 Ca -0.01 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.42 1y1u h PHE 172 Cb 0.45 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 1y1u h PHE 172 CO 0.10 -0.15 -0.07 0.82 -2.23 0.00 0.00 178.31 176.78 1y1u h ILE 173 N 0.28 1.26 0.00 1.41 2.04 -0.70 -1.22 117.51 120.58 1y1u h ILE 173 Ca 0.74 -1.20 0.00 0.00 1.00 0.00 0.00 64.86 65.39 1y1u h ILE 173 Cb 1.86 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 38.87 1y1u h ILE 173 CO -0.52 0.43 0.00 0.00 0.00 0.00 0.00 178.15 178.05 1y1u n ILE 174 N -4.16 0.60 0.02 -0.67 0.13 0.11 -2.61 119.36 112.78 1y1u n ILE 174 Ca 0.02 -0.03 -0.06 0.00 -1.10 0.00 0.00 62.75 61.58 1y1u n ILE 174 Cb 0.37 -0.77 -0.04 0.00 -0.84 0.00 0.00 39.64 38.36 1y1u n ILE 174 CO 0.00 0.00 0.00 1.56 2.80 0.00 0.00 176.55 180.91 1y1u h GLN 175 N 0.00 -0.16 -0.49 9.51 1.08 -0.69 0.20 115.11 124.56 1y1u h GLN 175 Ca 0.00 0.01 0.19 0.00 -1.45 0.00 0.00 58.65 57.41 1y1u h GLN 175 Cb 0.54 0.04 -0.08 0.00 -0.05 0.00 0.00 27.48 27.93 1y1u h GLN 175 CO 0.00 0.09 0.28 0.98 -0.95 0.00 0.00 178.83 179.23 1y1u n TYR 176 N -4.87 0.47 -0.05 2.96 -0.00 -0.52 0.19 117.16 115.34 1y1u n TYR 176 Ca -0.04 0.47 -0.22 0.00 -0.00 0.00 0.00 57.90 58.11 1y1u n TYR 176 Cb 0.16 -0.90 -0.13 0.00 -0.00 0.00 0.00 39.34 38.47 1y1u n TYR 176 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.86 177.90 1y1u n GLN 177 N -3.89 0.69 -0.07 2.98 6.02 -1.07 -2.50 117.38 119.53 1y1u n GLN 177 Ca 0.17 0.33 0.18 0.00 -0.01 0.00 0.00 57.00 57.68 1y1u n GLN 177 Cb 0.61 -1.68 0.62 0.00 1.02 0.00 0.00 30.24 30.80 1y1u n GLN 177 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 1y1u h GLU 178 N -0.28 0.16 0.58 -1.09 4.57 0.20 0.19 114.58 118.91 1y1u h GLU 178 Ca -0.44 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 57.70 1y1u h GLU 178 Cb 1.80 -0.04 0.01 0.00 -0.16 0.00 0.00 28.75 30.36 1y1u h GLU 178 CO -0.04 0.11 -0.28 1.03 -1.18 0.00 0.00 179.01 178.65 1y1u h SER 179 N 0.17 -0.66 -0.81 1.04 0.87 -0.33 -1.92 113.55 111.91 1y1u h SER 179 Ca 0.30 -0.02 0.22 0.00 -1.23 0.00 0.00 61.79 61.07 1y1u h SER 179 Cb 0.96 0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 63.05 1y1u h SER 179 CO -0.05 -0.26 0.57 -0.07 -0.53 0.00 0.00 176.83 176.49 1y1u h LEU 180 N -1.15 0.11 0.42 2.23 4.07 -1.14 -2.52 115.31 117.34 1y1u h LEU 180 Ca -0.08 0.01 -0.02 0.00 0.08 0.00 0.00 57.88 57.87 1y1u h LEU 180 Cb 0.63 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.36 1y1u h LEU 180 CO 0.13 0.05 -0.20 -0.09 -1.08 0.00 0.00 178.44 177.24 1y1u h ARG 181 N 0.12 -0.55 -1.11 1.13 9.65 -0.45 -2.69 114.38 120.47 1y1u h ARG 181 Ca 0.40 0.04 0.00 0.00 -1.10 0.00 0.00 59.98 59.31 1y1u h ARG 181 Cb 1.39 0.12 0.00 0.00 -1.39 0.00 0.00 29.97 30.09 1y1u h ARG 181 CO -0.05 -0.36 0.00 0.44 2.80 0.00 0.00 179.97 182.80 1y1u n ILE 182 N -3.81 0.39 0.03 1.20 -5.35 -0.74 -2.90 119.36 108.18 1y1u n ILE 182 Ca -0.07 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.41 1y1u n ILE 182 Cb 0.22 -0.62 0.00 0.00 -1.74 0.00 0.00 39.64 37.50 1y1u n ILE 182 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1y1u n GLN 183 N 0.52 0.00 0.00 6.28 1.13 -1.13 -4.44 117.38 119.74 1y1u n GLN 183 Ca 0.00 0.00 0.04 0.00 -1.94 0.00 0.00 57.00 55.10 1y1u n GLN 183 Cb 0.25 -0.45 0.22 0.00 0.11 0.00 0.00 30.24 30.37 1y1u n GLN 183 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1y1u n ALA 184 N -3.20 1.95 0.57 -1.58 0.00 -1.02 -0.59 120.51 116.64 1y1u n ALA 184 Ca 0.00 -0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.52 1y1u n ALA 184 Cb 0.25 -1.12 0.34 0.00 0.00 0.00 0.00 19.45 18.92 1y1u n ALA 184 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1y1u h GLN 185 N 0.00 0.00 0.04 0.00 1.08 -1.75 -3.19 115.11 111.29 1y1u h GLN 185 Ca 0.00 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.10 1y1u h GLN 185 Cb 0.00 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.44 1y1u h GLN 185 CO 0.00 0.00 -0.42 0.74 -0.95 0.00 0.00 178.83 178.20 1y1u h PHE 186 N 0.00 0.35 0.00 2.96 0.05 -1.11 -3.03 116.94 116.16 1y1u h PHE 186 Ca 0.00 -0.22 0.00 0.00 3.82 0.00 0.00 57.97 61.57 1y1u h PHE 186 Cb 0.77 -0.03 0.00 0.00 2.00 0.00 0.00 35.95 38.69 1y1u h PHE 186 CO 0.00 1.09 0.00 0.00 -0.18 0.00 0.00 178.31 179.22 1y1u n ALA 187 N -2.60 1.14 -0.02 2.45 0.00 -1.24 -2.34 120.51 117.90 1y1u n ALA 187 Ca -0.11 0.08 0.03 0.00 0.00 0.00 0.00 53.44 53.44 1y1u n ALA 187 Cb 0.62 -1.17 0.08 0.00 0.00 0.00 0.00 19.45 18.97 1y1u n ALA 187 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1y1u n GLN 188 N -1.84 2.26 0.00 0.00 6.02 -1.21 -4.44 117.38 118.17 1y1u n GLN 188 Ca -0.00 -1.63 0.11 0.00 -0.01 0.00 0.00 57.00 55.47 1y1u n GLN 188 Cb 0.05 -1.15 0.65 0.00 1.02 0.00 0.00 30.24 30.80 1y1u n GLN 188 CO 0.00 0.00 0.00 1.47 -1.01 0.00 0.00 177.06 177.52 1y1u n LEU 189 N 0.17 0.00 0.32 1.08 -0.00 -0.99 -3.89 117.00 113.69 1y1u n LEU 189 Ca 0.06 0.02 0.16 0.00 -0.00 0.00 0.00 56.01 56.25 1y1u n LEU 189 Cb 0.31 -0.02 0.85 0.00 -0.00 0.00 0.00 43.42 44.57 1y1u n LEU 189 CO 0.05 -0.00 1.11 1.23 -0.00 0.00 0.00 177.39 179.77 1y1u h GLY 190 N 3.45 0.00 -7.24 1.47 0.00 -1.80 -3.20 103.07 95.75 1y1u h GLY 190 Ca 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 47.33 46.70 1y1u h GLY 190 CO 0.00 0.00 0.52 1.20 0.00 0.00 0.00 176.54 178.26 1y1u s GLN 191 N -4.05 3.12 -0.25 4.80 -0.21 -1.25 -5.00 119.66 116.82 1y1u s GLN 191 Ca -0.03 -0.82 -0.04 0.00 0.02 0.00 0.00 55.36 54.48 1y1u s GLN 191 Cb 0.09 -4.22 0.09 0.00 1.00 0.00 0.00 33.01 29.97 1y1u s GLN 191 CO 0.28 -1.78 0.11 -1.17 -2.12 0.00 0.00 175.29 170.62 1y1u s LEU 192 N 3.99 0.59 0.00 2.90 0.20 -1.21 -5.01 118.68 120.14 1y1u s LEU 192 Ca 0.22 -1.09 0.00 0.00 0.69 0.00 0.00 54.13 53.95 1y1u s LEU 192 Cb -0.17 -0.35 0.00 0.00 -0.43 0.00 0.00 46.19 45.24 1y1u s LEU 192 CO 0.10 -0.41 0.00 -0.46 -0.29 0.00 0.00 176.35 175.30 1y1u n ASN 193 N 5.23 -0.02 0.00 3.68 0.23 -1.26 -4.97 115.26 118.16 1y1u n ASN 193 Ca -0.06 -0.01 0.00 0.00 -0.53 0.00 0.00 54.58 53.98 1y1u n ASN 193 Cb 0.44 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.14 1y1u n ASN 193 CO 0.00 0.00 0.00 -0.81 -0.93 0.00 0.00 177.26 175.52 1y1u n PRO 194 N -0.02 0.00 -0.02 -0.53 -0.05 -1.26 -4.47 135.00 128.65 1y1u n PRO 194 Ca 0.00 0.00 -0.04 0.00 -0.05 0.00 0.00 63.50 63.41 1y1u n PRO 194 Cb 0.00 -0.13 0.18 0.00 -0.05 0.00 0.00 33.50 33.50 1y1u n PRO 194 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 175.50 177.41 1y1u h GLN 195 N 0.00 0.58 0.00 0.54 4.20 -2.00 -3.09 115.11 115.34 1y1u h GLN 195 Ca 0.00 -0.21 -0.13 0.00 0.06 0.00 0.00 58.65 58.37 1y1u h GLN 195 Cb 0.00 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 1y1u h GLN 195 CO 0.00 0.75 -0.62 0.93 -0.67 0.00 0.00 178.83 179.22 1y1u h GLU 196 N 0.51 0.00 -0.29 1.46 3.07 -1.94 -0.22 114.58 117.18 1y1u h GLU 196 Ca 0.08 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.94 1y1u h GLU 196 Cb 0.64 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.55 1y1u h GLU 196 CO 0.05 0.62 0.00 0.54 -1.40 0.00 0.00 179.01 178.82 1y1u n ARG 197 N -3.29 2.15 -0.01 2.33 1.74 -1.24 -2.03 116.66 116.31 1y1u n ARG 197 Ca 0.01 -1.90 -0.07 0.00 -0.77 0.00 0.00 57.85 55.12 1y1u n ARG 197 Cb 0.77 -1.32 -0.06 0.00 -1.02 0.00 0.00 32.46 30.83 1y1u n ARG 197 CO 0.00 0.00 0.00 0.52 -1.52 0.00 0.00 177.63 176.63 1y1u h MET 198 N 2.73 -0.09 -0.60 5.56 2.86 -1.53 -3.39 114.93 120.47 1y1u h MET 198 Ca 0.00 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1y1u h MET 198 Cb 0.73 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.41 1y1u h MET 198 CO 0.00 0.29 0.00 -1.13 1.06 0.00 0.00 176.91 177.13 1y1u n SER 199 N -4.79 0.60 0.00 1.22 3.41 -0.10 -0.87 113.62 113.09 1y1u n SER 199 Ca -0.05 -1.56 0.00 0.00 -0.26 0.00 0.00 58.87 57.00 1y1u n SER 199 Cb 0.21 -0.30 0.00 0.00 -0.26 0.00 0.00 64.21 63.86 1y1u n SER 199 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1y1u n ARG 200 N -0.03 1.98 0.19 4.33 1.74 -0.86 -4.20 116.66 119.80 1y1u n ARG 200 Ca 0.00 -0.27 0.12 0.00 -0.77 0.00 0.00 57.85 56.93 1y1u n ARG 200 Cb 0.15 -0.75 0.66 0.00 -1.02 0.00 0.00 32.46 31.51 1y1u n ARG 200 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1y1u h GLU 201 N 0.00 0.00 0.24 5.56 5.08 -1.19 -2.92 114.58 121.35 1y1u h GLU 201 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1y1u h GLU 201 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1y1u h GLU 201 CO 0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 179.01 177.89 1y1u h THR 202 N 0.00 0.00 -0.47 1.13 1.03 -1.74 -0.43 112.91 112.44 1y1u h THR 202 Ca 0.07 -0.38 0.13 0.00 -0.01 0.00 0.00 66.41 66.23 1y1u h THR 202 Cb 0.29 0.00 -0.02 0.00 -1.07 0.00 0.00 68.15 67.35 1y1u h THR 202 CO -0.00 0.00 0.34 0.00 -0.01 0.00 0.00 175.52 175.85 1y1u h ALA 203 N -1.47 2.41 0.28 0.00 0.00 -1.73 -0.20 119.26 118.55 1y1u h ALA 203 Ca -0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1y1u h ALA 203 Cb 0.25 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1y1u h ALA 203 CO 0.05 -0.58 -0.13 -0.07 0.00 0.00 0.00 179.25 178.52 1y1u h LEU 204 N 0.00 -0.32 -1.00 0.00 3.38 -1.52 -1.59 115.31 114.27 1y1u h LEU 204 Ca 0.22 -0.22 0.08 0.00 0.09 0.00 0.00 57.88 58.05 1y1u h LEU 204 Cb 0.91 0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.67 1y1u h LEU 204 CO -0.00 0.14 0.64 1.56 0.09 0.00 0.00 178.44 180.87 1y1u h GLN 205 N -0.87 1.10 -0.47 1.13 4.20 -0.28 -1.82 115.11 118.09 1y1u h GLN 205 Ca -0.04 -0.07 -0.07 0.00 0.06 0.00 0.00 58.65 58.54 1y1u h GLN 205 Cb 0.51 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 1y1u h GLN 205 CO 0.06 0.73 0.01 1.96 -0.67 0.00 0.00 178.83 180.92 1y1u h GLN 206 N 1.13 0.78 0.00 1.46 4.20 -1.12 -1.39 115.11 120.16 1y1u h GLN 206 Ca 0.45 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 58.96 1y1u h GLN 206 Cb 0.24 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.92 1y1u h GLN 206 CO -0.19 0.78 0.00 0.87 -0.67 0.00 0.00 178.83 179.61 1y1u h LYS 207 N 0.73 0.00 0.10 1.46 1.57 -0.48 -2.82 116.57 117.13 1y1u h LYS 207 Ca 0.15 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.73 1y1u h LYS 207 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1y1u h LYS 207 CO 0.02 0.00 -0.93 1.96 -0.57 0.00 0.00 179.45 179.92 1y1u h GLN 208 N 0.00 0.21 -0.79 3.15 4.20 -0.98 -2.64 115.11 118.26 1y1u h GLN 208 Ca 0.00 -0.35 0.10 0.00 0.06 0.00 0.00 58.65 58.45 1y1u h GLN 208 Cb 0.54 0.13 -0.07 0.00 0.30 0.00 0.00 27.48 28.37 1y1u h GLN 208 CO 0.00 1.17 0.44 0.28 -0.67 0.00 0.00 178.83 180.04 1y1u h VAL 209 N -0.50 0.88 -0.21 -0.54 2.07 -1.22 0.56 116.25 117.29 1y1u h VAL 209 Ca -0.19 -0.25 -0.05 0.00 0.82 0.00 0.00 66.70 67.03 1y1u h VAL 209 Cb 1.55 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 1y1u h VAL 209 CO 0.06 0.13 -0.07 0.77 0.02 0.00 0.00 177.57 178.49 1y1u h SER 210 N 0.73 0.43 0.57 0.57 4.64 -1.64 -2.99 113.55 115.86 1y1u h SER 210 Ca 0.39 -0.38 -0.03 0.00 -0.47 0.00 0.00 61.79 61.30 1y1u h SER 210 Cb 0.38 -0.12 0.01 0.00 -0.31 0.00 0.00 62.40 62.36 1y1u h SER 210 CO -0.26 0.71 -0.28 -0.07 -0.87 0.00 0.00 176.83 176.07 1y1u h LEU 211 N 0.14 -0.65 -1.82 5.97 3.38 -0.83 -1.44 115.31 120.06 1y1u h LEU 211 Ca 0.05 0.02 0.19 0.00 0.09 0.00 0.00 57.88 58.23 1y1u h LEU 211 Cb 0.53 0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 1y1u h LEU 211 CO 0.02 -0.46 0.65 -0.33 0.09 0.00 0.00 178.44 178.41 1y1u h GLU 212 N -0.77 0.00 0.26 1.13 5.08 -0.08 0.28 114.58 120.48 1y1u h GLU 212 Ca -0.08 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1y1u h GLU 212 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1y1u h GLU 212 CO 0.13 0.00 -0.13 1.15 -1.00 0.00 0.00 179.01 179.16 1y1u h THR 213 N 0.00 0.67 -0.34 1.13 2.02 -1.32 -1.01 112.91 114.06 1y1u h THR 213 Ca 0.31 -0.84 0.08 0.00 0.77 0.00 0.00 66.41 66.73 1y1u h THR 213 Cb 1.61 1.06 -0.08 0.00 -1.74 0.00 0.00 68.15 69.00 1y1u h THR 213 CO -0.00 0.15 -0.19 -0.25 0.37 0.00 0.00 175.52 175.59 1y1u h TRP 214 N -0.86 -0.49 -0.64 3.16 2.91 0.47 0.05 115.95 120.55 1y1u h TRP 214 Ca -0.04 0.04 0.07 0.00 1.13 0.00 0.00 58.89 60.10 1y1u h TRP 214 Cb 0.51 0.27 -0.06 0.00 -0.51 0.00 0.00 29.16 29.37 1y1u h TRP 214 CO 0.05 -0.27 0.33 -0.07 -1.03 0.00 0.00 178.44 177.45 1y1u h LEU 215 N -0.14 0.45 -0.46 0.65 3.38 -0.71 0.59 115.31 119.07 1y1u h LEU 215 Ca 0.17 0.04 -0.08 0.00 0.09 0.00 0.00 57.88 58.11 1y1u h LEU 215 Cb 0.41 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1y1u h LEU 215 CO -0.43 0.28 -0.03 -0.61 0.09 0.00 0.00 178.44 177.74 1y1u h GLN 216 N 0.59 0.84 -0.32 1.13 5.75 -0.81 -2.42 115.11 119.87 1y1u h GLN 216 Ca 0.30 -0.29 -0.12 0.00 -0.15 0.00 0.00 58.65 58.39 1y1u h GLN 216 Cb 0.25 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.72 1y1u h GLN 216 CO -0.22 0.91 -0.30 -0.09 -2.65 0.00 0.00 178.83 176.48 1y1u h ARG 217 N 0.69 0.68 0.00 1.69 9.65 0.42 -2.84 114.38 124.67 1y1u h ARG 217 Ca 0.13 -0.30 -0.12 0.00 -1.10 0.00 0.00 59.98 58.59 1y1u h ARG 217 Cb 0.55 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 29.10 1y1u h ARG 217 CO 0.03 0.90 -0.81 1.49 2.80 0.00 0.00 179.97 184.38 1y1u h GLU 218 N 0.58 0.00 -0.28 0.20 4.81 0.08 -3.20 114.58 116.77 1y1u h GLU 218 Ca 0.07 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.36 1y1u h GLU 218 Cb 0.80 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.13 1y1u h GLU 218 CO 0.07 0.39 -0.10 0.00 -0.73 0.00 0.00 179.01 178.63 1y1u h ALA 219 N 1.52 0.14 0.00 2.92 0.00 -1.18 0.61 119.26 123.27 1y1u h ALA 219 Ca -0.05 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1y1u h ALA 219 Cb 1.41 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.46 1y1u h ALA 219 CO 0.05 -0.50 -0.25 -0.56 0.00 0.00 0.00 179.25 177.99 1y1u h GLN 220 N -0.05 0.00 -0.13 0.00 -0.00 -1.64 0.16 115.11 113.45 1y1u h GLN 220 Ca 0.14 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.78 1y1u h GLN 220 Cb 0.26 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.73 1y1u h GLN 220 CO -0.31 0.25 0.04 1.15 -0.00 0.00 0.00 178.83 179.96 1y1u h THR 221 N 0.00 1.18 -0.74 1.86 2.02 -1.15 -0.02 112.91 116.06 1y1u h THR 221 Ca -0.00 -0.57 -0.03 0.00 0.77 0.00 0.00 66.41 66.58 1y1u h THR 221 Cb 0.57 1.32 -0.03 0.00 -1.74 0.00 0.00 68.15 68.27 1y1u h THR 221 CO 0.03 0.17 0.33 0.25 0.37 0.00 0.00 175.52 176.67 1y1u h LEU 222 N 0.02 0.97 -0.20 2.58 5.85 0.68 -1.39 115.31 123.81 1y1u h LEU 222 Ca 0.04 -0.12 -0.13 0.00 0.84 0.00 0.00 57.88 58.50 1y1u h LEU 222 Cb 0.23 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.01 1y1u h LEU 222 CO -0.00 0.84 -0.40 -0.61 -0.34 0.00 0.00 178.44 177.92 1y1u h GLN 223 N 1.05 0.62 0.62 1.25 5.75 -0.95 -2.87 115.11 120.58 1y1u h GLN 223 Ca 0.25 -0.40 -0.03 0.00 -0.15 0.00 0.00 58.65 58.32 1y1u h GLN 223 Cb 0.14 0.05 0.01 0.00 1.07 0.00 0.00 27.48 28.75 1y1u h GLN 223 CO -0.03 1.02 -0.30 0.37 -2.65 0.00 0.00 178.83 177.25 1y1u h GLN 224 N 0.30 -0.80 -0.73 1.69 4.15 -0.79 -1.57 115.11 117.36 1y1u h GLN 224 Ca 0.01 0.05 0.14 0.00 0.77 0.00 0.00 58.65 59.62 1y1u h GLN 224 Cb 1.00 0.18 -0.09 0.00 0.21 0.00 0.00 27.48 28.78 1y1u h GLN 224 CO 0.09 -0.49 0.26 1.88 -1.93 0.00 0.00 178.83 178.64 1y1u h TYR 225 N -0.98 0.44 -0.08 3.99 0.99 -1.37 0.15 116.97 120.11 1y1u h TYR 225 Ca -0.09 0.04 0.04 0.00 2.00 0.00 0.00 58.73 60.72 1y1u h TYR 225 Cb 0.68 -0.09 -0.05 0.00 1.00 0.00 0.00 36.73 38.28 1y1u h TYR 225 CO -0.01 0.04 -0.21 -0.09 -0.00 0.00 0.00 178.16 177.89 1y1u h ARG 226 N 0.40 -0.28 -0.68 4.88 9.65 -1.34 -0.27 114.38 126.74 1y1u h ARG 226 Ca 0.40 0.02 0.06 0.00 -1.10 0.00 0.00 59.98 59.36 1y1u h ARG 226 Cb 0.61 0.06 -0.06 0.00 -1.39 0.00 0.00 29.97 29.19 1y1u h ARG 226 CO -0.41 -0.19 0.38 0.28 2.80 0.00 0.00 179.97 182.83 1y1u h VAL 227 N -0.29 0.97 -0.49 0.20 2.07 -0.11 -1.87 116.25 116.74 1y1u h VAL 227 Ca 0.08 -0.24 0.07 0.00 0.82 0.00 0.00 66.70 67.43 1y1u h VAL 227 Cb 0.41 0.21 -0.06 0.00 -1.52 0.00 0.00 31.29 30.33 1y1u h VAL 227 CO -0.25 0.13 0.16 -0.33 0.02 0.00 0.00 177.57 177.30 1y1u h GLU 228 N 0.70 0.33 -0.05 1.57 4.39 0.49 -0.58 114.58 121.43 1y1u h GLU 228 Ca 0.30 -0.02 -0.17 0.00 0.34 0.00 0.00 59.36 59.81 1y1u h GLU 228 Cb 0.19 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 1y1u h GLU 228 CO -0.18 0.22 -0.72 1.25 -1.16 0.00 0.00 179.01 178.41 1y1u h LEU 229 N 0.33 0.33 -0.34 1.33 7.12 -0.95 -0.85 115.31 122.28 1y1u h LEU 229 Ca 0.23 -0.22 -0.17 0.00 0.13 0.00 0.00 57.88 57.86 1y1u h LEU 229 Cb 0.25 -0.10 -0.00 0.00 -0.53 0.00 0.00 40.66 40.28 1y1u h LEU 229 CO -0.25 0.94 -0.45 0.00 -0.13 0.00 0.00 178.44 178.55 1y1u h ALA 230 N 1.05 0.52 -0.00 1.25 0.00 -0.66 -1.78 119.26 119.64 1y1u h ALA 230 Ca -0.02 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1y1u h ALA 230 Cb 1.28 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1y1u h ALA 230 CO 0.11 0.67 -0.02 -0.85 0.00 0.00 0.00 179.25 179.16 1y1u n GLU 231 N -4.05 0.33 0.12 0.00 0.28 -0.29 -1.46 120.64 115.58 1y1u n GLU 231 Ca -0.03 -0.02 -0.20 0.00 -0.16 0.00 0.00 57.16 56.75 1y1u n GLU 231 Cb 0.58 -1.50 -0.14 0.00 1.43 0.00 0.00 31.44 31.81 1y1u n GLU 231 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 177.13 176.75 1y1u h LYS 232 N 0.04 0.43 0.25 3.44 1.63 -0.72 -2.98 116.57 118.66 1y1u h LYS 232 Ca 0.00 -0.70 -0.01 0.00 -0.85 0.00 0.00 60.65 59.09 1y1u h LYS 232 Cb 0.35 0.25 0.00 0.00 -0.60 0.00 0.00 32.23 32.24 1y1u h LYS 232 CO 0.00 1.33 -0.12 0.45 -3.45 0.00 0.00 179.45 177.66 1y1u h HIS 233 N 0.14 -0.31 -0.42 1.91 3.86 -1.03 -0.36 115.15 118.94 1y1u h HIS 233 Ca -0.19 -0.01 0.14 0.00 -1.16 0.00 0.00 60.37 59.16 1y1u h HIS 233 Cb 2.03 0.10 -0.08 0.00 1.06 0.00 0.00 27.41 30.53 1y1u h HIS 233 CO 0.10 0.05 0.11 0.94 0.86 0.00 0.00 177.93 179.99 1y1u n GLN 234 N -5.06 -0.03 -0.04 2.45 -0.06 -0.53 -0.92 117.38 113.19 1y1u n GLN 234 Ca -0.09 0.61 -0.08 0.00 -2.00 0.00 0.00 57.00 55.43 1y1u n GLN 234 Cb 0.26 -1.02 -0.07 0.00 -4.06 0.00 0.00 30.24 25.35 1y1u n GLN 234 CO 0.00 0.00 0.00 -0.22 -0.20 0.00 0.00 177.06 176.64 1y1u h LYS 235 N 0.00 -0.03 -0.55 3.69 1.63 -1.17 -2.67 116.57 117.47 1y1u h LYS 235 Ca 0.30 0.00 0.06 0.00 -0.85 0.00 0.00 60.65 60.17 1y1u h LYS 235 Cb 0.72 0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 32.30 1y1u h LYS 235 CO -0.36 0.51 0.25 0.00 -3.45 0.00 0.00 179.45 176.40 1y1u h THR 236 N -0.98 0.89 0.01 1.00 1.03 0.65 -2.55 112.91 112.96 1y1u h THR 236 Ca -0.00 -0.16 0.03 0.00 -0.01 0.00 0.00 66.41 66.27 1y1u h THR 236 Cb 0.56 0.38 -0.05 0.00 -1.07 0.00 0.00 68.15 67.97 1y1u h THR 236 CO 0.01 0.09 -0.31 -0.07 -0.01 0.00 0.00 175.52 175.22 1y1u h LEU 237 N 0.47 -0.93 -0.83 0.00 3.38 -1.20 0.63 115.31 116.83 1y1u h LEU 237 Ca 0.26 0.12 0.15 0.00 0.09 0.00 0.00 57.88 58.50 1y1u h LEU 237 Cb 0.23 0.37 -0.15 0.00 0.09 0.00 0.00 40.66 41.19 1y1u h LEU 237 CO -0.21 -0.38 -0.27 -0.61 0.09 0.00 0.00 178.44 177.06 1y1u h GLN 238 N -0.47 -0.03 -0.79 1.13 5.75 -1.09 0.73 115.11 120.34 1y1u h GLN 238 Ca 0.06 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.51 1y1u h GLN 238 Cb 0.55 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 29.07 1y1u h GLN 238 CO -0.25 -0.02 0.31 1.25 -2.65 0.00 0.00 178.83 177.46 1y1u h LEU 239 N -0.03 1.11 -0.98 -2.39 5.85 -1.12 -2.06 115.31 115.68 1y1u h LEU 239 Ca 0.36 -0.18 -0.07 0.00 0.84 0.00 0.00 57.88 58.84 1y1u h LEU 239 Cb 0.61 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 1y1u h LEU 239 CO -0.87 0.98 -0.00 0.25 -0.34 0.00 0.00 178.44 178.47 1y1u h LEU 240 N 1.16 0.70 -1.42 2.25 5.85 0.16 -1.48 115.31 122.54 1y1u h LEU 240 Ca 0.26 -0.16 -0.06 0.00 0.84 0.00 0.00 57.88 58.76 1y1u h LEU 240 Cb 0.23 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 1y1u h LEU 240 CO -0.02 0.77 -0.29 -0.09 -0.34 0.00 0.00 178.44 178.47 1y1u h ARG 241 N 0.69 0.00 0.52 1.25 9.65 0.60 -0.00 114.38 127.09 1y1u h ARG 241 Ca 0.14 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.99 1y1u h ARG 241 Cb 0.43 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 29.01 1y1u h ARG 241 CO 0.02 0.29 -0.25 -0.22 2.80 0.00 0.00 179.97 182.61 1y1u h LYS 242 N 0.00 -0.67 -0.06 0.20 1.63 -0.62 -2.08 116.57 114.97 1y1u h LYS 242 Ca -0.00 0.05 0.04 0.00 -0.85 0.00 0.00 60.65 59.88 1y1u h LYS 242 Cb 0.54 0.15 -0.06 0.00 -0.60 0.00 0.00 32.23 32.26 1y1u h LYS 242 CO 0.04 -0.38 -0.39 0.37 -3.45 0.00 0.00 179.45 175.64 1y1u h GLN 243 N -1.08 -0.49 -0.80 1.90 5.75 -1.22 0.41 115.11 119.59 1y1u h GLN 243 Ca -0.07 0.03 0.09 0.00 -0.15 0.00 0.00 58.65 58.55 1y1u h GLN 243 Cb 0.60 0.11 -0.12 0.00 1.07 0.00 0.00 27.48 29.15 1y1u h GLN 243 CO 0.12 -0.32 -0.52 0.37 -2.65 0.00 0.00 178.83 175.83 1y1u h GLN 244 N -0.50 -0.12 -0.03 1.69 5.75 -1.09 0.43 115.11 121.24 1y1u h GLN 244 Ca 0.07 0.01 0.04 0.00 -0.15 0.00 0.00 58.65 58.61 1y1u h GLN 244 Cb 0.61 0.03 -0.05 0.00 1.07 0.00 0.00 27.48 29.14 1y1u h GLN 244 CO -0.34 -0.08 -0.31 1.15 -2.65 0.00 0.00 178.83 176.60 1y1u h THR 245 N -0.12 0.32 -0.09 2.39 2.02 -0.97 0.50 112.91 116.96 1y1u h THR 245 Ca 0.18 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.38 1y1u h THR 245 Cb 0.51 0.32 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 1y1u h THR 245 CO -0.83 0.00 -0.06 0.40 0.37 0.00 0.00 175.52 175.40 1y1u h ILE 246 N -0.44 0.81 0.52 3.11 1.08 -0.17 0.51 117.51 122.93 1y1u h ILE 246 Ca 0.07 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.52 1y1u h ILE 246 Cb 0.54 0.81 -0.00 0.00 -3.07 0.00 0.00 36.82 35.10 1y1u h ILE 246 CO -0.28 0.00 -0.33 0.40 -0.69 0.00 0.00 178.15 177.25 1y1u h ILE 247 N -0.07 0.00 0.10 -0.67 1.08 0.17 -1.07 117.51 117.05 1y1u h ILE 247 Ca 0.06 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.52 1y1u h ILE 247 Cb 0.15 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.90 1y1u h ILE 247 CO -0.13 0.00 -0.05 -0.07 -0.69 0.00 0.00 178.15 177.21 1y1u h LEU 248 N -0.80 -0.11 0.00 1.44 4.07 0.03 -1.15 115.31 118.80 1y1u h LEU 248 Ca -0.07 -0.27 -0.20 0.00 0.08 0.00 0.00 57.88 57.42 1y1u h LEU 248 Cb 0.65 0.03 -0.03 0.00 1.08 0.00 0.00 40.66 42.38 1y1u h LEU 248 CO 0.06 0.21 -1.02 0.44 -1.08 0.00 0.00 178.44 177.05 1y1u h ASP 249 N -0.44 0.00 0.00 -0.43 3.32 -0.06 -3.05 116.42 115.76 1y1u h ASP 249 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1y1u h ASP 249 Cb 0.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.92 1y1u h ASP 249 CO 0.02 0.91 -0.38 0.47 -1.72 0.00 0.00 179.24 178.55 1y1u n ASP 250 N -3.28 0.88 -0.08 6.45 8.00 -0.47 -4.25 116.55 123.80 1y1u n ASP 250 Ca -0.02 0.26 -0.07 0.00 0.71 0.00 0.00 54.79 55.67 1y1u n ASP 250 Cb 0.92 -0.63 -0.00 0.00 -0.02 0.00 0.00 41.12 41.38 1y1u n ASP 250 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1y1u h GLU 251 N -0.46 -0.05 0.02 -1.24 4.39 -0.92 -1.12 114.58 115.19 1y1u h GLU 251 Ca 0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 1y1u h GLU 251 Cb 0.38 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 1y1u h GLU 251 CO 0.00 -0.04 -0.01 1.25 -1.16 0.00 0.00 179.01 179.06 1y1u h LEU 252 N -0.06 -0.02 -0.79 1.33 5.85 -1.21 -2.03 115.31 118.39 1y1u h LEU 252 Ca 0.15 -0.63 0.19 0.00 0.84 0.00 0.00 57.88 58.43 1y1u h LEU 252 Cb 0.29 0.00 -0.13 0.00 0.37 0.00 0.00 40.66 41.19 1y1u h LEU 252 CO -0.35 0.63 0.10 0.40 -0.34 0.00 0.00 178.44 178.88 1y1u h ILE 253 N -0.68 0.35 0.20 4.05 1.08 -1.48 0.50 117.51 121.52 1y1u h ILE 253 Ca -0.00 -0.05 -0.01 0.00 -0.39 0.00 0.00 64.86 64.40 1y1u h ILE 253 Cb 0.65 0.18 0.00 0.00 -3.07 0.00 0.00 36.82 34.58 1y1u h ILE 253 CO 0.00 0.03 -0.10 -0.61 -0.69 0.00 0.00 178.15 176.78 1y1u h GLN 254 N 0.16 -0.26 -0.47 2.37 4.15 -1.22 0.47 115.11 120.29 1y1u h GLN 254 Ca 0.46 0.02 0.06 0.00 0.77 0.00 0.00 58.65 59.95 1y1u h GLN 254 Cb 0.84 0.06 -0.03 0.00 0.21 0.00 0.00 27.48 28.56 1y1u h GLN 254 CO -0.65 -0.03 0.32 2.35 -1.93 0.00 0.00 178.83 178.89 1y1u h TRP 255 N -0.46 0.42 0.36 3.99 7.01 -0.75 0.19 115.95 126.71 1y1u h TRP 255 Ca -0.03 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 60.97 1y1u h TRP 255 Cb 0.35 -0.14 0.00 0.00 -2.10 0.00 0.00 29.16 27.28 1y1u h TRP 255 CO -0.01 0.23 -0.17 0.87 -2.79 0.00 0.00 178.44 176.56 1y1u h LYS 256 N 0.42 -0.47 -0.83 2.65 1.57 0.31 -2.24 116.57 117.97 1y1u h LYS 256 Ca 0.20 0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 59.01 1y1u h LYS 256 Cb 0.28 0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.66 1y1u h LYS 256 CO -0.05 -0.20 0.50 -0.09 -0.57 0.00 0.00 179.45 179.04 1y1u h ARG 257 N -0.68 1.13 -0.68 3.15 2.43 -0.49 0.34 114.38 119.57 1y1u h ARG 257 Ca -0.05 -0.10 0.15 0.00 -0.81 0.00 0.00 59.98 59.17 1y1u h ARG 257 Cb 0.48 -0.24 -0.12 0.00 -0.42 0.00 0.00 29.97 29.67 1y1u h ARG 257 CO 0.08 0.79 -0.04 -0.09 -1.51 0.00 0.00 179.97 179.20 1y1u h ARG 258 N 1.15 0.08 0.09 0.20 9.65 -0.59 0.16 114.38 125.11 1y1u h ARG 258 Ca 0.30 -0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 59.17 1y1u h ARG 258 Cb -0.05 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.51 1y1u h ARG 258 CO -0.06 0.05 -0.04 0.37 2.80 0.00 0.00 179.97 183.09 1y1u h GLN 259 N 0.08 -0.11 -0.93 0.20 4.15 -0.64 -1.49 115.11 116.37 1y1u h GLN 259 Ca 0.36 0.01 0.14 0.00 0.77 0.00 0.00 58.65 59.92 1y1u h GLN 259 Cb 0.59 0.03 -0.09 0.00 0.21 0.00 0.00 27.48 28.22 1y1u h GLN 259 CO -0.62 -0.02 0.55 0.37 -1.93 0.00 0.00 178.83 177.18 1y1u h GLN 260 N -0.18 0.78 0.00 1.69 4.15 0.42 0.35 115.11 122.32 1y1u h GLN 260 Ca -0.01 -0.05 -0.13 0.00 0.77 0.00 0.00 58.65 59.23 1y1u h GLN 260 Cb 0.15 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 27.65 1y1u h GLN 260 CO 0.02 0.52 -0.62 -0.07 -1.93 0.00 0.00 178.83 176.75 1y1u h LEU 261 N 0.81 0.00 -2.08 -2.39 3.38 -0.68 -1.80 115.31 112.55 1y1u h LEU 261 Ca 0.49 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.55 1y1u h LEU 261 Cb 0.60 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1y1u h LEU 261 CO -0.32 0.62 0.26 0.00 0.09 0.00 0.00 178.44 179.09 1y1u h ALA 262 N 1.38 2.14 -0.41 1.53 0.00 0.16 0.28 119.26 124.34 1y1u h ALA 262 Ca -0.01 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.98 1y1u h ALA 262 Cb 1.41 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 19.14 1y1u h ALA 262 CO 0.08 -0.42 -0.14 0.78 0.00 0.00 0.00 179.25 179.55 1y1u h GLY 263 N 0.00 0.22 -2.58 0.00 0.00 -0.78 0.21 103.07 100.14 1y1u h GLY 263 Ca 0.15 0.18 -0.14 0.00 0.00 0.00 0.00 47.33 47.52 1y1u h GLY 263 CO -0.00 -0.18 0.17 0.70 0.00 0.00 0.00 176.54 177.24 1y1u n ASN 264 N -5.34 3.45 -2.71 0.19 3.02 -0.75 -4.82 115.26 108.31 1y1u n ASN 264 Ca 0.02 -2.44 -0.20 0.00 -0.03 0.00 0.00 54.58 51.93 1y1u n ASN 264 Cb 0.25 -0.63 0.04 0.00 -0.61 0.00 0.00 39.78 38.82 1y1u n ASN 264 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1y1u n GLY 265 N 0.15 -0.37 3.72 7.41 0.00 0.73 -2.28 105.19 114.56 1y1u n GLY 265 Ca 0.15 0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1y1u n GLY 265 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1y1u s GLY 266 N -2.79 1.62 0.39 -0.02 0.00 0.91 -4.66 107.32 102.76 1y1u s GLY 266 Ca 0.29 -0.81 -0.26 0.00 0.00 0.00 0.00 44.72 43.94 1y1u s GLY 266 CO 0.36 -0.07 1.20 2.56 0.00 0.00 0.00 173.10 177.15 1y1u s PRO 267 N -5.41 4.10 0.26 2.90 0.04 -1.26 -4.23 135.00 131.41 1y1u s PRO 267 Ca 0.69 1.93 -0.30 0.00 0.04 0.00 0.00 61.00 63.36 1y1u s PRO 267 Cb -0.11 -2.76 -0.14 0.00 0.04 0.00 0.00 34.50 31.53 1y1u s PRO 267 CO 0.55 -0.31 1.21 -2.30 0.04 0.00 0.00 177.00 176.19 1y1u n PRO 268 N 0.22 1.67 -0.35 0.56 -0.02 -1.26 -4.48 135.00 131.35 1y1u n PRO 268 Ca 0.03 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 1y1u n PRO 268 Cb 0.45 -2.11 0.06 0.00 -0.02 0.00 0.00 33.50 31.89 1y1u n PRO 268 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1y1u h GLU 269 N 2.99 -0.02 0.00 -0.52 3.07 -1.89 -3.48 114.58 114.73 1y1u h GLU 269 Ca -0.43 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.43 1y1u h GLU 269 Cb 1.31 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.22 1y1u h GLU 269 CO 0.67 -0.01 0.00 0.41 -1.40 0.00 0.00 179.01 178.68 1y1u n GLY 270 N -1.51 1.47 3.73 -3.84 0.00 -1.26 -4.89 105.19 98.89 1y1u n GLY 270 Ca 0.11 -2.09 -0.42 0.00 0.00 0.00 0.00 46.02 43.63 1y1u n GLY 270 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1y1u s SER 271 N 0.00 6.95 0.66 1.61 0.15 -1.26 -4.90 113.70 116.91 1y1u s SER 271 Ca 0.00 2.29 0.44 0.00 0.70 0.00 0.00 55.95 59.38 1y1u s SER 271 Cb 0.00 -2.60 2.37 0.00 -1.71 0.00 0.00 66.02 64.08 1y1u s SER 271 CO 0.00 -0.51 2.35 -0.07 1.20 0.00 0.00 173.24 176.21 1y1u h LEU 272 N 5.89 0.00 -0.82 3.45 3.38 -2.01 -3.30 115.31 121.90 1y1u h LEU 272 Ca -0.44 0.00 0.20 0.00 0.09 0.00 0.00 57.88 57.74 1y1u h LEU 272 Cb 1.21 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.83 1y1u h LEU 272 CO 0.79 0.00 0.16 0.44 0.09 0.00 0.00 178.44 179.93 1y1u h ASP 273 N 0.00 -0.09 -0.63 -0.43 3.32 -2.00 0.28 116.42 116.88 1y1u h ASP 273 Ca -0.00 0.19 0.01 0.00 0.02 0.00 0.00 57.03 57.25 1y1u h ASP 273 Cb 0.03 0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.82 1y1u h ASP 273 CO 0.00 -0.14 0.42 1.62 -1.72 0.00 0.00 179.24 179.42 1y1u h VAL 274 N 0.20 1.15 0.00 -1.35 3.04 -1.99 -2.18 116.25 115.11 1y1u h VAL 274 Ca 0.49 -0.29 -0.16 0.00 -1.01 0.00 0.00 66.70 65.74 1y1u h VAL 274 Cb 0.93 0.24 -0.02 0.00 -2.01 0.00 0.00 31.29 30.43 1y1u h VAL 274 CO -0.63 0.15 -0.74 -0.07 -1.01 0.00 0.00 177.57 175.27 1y1u h LEU 275 N 0.84 0.00 0.09 3.16 4.07 -0.75 -3.11 115.31 119.61 1y1u h LEU 275 Ca 0.23 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.19 1y1u h LEU 275 Cb -0.07 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.67 1y1u h LEU 275 CO -0.05 0.74 -0.04 -0.61 -1.08 0.00 0.00 178.44 177.39 1y1u h GLN 276 N 0.00 -0.12 -0.83 1.13 4.15 -0.67 0.21 115.11 118.99 1y1u h GLN 276 Ca -0.01 0.01 0.12 0.00 0.77 0.00 0.00 58.65 59.54 1y1u h GLN 276 Cb 1.56 0.03 -0.13 0.00 0.21 0.00 0.00 27.48 29.14 1y1u h GLN 276 CO 0.10 0.28 -0.42 0.66 -1.93 0.00 0.00 178.83 177.51 1y1u h SER 277 N -0.54 -1.52 -0.76 -0.69 4.64 -1.54 0.57 113.55 113.70 1y1u h SER 277 Ca -0.01 0.28 0.08 0.00 -0.47 0.00 0.00 61.79 61.67 1y1u h SER 277 Cb 0.45 0.74 -0.11 0.00 -0.31 0.00 0.00 62.40 63.17 1y1u h SER 277 CO 0.02 -0.30 -0.56 -0.50 -0.87 0.00 0.00 176.83 174.63 1y1u h TRP 278 N -0.09 -1.75 -0.22 4.77 -0.00 -1.38 -0.69 115.95 116.59 1y1u h TRP 278 Ca 0.26 0.11 -0.13 0.00 -0.00 0.00 0.00 58.89 59.13 1y1u h TRP 278 Cb 0.55 0.86 -0.01 0.00 -0.00 0.00 0.00 29.16 30.57 1y1u h TRP 278 CO -0.82 -0.42 -0.39 0.00 -0.00 0.00 0.00 178.44 176.81 1y1u h GLU 280 N 0.43 0.64 -0.58 0.00 4.11 -0.00 0.54 114.58 119.72 1y1u h GLU 280 Ca 0.04 -0.76 0.12 0.00 0.07 0.00 0.00 59.36 58.83 1y1u h GLU 280 Cb 0.87 0.23 -0.10 0.00 0.50 0.00 0.00 28.75 30.26 1y1u h GLU 280 CO 0.07 1.33 0.00 -0.22 0.07 0.00 0.00 179.01 180.27 1y1u h LYS 281 N 0.28 0.12 0.27 1.06 1.63 -0.98 0.91 116.57 119.87 1y1u h LYS 281 Ca -0.15 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.63 1y1u h LYS 281 Cb 1.75 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 33.35 1y1u h LYS 281 CO 0.21 0.08 -0.13 -0.07 -3.45 0.00 0.00 179.45 176.09 1y1u h LEU 282 N 0.12 -0.31 -0.93 5.20 3.38 -0.47 -1.88 115.31 120.42 1y1u h LEU 282 Ca 0.30 -0.04 0.10 0.00 0.09 0.00 0.00 57.88 58.33 1y1u h LEU 282 Cb 0.47 0.08 -0.08 0.00 0.09 0.00 0.00 40.66 41.22 1y1u h LEU 282 CO -0.49 -0.17 0.57 0.00 0.09 0.00 0.00 178.44 178.45 1y1u h ALA 283 N 0.28 1.35 0.26 1.53 0.00 0.72 -0.17 119.26 123.23 1y1u h ALA 283 Ca -0.04 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1y1u h ALA 283 Cb 0.33 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1y1u h ALA 283 CO 0.06 0.21 -0.12 1.49 0.00 0.00 0.00 179.25 180.89 1y1u h GLU 284 N 0.94 -0.33 0.00 0.00 4.81 0.97 -0.39 114.58 120.58 1y1u h GLU 284 Ca 0.44 0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.59 1y1u h GLU 284 Cb 0.38 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 1y1u h GLU 284 CO -0.24 -0.21 -0.50 0.97 -0.73 0.00 0.00 179.01 178.30 1y1u h ILE 285 N -0.36 1.05 -0.01 2.32 -0.00 -1.05 -2.24 117.51 117.21 1y1u h ILE 285 Ca -0.04 -1.94 -0.15 0.00 -0.00 0.00 0.00 64.86 62.74 1y1u h ILE 285 Cb 0.28 2.15 0.01 0.00 -0.00 0.00 0.00 36.82 39.26 1y1u h ILE 285 CO 0.06 0.49 -0.57 -0.29 -0.00 0.00 0.00 178.15 177.84 1y1u h ILE 286 N 0.00 1.43 -0.20 2.19 -0.00 -0.98 -3.23 117.51 116.72 1y1u h ILE 286 Ca -0.00 -2.04 -0.07 0.00 -0.00 0.00 0.00 64.86 62.75 1y1u h ILE 286 Cb 1.11 2.56 -0.01 0.00 -0.00 0.00 0.00 36.82 40.48 1y1u h ILE 286 CO 0.06 0.59 -0.17 -0.25 -0.00 0.00 0.00 178.15 178.39 1y1u h TRP 287 N -0.10 0.36 0.00 2.19 2.91 -0.89 -1.88 115.95 118.54 1y1u h TRP 287 Ca -0.07 -0.05 0.00 0.00 1.13 0.00 0.00 58.89 59.90 1y1u h TRP 287 Cb 1.27 -0.10 0.00 0.00 -0.51 0.00 0.00 29.16 29.83 1y1u h TRP 287 CO 0.14 0.50 0.00 1.04 -1.03 0.00 0.00 178.44 179.09 1y1u n GLN 288 N -4.21 0.00 -0.25 2.65 6.02 -0.86 -1.70 117.38 119.03 1y1u n GLN 288 Ca -0.00 0.48 0.28 0.00 -0.01 0.00 0.00 57.00 57.75 1y1u n GLN 288 Cb 0.32 -1.32 0.43 0.00 1.02 0.00 0.00 30.24 30.69 1y1u n GLN 288 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1y1u n ASN 289 N -1.73 0.00 0.17 1.08 5.03 -1.10 0.10 115.26 118.82 1y1u n ASN 289 Ca 0.00 0.70 -0.07 0.00 0.87 0.00 0.00 54.58 56.08 1y1u n ASN 289 Cb 0.00 -0.26 -0.04 0.00 -1.02 0.00 0.00 39.78 38.47 1y1u n ASN 289 CO 0.00 0.00 0.00 -0.09 -1.83 0.00 0.00 177.26 175.34 1y1u h ARG 290 N 0.00 -0.47 -0.01 3.52 1.12 -0.82 -2.54 114.38 115.18 1y1u h ARG 290 Ca 0.49 0.03 0.00 0.00 -1.11 0.00 0.00 59.98 59.39 1y1u h ARG 290 Cb 2.72 0.11 -0.00 0.00 -0.01 0.00 0.00 29.97 32.78 1y1u h ARG 290 CO -0.01 -0.31 0.10 -0.56 -3.11 0.00 0.00 179.97 176.09 1y1u h GLN 291 N -0.90 0.00 0.12 0.20 3.07 0.16 -1.42 115.11 116.34 1y1u h GLN 291 Ca -0.05 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.68 1y1u h GLN 291 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.93 1y1u h GLN 291 CO 0.08 0.00 -0.06 1.96 0.09 0.00 0.00 178.83 180.90 1y1u h GLN 292 N 0.00 -0.16 0.00 0.06 4.20 -0.93 -1.94 115.11 116.35 1y1u h GLN 292 Ca 0.00 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1y1u h GLN 292 Cb 0.21 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.03 1y1u h GLN 292 CO -0.00 0.28 0.00 -0.84 -0.67 0.00 0.00 178.83 177.60 1y1u h ILE 293 N -0.67 0.00 0.00 2.54 -2.65 -1.01 -2.06 117.51 113.66 1y1u h ILE 293 Ca -0.02 -0.58 -0.12 0.00 1.03 0.00 0.00 64.86 65.17 1y1u h ILE 293 Cb 0.51 1.53 -0.02 0.00 -2.05 0.00 0.00 36.82 36.79 1y1u h ILE 293 CO 0.03 0.00 -0.58 -0.09 0.03 0.00 0.00 178.15 177.53 1y1u h ARG 294 N 0.00 0.00 -0.15 0.16 2.43 -1.21 -0.50 114.38 115.11 1y1u h ARG 294 Ca 0.00 0.00 -0.20 0.00 -0.81 0.00 0.00 59.98 58.97 1y1u h ARG 294 Cb 0.68 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 1y1u h ARG 294 CO 0.00 0.58 -0.71 0.00 -1.51 0.00 0.00 179.97 178.34 1y1u h ARG 295 N 0.00 0.64 -0.42 0.20 3.08 -0.89 -2.71 114.38 114.28 1y1u h ARG 295 Ca -0.01 -0.50 0.02 0.00 0.07 0.00 0.00 59.98 59.56 1y1u h ARG 295 Cb 1.18 0.09 -0.03 0.00 0.08 0.00 0.00 29.97 31.30 1y1u h ARG 295 CO 0.08 1.12 0.25 0.00 -1.07 0.00 0.00 179.97 180.34 1y1u h ALA 296 N 0.75 0.53 -0.09 0.04 0.00 -0.95 -0.95 119.26 118.59 1y1u h ALA 296 Ca -0.03 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1y1u h ALA 296 Cb 1.31 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1y1u h ALA 296 CO 0.14 -0.07 -0.13 0.93 0.00 0.00 0.00 179.25 180.11 1y1u h GLU 297 N 0.50 -0.10 -1.31 0.00 4.39 -1.14 0.23 114.58 117.15 1y1u h GLU 297 Ca 0.16 0.01 0.43 0.00 0.34 0.00 0.00 59.36 60.30 1y1u h GLU 297 Cb -0.00 0.02 -0.13 0.00 -0.10 0.00 0.00 28.75 28.55 1y1u h GLU 297 CO -0.07 -0.07 0.85 1.25 -1.16 0.00 0.00 179.01 179.81 1y1u h HIS 298 N -0.11 0.52 0.15 4.33 2.76 -1.09 0.60 115.15 122.32 1y1u h HIS 298 Ca 0.02 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.20 1y1u h HIS 298 Cb 0.15 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 28.98 1y1u h HIS 298 CO -0.60 -0.20 -0.07 -0.07 -1.30 0.00 0.00 177.93 175.69 1y1u h LEU 299 N 0.09 -0.17 -1.50 0.26 3.38 -0.45 -2.95 115.31 113.98 1y1u h LEU 299 Ca 0.81 -0.33 -0.05 0.00 0.09 0.00 0.00 57.88 58.40 1y1u h LEU 299 Cb 2.54 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 43.33 1y1u h LEU 299 CO -0.41 0.42 -0.21 0.00 0.09 0.00 0.00 178.44 178.32 1y1u n GLN 301 N -4.26 1.40 -0.00 0.00 10.64 0.19 -2.52 117.38 122.82 1y1u n GLN 301 Ca -0.02 -0.60 0.03 0.00 -1.83 0.00 0.00 57.00 54.58 1y1u n GLN 301 Cb 0.29 -1.42 -0.04 0.00 -0.86 0.00 0.00 30.24 28.21 1y1u n GLN 301 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 1y1u n GLN 302 N -0.23 1.68 -3.43 2.61 6.02 -0.36 -4.83 117.38 118.84 1y1u n GLN 302 Ca 0.18 -0.04 -0.26 0.00 -0.01 0.00 0.00 57.00 56.87 1y1u n GLN 302 Cb 0.23 -1.02 -0.11 0.00 1.02 0.00 0.00 30.24 30.37 1y1u n GLN 302 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1y1u s LEU 303 N -3.05 0.80 0.68 1.08 2.96 -0.14 -5.07 118.68 115.94 1y1u s LEU 303 Ca -0.01 -2.17 -0.17 0.00 -0.22 0.00 0.00 54.13 51.56 1y1u s LEU 303 Cb 0.04 -0.20 -0.05 0.00 0.50 0.00 0.00 46.19 46.49 1y1u s LEU 303 CO 0.23 -0.28 0.60 -0.81 -1.32 0.00 0.00 176.35 174.77 1y1u n PRO 304 N 3.93 0.41 -2.81 0.98 -0.04 -1.05 -4.56 135.00 131.86 1y1u n PRO 304 Ca 0.14 0.18 -0.10 0.00 -0.04 0.00 0.00 63.50 63.67 1y1u n PRO 304 Cb 0.40 -1.86 0.05 0.00 -0.04 0.00 0.00 33.50 32.05 1y1u n PRO 304 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1y1u n ILE 305 N -2.21 -0.07 -0.40 0.52 -6.64 -1.26 -5.09 119.36 104.21 1y1u n ILE 305 Ca 0.11 -1.93 -0.13 0.00 -1.77 0.00 0.00 62.75 59.03 1y1u n ILE 305 Cb 0.49 1.10 -0.04 0.00 -1.44 0.00 0.00 39.64 39.75 1y1u n ILE 305 CO 0.00 0.00 0.00 -2.65 -1.77 0.00 0.00 176.55 172.13 1y1u n PRO 306 N 0.97 0.00 -3.07 6.28 -0.02 -1.26 -4.77 135.00 133.14 1y1u n PRO 306 Ca 0.10 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.53 1y1u n PRO 306 Cb 0.65 -0.42 0.02 0.00 -0.02 0.00 0.00 33.50 33.73 1y1u n PRO 306 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1y1u n GLY 307 N 1.90 1.08 0.00 -1.23 0.00 -1.26 -5.00 105.19 100.68 1y1u n GLY 307 Ca 0.18 -1.15 0.06 0.00 0.00 0.00 0.00 46.02 45.11 1y1u n GLY 307 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1y1u n PRO 308 N -0.44 0.45 0.11 1.61 -0.04 -1.26 -3.73 135.00 131.70 1y1u n PRO 308 Ca -0.04 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.24 1y1u n PRO 308 Cb 0.42 -1.44 -0.14 0.00 -0.04 0.00 0.00 33.50 32.30 1y1u n PRO 308 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1y1u h VAL 309 N 0.00 1.44 -1.00 0.52 2.07 -1.94 -2.97 116.25 114.36 1y1u h VAL 309 Ca 0.00 -2.99 0.05 0.00 0.82 0.00 0.00 66.70 64.58 1y1u h VAL 309 Cb 0.00 2.95 -0.06 0.00 -1.52 0.00 0.00 31.29 32.65 1y1u h VAL 309 CO 0.00 0.88 0.65 -0.33 0.02 0.00 0.00 177.57 178.78 1y1u h GLU 310 N 0.08 1.18 0.00 1.57 5.08 -1.94 0.03 114.58 120.60 1y1u h GLU 310 Ca -0.16 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1y1u h GLU 310 Cb 2.01 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 30.99 1y1u h GLU 310 CO 0.21 0.78 0.00 -1.91 -1.00 0.00 0.00 179.01 177.09 1y1u n GLU 311 N -4.48 0.00 -0.32 2.33 4.07 -1.22 -1.33 120.64 119.70 1y1u n GLU 311 Ca 0.14 0.48 0.16 0.00 -0.06 0.00 0.00 57.16 57.89 1y1u n GLU 311 Cb 0.14 -1.42 0.34 0.00 -0.06 0.00 0.00 31.44 30.43 1y1u n GLU 311 CO 0.00 0.00 0.00 0.52 -0.06 0.00 0.00 177.13 177.59 1y1u h MET 312 N 0.00 0.11 0.19 5.31 2.86 -1.41 0.95 114.93 122.94 1y1u h MET 312 Ca 0.00 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1y1u h MET 312 Cb 0.00 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.64 1y1u h MET 312 CO 0.00 0.07 -0.09 -0.07 1.06 0.00 0.00 176.91 177.88 1y1u h LEU 313 N 0.11 -0.22 -1.11 1.22 3.38 -1.05 0.27 115.31 117.91 1y1u h LEU 313 Ca 0.61 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.48 1y1u h LEU 313 Cb 1.33 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.12 1y1u h LEU 313 CO -0.76 -0.11 -0.16 0.00 0.09 0.00 0.00 178.44 177.50 1y1u h ALA 314 N 0.49 1.26 -0.12 1.53 0.00 0.12 0.30 119.26 122.83 1y1u h ALA 314 Ca -0.03 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.50 1y1u h ALA 314 Cb 0.24 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1y1u h ALA 314 CO 0.04 0.49 -0.33 1.49 0.00 0.00 0.00 179.25 180.94 1y1u h GLU 315 N 0.40 0.44 -0.54 0.00 4.22 0.71 -0.05 114.58 119.76 1y1u h GLU 315 Ca 0.07 -0.31 -0.08 0.00 0.08 0.00 0.00 59.36 59.12 1y1u h GLU 315 Cb 0.52 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 1y1u h GLU 315 CO 0.03 0.93 0.01 0.28 -2.18 0.00 0.00 179.01 178.08 1y1u h VAL 316 N 0.03 1.25 0.00 0.32 2.07 -0.28 -1.12 116.25 118.53 1y1u h VAL 316 Ca -0.01 -1.05 -0.07 0.00 0.82 0.00 0.00 66.70 66.39 1y1u h VAL 316 Cb 0.94 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 1y1u h VAL 316 CO 0.07 0.38 -0.32 -1.13 0.02 0.00 0.00 177.57 176.58 1y1u h ASN 317 N 0.85 0.00 -0.35 0.57 -0.00 -0.48 -2.83 115.58 113.34 1y1u h ASN 317 Ca 0.16 0.00 -0.15 0.00 -0.00 0.00 0.00 56.30 56.31 1y1u h ASN 317 Cb 0.48 0.00 -0.00 0.00 -0.00 0.00 0.00 38.32 38.80 1y1u h ASN 317 CO 0.02 0.32 -0.38 0.00 -0.00 0.00 0.00 177.43 177.40 1y1u h ALA 318 N 1.68 0.51 0.03 1.57 0.00 0.15 -3.20 119.26 120.00 1y1u h ALA 318 Ca -0.00 -0.45 -0.21 0.00 0.00 0.00 0.00 54.91 54.24 1y1u h ALA 318 Cb 0.91 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1y1u h ALA 318 CO 0.04 0.61 -1.00 1.79 0.00 0.00 0.00 179.25 180.70 1y1u h THR 319 N 0.67 1.62 0.00 0.00 1.35 -1.25 -3.20 112.91 112.10 1y1u h THR 319 Ca 0.05 -3.12 -0.04 0.00 -0.55 0.00 0.00 66.41 62.75 1y1u h THR 319 Cb 0.97 2.75 -0.01 0.00 -1.73 0.00 0.00 68.15 70.14 1y1u h THR 319 CO 0.09 0.90 -0.20 -0.29 -0.25 0.00 0.00 175.52 175.77 1y1u h ILE 320 N 0.03 0.68 0.06 6.82 2.10 -1.55 -0.50 117.51 125.15 1y1u h ILE 320 Ca -0.04 -0.85 -0.26 0.00 1.08 0.00 0.00 64.86 64.79 1y1u h ILE 320 Cb 1.71 1.54 0.01 0.00 -1.09 0.00 0.00 36.82 38.99 1y1u h ILE 320 CO 0.14 0.20 -1.09 0.71 -1.08 0.00 0.00 178.15 177.03 1y1u h THR 321 N 0.00 1.39 -0.88 2.19 1.35 -1.59 -2.64 112.91 112.73 1y1u h THR 321 Ca -0.00 -2.59 -0.02 0.00 -0.55 0.00 0.00 66.41 63.25 1y1u h THR 321 Cb 0.52 2.60 -0.04 0.00 -1.73 0.00 0.00 68.15 69.51 1y1u h THR 321 CO 0.03 0.77 0.49 0.44 -0.25 0.00 0.00 175.52 177.00 1y1u h ASP 322 N 0.21 1.10 0.62 5.36 3.32 -1.42 -2.58 116.42 123.04 1y1u h ASP 322 Ca -0.12 -0.10 -0.08 0.00 0.02 0.00 0.00 57.03 56.75 1y1u h ASP 322 Cb 1.75 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 41.01 1y1u h ASP 322 CO 0.19 0.88 -0.39 0.16 -1.72 0.00 0.00 179.24 178.36 1y1u h ILE 323 N 1.24 1.05 -0.02 0.35 -0.00 -1.10 -2.88 117.51 116.14 1y1u h ILE 323 Ca 0.31 -1.46 -0.07 0.00 -0.00 0.00 0.00 64.86 63.65 1y1u h ILE 323 Cb 0.02 1.84 0.00 0.00 -0.00 0.00 0.00 36.82 38.69 1y1u h ILE 323 CO -0.05 0.38 -0.24 0.40 -0.00 0.00 0.00 178.15 178.64 1y1u h ILE 324 N 0.00 1.50 -0.53 0.16 2.04 -1.23 -2.05 117.51 117.40 1y1u h ILE 324 Ca -0.00 -1.81 0.04 0.00 1.00 0.00 0.00 64.86 64.09 1y1u h ILE 324 Cb 0.81 2.59 -0.04 0.00 -0.74 0.00 0.00 36.82 39.43 1y1u h ILE 324 CO 0.05 0.50 0.28 0.28 0.00 0.00 0.00 178.15 179.26 1y1u h SER 325 N -0.40 0.41 0.00 1.72 0.02 -1.50 0.68 113.55 114.47 1y1u h SER 325 Ca -0.02 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1y1u h SER 325 Cb 0.95 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.44 1y1u h SER 325 CO 0.05 0.28 0.00 0.00 -1.14 0.00 0.00 176.83 176.02 1y1u n ALA 326 N -2.33 -0.05 0.01 3.77 0.00 -1.09 -1.03 120.51 119.80 1y1u n ALA 326 Ca 0.05 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.43 1y1u n ALA 326 Cb 0.13 0.45 -0.03 0.00 0.00 0.00 0.00 19.45 20.00 1y1u n ALA 326 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1y1u h LEU 327 N 0.00 -0.58 -0.11 0.00 6.46 -0.10 -0.41 115.31 120.58 1y1u h LEU 327 Ca 0.00 0.07 0.02 0.00 -0.12 0.00 0.00 57.88 57.85 1y1u h LEU 327 Cb 0.00 0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 40.11 1y1u h LEU 327 CO 0.00 -0.18 -0.37 0.58 -0.62 0.00 0.00 178.44 177.86 1y1u h VAL 328 N -0.23 0.00 -0.04 1.05 2.07 0.21 -2.06 116.25 117.27 1y1u h VAL 328 Ca 0.01 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.56 1y1u h VAL 328 Cb 0.25 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.98 1y1u h VAL 328 CO -0.13 0.00 -0.17 0.74 0.02 0.00 0.00 177.57 178.03 1y1u h THR 329 N -0.38 0.58 0.00 2.57 2.02 -0.98 -1.70 112.91 115.02 1y1u h THR 329 Ca 0.02 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.20 1y1u h THR 329 Cb 0.45 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 67.45 1y1u h THR 329 CO -0.30 0.00 0.00 -1.54 0.37 0.00 0.00 175.52 174.05 1y1u n SER 330 N -5.30 0.00 -0.83 4.18 3.41 -0.17 -1.72 113.62 113.19 1y1u n SER 330 Ca -0.04 -0.16 0.09 0.00 -0.26 0.00 0.00 58.87 58.49 1y1u n SER 330 Cb 0.22 -0.23 0.13 0.00 -0.26 0.00 0.00 64.21 64.07 1y1u n SER 330 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1y1u n THR 331 N -1.23 0.27 -2.77 6.66 -2.24 -0.66 -4.75 114.28 109.56 1y1u n THR 331 Ca 0.12 -0.64 -0.43 0.00 -2.27 0.00 0.00 64.05 60.84 1y1u n THR 331 Cb 0.16 1.14 -0.03 0.00 -2.10 0.00 0.00 70.33 69.50 1y1u n THR 331 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1y1u s PHE 332 N -1.39 2.70 0.13 4.78 5.36 -0.70 -1.93 117.98 126.93 1y1u s PHE 332 Ca 0.26 -0.75 0.07 0.00 -0.96 0.00 0.00 56.93 55.56 1y1u s PHE 332 Cb 0.17 -4.42 -0.04 0.00 -0.34 0.00 0.00 43.02 38.39 1y1u s PHE 332 CO 0.24 -1.73 -0.17 0.96 -1.46 0.00 0.00 175.22 173.06 1y1u s ILE 333 N 4.13 1.60 -0.46 3.12 -4.36 0.31 -4.69 121.20 120.85 1y1u s ILE 333 Ca 0.31 -1.72 -0.29 0.00 -0.26 0.00 0.00 60.65 58.70 1y1u s ILE 333 Cb -0.09 -1.62 0.03 0.00 1.25 0.00 0.00 42.46 42.02 1y1u s ILE 333 CO 0.02 -0.27 1.16 -0.63 0.24 0.00 0.00 174.94 175.46 1y1u s ILE 334 N -1.78 4.20 -0.01 8.37 1.01 -1.26 -0.37 121.20 131.36 1y1u s ILE 334 Ca 0.10 1.24 -0.08 0.00 0.00 0.00 0.00 60.65 61.91 1y1u s ILE 334 Cb -0.07 -4.56 -0.05 0.00 0.01 0.00 0.00 42.46 37.79 1y1u s ILE 334 CO 0.05 -0.96 0.61 -0.08 0.00 0.00 0.00 174.94 174.56 1y1u h GLU 335 N 9.26 -0.28 -4.95 2.79 4.81 -0.65 -3.43 114.58 122.13 1y1u h GLU 335 Ca -0.23 0.02 -0.65 0.00 -0.13 0.00 0.00 59.36 58.37 1y1u h GLU 335 Cb 1.06 0.06 -0.17 0.00 0.63 0.00 0.00 28.75 30.34 1y1u h GLU 335 CO 1.12 -0.19 -0.36 0.21 -0.73 0.00 0.00 179.01 179.05 1y1u s LYS 336 N -2.74 3.76 0.22 1.92 2.20 -0.86 -4.95 119.74 119.29 1y1u s LYS 336 Ca -0.04 -0.32 -0.25 0.00 -0.36 0.00 0.00 55.97 55.00 1y1u s LYS 336 Cb 0.00 -3.73 -0.09 0.00 -1.51 0.00 0.00 37.83 32.50 1y1u s LYS 336 CO 0.13 -0.37 0.82 -1.14 -0.36 0.00 0.00 175.35 174.44 1y1u s GLN 337 N 1.92 4.54 0.39 4.03 2.00 -1.26 -1.77 119.66 129.51 1y1u s GLN 337 Ca 0.10 1.18 -0.28 0.00 -2.00 0.00 0.00 55.36 54.37 1y1u s GLN 337 Cb -0.16 -3.08 -0.10 0.00 0.80 0.00 0.00 33.01 30.46 1y1u s GLN 337 CO 0.11 0.46 1.49 -1.25 -0.50 0.00 0.00 175.29 175.60 1y1u s PRO 338 N -1.53 4.02 -0.34 1.67 0.04 -1.26 -4.84 135.00 132.77 1y1u s PRO 338 Ca 0.41 2.57 -0.31 0.00 0.04 0.00 0.00 61.00 63.71 1y1u s PRO 338 Cb -0.21 -2.91 -0.13 0.00 0.04 0.00 0.00 34.50 31.29 1y1u s PRO 338 CO 0.25 -0.61 1.09 -2.30 0.04 0.00 0.00 177.00 175.48 1y1u n PRO 339 N 0.32 0.00 0.23 0.56 -0.02 -1.26 -4.85 135.00 129.97 1y1u n PRO 339 Ca 0.02 0.00 0.09 0.00 -2.02 0.00 0.00 63.50 61.59 1y1u n PRO 339 Cb 0.39 -1.01 0.54 0.00 -0.02 0.00 0.00 33.50 33.41 1y1u n PRO 339 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1y1u h GLN 340 N 3.47 0.00 -3.53 -0.52 5.75 -1.90 -3.37 115.11 115.02 1y1u h GLN 340 Ca -0.29 0.00 -0.59 0.00 -0.15 0.00 0.00 58.65 57.62 1y1u h GLN 340 Cb 0.92 0.00 -0.40 0.00 1.07 0.00 0.00 27.48 29.07 1y1u h GLN 340 CO 0.66 0.23 -0.75 0.54 -2.65 0.00 0.00 178.83 176.85 1y1u s VAL 341 N -3.97 1.00 0.10 2.39 0.11 -1.26 0.12 120.40 118.89 1y1u s VAL 341 Ca -0.02 -1.60 0.08 0.00 -2.93 0.00 0.00 61.98 57.52 1y1u s VAL 341 Cb 0.12 -1.75 -0.04 0.00 -1.53 0.00 0.00 36.38 33.18 1y1u s VAL 341 CO 0.64 -0.71 -0.15 -1.48 -3.33 0.00 0.00 175.10 170.07 1y1u s LEU 342 N 1.42 2.80 -0.04 2.54 0.05 -0.70 -4.93 118.68 119.82 1y1u s LEU 342 Ca 0.11 -0.48 -0.02 0.00 0.05 0.00 0.00 54.13 53.79 1y1u s LEU 342 Cb -0.18 -1.64 -0.04 0.00 -2.05 0.00 0.00 46.19 42.28 1y1u s LEU 342 CO -0.21 0.19 0.10 -1.59 -0.55 0.00 0.00 176.35 174.29 1y1u s LYS 343 N -2.05 3.18 0.08 1.48 -2.85 -1.26 -1.53 119.74 116.79 1y1u s LYS 343 Ca 0.19 -0.38 -0.28 0.00 -1.00 0.00 0.00 55.97 54.49 1y1u s LYS 343 Cb -0.11 -2.95 -0.15 0.00 -2.06 0.00 0.00 37.83 32.57 1y1u s LYS 343 CO 0.10 0.68 0.65 -2.37 0.10 0.00 0.00 175.35 174.52 1y1u n THR 344 N 1.44 0.80 -3.46 3.79 5.66 -1.23 -2.83 114.28 118.46 1y1u n THR 344 Ca -0.15 -0.20 -0.17 0.00 -3.05 0.00 0.00 64.05 60.48 1y1u n THR 344 Cb 0.53 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.32 1y1u n THR 344 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1y1u n GLN 345 N 1.02 -1.57 -3.70 1.09 3.00 -0.32 -4.89 117.38 112.01 1y1u n GLN 345 Ca 0.16 1.16 -0.15 0.00 -0.01 0.00 0.00 57.00 58.16 1y1u n GLN 345 Cb 0.13 -3.65 -0.15 0.00 0.00 0.00 0.00 30.24 26.58 1y1u n GLN 345 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 1y1u s THR 346 N -2.81 -0.18 -0.17 5.09 2.01 -1.13 -4.91 115.64 113.53 1y1u s THR 346 Ca 0.06 0.27 -0.29 0.00 0.31 0.00 0.00 61.69 62.04 1y1u s THR 346 Cb -0.01 -0.29 -0.05 0.00 0.01 0.00 0.00 72.50 72.16 1y1u s THR 346 CO 0.84 0.11 2.03 -0.75 -0.69 0.00 0.00 174.62 176.16 1y1u s LYS 347 N 1.80 3.47 0.28 4.92 2.20 -1.26 -4.53 119.74 126.62 1y1u s LYS 347 Ca -0.03 2.04 0.03 0.00 -0.36 0.00 0.00 55.97 57.65 1y1u s LYS 347 Cb -0.12 -4.26 -0.06 0.00 -1.51 0.00 0.00 37.83 31.89 1y1u s LYS 347 CO -0.06 -1.70 0.04 -0.59 -0.36 0.00 0.00 175.35 172.67 1y1u s PHE 348 N 6.84 1.76 0.15 4.03 -0.12 -1.15 -4.92 117.98 124.56 1y1u s PHE 348 Ca 0.91 -0.97 0.03 0.00 -0.05 0.00 0.00 56.93 56.85 1y1u s PHE 348 Cb -0.33 -1.08 -0.04 0.00 -0.63 0.00 0.00 43.02 40.93 1y1u s PHE 348 CO 0.36 -0.05 -0.05 0.00 -0.05 0.00 0.00 175.22 175.43 1y1u s ALA 349 N -3.40 1.31 0.02 1.99 0.00 -1.26 -0.30 121.76 120.12 1y1u s ALA 349 Ca 0.34 -1.51 -0.15 0.00 0.00 0.00 0.00 51.96 50.64 1y1u s ALA 349 Cb 0.07 0.29 0.02 0.00 0.00 0.00 0.00 23.12 23.51 1y1u s ALA 349 CO 0.13 -0.23 0.33 0.00 0.00 0.00 0.00 175.76 175.98 1y1u s ALA 350 N -3.54 -0.77 -0.13 0.00 0.00 -0.95 -4.04 121.76 112.33 1y1u s ALA 350 Ca 0.19 0.17 -0.01 0.00 0.00 0.00 0.00 51.96 52.31 1y1u s ALA 350 Cb 0.05 0.24 0.03 0.00 0.00 0.00 0.00 23.12 23.44 1y1u s ALA 350 CO 0.01 -0.37 -0.05 0.99 0.00 0.00 0.00 175.76 176.35 1y1u s THR 351 N -2.12 0.90 -0.05 0.00 2.01 -0.73 0.14 115.64 115.78 1y1u s THR 351 Ca -0.08 -0.35 0.04 0.00 0.31 0.00 0.00 61.69 61.61 1y1u s THR 351 Cb -0.02 -1.03 -0.02 0.00 0.01 0.00 0.00 72.50 71.43 1y1u s THR 351 CO -0.00 0.22 -0.17 0.54 -0.69 0.00 0.00 174.62 174.52 1y1u s VAL 352 N 1.74 2.80 0.28 3.82 0.11 -0.15 0.13 120.40 129.14 1y1u s VAL 352 Ca 0.03 -0.81 0.03 0.00 -2.93 0.00 0.00 61.98 58.30 1y1u s VAL 352 Cb -0.14 -2.08 -0.06 0.00 -1.53 0.00 0.00 36.38 32.57 1y1u s VAL 352 CO -0.07 0.58 0.04 0.00 -3.33 0.00 0.00 175.10 172.31 1y1u s ARG 353 N -0.53 1.51 -0.16 1.54 1.70 0.50 -0.56 118.95 122.94 1y1u s ARG 353 Ca 0.07 -1.81 0.00 0.00 -0.47 0.00 0.00 55.73 53.53 1y1u s ARG 353 Cb -0.11 -0.71 0.04 0.00 -0.57 0.00 0.00 34.95 33.59 1y1u s ARG 353 CO 0.01 -0.16 -0.08 -1.17 -1.08 0.00 0.00 175.30 172.82 1y1u s LEU 354 N -3.40 1.74 0.19 -1.89 2.96 -1.16 -0.53 118.68 116.60 1y1u s LEU 354 Ca 0.34 -0.64 -0.03 0.00 -0.22 0.00 0.00 54.13 53.57 1y1u s LEU 354 Cb 0.07 -1.03 0.11 0.00 0.50 0.00 0.00 46.19 45.84 1y1u s LEU 354 CO 0.13 -0.14 1.50 -0.07 -1.32 0.00 0.00 176.35 176.45 1y1u h LEU 355 N 8.08 0.62 -0.61 -0.68 3.38 -1.73 -3.05 115.31 121.31 1y1u h LEU 355 Ca -0.28 -0.33 -0.05 0.00 0.09 0.00 0.00 57.88 57.31 1y1u h LEU 355 Cb 1.11 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 1y1u h LEU 355 CO 0.44 1.04 -0.23 -0.37 0.09 0.00 0.00 178.44 179.41 1y1u h VAL 356 N 0.43 0.47 -1.57 1.22 -1.51 -1.87 -3.34 116.25 110.07 1y1u h VAL 356 Ca 0.01 -1.34 0.50 0.00 -1.23 0.00 0.00 66.70 64.64 1y1u h VAL 356 Cb 1.09 1.97 -0.11 0.00 -2.13 0.00 0.00 31.29 32.11 1y1u h VAL 356 CO 0.10 0.23 1.07 1.23 -1.23 0.00 0.00 177.57 178.97 1y1u h GLY 357 N 2.86 0.86 0.00 5.19 0.00 -1.72 -1.24 103.07 109.02 1y1u h GLY 357 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.27 1y1u h GLY 357 CO 0.03 -0.29 0.00 0.61 0.00 0.00 0.00 176.54 176.89 1y1u n GLY 358 N -1.67 -2.76 0.00 4.60 0.00 -1.24 -3.37 105.19 100.75 1y1u n GLY 358 Ca 0.41 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.56 1y1u n GLY 358 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1y1u n LYS 359 N -1.67 0.00 -1.60 1.61 4.01 -0.47 -4.64 118.16 115.40 1y1u n LYS 359 Ca 0.00 0.00 -0.49 0.00 -0.51 0.00 0.00 58.31 57.31 1y1u n LYS 359 Cb 0.00 -0.05 -0.05 0.00 -0.51 0.00 0.00 35.03 34.43 1y1u n LYS 359 CO 0.00 0.00 0.00 1.47 -1.11 0.00 0.00 177.40 177.76 1y1u n LEU 360 N 0.00 1.87 -4.39 -0.35 -0.00 -1.20 -4.63 117.00 108.30 1y1u n LEU 360 Ca 0.00 1.13 -0.45 0.00 -0.00 0.00 0.00 56.01 56.69 1y1u n LEU 360 Cb 0.00 -1.25 -0.03 0.00 -0.00 0.00 0.00 43.42 42.14 1y1u n LEU 360 CO 0.00 -1.04 0.57 0.54 -0.00 0.00 0.00 177.39 177.46 1y1u s ASN 361 N 0.27 6.43 -0.09 1.45 4.22 -1.26 -4.29 114.94 121.66 1y1u s ASN 361 Ca 0.77 -1.86 0.04 0.00 -2.14 0.00 0.00 52.86 49.67 1y1u s ASN 361 Cb -0.85 -2.31 -0.09 0.00 1.28 0.00 0.00 41.25 39.28 1y1u s ASN 361 CO 0.49 -0.99 -0.03 0.52 -2.04 0.00 0.00 177.10 175.05 1y1u n VAL 362 N 5.19 0.59 -0.57 3.54 0.31 -1.22 -4.38 118.33 121.80 1y1u n VAL 362 Ca 0.05 -0.29 0.47 0.00 -0.01 0.00 0.00 64.34 64.55 1y1u n VAL 362 Cb 0.45 -0.83 0.76 0.00 -0.91 0.00 0.00 33.84 33.31 1y1u n VAL 362 CO 0.00 0.00 0.00 1.12 -1.32 0.00 0.00 176.83 176.63 1y1u h HIS 363 N 0.00 0.00 -0.86 3.52 2.07 -1.88 -2.81 115.15 115.19 1y1u h HIS 363 Ca -0.23 0.00 0.12 0.00 -2.85 0.00 0.00 60.37 57.41 1y1u h HIS 363 Cb 1.44 0.00 -0.08 0.00 2.57 0.00 0.00 27.41 31.34 1y1u h HIS 363 CO 0.01 0.00 0.49 0.52 -3.07 0.00 0.00 177.93 175.87 1y1u h MET 364 N 0.00 0.73 -2.47 5.12 2.07 -1.92 -3.23 114.93 115.23 1y1u h MET 364 Ca 0.81 -0.04 -0.44 0.00 -2.07 0.00 0.00 59.70 57.96 1y1u h MET 364 Cb 3.41 -0.17 -0.37 0.00 -1.87 0.00 0.00 31.60 32.61 1y1u h MET 364 CO -0.01 0.48 -0.71 0.54 1.07 0.00 0.00 176.91 178.28 1y1u s ASN 365 N -5.54 2.62 -0.10 1.22 2.20 -1.06 -5.14 114.94 109.15 1y1u s ASN 365 Ca -0.12 -1.07 -0.39 0.00 -0.94 0.00 0.00 52.86 50.35 1y1u s ASN 365 Cb 0.21 0.06 -0.16 0.00 -2.00 0.00 0.00 41.25 39.36 1y1u s ASN 365 CO 0.79 -0.41 1.53 -0.81 -2.94 0.00 0.00 177.10 175.25 1y1u n PRO 366 N 5.24 1.10 -1.82 3.55 -0.04 -1.22 -4.96 135.00 136.84 1y1u n PRO 366 Ca -0.03 0.40 -0.31 0.00 -0.04 0.00 0.00 63.50 63.52 1y1u n PRO 366 Cb 0.44 -2.06 0.03 0.00 -0.04 0.00 0.00 33.50 31.87 1y1u n PRO 366 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1y1u s PRO 367 N 1.93 3.25 -0.01 0.54 0.04 -1.26 -4.68 135.00 134.80 1y1u s PRO 367 Ca 0.91 0.69 -0.23 0.00 0.04 0.00 0.00 61.00 62.42 1y1u s PRO 367 Cb -1.03 -2.05 -0.05 0.00 0.04 0.00 0.00 34.50 31.42 1y1u s PRO 367 CO 0.56 -0.81 0.67 -1.14 0.04 0.00 0.00 177.00 176.32 1y1u s GLN 368 N -5.21 4.41 -0.19 4.56 0.74 -1.26 -1.48 119.66 121.22 1y1u s GLN 368 Ca 0.56 0.86 -0.09 0.00 0.05 0.00 0.00 55.36 56.75 1y1u s GLN 368 Cb -0.12 -3.38 -0.05 0.00 1.10 0.00 0.00 33.01 30.57 1y1u s GLN 368 CO 0.54 0.25 0.10 0.08 -0.55 0.00 0.00 175.29 175.70 1y1u s VAL 369 N 0.17 5.10 -0.24 1.34 1.01 -0.29 -4.23 120.40 123.27 1y1u s VAL 369 Ca 0.35 0.08 -0.05 0.00 0.00 0.00 0.00 61.98 62.36 1y1u s VAL 369 Cb -0.19 -3.32 -0.01 0.00 0.00 0.00 0.00 36.38 32.87 1y1u s VAL 369 CO 0.19 0.45 -0.01 -0.75 0.00 0.00 0.00 175.10 174.98 1y1u s LYS 370 N 0.39 3.36 0.24 2.72 2.20 0.17 -2.35 119.74 126.47 1y1u s LYS 370 Ca 0.06 -0.65 -0.24 0.00 -0.36 0.00 0.00 55.97 54.77 1y1u s LYS 370 Cb -0.12 -3.12 -0.09 0.00 -1.51 0.00 0.00 37.83 33.00 1y1u s LYS 370 CO -0.01 -0.24 0.83 0.00 -0.36 0.00 0.00 175.35 175.57 1y1u s ALA 371 N 1.50 3.36 -0.29 3.13 0.00 -1.26 -1.90 121.76 126.29 1y1u s ALA 371 Ca 0.05 0.38 -0.12 0.00 0.00 0.00 0.00 51.96 52.27 1y1u s ALA 371 Cb -0.15 -3.01 0.11 0.00 0.00 0.00 0.00 23.12 20.08 1y1u s ALA 371 CO -0.01 0.26 0.65 -0.08 0.00 0.00 0.00 175.76 176.58 1y1u s THR 372 N -1.41 -0.68 0.05 0.00 -1.32 -0.66 -4.90 115.64 106.73 1y1u s THR 372 Ca 0.43 0.00 -0.27 0.00 -1.21 0.00 0.00 61.69 60.64 1y1u s THR 372 Cb -0.20 -0.99 -0.05 0.00 -1.51 0.00 0.00 72.50 69.75 1y1u s THR 372 CO 0.24 0.00 0.84 -0.51 -2.21 0.00 0.00 174.62 172.98 1y1u s ILE 373 N 2.49 4.71 0.03 5.08 2.07 -1.26 -0.60 121.20 133.73 1y1u s ILE 373 Ca -0.07 1.78 0.02 0.00 -1.41 0.00 0.00 60.65 60.97 1y1u s ILE 373 Cb -0.10 -4.19 -0.02 0.00 0.13 0.00 0.00 42.46 38.28 1y1u s ILE 373 CO -0.19 0.32 -0.06 -0.51 -1.91 0.00 0.00 174.94 172.58 1y1u s ILE 374 N 0.17 0.43 0.78 2.00 1.10 -0.31 -4.10 121.20 121.26 1y1u s ILE 374 Ca 0.42 -0.88 -0.12 0.00 -0.51 0.00 0.00 60.65 59.57 1y1u s ILE 374 Cb -0.21 -0.49 0.06 0.00 0.15 0.00 0.00 42.46 41.97 1y1u s ILE 374 CO 0.25 -0.31 1.10 -0.94 -2.11 0.00 0.00 174.94 172.93 1y1u s SER 375 N -1.27 4.70 0.13 4.50 1.04 -1.22 0.14 113.70 121.73 1y1u s SER 375 Ca -0.09 1.22 -0.19 0.00 0.48 0.00 0.00 55.95 57.38 1y1u s SER 375 Cb -0.08 -1.95 -0.03 0.00 0.10 0.00 0.00 66.02 64.05 1y1u s SER 375 CO 0.00 -1.82 1.77 -0.08 0.98 0.00 0.00 173.24 174.09 1y1u h GLU 376 N -0.99 0.28 -0.90 4.02 4.81 -1.75 -1.26 114.58 118.80 1y1u h GLU 376 Ca -0.47 -0.02 0.17 0.00 -0.13 0.00 0.00 59.36 58.92 1y1u h GLU 376 Cb 1.27 -0.06 -0.10 0.00 0.63 0.00 0.00 28.75 30.48 1y1u h GLU 376 CO 0.61 0.19 0.47 0.37 -0.73 0.00 0.00 179.01 179.92 1y1u h GLN 377 N 0.29 0.60 0.02 1.92 -0.00 -1.93 -2.18 115.11 113.83 1y1u h GLN 377 Ca 0.10 -0.04 -0.24 0.00 -0.00 0.00 0.00 58.65 58.48 1y1u h GLN 377 Cb 0.01 -0.13 0.01 0.00 0.00 0.00 0.00 27.48 27.36 1y1u h GLN 377 CO -0.06 0.39 -1.00 1.96 0.00 0.00 0.00 178.83 180.13 1y1u h GLN 378 N 0.61 0.45 -0.40 1.69 4.20 -1.84 -3.03 115.11 116.78 1y1u h GLN 378 Ca 0.51 -0.51 0.01 0.00 0.06 0.00 0.00 58.65 58.72 1y1u h GLN 378 Cb 0.80 0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.71 1y1u h GLN 378 CO -0.40 1.16 0.27 0.00 -0.67 0.00 0.00 178.83 179.19 1y1u h ALA 379 N 0.66 1.73 -0.33 3.87 0.00 -0.63 0.27 119.26 124.83 1y1u h ALA 379 Ca -0.10 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1y1u h ALA 379 Cb 1.65 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.27 1y1u h ALA 379 CO 0.18 0.25 0.20 0.87 0.00 0.00 0.00 179.25 180.74 1y1u h LYS 380 N 0.53 0.44 -0.16 0.00 1.57 -1.36 -2.25 116.57 115.35 1y1u h LYS 380 Ca 0.15 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.78 1y1u h LYS 380 Cb -0.04 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 1y1u h LYS 380 CO -0.03 0.33 -0.39 0.66 -0.57 0.00 0.00 179.45 179.46 1y1u h SER 381 N 0.42 0.36 -0.38 0.86 4.64 -0.97 -2.97 113.55 115.51 1y1u h SER 381 Ca 0.12 -0.15 -0.09 0.00 -0.47 0.00 0.00 61.79 61.20 1y1u h SER 381 Cb 0.01 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 61.98 1y1u h SER 381 CO -0.02 0.72 -0.06 0.25 -0.87 0.00 0.00 176.83 176.84 1y1u h LEU 382 N 0.29 0.78 0.30 5.97 7.12 -0.41 -2.79 115.31 126.58 1y1u h LEU 382 Ca 0.03 -0.22 -0.01 0.00 0.13 0.00 0.00 57.88 57.81 1y1u h LEU 382 Cb 0.81 -0.21 0.00 0.00 -0.53 0.00 0.00 40.66 40.74 1y1u h LEU 382 CO 0.06 0.89 -0.14 -0.07 -0.13 0.00 0.00 178.44 179.05 1y1u h LEU 383 N 0.73 -0.34 -7.54 2.25 3.38 -1.24 -3.31 115.31 109.24 1y1u h LEU 383 Ca 0.13 0.01 -0.49 0.00 0.09 0.00 0.00 57.88 57.62 1y1u h LEU 383 Cb 0.54 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 1y1u h LEU 383 CO 0.03 -0.15 1.69 2.29 0.09 0.00 0.00 178.44 182.40 1y1u n LYS 384 N -3.62 2.02 -0.78 1.13 2.85 -1.20 -4.80 118.16 113.75 1y1u n LYS 384 Ca -0.05 -2.55 0.00 0.00 -1.05 0.00 0.00 58.31 54.66 1y1u n LYS 384 Cb 0.16 -3.50 0.00 0.00 -0.65 0.00 0.00 35.03 31.04 1y1u n LYS 384 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1y1u n ASN 385 N 11.22 -1.24 -3.45 -5.58 2.04 -1.25 -4.75 115.26 112.26 1y1u n ASN 385 Ca 0.47 -0.80 -0.26 0.00 -0.44 0.00 0.00 54.58 53.54 1y1u n ASN 385 Cb 0.45 -0.27 -0.09 0.00 -2.53 0.00 0.00 39.78 37.33 1y1u n ASN 385 CO 0.00 0.00 0.00 -1.84 -0.44 0.00 0.00 177.26 174.98 1y1u n GLU 386 N 3.20 1.14 -1.12 -3.83 0.00 -1.05 -5.08 120.64 113.90 1y1u n GLU 386 Ca 0.00 -3.76 -0.07 0.00 0.00 0.00 0.00 57.16 53.33 1y1u n GLU 386 Cb 0.31 -1.79 0.04 0.00 0.00 0.00 0.00 31.44 30.00 1y1u n GLU 386 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1y1u n ASN 387 N 1.86 0.35 -3.42 -1.84 3.02 -1.26 -4.75 115.26 109.23 1y1u n ASN 387 Ca 0.25 -1.31 -0.26 0.00 -0.03 0.00 0.00 54.58 53.23 1y1u n ASN 387 Cb 0.45 -0.20 -0.09 0.00 -0.61 0.00 0.00 39.78 39.34 1y1u n ASN 387 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1y1u n THR 388 N -1.89 0.86 -0.92 3.41 -2.24 -1.26 -5.06 114.28 107.18 1y1u n THR 388 Ca 0.05 -4.57 -0.00 0.00 -2.27 0.00 0.00 64.05 57.26 1y1u n THR 388 Cb 0.17 -2.02 -0.00 0.00 -2.10 0.00 0.00 70.33 66.38 1y1u n THR 388 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1y1u n ARG 389 N 1.44 0.00 0.02 -0.78 0.00 -1.26 -2.88 116.66 113.20 1y1u n ARG 389 Ca 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.11 1y1u n ARG 389 Cb 0.45 -0.91 0.00 0.00 0.00 0.00 0.00 32.46 31.99 1y1u n ARG 389 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1y1u n ASN 390 N 4.12 -0.34 -4.75 6.15 2.85 -1.26 -5.15 115.26 116.87 1y1u n ASN 390 Ca 0.00 0.17 -0.32 0.00 -0.11 0.00 0.00 54.58 54.32 1y1u n ASN 390 Cb 0.46 0.52 0.08 0.00 1.24 0.00 0.00 39.78 42.07 1y1u n ASN 390 CO 0.00 0.00 0.00 -1.83 -2.11 0.00 0.00 177.26 173.32 1y1u s GLU 391 N -2.00 2.40 -0.42 1.20 4.04 -1.14 -5.03 118.70 117.75 1y1u s GLU 391 Ca 0.00 1.40 0.03 0.00 0.04 0.00 0.00 54.97 56.44 1y1u s GLU 391 Cb 0.00 -1.90 0.27 0.00 0.02 0.00 0.00 34.13 32.52 1y1u s GLU 391 CO 0.00 -1.56 1.09 0.00 -1.84 0.00 0.00 175.26 172.94 1y1u n SER 393 N 1.31 -1.51 0.00 0.00 7.64 -1.26 -0.17 113.62 119.63 1y1u n SER 393 Ca 0.05 -0.98 0.00 0.00 1.01 0.00 0.00 58.87 58.95 1y1u n SER 393 Cb 0.68 -0.32 0.00 0.00 -1.01 0.00 0.00 64.21 63.55 1y1u n SER 393 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1y1u n GLY 394 N 3.94 0.06 0.49 0.23 0.00 -1.26 -3.41 105.19 105.24 1y1u n GLY 394 Ca 0.00 -0.01 0.07 0.00 0.00 0.00 0.00 46.02 46.07 1y1u n GLY 394 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1y1u n GLU 395 N 0.00 -1.00 -0.75 1.61 -0.58 0.77 -4.37 120.64 116.33 1y1u n GLU 395 Ca 0.00 0.68 -0.32 0.00 -0.42 0.00 0.00 57.16 57.10 1y1u n GLU 395 Cb 0.00 -1.21 0.14 0.00 -0.57 0.00 0.00 31.44 29.80 1y1u n GLU 395 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 1y1u n ILE 396 N -2.33 0.00 -3.71 -3.67 -5.35 -1.26 -4.53 119.36 98.51 1y1u n ILE 396 Ca -0.00 -0.14 -0.11 0.00 -0.27 0.00 0.00 62.75 62.23 1y1u n ILE 396 Cb 0.22 -0.75 -0.12 0.00 -1.74 0.00 0.00 39.64 37.26 1y1u n ILE 396 CO 0.00 0.00 0.00 -1.48 -1.76 0.00 0.00 176.55 173.31 1y1u s LEU 397 N -3.00 0.10 -0.51 7.28 0.05 -1.26 -3.41 118.68 117.93 1y1u s LEU 397 Ca 0.60 0.76 -0.03 0.00 0.05 0.00 0.00 54.13 55.50 1y1u s LEU 397 Cb -0.22 1.12 -0.04 0.00 -2.05 0.00 0.00 46.19 45.00 1y1u s LEU 397 CO 0.64 -0.18 1.73 0.59 -0.55 0.00 0.00 176.35 178.58 1y1u n ASN 398 N 4.23 3.07 -3.65 1.48 3.02 -0.93 -4.72 115.26 117.75 1y1u n ASN 398 Ca -0.24 -2.16 -0.03 0.00 -0.03 0.00 0.00 54.58 52.13 1y1u n ASN 398 Cb 0.54 -0.84 -0.07 0.00 -0.61 0.00 0.00 39.78 38.81 1y1u n ASN 398 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1y1u s ASN 399 N 3.72 -0.04 -0.31 6.41 3.04 -1.26 -4.45 114.94 122.06 1y1u s ASN 399 Ca 0.26 0.07 -0.05 0.00 0.04 0.00 0.00 52.86 53.18 1y1u s ASN 399 Cb 0.08 0.07 0.19 0.00 -1.54 0.00 0.00 41.25 40.05 1y1u s ASN 399 CO -0.02 -0.01 0.91 0.00 -3.04 0.00 0.00 177.10 174.93 1y1u s VAL 402 N -2.63 4.52 0.75 0.00 1.01 -1.26 -1.13 120.40 121.66 1y1u s VAL 402 Ca 0.39 1.65 -0.13 0.00 0.00 0.00 0.00 61.98 63.89 1y1u s VAL 402 Cb 0.04 -4.12 0.05 0.00 0.00 0.00 0.00 36.38 32.35 1y1u s VAL 402 CO 0.21 0.47 1.13 -0.04 0.00 0.00 0.00 175.10 176.87 1y1u s MET 403 N -0.74 2.23 -0.17 2.72 1.00 -0.55 -4.75 119.30 119.04 1y1u s MET 403 Ca 0.36 1.44 -0.04 0.00 0.00 0.00 0.00 55.69 57.45 1y1u s MET 403 Cb -0.22 -1.87 0.08 0.00 0.00 0.00 0.00 34.83 32.82 1y1u s MET 403 CO 0.25 -1.70 0.28 -1.83 0.00 0.00 0.00 175.02 172.02 1y1u s GLU 404 N -4.36 0.20 -0.07 2.03 -1.05 0.21 -4.77 118.70 110.90 1y1u s GLU 404 Ca 0.67 0.63 -0.30 0.00 -0.15 0.00 0.00 54.97 55.82 1y1u s GLU 404 Cb -0.22 -0.32 -0.03 0.00 -0.44 0.00 0.00 34.13 33.13 1y1u s GLU 404 CO 0.49 -0.41 1.14 -0.47 0.95 0.00 0.00 175.26 176.96 1y1u s TYR 405 N 2.44 3.29 -0.88 4.83 5.04 -1.26 -2.62 117.35 128.19 1y1u s TYR 405 Ca 0.04 1.33 -0.16 0.00 -2.44 0.00 0.00 57.07 55.84 1y1u s TYR 405 Cb -0.13 -3.35 0.19 0.00 0.35 0.00 0.00 41.96 39.01 1y1u s TYR 405 CO -0.11 -0.98 0.93 -1.01 -1.34 0.00 0.00 175.55 173.04 1y1u s HIS 406 N 2.14 3.52 0.27 4.97 3.76 -0.86 -5.01 115.29 124.09 1y1u s HIS 406 Ca 0.54 -1.77 -0.27 0.00 -0.15 0.00 0.00 55.06 53.40 1y1u s HIS 406 Cb -0.23 -4.01 -0.15 0.00 1.11 0.00 0.00 32.58 29.30 1y1u s HIS 406 CO 0.21 -1.19 0.68 1.04 -0.85 0.00 0.00 174.74 174.62 1y1u n GLN 407 N 4.98 0.57 -3.48 1.40 3.00 -1.26 -1.79 117.38 120.80 1y1u n GLN 407 Ca 0.18 0.20 -0.19 0.00 -0.01 0.00 0.00 57.00 57.18 1y1u n GLN 407 Cb 0.48 -1.38 0.09 0.00 0.00 0.00 0.00 30.24 29.43 1y1u n GLN 407 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1y1u n ALA 408 N -0.09 -1.75 0.00 -1.58 0.00 -1.26 -4.64 120.51 111.19 1y1u n ALA 408 Ca 0.14 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1y1u n ALA 408 Cb 0.30 -3.52 0.00 0.00 0.00 0.00 0.00 19.45 16.23 1y1u n ALA 408 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1y1u n THR 409 N -4.43 0.00 -0.96 0.00 -1.04 -0.93 -5.00 114.28 101.91 1y1u n THR 409 Ca -0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 1y1u n THR 409 Cb 0.63 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.14 1y1u n THR 409 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1y1u n GLY 410 N -0.43 0.65 3.59 3.41 0.00 -0.74 -4.98 105.19 106.69 1y1u n GLY 410 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1y1u n GLY 410 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1y1u s THR 411 N -2.75 4.12 -1.24 2.61 -4.23 -1.24 -3.73 115.64 109.18 1y1u s THR 411 Ca 0.00 1.09 -0.18 0.00 -1.18 0.00 0.00 61.69 61.43 1y1u s THR 411 Cb 0.00 -4.64 0.09 0.00 1.34 0.00 0.00 72.50 69.29 1y1u s THR 411 CO 0.00 -1.13 1.62 -0.22 -0.54 0.00 0.00 174.62 174.35 1y1u s LEU 412 N 4.70 4.12 0.96 4.79 0.20 -1.26 -2.02 118.68 130.16 1y1u s LEU 412 Ca 0.47 -2.46 -0.15 0.00 0.69 0.00 0.00 54.13 52.68 1y1u s LEU 412 Cb -0.07 -2.53 0.17 0.00 -0.43 0.00 0.00 46.19 43.33 1y1u s LEU 412 CO 0.30 -1.11 1.20 -0.44 -0.29 0.00 0.00 176.35 176.01 1y1u s SER 413 N 3.97 3.09 -0.29 3.68 0.01 -1.08 -2.97 113.70 120.13 1y1u s SER 413 Ca 0.50 0.65 0.02 0.00 1.31 0.00 0.00 55.95 58.43 1y1u s SER 413 Cb 0.02 -0.98 0.18 0.00 0.21 0.00 0.00 66.02 65.45 1y1u s SER 413 CO 0.04 -2.78 0.51 0.00 0.41 0.00 0.00 173.24 171.42 1y1u s ALA 414 N -3.48 -1.83 -0.21 1.44 0.00 0.28 -0.62 121.76 117.33 1y1u s ALA 414 Ca 0.68 0.93 -0.16 0.00 0.00 0.00 0.00 51.96 53.41 1y1u s ALA 414 Cb -0.10 -2.21 -0.04 0.00 0.00 0.00 0.00 23.12 20.77 1y1u s ALA 414 CO 0.53 -1.63 0.42 -1.01 0.00 0.00 0.00 175.76 174.07 1y1u s HIS 415 N 2.71 3.35 -1.11 0.00 3.76 -1.26 -0.97 115.29 121.77 1y1u s HIS 415 Ca 0.12 0.62 -0.07 0.00 -0.15 0.00 0.00 55.06 55.59 1y1u s HIS 415 Cb -0.12 -2.56 0.28 0.00 1.11 0.00 0.00 32.58 31.29 1y1u s HIS 415 CO -0.25 -0.06 1.37 1.19 -0.85 0.00 0.00 174.74 176.14 1y1u n PHE 416 N 4.66 3.55 1.93 1.40 3.01 0.36 -4.88 117.46 127.49 1y1u n PHE 416 Ca -0.08 -3.13 0.07 0.00 1.01 0.00 0.00 57.45 55.33 1y1u n PHE 416 Cb 0.51 -1.50 0.43 0.00 -0.01 0.00 0.00 39.48 38.90 1y1u n PHE 416 CO 0.00 0.00 0.00 2.89 1.01 0.00 0.00 176.76 180.66 1y1u n ARG 417 N 2.14 0.96 -2.78 -1.08 1.85 -1.26 -2.23 116.66 114.26 1y1u n ARG 417 Ca 0.26 0.00 -0.07 0.00 -1.00 0.00 0.00 57.85 57.05 1y1u n ARG 417 Cb 0.36 -1.23 0.02 0.00 -1.05 0.00 0.00 32.46 30.56 1y1u n ARG 417 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 1y1u n ASN 418 N -0.73 -3.07 -4.52 2.89 6.94 -1.25 -4.69 115.26 110.83 1y1u n ASN 418 Ca 0.11 -3.06 -0.26 0.00 -0.02 0.00 0.00 54.58 51.35 1y1u n ASN 418 Cb 0.05 1.67 0.13 0.00 -2.36 0.00 0.00 39.78 39.27 1y1u n ASN 418 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 1y1u s MET 419 N 0.73 1.38 -0.25 -3.83 -1.94 0.58 -4.69 119.30 111.29 1y1u s MET 419 Ca 0.31 -0.84 -0.24 0.00 -1.71 0.00 0.00 55.69 53.21 1y1u s MET 419 Cb 0.10 -2.17 0.07 0.00 2.01 0.00 0.00 34.83 34.84 1y1u s MET 419 CO -0.14 -1.74 0.69 0.45 -0.01 0.00 0.00 175.02 174.27 1y1u s SER 420 N -4.77 -0.72 0.21 3.03 0.15 -1.26 -2.95 113.70 107.39 1y1u s SER 420 Ca 0.68 1.37 -0.02 0.00 0.70 0.00 0.00 55.95 58.69 1y1u s SER 420 Cb -0.05 1.38 -0.04 0.00 -1.71 0.00 0.00 66.02 65.60 1y1u s SER 420 CO 0.47 -0.25 0.41 -0.76 1.20 0.00 0.00 173.24 174.31 1y1u s LEU 421 N 0.32 4.21 -0.21 3.45 2.01 -1.26 -2.20 118.68 124.99 1y1u s LEU 421 Ca -0.00 0.45 -0.17 0.00 0.01 0.00 0.00 54.13 54.42 1y1u s LEU 421 Cb -0.05 -3.22 0.06 0.00 0.01 0.00 0.00 46.19 42.99 1y1u s LEU 421 CO 0.01 -0.06 0.55 -0.54 1.01 0.00 0.00 176.35 177.33 1y1u s LYS 422 N -3.30 0.62 0.20 1.70 1.02 -1.22 -1.17 119.74 117.58 1y1u s LYS 422 Ca 0.39 0.86 0.00 0.00 0.02 0.00 0.00 55.97 57.24 1y1u s LYS 422 Cb -0.11 0.23 0.00 0.00 -0.52 0.00 0.00 37.83 37.43 1y1u s LYS 422 CO 0.29 -0.10 0.00 0.54 -0.92 0.00 0.00 175.35 175.15 1y1u n ARG 423 N 3.30 -3.36 0.00 1.68 1.74 -1.26 -4.35 116.66 114.41 1y1u n ARG 423 Ca -0.16 2.47 0.00 0.00 -0.77 0.00 0.00 57.85 59.39 1y1u n ARG 423 Cb 0.56 -2.63 0.00 0.00 -1.02 0.00 0.00 32.46 29.38 1y1u n ARG 423 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1y1u n GLU 433 N 0.51 0.00 -3.60 5.56 1.02 -1.26 -4.66 120.64 118.21 1y1u n GLU 433 Ca 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.05 1y1u n GLU 433 Cb 0.00 -1.35 -0.02 0.00 -0.02 0.00 0.00 31.44 30.05 1y1u n GLU 433 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1y1u s SER 434 N 1.43 -0.38 0.31 1.62 1.04 -1.26 -5.03 113.70 111.43 1y1u s SER 434 Ca 0.00 -0.21 0.10 0.00 0.48 0.00 0.00 55.95 56.32 1y1u s SER 434 Cb 0.00 0.56 0.50 0.00 0.10 0.00 0.00 66.02 67.18 1y1u s SER 434 CO 0.00 -0.97 1.70 0.58 0.98 0.00 0.00 173.24 175.54 1y1u h VAL 435 N 2.00 1.35 0.00 5.02 2.07 -1.98 -3.09 116.25 121.62 1y1u h VAL 435 Ca -0.26 -1.67 0.00 0.00 0.82 0.00 0.00 66.70 65.58 1y1u h VAL 435 Cb 1.27 1.87 0.00 0.00 -1.52 0.00 0.00 31.29 32.90 1y1u h VAL 435 CO 0.31 0.48 0.00 1.07 0.02 0.00 0.00 177.57 179.45 1y1u n THR 436 N -3.96 0.44 0.38 2.57 5.66 -1.26 -2.68 114.28 115.43 1y1u n THR 436 Ca -0.02 0.10 0.05 0.00 -3.05 0.00 0.00 64.05 61.13 1y1u n THR 436 Cb 0.51 -0.72 0.04 0.00 -1.55 0.00 0.00 70.33 68.61 1y1u n THR 436 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1y1u n GLU 437 N -1.55 0.35 -2.11 1.09 1.02 -1.17 -4.08 120.64 114.19 1y1u n GLU 437 Ca 0.05 -1.03 -0.43 0.00 -0.02 0.00 0.00 57.16 55.73 1y1u n GLU 437 Cb 0.27 -1.17 -0.02 0.00 -0.02 0.00 0.00 31.44 30.50 1y1u n GLU 437 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1y1u s GLU 438 N -0.79 3.51 -0.10 3.49 2.02 -1.09 -4.97 118.70 120.78 1y1u s GLU 438 Ca 0.11 1.37 -0.17 0.00 0.02 0.00 0.00 54.97 56.30 1y1u s GLU 438 Cb 0.08 -4.11 -0.05 0.00 0.10 0.00 0.00 34.13 30.15 1y1u s GLU 438 CO 0.12 -1.64 0.46 0.15 0.02 0.00 0.00 175.26 174.37 1y1u s LYS 439 N 5.22 4.27 0.15 1.61 1.02 -1.26 -4.36 119.74 126.40 1y1u s LYS 439 Ca 0.73 0.44 0.07 0.00 0.02 0.00 0.00 55.97 57.23 1y1u s LYS 439 Cb -0.21 -3.40 -0.04 0.00 -0.52 0.00 0.00 37.83 33.66 1y1u s LYS 439 CO 0.32 0.26 -0.16 -0.06 -0.92 0.00 0.00 175.35 174.79 1y1u s PHE 440 N 0.30 1.65 -0.01 3.18 0.40 -0.28 -1.99 117.98 121.23 1y1u s PHE 440 Ca 0.25 -0.51 0.03 0.00 -0.60 0.00 0.00 56.93 56.10 1y1u s PHE 440 Cb -0.15 -0.83 -0.01 0.00 0.51 0.00 0.00 43.02 42.54 1y1u s PHE 440 CO 0.11 0.26 -0.11 -0.08 0.70 0.00 0.00 175.22 176.09 1y1u s THR 441 N -2.15 0.90 -0.29 0.64 -1.32 0.12 0.64 115.64 114.19 1y1u s THR 441 Ca 0.13 -0.48 -0.25 0.00 -1.21 0.00 0.00 61.69 59.88 1y1u s THR 441 Cb -0.05 -0.75 0.00 0.00 -1.51 0.00 0.00 72.50 70.19 1y1u s THR 441 CO 0.05 0.26 0.87 -0.69 -2.21 0.00 0.00 174.62 172.89 1y1u s VAL 442 N -0.24 4.75 -0.03 5.08 1.01 -1.26 -1.16 120.40 128.55 1y1u s VAL 442 Ca 0.04 1.44 -0.19 0.00 0.00 0.00 0.00 61.98 63.28 1y1u s VAL 442 Cb -0.05 -4.20 -0.05 0.00 0.00 0.00 0.00 36.38 32.09 1y1u s VAL 442 CO -0.00 -0.23 0.53 -0.22 0.00 0.00 0.00 175.10 175.17 1y1u s LEU 443 N 3.06 4.40 -0.26 3.92 2.96 0.23 -0.54 118.68 132.46 1y1u s LEU 443 Ca 0.36 1.04 -0.02 0.00 -0.22 0.00 0.00 54.13 55.30 1y1u s LEU 443 Cb -0.14 -2.80 0.03 0.00 0.50 0.00 0.00 46.19 43.78 1y1u s LEU 443 CO 0.11 0.13 -0.05 -0.36 -1.32 0.00 0.00 176.35 174.87 1y1u s PHE 444 N -0.22 3.10 0.04 5.38 0.40 0.77 -1.65 117.98 125.81 1y1u s PHE 444 Ca 0.28 -1.58 0.09 0.00 -0.60 0.00 0.00 56.93 55.13 1y1u s PHE 444 Cb -0.17 -2.07 -0.03 0.00 0.51 0.00 0.00 43.02 41.26 1y1u s PHE 444 CO 0.15 -0.73 -0.26 -1.83 0.70 0.00 0.00 175.22 173.24 1y1u s GLU 445 N 1.32 1.79 0.06 0.44 -1.05 -0.80 -1.60 118.70 118.86 1y1u s GLU 445 Ca -0.01 -1.10 -0.15 0.00 -0.15 0.00 0.00 54.97 53.56 1y1u s GLU 445 Cb -0.17 -1.96 0.03 0.00 -0.44 0.00 0.00 34.13 31.59 1y1u s GLU 445 CO -0.04 0.51 0.35 0.45 0.95 0.00 0.00 175.26 177.48 1y1u s SER 446 N -1.21 -0.19 0.05 0.83 0.15 -0.87 0.43 113.70 112.90 1y1u s SER 446 Ca 0.11 -0.15 0.01 0.00 0.70 0.00 0.00 55.95 56.62 1y1u s SER 446 Cb -0.10 0.40 -0.03 0.00 -1.71 0.00 0.00 66.02 64.58 1y1u s SER 446 CO 0.02 -0.67 -0.05 -1.58 1.20 0.00 0.00 173.24 172.16 1y1u s GLN 447 N -2.74 0.55 0.00 5.44 0.74 -1.26 -0.49 119.66 121.91 1y1u s GLN 447 Ca -0.04 -0.95 0.00 0.00 0.05 0.00 0.00 55.36 54.43 1y1u s GLN 447 Cb -0.00 -0.05 0.00 0.00 1.10 0.00 0.00 33.01 34.06 1y1u s GLN 447 CO -0.04 -0.03 0.00 1.97 -0.55 0.00 0.00 175.29 176.64 1y1u n PHE 448 N 0.87 0.00 -4.52 1.67 -1.74 -0.35 -4.67 117.46 108.72 1y1u n PHE 448 Ca -0.19 0.00 -0.32 0.00 -0.56 0.00 0.00 57.45 56.38 1y1u n PHE 448 Cb 0.57 0.00 -0.11 0.00 1.52 0.00 0.00 39.48 41.46 1y1u n PHE 448 CO 0.00 0.00 0.00 -1.54 -0.56 0.00 0.00 176.76 174.66 1y1u s SER 449 N 0.00 4.38 -0.12 5.98 1.04 -1.26 0.45 113.70 124.16 1y1u s SER 449 Ca 0.00 -0.23 -0.05 0.00 0.48 0.00 0.00 55.95 56.15 1y1u s SER 449 Cb 0.00 -0.94 -0.04 0.00 0.10 0.00 0.00 66.02 65.14 1y1u s SER 449 CO 0.00 0.27 0.08 -0.69 0.98 0.00 0.00 173.24 173.88 1y1u s VAL 450 N -0.98 4.96 0.00 5.02 1.01 0.39 -4.81 120.40 125.99 1y1u s VAL 450 Ca 0.16 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.15 1y1u s VAL 450 Cb -0.11 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.12 1y1u s VAL 450 CO 0.07 0.58 0.00 0.61 0.00 0.00 0.00 175.10 176.36 1y1u n GLY 451 N 2.38 -1.93 0.30 4.51 0.00 -1.26 -3.96 105.19 105.23 1y1u n GLY 451 Ca -0.19 -1.51 0.04 0.00 0.00 0.00 0.00 46.02 44.37 1y1u n GLY 451 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1y1u h SER 452 N 0.00 0.59 0.00 1.61 0.02 -1.94 -3.44 113.55 110.39 1y1u h SER 452 Ca 0.00 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1y1u h SER 452 Cb 0.00 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.50 1y1u h SER 452 CO 0.00 0.31 0.00 -3.20 -1.14 0.00 0.00 176.83 172.80 1y1u n ASN 453 N -4.81 0.00 0.00 3.07 5.15 -1.26 -5.11 115.26 112.31 1y1u n ASN 453 Ca 0.14 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.12 1y1u n ASN 453 Cb 0.33 0.16 0.00 0.00 -0.53 0.00 0.00 39.78 39.74 1y1u n ASN 453 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 1y1u n GLU 454 N -1.73 0.00 -2.30 1.20 0.28 -1.26 -4.14 120.64 112.69 1y1u n GLU 454 Ca 0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.58 1y1u n GLU 454 Cb 0.00 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 32.84 1y1u n GLU 454 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1y1u s LEU 455 N -1.90 4.41 -0.04 -1.84 1.02 -1.25 -4.94 118.68 114.15 1y1u s LEU 455 Ca 0.00 2.26 0.02 0.00 0.02 0.00 0.00 54.13 56.43 1y1u s LEU 455 Cb 0.00 -3.60 0.01 0.00 0.02 0.00 0.00 46.19 42.62 1y1u s LEU 455 CO 0.00 -0.48 -0.08 0.54 0.02 0.00 0.00 176.35 176.35 1y1u s VAL 456 N 0.39 0.74 0.22 -1.59 0.11 -1.26 -0.46 120.40 118.54 1y1u s VAL 456 Ca 0.57 -0.29 0.09 0.00 -2.93 0.00 0.00 61.98 59.42 1y1u s VAL 456 Cb -0.34 -0.69 -0.05 0.00 -1.53 0.00 0.00 36.38 33.77 1y1u s VAL 456 CO 0.35 0.25 -0.16 -0.36 -3.33 0.00 0.00 175.10 171.85 1y1u s PHE 457 N 0.52 1.84 -0.25 1.54 0.08 0.17 -4.96 117.98 116.91 1y1u s PHE 457 Ca -0.08 -0.52 0.02 0.00 0.12 0.00 0.00 56.93 56.47 1y1u s PHE 457 Cb -0.12 -0.84 0.06 0.00 -0.57 0.00 0.00 43.02 41.55 1y1u s PHE 457 CO 0.01 0.43 -0.07 1.14 -0.10 0.00 0.00 175.22 176.63 1y1u s GLN 458 N -3.56 1.84 0.21 0.44 -2.07 -1.26 -1.21 119.66 114.04 1y1u s GLN 458 Ca 0.24 -1.18 -0.21 0.00 -1.82 0.00 0.00 55.36 52.39 1y1u s GLN 458 Cb -0.02 -2.73 -0.08 0.00 -1.09 0.00 0.00 33.01 29.09 1y1u s GLN 458 CO 0.08 -0.61 0.73 0.14 -1.32 0.00 0.00 175.29 174.32 1y1u s VAL 459 N 1.26 4.52 0.07 3.63 -7.23 0.36 -4.95 120.40 118.06 1y1u s VAL 459 Ca -0.06 1.39 0.04 0.00 -1.81 0.00 0.00 61.98 61.54 1y1u s VAL 459 Cb -0.19 -3.92 -0.03 0.00 0.56 0.00 0.00 36.38 32.79 1y1u s VAL 459 CO -0.06 0.29 -0.12 -0.54 -0.31 0.00 0.00 175.10 174.36 1y1u s LYS 460 N -1.76 0.78 -0.21 4.82 1.02 -1.26 -2.04 119.74 121.09 1y1u s LYS 460 Ca 0.41 -0.98 -0.15 0.00 0.02 0.00 0.00 55.97 55.27 1y1u s LYS 460 Cb -0.18 -0.65 0.06 0.00 -0.52 0.00 0.00 37.83 36.54 1y1u s LYS 460 CO 0.22 0.13 0.54 -0.08 -0.92 0.00 0.00 175.35 175.24 1y1u s THR 461 N -1.63 -0.01 -0.08 2.17 -1.32 -0.63 -4.94 115.64 109.21 1y1u s THR 461 Ca -0.01 0.03 -0.05 0.00 -1.21 0.00 0.00 61.69 60.44 1y1u s THR 461 Cb -0.08 -0.77 -0.04 0.00 -1.51 0.00 0.00 72.50 70.10 1y1u s THR 461 CO 0.01 0.01 0.15 -0.76 -2.21 0.00 0.00 174.62 171.82 1y1u s LEU 462 N 0.97 4.34 0.59 9.08 1.43 -1.26 -0.16 118.68 133.66 1y1u s LEU 462 Ca -0.05 0.41 -0.12 0.00 -1.03 0.00 0.00 54.13 53.34 1y1u s LEU 462 Cb -0.06 -2.22 -0.05 0.00 0.03 0.00 0.00 46.19 43.89 1y1u s LEU 462 CO -0.09 0.36 1.00 -0.94 0.23 0.00 0.00 176.35 176.92 1y1u s SER 463 N -1.31 6.31 0.99 2.29 1.04 0.30 -4.95 113.70 118.38 1y1u s SER 463 Ca 0.19 1.41 -0.12 0.00 0.48 0.00 0.00 55.95 57.90 1y1u s SER 463 Cb -0.12 -2.46 0.12 0.00 0.10 0.00 0.00 66.02 63.66 1y1u s SER 463 CO 0.08 -0.78 0.70 0.18 0.98 0.00 0.00 173.24 174.40 1y1u n LEU 464 N -2.46 0.64 -4.77 2.42 4.77 -1.26 -4.57 117.00 111.76 1y1u n LEU 464 Ca 0.06 0.24 -0.31 0.00 -0.03 0.00 0.00 56.01 55.97 1y1u n LEU 464 Cb 0.54 -1.28 0.09 0.00 -2.33 0.00 0.00 43.42 40.44 1y1u n LEU 464 CO 0.55 -3.00 0.70 -2.84 -1.33 0.00 0.00 177.39 171.47 1y1u s PRO 465 N -4.07 2.16 0.03 3.23 0.02 -1.26 -4.60 135.00 130.51 1y1u s PRO 465 Ca 0.62 1.03 0.02 0.00 0.02 0.00 0.00 61.00 62.69 1y1u s PRO 465 Cb -0.21 -1.90 -0.02 0.00 0.02 0.00 0.00 34.50 32.39 1y1u s PRO 465 CO 0.64 -1.67 -0.07 0.08 -0.33 0.00 0.00 177.00 175.64 1y1u s VAL 466 N -2.95 0.54 -0.25 3.83 1.01 0.21 -4.72 120.40 118.06 1y1u s VAL 466 Ca 0.61 -0.87 0.02 0.00 0.00 0.00 0.00 61.98 61.74 1y1u s VAL 466 Cb -0.17 -0.56 0.05 0.00 0.00 0.00 0.00 36.38 35.70 1y1u s VAL 466 CO 0.56 -0.24 -0.11 -0.69 0.00 0.00 0.00 175.10 174.61 1y1u s VAL 467 N -1.05 2.30 -0.12 2.92 1.01 0.32 -1.12 120.40 124.66 1y1u s VAL 467 Ca -0.07 -1.44 -0.21 0.00 0.00 0.00 0.00 61.98 60.27 1y1u s VAL 467 Cb -0.08 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 1y1u s VAL 467 CO 0.00 0.08 0.59 -0.69 0.00 0.00 0.00 175.10 175.09 1y1u s VAL 468 N 1.17 5.10 -0.21 2.92 1.01 -1.25 -1.72 120.40 127.41 1y1u s VAL 468 Ca -0.05 1.18 0.01 0.00 0.00 0.00 0.00 61.98 63.12 1y1u s VAL 468 Cb -0.18 -3.92 0.05 0.00 0.00 0.00 0.00 36.38 32.32 1y1u s VAL 468 CO -0.06 0.25 -0.09 0.27 0.00 0.00 0.00 175.10 175.47 1y1u s ILE 469 N 0.97 1.67 -0.45 2.22 -4.36 -0.58 -4.88 121.20 115.79 1y1u s ILE 469 Ca 0.31 -1.13 -0.14 0.00 -0.26 0.00 0.00 60.65 59.43 1y1u s ILE 469 Cb -0.16 -1.80 0.06 0.00 1.25 0.00 0.00 42.46 41.81 1y1u s ILE 469 CO 0.13 0.09 0.35 0.54 0.24 0.00 0.00 174.94 176.29 1y1u s VAL 470 N 1.36 5.08 0.00 8.37 0.11 -1.26 -3.50 120.40 130.56 1y1u s VAL 470 Ca -0.03 -1.03 0.00 0.00 -2.93 0.00 0.00 61.98 57.99 1y1u s VAL 470 Cb -0.17 -4.00 0.00 0.00 -1.53 0.00 0.00 36.38 30.68 1y1u s VAL 470 CO -0.07 -0.51 0.00 1.41 -3.33 0.00 0.00 175.10 172.60 1y1u n HIS 471 N 5.15 -0.29 0.00 1.54 -0.00 -1.26 -5.06 115.22 115.30 1y1u n HIS 471 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.60 1y1u n HIS 471 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.43 1y1u n HIS 471 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1y1u n GLY 472 N 0.00 0.90 3.10 -1.41 0.00 -1.26 -5.06 105.19 101.46 1y1u n GLY 472 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1y1u n GLY 472 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1y1u s SER 473 N -1.00 0.03 -0.46 1.61 0.01 -1.26 -4.99 113.70 107.64 1y1u s SER 473 Ca 0.00 0.71 0.08 0.00 1.31 0.00 0.00 55.95 58.05 1y1u s SER 473 Cb 0.00 0.82 0.38 0.00 0.21 0.00 0.00 66.02 67.42 1y1u s SER 473 CO 0.00 -0.22 0.93 0.00 0.41 0.00 0.00 173.24 174.36 1y1u n GLN 474 N 5.08 2.45 -0.28 12.44 6.02 -1.26 -4.82 117.38 137.01 1y1u n GLN 474 Ca -0.11 -4.21 0.16 0.00 -0.01 0.00 0.00 57.00 52.83 1y1u n GLN 474 Cb 0.51 -1.98 0.44 0.00 1.02 0.00 0.00 30.24 30.22 1y1u n GLN 474 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 1y1u h ASP 475 N 2.90 0.56 0.21 1.08 3.32 -2.00 -3.10 116.42 119.38 1y1u h ASP 475 Ca 0.13 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 1y1u h ASP 475 Cb 0.80 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.30 1y1u h ASP 475 CO 0.71 0.23 -0.13 0.45 -1.72 0.00 0.00 179.24 178.77 1y1u h HIS 476 N 0.56 -0.33 -0.37 4.55 3.86 -1.98 0.21 115.15 121.65 1y1u h HIS 476 Ca 0.50 -0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.55 1y1u h HIS 476 Cb 1.02 0.12 -0.01 0.00 1.06 0.00 0.00 27.41 29.61 1y1u h HIS 476 CO -0.00 -0.20 -0.35 -0.91 0.86 0.00 0.00 177.93 177.32 1y1u h ASN 477 N -0.33 0.96 -0.10 2.45 2.35 -1.92 -3.02 115.58 115.98 1y1u h ASN 477 Ca -0.02 -0.46 -0.01 0.00 -0.55 0.00 0.00 56.30 55.26 1y1u h ASN 477 Cb 0.27 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 1y1u h ASN 477 CO 0.02 1.22 0.03 0.00 -1.65 0.00 0.00 177.43 177.06 1y1u h ALA 478 N 0.77 0.13 0.00 -0.83 0.00 -1.54 -2.64 119.26 115.15 1y1u h ALA 478 Ca 0.06 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1y1u h ALA 478 Cb 0.94 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1y1u h ALA 478 CO 0.09 -0.27 0.09 0.00 0.00 0.00 0.00 179.25 179.17 1y1u h THR 479 N -0.02 0.00 0.00 0.00 1.03 -0.52 0.20 112.91 113.61 1y1u h THR 479 Ca 0.03 0.00 -0.00 0.00 -0.01 0.00 0.00 66.41 66.43 1y1u h THR 479 Cb 0.20 0.70 -0.00 0.00 -1.07 0.00 0.00 68.15 67.98 1y1u h THR 479 CO -0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 175.52 175.51 1y1u h ALA 480 N 1.79 0.00 -0.03 0.00 0.00 -1.34 -2.37 119.26 117.31 1y1u h ALA 480 Ca 0.00 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.53 1y1u h ALA 480 Cb 0.19 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1y1u h ALA 480 CO 0.00 0.00 0.04 0.00 0.00 0.00 0.00 179.25 179.29 1y1u h THR 481 N -1.00 0.40 0.07 0.00 1.03 -0.93 0.18 112.91 112.66 1y1u h THR 481 Ca -0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 66.41 66.40 1y1u h THR 481 Cb 0.78 0.96 0.00 0.00 -1.07 0.00 0.00 68.15 68.82 1y1u h THR 481 CO -0.00 0.00 -0.04 0.58 -0.01 0.00 0.00 175.52 176.05 1y1u h VAL 482 N 0.00 1.14 -0.53 0.00 2.07 -1.30 -2.97 116.25 114.66 1y1u h VAL 482 Ca 0.01 -1.47 0.07 0.00 0.82 0.00 0.00 66.70 66.13 1y1u h VAL 482 Cb 0.10 1.99 -0.10 0.00 -1.52 0.00 0.00 31.29 31.77 1y1u h VAL 482 CO -0.00 0.33 -0.48 0.25 0.02 0.00 0.00 177.57 177.68 1y1u h LEU 483 N -0.85 -1.65 -1.42 2.57 7.12 -0.22 0.79 115.31 121.65 1y1u h LEU 483 Ca -0.01 0.25 0.02 0.00 0.13 0.00 0.00 57.88 58.27 1y1u h LEU 483 Cb 0.61 0.72 -0.03 0.00 -0.53 0.00 0.00 40.66 41.43 1y1u h LEU 483 CO 0.02 -0.36 0.41 -0.25 -0.13 0.00 0.00 178.44 178.13 1y1u h TRP 484 N -0.28 0.74 -0.16 1.25 7.01 -0.92 -0.67 115.95 122.92 1y1u h TRP 484 Ca 0.14 0.02 -0.05 0.00 2.11 0.00 0.00 58.89 61.11 1y1u h TRP 484 Cb 0.57 -0.25 -0.00 0.00 -2.10 0.00 0.00 29.16 27.37 1y1u h TRP 484 CO -0.73 0.45 -0.10 0.22 -2.79 0.00 0.00 178.44 175.50 1y1u h ASP 485 N 0.79 0.36 -0.55 2.65 1.82 -1.12 -2.37 116.42 118.00 1y1u h ASP 485 Ca 0.24 -0.43 -0.10 0.00 -0.39 0.00 0.00 57.03 56.34 1y1u h ASP 485 Cb -0.01 -0.10 -0.02 0.00 0.68 0.00 0.00 39.33 39.88 1y1u h ASP 485 CO -0.06 0.71 -0.06 0.78 -1.61 0.00 0.00 179.24 179.00 1y1u h ASN 486 N 0.01 1.01 0.48 2.28 -0.26 -0.17 -2.56 115.58 116.36 1y1u h ASN 486 Ca 0.03 -0.33 -0.02 0.00 -0.56 0.00 0.00 56.30 55.42 1y1u h ASN 486 Cb 0.59 -0.27 0.00 0.00 -1.06 0.00 0.00 38.32 37.58 1y1u h ASN 486 CO 0.03 1.10 -0.23 0.00 -1.06 0.00 0.00 177.43 177.27 1y1u h ALA 487 N 0.94 -0.64 -0.33 -0.83 0.00 -1.22 -3.38 119.26 113.80 1y1u h ALA 487 Ca 0.15 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1y1u h ALA 487 Cb 0.63 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1y1u h ALA 487 CO 0.04 -0.70 0.00 1.19 0.00 0.00 0.00 179.25 179.78 1y1u n PHE 488 N -5.25 0.41 -1.65 0.00 0.99 -0.89 -4.96 117.46 106.11 1y1u n PHE 488 Ca -0.10 -0.21 -0.49 0.00 -0.00 0.00 0.00 57.45 56.65 1y1u n PHE 488 Cb 0.31 0.00 -0.05 0.00 -1.00 0.00 0.00 39.48 38.74 1y1u n PHE 488 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1y1u n ALA 489 N 1.44 0.47 -1.77 4.37 0.00 -0.97 -4.54 120.51 119.51 1y1u n ALA 489 Ca 0.19 0.44 -0.37 0.00 0.00 0.00 0.00 53.44 53.69 1y1u n ALA 489 Cb 0.60 -2.28 -0.02 0.00 0.00 0.00 0.00 19.45 17.75 1y1u n ALA 489 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1y1u s GLU 490 N 1.46 3.96 0.20 0.00 2.56 -1.26 -4.99 118.70 120.63 1y1u s GLU 490 Ca 0.84 1.72 -0.31 0.00 0.00 0.00 0.00 54.97 57.23 1y1u s GLU 490 Cb -0.79 -2.53 -0.10 0.00 2.00 0.00 0.00 34.13 32.71 1y1u s GLU 490 CO 0.45 -0.37 1.44 -2.14 -0.56 0.00 0.00 175.26 174.08 1y1u s PRO 491 N -2.52 4.28 -1.75 4.30 0.02 -1.26 -2.29 135.00 135.78 1y1u s PRO 491 Ca 0.60 2.24 -0.00 0.00 0.02 0.00 0.00 61.00 63.86 1y1u s PRO 491 Cb -0.27 -3.15 0.00 0.00 0.02 0.00 0.00 34.50 31.09 1y1u s PRO 491 CO 0.34 -0.44 0.04 0.41 -0.33 0.00 0.00 177.00 177.02 1y1u n GLY 492 N 2.79 -0.49 3.73 0.52 0.00 -1.26 -4.98 105.19 105.51 1y1u n GLY 492 Ca 0.09 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1y1u n GLY 492 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1y1u s ARG 493 N -5.08 4.20 -0.19 1.61 1.04 -0.97 -4.91 118.95 114.66 1y1u s ARG 493 Ca 0.02 2.41 -0.35 0.00 -1.04 0.00 0.00 55.73 56.77 1y1u s ARG 493 Cb -0.01 -3.11 -0.12 0.00 -2.04 0.00 0.00 34.95 29.67 1y1u s ARG 493 CO 0.03 -0.58 1.95 1.55 -0.04 0.00 0.00 175.30 178.21 1y1u n VAL 494 N 3.29 0.43 0.00 4.99 3.14 -1.26 -4.52 118.33 124.40 1y1u n VAL 494 Ca 0.11 -0.16 0.00 0.00 -2.96 0.00 0.00 64.34 61.34 1y1u n VAL 494 Cb 0.38 -1.76 0.00 0.00 -1.06 0.00 0.00 33.84 31.40 1y1u n VAL 494 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 1y1u n PRO 495 N 6.95 0.00 -2.06 1.45 -0.02 -1.26 -2.74 135.00 137.32 1y1u n PRO 495 Ca 0.28 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.47 1y1u n PRO 495 Cb 0.26 0.00 0.02 0.00 -0.02 0.00 0.00 33.50 33.77 1y1u n PRO 495 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1y1u n PHE 496 N 0.00 3.09 -2.46 6.00 3.01 -1.26 -4.96 117.46 120.88 1y1u n PHE 496 Ca 0.00 -2.67 -0.42 0.00 1.01 0.00 0.00 57.45 55.37 1y1u n PHE 496 Cb 0.00 -0.54 -0.02 0.00 -0.01 0.00 0.00 39.48 38.90 1y1u n PHE 496 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1y1u s ALA 497 N -3.68 2.93 0.21 4.37 0.00 -1.11 -4.99 121.76 119.49 1y1u s ALA 497 Ca 0.52 -0.63 0.06 0.00 0.00 0.00 0.00 51.96 51.91 1y1u s ALA 497 Cb 0.43 -4.04 -0.04 0.00 0.00 0.00 0.00 23.12 19.47 1y1u s ALA 497 CO -0.12 -2.72 0.21 0.14 0.00 0.00 0.00 175.76 173.27 1y1u s VAL 498 N 5.50 4.65 1.32 0.00 -7.23 -1.26 -4.25 120.40 119.12 1y1u s VAL 498 Ca 0.50 -1.17 -0.18 0.00 -1.81 0.00 0.00 61.98 59.32 1y1u s VAL 498 Cb -0.10 -3.46 0.34 0.00 0.56 0.00 0.00 36.38 33.72 1y1u s VAL 498 CO 0.27 -0.24 0.93 -2.65 -0.31 0.00 0.00 175.10 173.09 1y1u n PRO 499 N -0.87 -3.58 -0.05 4.82 -0.02 -1.26 -5.01 135.00 129.03 1y1u n PRO 499 Ca -0.08 -1.04 -0.08 0.00 -2.02 0.00 0.00 63.50 60.28 1y1u n PRO 499 Cb 0.56 -2.04 -0.04 0.00 -0.02 0.00 0.00 33.50 31.95 1y1u n PRO 499 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1y1u n ASP 500 N -5.28 2.62 -4.72 2.55 2.03 -1.26 -4.95 116.55 107.54 1y1u n ASP 500 Ca 0.07 -0.01 -0.25 0.00 0.52 0.00 0.00 54.79 55.12 1y1u n ASP 500 Cb 0.57 -0.20 -0.07 0.00 -0.72 0.00 0.00 41.12 40.70 1y1u n ASP 500 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 1y1u s LYS 501 N -2.20 2.22 -0.19 -0.67 -2.85 -1.26 -1.14 119.74 113.64 1y1u s LYS 501 Ca -0.14 -1.81 -0.23 0.00 -1.00 0.00 0.00 55.97 52.79 1y1u s LYS 501 Cb 0.04 -1.99 0.06 0.00 -2.06 0.00 0.00 37.83 33.88 1y1u s LYS 501 CO 0.22 -0.06 0.62 0.08 0.10 0.00 0.00 175.35 176.30 1y1u s VAL 502 N -2.57 0.00 0.08 1.79 1.01 -0.64 -4.93 120.40 115.14 1y1u s VAL 502 Ca 0.40 -0.03 -0.31 0.00 0.00 0.00 0.00 61.98 62.05 1y1u s VAL 502 Cb 0.03 -0.88 -0.06 0.00 0.00 0.00 0.00 36.38 35.47 1y1u s VAL 502 CO 0.22 -0.01 1.22 -0.76 0.00 0.00 0.00 175.10 175.76 1y1u s LEU 503 N -0.01 4.38 0.18 3.92 1.02 -1.26 0.42 118.68 127.32 1y1u s LEU 503 Ca -0.03 2.07 -0.22 0.00 0.02 0.00 0.00 54.13 55.97 1y1u s LEU 503 Cb -0.04 -3.58 0.08 0.00 0.02 0.00 0.00 46.19 42.67 1y1u s LEU 503 CO 0.03 -0.48 1.40 1.87 0.02 0.00 0.00 176.35 179.19 1y1u n TRP 504 N 3.80 -0.19 0.33 0.29 -0.00 -1.14 -0.68 117.44 119.85 1y1u n TRP 504 Ca 0.09 1.13 0.19 0.00 -0.00 0.00 0.00 57.50 58.91 1y1u n TRP 504 Cb 0.46 -0.70 1.03 0.00 -0.00 0.00 0.00 31.31 32.09 1y1u n TRP 504 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 177.69 176.69 1y1u h PRO 505 N 0.00 0.00 0.07 5.87 0.13 -1.82 0.67 132.00 136.92 1y1u h PRO 505 Ca 0.23 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 65.13 1y1u h PRO 505 Cb 0.46 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.61 1y1u h PRO 505 CO -0.88 0.00 -0.95 -0.56 -0.23 0.00 0.00 178.00 175.39 1y1u h GLN 506 N 0.00 0.51 -0.92 0.86 3.07 -1.28 -2.86 115.11 114.49 1y1u h GLN 506 Ca 0.01 -0.65 0.14 0.00 0.09 0.00 0.00 58.65 58.24 1y1u h GLN 506 Cb 0.32 0.21 -0.07 0.00 0.08 0.00 0.00 27.48 28.01 1y1u h GLN 506 CO -0.00 1.27 0.59 1.25 0.09 0.00 0.00 178.83 182.02 1y1u h LEU 507 N 0.05 0.71 -0.75 0.06 6.46 -1.05 -2.18 115.31 118.62 1y1u h LEU 507 Ca -0.14 0.04 0.05 0.00 -0.12 0.00 0.00 57.88 57.71 1y1u h LEU 507 Cb 1.66 -0.10 -0.05 0.00 -0.73 0.00 0.00 40.66 41.44 1y1u h LEU 507 CO 0.18 0.36 0.46 0.00 -0.62 0.00 0.00 178.44 178.82 1y1u h GLU 509 N 0.87 0.00 0.54 0.00 4.11 -1.19 -0.38 114.58 118.53 1y1u h GLU 509 Ca 0.32 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.72 1y1u h GLU 509 Cb 0.10 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.36 1y1u h GLU 509 CO -0.15 0.17 -0.26 0.00 0.07 0.00 0.00 179.01 178.84 1y1u h ALA 510 N 1.83 -0.81 -0.68 1.06 0.00 -0.91 -2.54 119.26 117.21 1y1u h ALA 510 Ca -0.00 -0.16 0.10 0.00 0.00 0.00 0.00 54.91 54.85 1y1u h ALA 510 Cb 1.13 0.28 -0.12 0.00 0.00 0.00 0.00 17.79 19.09 1y1u h ALA 510 CO 0.02 -0.76 -0.42 -0.07 0.00 0.00 0.00 179.25 178.02 1y1u h LEU 511 N -1.06 -1.48 -0.37 0.00 3.38 -0.70 -1.70 115.31 113.37 1y1u h LEU 511 Ca -0.07 0.26 0.06 0.00 0.09 0.00 0.00 57.88 58.22 1y1u h LEU 511 Cb 0.56 0.70 -0.06 0.00 0.09 0.00 0.00 40.66 41.95 1y1u h LEU 511 CO 0.12 -0.31 0.03 -1.13 0.09 0.00 0.00 178.44 177.23 1y1u h ASN 512 N -0.16 -0.09 0.35 -0.43 -0.00 -1.16 0.27 115.58 114.35 1y1u h ASN 512 Ca 0.22 0.08 -0.01 0.00 -0.00 0.00 0.00 56.30 56.59 1y1u h ASN 512 Cb 0.56 0.13 -0.01 0.00 -0.00 0.00 0.00 38.32 38.99 1y1u h ASN 512 CO -0.76 -0.01 -0.26 -0.03 -0.00 0.00 0.00 177.43 176.37 1y1u h MET 513 N 0.13 -0.58 -0.91 6.67 4.05 -0.94 -0.32 114.93 123.04 1y1u h MET 513 Ca 0.18 0.04 0.01 0.00 -0.28 0.00 0.00 59.70 59.65 1y1u h MET 513 Cb 0.24 0.13 -0.04 0.00 -0.80 0.00 0.00 31.60 31.13 1y1u h MET 513 CO -0.28 -0.39 0.59 -0.22 0.23 0.00 0.00 176.91 176.84 1y1u h LYS 514 N -0.60 1.21 0.52 0.39 1.63 -0.89 -2.12 116.57 116.69 1y1u h LYS 514 Ca -0.03 -0.08 -0.02 0.00 -0.85 0.00 0.00 60.65 59.67 1y1u h LYS 514 Cb 0.52 -0.27 -0.01 0.00 -0.60 0.00 0.00 32.23 31.87 1y1u h LYS 514 CO 0.00 0.81 -0.42 0.35 -3.45 0.00 0.00 179.45 176.74 1y1u h PHE 515 N 1.24 -1.16 -0.39 1.91 3.57 0.12 -1.24 116.94 120.99 1y1u h PHE 515 Ca 0.33 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.89 1y1u h PHE 515 Cb -0.12 0.44 -0.05 0.00 2.79 0.00 0.00 35.95 39.01 1y1u h PHE 515 CO 0.00 -0.59 0.11 0.87 -2.23 0.00 0.00 178.31 176.48 1y1u h LYS 516 N -0.91 0.25 -0.86 1.11 1.57 -1.02 0.08 116.57 116.78 1y1u h LYS 516 Ca -0.07 -0.01 0.13 0.00 -1.87 0.00 0.00 60.65 58.83 1y1u h LYS 516 Cb 0.77 -0.06 -0.09 0.00 0.08 0.00 0.00 32.23 32.93 1y1u h LYS 516 CO -0.00 0.16 0.47 0.00 -0.57 0.00 0.00 179.45 179.51 1y1u h ALA 517 N 1.27 1.28 0.04 3.86 0.00 -1.34 0.48 119.26 124.85 1y1u h ALA 517 Ca 0.18 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 55.05 1y1u h ALA 517 Cb 0.19 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.92 1y1u h ALA 517 CO -0.21 -0.00 -0.44 1.49 0.00 0.00 0.00 179.25 180.09 1y1u h GLU 518 N 0.71 0.23 -0.00 0.00 4.57 -0.29 -3.24 114.58 116.56 1y1u h GLU 518 Ca 0.45 -0.30 0.00 0.00 -1.18 0.00 0.00 59.36 58.33 1y1u h GLU 518 Cb 0.56 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.25 1y1u h GLU 518 CO -0.32 1.06 -0.18 1.33 -1.18 0.00 0.00 179.01 179.72 1y1u n VAL 519 N -4.36 0.00 -3.66 0.32 0.24 -0.07 -4.68 118.33 106.12 1y1u n VAL 519 Ca -0.11 -0.06 -0.25 0.00 -2.04 0.00 0.00 64.34 61.87 1y1u n VAL 519 Cb 0.62 0.03 0.04 0.00 -1.47 0.00 0.00 33.84 33.06 1y1u n VAL 519 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1y1u n GLN 520 N -0.99 -2.70 -3.98 7.34 6.02 0.16 -4.81 117.38 118.42 1y1u n GLN 520 Ca 0.12 0.56 -0.09 0.00 -0.01 0.00 0.00 57.00 57.58 1y1u n GLN 520 Cb 0.31 -4.73 -0.10 0.00 1.02 0.00 0.00 30.24 26.74 1y1u n GLN 520 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1y1u s SER 521 N -3.83 0.27 -0.33 1.08 0.15 -0.95 -4.99 113.70 105.10 1y1u s SER 521 Ca 0.28 -0.64 0.03 0.00 0.70 0.00 0.00 55.95 56.32 1y1u s SER 521 Cb -0.08 0.19 0.51 0.00 -1.71 0.00 0.00 66.02 64.93 1y1u s SER 521 CO 0.83 -0.49 1.67 -0.46 1.20 0.00 0.00 173.24 176.00 1y1u n ASN 522 N 0.77 3.62 -4.49 5.45 0.23 -1.26 -4.55 115.26 115.03 1y1u n ASN 522 Ca -0.19 -3.18 -0.43 0.00 -0.53 0.00 0.00 54.58 50.26 1y1u n ASN 522 Cb 0.58 -0.75 -0.03 0.00 -2.08 0.00 0.00 39.78 37.50 1y1u n ASN 522 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 1y1u s ARG 523 N -2.46 3.38 0.63 -3.83 3.00 -1.26 -5.01 118.95 113.41 1y1u s ARG 523 Ca 0.43 -1.13 -0.06 0.00 0.00 0.00 0.00 55.73 54.97 1y1u s ARG 523 Cb 0.36 -4.69 0.14 0.00 0.00 0.00 0.00 34.95 30.75 1y1u s ARG 523 CO 0.08 -1.93 0.87 0.41 0.00 0.00 0.00 175.30 174.73 1y1u n GLY 524 N 5.72 -0.36 3.55 -3.53 0.00 -1.26 -4.78 105.19 104.53 1y1u n GLY 524 Ca 0.14 -1.86 -0.38 0.00 0.00 0.00 0.00 46.02 43.92 1y1u n GLY 524 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1y1u s LEU 525 N 0.00 3.25 1.12 0.99 1.02 -1.26 -4.99 118.68 118.81 1y1u s LEU 525 Ca 0.53 -0.03 -0.12 0.00 0.02 0.00 0.00 54.13 54.53 1y1u s LEU 525 Cb -0.02 -2.54 0.26 0.00 0.02 0.00 0.00 46.19 43.91 1y1u s LEU 525 CO 0.36 -2.25 1.05 0.42 0.02 0.00 0.00 176.35 175.94 1y1u s THR 526 N 8.21 2.05 0.19 5.49 -4.23 -1.26 -4.46 115.64 121.63 1y1u s THR 526 Ca 0.59 0.02 -0.24 0.00 -1.18 0.00 0.00 61.69 60.88 1y1u s THR 526 Cb -0.10 -2.14 0.08 0.00 1.34 0.00 0.00 72.50 71.68 1y1u s THR 526 CO 0.16 -0.02 1.56 0.11 -0.54 0.00 0.00 174.62 175.89 1y1u h LYS 527 N -2.46 -0.11 0.03 3.99 6.56 -2.00 -0.37 116.57 122.20 1y1u h LYS 527 Ca -0.59 0.01 0.02 0.00 -1.06 0.00 0.00 60.65 59.03 1y1u h LYS 527 Cb 1.33 0.03 -0.03 0.00 -0.57 0.00 0.00 32.23 32.98 1y1u h LYS 527 CO 0.51 -0.08 -0.18 0.93 -2.06 0.00 0.00 179.45 178.57 1y1u h GLU 528 N -0.12 -0.31 -0.28 3.15 5.08 -1.99 -3.06 114.58 117.05 1y1u h GLU 528 Ca 0.23 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.65 1y1u h GLU 528 Cb 0.55 0.07 -0.08 0.00 0.50 0.00 0.00 28.75 29.79 1y1u h GLU 528 CO -0.82 -0.20 -0.53 -0.91 -1.00 0.00 0.00 179.01 175.55 1y1u h ASN 529 N -0.32 -1.73 -1.01 1.42 -0.26 -1.44 0.16 115.58 112.41 1y1u h ASN 529 Ca 0.05 0.22 0.39 0.00 -0.56 0.00 0.00 56.30 56.40 1y1u h ASN 529 Cb 0.37 0.70 -0.17 0.00 -1.06 0.00 0.00 38.32 38.16 1y1u h ASN 529 CO -0.15 -0.44 0.56 -0.07 -1.06 0.00 0.00 177.43 176.27 1y1u h LEU 530 N -0.47 0.38 0.34 1.61 3.38 -1.10 0.40 115.31 119.85 1y1u h LEU 530 Ca 0.07 0.23 -0.02 0.00 0.09 0.00 0.00 57.88 58.25 1y1u h LEU 530 Cb 0.63 0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1y1u h LEU 530 CO -0.52 -0.33 -0.16 0.58 0.09 0.00 0.00 178.44 178.09 1y1u h VAL 531 N 0.11 0.55 -0.98 1.22 2.07 -0.64 0.18 116.25 118.75 1y1u h VAL 531 Ca 0.81 -0.67 0.30 0.00 0.82 0.00 0.00 66.70 67.96 1y1u h VAL 531 Cb 2.07 0.83 -0.18 0.00 -1.52 0.00 0.00 31.29 32.49 1y1u h VAL 531 CO -0.71 0.11 0.17 0.15 0.02 0.00 0.00 177.57 177.31 1y1u h PHE 532 N -0.89 0.19 0.17 1.57 3.57 0.48 0.62 116.94 122.64 1y1u h PHE 532 Ca -0.05 0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 1y1u h PHE 532 Cb 0.53 0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.35 1y1u h PHE 532 CO 0.03 -0.42 -0.08 -0.07 -2.23 0.00 0.00 178.31 175.54 1y1u h LEU 533 N 0.03 -0.19 -0.89 0.59 3.38 -1.33 -0.02 115.31 116.88 1y1u h LEU 533 Ca 0.65 0.01 0.26 0.00 0.09 0.00 0.00 57.88 58.89 1y1u h LEU 533 Cb 1.46 0.05 -0.17 0.00 0.09 0.00 0.00 40.66 42.09 1y1u h LEU 533 CO -0.86 -0.13 0.08 0.00 0.09 0.00 0.00 178.44 177.61 1y1u n ALA 534 N -2.12 0.51 0.29 1.53 0.00 0.10 0.15 120.51 120.97 1y1u n ALA 534 Ca -0.03 0.95 -0.16 0.00 0.00 0.00 0.00 53.44 54.20 1y1u n ALA 534 Cb 0.09 -0.72 -0.08 0.00 0.00 0.00 0.00 19.45 18.73 1y1u n ALA 534 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1y1u h GLN 535 N 0.00 -0.70 0.08 0.00 4.20 0.09 0.75 115.11 119.53 1y1u h GLN 535 Ca 0.57 0.05 0.02 0.00 0.06 0.00 0.00 58.65 59.35 1y1u h GLN 535 Cb 1.22 0.16 -0.04 0.00 0.30 0.00 0.00 27.48 29.12 1y1u h GLN 535 CO -0.82 -0.46 -0.33 -0.22 -0.67 0.00 0.00 178.83 176.33 1y1u h LYS 536 N -0.72 -0.51 -0.39 1.46 3.64 0.34 0.22 116.57 120.61 1y1u h LYS 536 Ca -0.06 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1y1u h LYS 536 Cb 0.58 0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.49 1y1u h LYS 536 CO 0.08 -0.34 0.22 1.25 -2.27 0.00 0.00 179.45 178.40 1y1u h LEU 537 N -0.53 0.48 0.00 5.20 7.12 -0.28 -2.96 115.31 124.35 1y1u h LEU 537 Ca 0.04 -0.07 0.00 0.00 0.13 0.00 0.00 57.88 57.98 1y1u h LEU 537 Cb 0.58 -0.12 0.00 0.00 -0.53 0.00 0.00 40.66 40.58 1y1u h LEU 537 CO -0.22 0.41 -0.56 -0.26 -0.13 0.00 0.00 178.44 177.68 1y1u h PHE 538 N 0.51 0.00 -6.22 1.25 -1.00 -0.78 -3.48 116.94 107.22 1y1u h PHE 538 Ca 0.14 0.00 -0.43 0.00 2.81 0.00 0.00 57.97 60.48 1y1u h PHE 538 Cb 0.03 0.00 0.06 0.00 3.61 0.00 0.00 35.95 39.66 1y1u h PHE 538 CO -0.03 0.00 -0.91 -1.71 -1.61 0.00 0.00 178.31 174.05 1y1u n ASN 539 N -2.31 -4.03 -4.03 2.17 5.15 0.77 -5.02 115.26 107.96 1y1u n ASN 539 Ca 0.03 -0.98 -0.08 0.00 -0.60 0.00 0.00 54.58 52.95 1y1u n ASN 539 Cb 0.47 -3.48 -0.09 0.00 -0.53 0.00 0.00 39.78 36.14 1y1u n ASN 539 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 1y1u s ILE 540 N -3.57 0.16 0.08 -1.44 1.10 -1.20 -5.08 121.20 111.25 1y1u s ILE 540 Ca 0.34 -1.64 -0.04 0.00 -0.51 0.00 0.00 60.65 58.81 1y1u s ILE 540 Cb -0.12 -1.62 -0.28 0.00 0.15 0.00 0.00 42.46 40.60 1y1u s ILE 540 CO 0.86 -0.73 1.14 0.28 -2.11 0.00 0.00 174.94 174.37 1y1u h SER 541 N 2.93 0.40 -0.33 4.50 0.02 -1.95 -3.41 113.55 115.71 1y1u h SER 541 Ca -0.34 -0.43 -0.29 0.00 -0.84 0.00 0.00 61.79 59.89 1y1u h SER 541 Cb 1.18 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.59 1y1u h SER 541 CO 0.60 1.33 0.21 -1.20 -1.14 0.00 0.00 176.83 176.64 1y1u n SER 542 N -3.52 0.37 -0.64 3.07 7.64 -1.26 -4.83 113.62 114.46 1y1u n SER 542 Ca -0.08 0.39 0.09 0.00 1.01 0.00 0.00 58.87 60.28 1y1u n SER 542 Cb 1.02 -0.29 0.06 0.00 -1.01 0.00 0.00 64.21 63.99 1y1u n SER 542 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1y1u n ASN 543 N 1.27 2.30 -3.92 6.43 2.04 -1.26 -4.79 115.26 117.33 1y1u n ASN 543 Ca 0.10 -1.65 -0.11 0.00 -0.44 0.00 0.00 54.58 52.48 1y1u n ASN 543 Cb -0.02 0.09 -0.13 0.00 -2.53 0.00 0.00 39.78 37.19 1y1u n ASN 543 CO 0.00 0.00 0.00 -1.38 -0.44 0.00 0.00 177.26 175.44 1y1u s HIS 544 N -1.54 0.12 0.11 -2.53 -3.43 -1.26 -5.04 115.29 101.72 1y1u s HIS 544 Ca 0.19 -0.25 -0.25 0.00 -0.80 0.00 0.00 55.06 53.95 1y1u s HIS 544 Cb 0.14 -0.09 -0.08 0.00 -1.43 0.00 0.00 32.58 31.12 1y1u s HIS 544 CO 0.25 -0.09 1.66 1.25 -2.00 0.00 0.00 174.74 175.81 1y1u h LEU 545 N 5.44 -0.56 -0.76 5.38 6.46 -1.92 -2.90 115.31 126.45 1y1u h LEU 545 Ca -0.28 0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.55 1y1u h LEU 545 Cb 1.21 0.22 0.00 0.00 -0.73 0.00 0.00 40.66 41.36 1y1u h LEU 545 CO 0.46 -0.27 0.34 -1.84 -0.62 0.00 0.00 178.44 176.52 1y1u n GLU 546 N -5.32 0.08 -0.22 1.25 0.00 -1.26 0.41 120.64 115.58 1y1u n GLU 546 Ca -0.06 0.55 -0.01 0.00 0.00 0.00 0.00 57.16 57.64 1y1u n GLU 546 Cb 0.24 -2.10 0.10 0.00 0.00 0.00 0.00 31.44 29.67 1y1u n GLU 546 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 1y1u h ASP 547 N 0.00 0.43 1.46 -1.84 3.32 -1.94 -3.13 116.42 114.71 1y1u h ASP 547 Ca 0.00 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1y1u h ASP 547 Cb 0.69 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.21 1y1u h ASP 547 CO 0.00 0.27 -0.00 -1.22 -1.72 0.00 0.00 179.24 176.57 1y1u n TYR 548 N -4.86 0.90 -0.42 4.55 4.02 0.16 -4.15 117.16 117.36 1y1u n TYR 548 Ca 0.08 0.26 0.35 0.00 -0.01 0.00 0.00 57.90 58.59 1y1u n TYR 548 Cb 0.21 -0.93 0.59 0.00 -0.02 0.00 0.00 39.34 39.20 1y1u n TYR 548 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1y1u n ASN 549 N -2.23 0.17 -0.50 7.72 4.13 -1.18 0.87 115.26 124.23 1y1u n ASN 549 Ca 0.06 1.18 0.09 0.00 1.68 0.00 0.00 54.58 57.60 1y1u n ASN 549 Cb 0.43 -0.58 0.01 0.00 -1.54 0.00 0.00 39.78 38.10 1y1u n ASN 549 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1y1u n SER 550 N -4.40 1.99 -4.24 6.41 7.64 -1.26 -4.59 113.62 115.18 1y1u n SER 550 Ca 0.35 -1.50 -0.29 0.00 1.01 0.00 0.00 58.87 58.44 1y1u n SER 550 Cb 1.38 0.37 0.22 0.00 -1.01 0.00 0.00 64.21 65.18 1y1u n SER 550 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1y1u s MET 551 N -2.06 -0.69 -0.11 1.43 -1.94 0.25 -4.93 119.30 111.26 1y1u s MET 551 Ca 0.17 0.30 -0.07 0.00 -1.71 0.00 0.00 55.69 54.38 1y1u s MET 551 Cb 0.16 -1.63 0.04 0.00 2.01 0.00 0.00 34.83 35.41 1y1u s MET 551 CO 0.43 -3.43 0.27 -1.54 -0.01 0.00 0.00 175.02 170.74 1y1u s SER 552 N -3.47 -0.30 -0.21 3.03 1.04 -1.26 -2.87 113.70 109.67 1y1u s SER 552 Ca 0.68 0.57 -0.04 0.00 0.48 0.00 0.00 55.95 57.64 1y1u s SER 552 Cb -0.16 0.49 -0.01 0.00 0.10 0.00 0.00 66.02 66.44 1y1u s SER 552 CO 0.58 -0.14 -0.03 -0.69 0.98 0.00 0.00 173.24 173.94 1y1u s VAL 553 N 0.90 3.58 0.69 5.02 1.01 0.17 -4.86 120.40 126.91 1y1u s VAL 553 Ca -0.06 -0.43 -0.11 0.00 0.00 0.00 0.00 61.98 61.38 1y1u s VAL 553 Cb -0.07 -2.62 0.00 0.00 0.00 0.00 0.00 36.38 33.69 1y1u s VAL 553 CO -0.06 0.43 1.06 -0.55 0.00 0.00 0.00 175.10 175.98 1y1u s SER 554 N 1.26 5.40 0.21 3.32 0.15 -1.26 -1.62 113.70 121.16 1y1u s SER 554 Ca 0.03 1.64 -0.10 0.00 0.70 0.00 0.00 55.95 58.22 1y1u s SER 554 Cb -0.14 -2.50 0.27 0.00 -1.71 0.00 0.00 66.02 61.94 1y1u s SER 554 CO -0.01 -1.43 1.73 -0.25 1.20 0.00 0.00 173.24 174.49 1y1u h TRP 555 N -0.63 0.33 0.00 3.44 2.91 -1.50 -1.14 115.95 119.36 1y1u h TRP 555 Ca -0.44 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 59.60 1y1u h TRP 555 Cb 1.21 -0.06 -0.00 0.00 -0.51 0.00 0.00 29.16 29.80 1y1u h TRP 555 CO 0.62 0.06 -0.04 0.66 -1.03 0.00 0.00 178.44 178.71 1y1u h SER 556 N 0.36 0.00 0.19 2.65 4.64 -1.92 0.19 113.55 119.66 1y1u h SER 556 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 1y1u h SER 556 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1y1u h SER 556 CO -0.33 0.04 -0.27 0.00 -0.87 0.00 0.00 176.83 175.40 1y1u n GLN 557 N -3.22 0.94 -0.10 4.77 6.02 -0.55 0.19 117.38 125.42 1y1u n GLN 557 Ca -0.01 -0.59 -0.19 0.00 -0.01 0.00 0.00 57.00 56.20 1y1u n GLN 557 Cb 0.24 -1.49 -0.12 0.00 1.02 0.00 0.00 30.24 29.89 1y1u n GLN 557 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1y1u n PHE 558 N -0.52 0.28 -1.94 1.08 7.35 0.43 -4.70 117.46 119.44 1y1u n PHE 558 Ca 0.12 0.06 0.00 0.00 -0.76 0.00 0.00 57.45 56.87 1y1u n PHE 558 Cb 0.37 -1.04 0.00 0.00 0.35 0.00 0.00 39.48 39.16 1y1u n PHE 558 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1y1u n ASN 559 N -3.37 0.00 0.00 -2.13 4.05 0.09 -1.39 115.26 112.51 1y1u n ASN 559 Ca -0.43 -1.21 0.00 0.00 0.45 0.00 0.00 54.58 53.39 1y1u n ASN 559 Cb 0.99 -0.04 0.00 0.00 1.23 0.00 0.00 39.78 41.96 1y1u n ASN 559 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 177.26 173.07 1y1u n ARG 560 N 0.00 0.00 -1.75 1.20 0.63 -0.83 -4.96 116.66 110.96 1y1u n ARG 560 Ca 0.00 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.51 1y1u n ARG 560 Cb 0.54 -0.30 -0.03 0.00 0.45 0.00 0.00 32.46 33.12 1y1u n ARG 560 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 1y1u s GLU 561 N -0.88 4.14 0.34 -0.14 8.01 0.50 -4.89 118.70 125.78 1y1u s GLU 561 Ca 0.00 2.57 -0.27 0.00 0.01 0.00 0.00 54.97 57.29 1y1u s GLU 561 Cb 0.00 -3.30 -0.09 0.00 -4.31 0.00 0.00 34.13 26.43 1y1u s GLU 561 CO 0.00 -0.78 1.08 -0.80 0.01 0.00 0.00 175.26 174.78 1y1u s ASN 562 N 1.82 7.00 0.31 -0.19 0.01 -1.26 -4.29 114.94 118.33 1y1u s ASN 562 Ca 0.77 2.18 -0.29 0.00 -0.71 0.00 0.00 52.86 54.80 1y1u s ASN 562 Cb -0.47 -2.61 -0.11 0.00 0.41 0.00 0.00 41.25 38.47 1y1u s ASN 562 CO 0.34 -0.33 1.47 -0.76 -1.51 0.00 0.00 177.10 176.31 1y1u s LEU 563 N -2.02 4.37 0.07 0.60 1.43 0.56 -4.86 118.68 118.83 1y1u s LEU 563 Ca 0.51 2.84 -0.04 0.00 -1.03 0.00 0.00 54.13 56.40 1y1u s LEU 563 Cb -0.28 -3.64 0.08 0.00 0.03 0.00 0.00 46.19 42.38 1y1u s LEU 563 CO 0.35 -0.77 0.44 -2.65 0.23 0.00 0.00 176.35 173.95 1y1u n PRO 564 N 1.58 -0.06 0.21 1.29 -0.02 -1.26 0.44 135.00 137.18 1y1u n PRO 564 Ca 0.05 0.44 0.09 0.00 -2.02 0.00 0.00 63.50 62.06 1y1u n PRO 564 Cb 0.39 -0.66 0.40 0.00 -0.02 0.00 0.00 33.50 33.62 1y1u n PRO 564 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1y1u h GLY 565 N 0.00 0.00 -1.96 -1.23 0.00 -1.97 -3.48 103.07 94.43 1y1u h GLY 565 Ca 0.11 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.94 1y1u h GLY 565 CO -0.29 0.00 -0.60 -0.98 0.00 0.00 0.00 176.54 174.67 1y1u s TRP 566 N -3.56 2.02 -0.50 5.60 0.52 0.17 -5.04 118.94 118.15 1y1u s TRP 566 Ca 0.01 -0.94 0.02 0.00 0.02 0.00 0.00 56.10 55.22 1y1u s TRP 566 Cb 0.10 -1.34 0.50 0.00 -1.15 0.00 0.00 33.47 31.58 1y1u s TRP 566 CO 0.65 0.05 1.75 0.09 0.02 0.00 0.00 176.95 179.51 1y1u n ASN 567 N -0.74 5.68 -4.23 2.95 3.02 -1.26 -4.32 115.26 116.36 1y1u n ASN 567 Ca -0.03 -3.75 -0.13 0.00 -0.03 0.00 0.00 54.58 50.64 1y1u n ASN 567 Cb 0.67 -0.77 -0.10 0.00 -0.61 0.00 0.00 39.78 38.97 1y1u n ASN 567 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 1y1u s TYR 568 N -3.61 1.18 0.81 3.10 1.13 -1.26 -5.03 117.35 113.68 1y1u s TYR 568 Ca 0.58 -0.92 -0.07 0.00 -1.41 0.00 0.00 57.07 55.25 1y1u s TYR 568 Cb 0.47 -0.66 0.15 0.00 -1.10 0.00 0.00 41.96 40.82 1y1u s TYR 568 CO 0.02 -0.11 1.12 0.95 -2.51 0.00 0.00 175.55 175.03 1y1u s THR 569 N -3.54 2.08 0.06 -3.49 -4.23 -1.26 -0.32 115.64 104.93 1y1u s THR 569 Ca 0.20 -0.36 -0.24 0.00 -1.18 0.00 0.00 61.69 60.10 1y1u s THR 569 Cb 0.05 -2.72 -0.17 0.00 1.34 0.00 0.00 72.50 71.00 1y1u s THR 569 CO 0.01 0.00 1.58 0.15 -0.54 0.00 0.00 174.62 175.83 1y1u h PHE 570 N -0.96 -0.05 -0.68 3.99 3.04 -1.74 -3.01 116.94 117.54 1y1u h PHE 570 Ca -0.39 -0.00 0.02 0.00 3.98 0.00 0.00 57.97 61.57 1y1u h PHE 570 Cb 1.26 0.02 -0.04 0.00 2.56 0.00 0.00 35.95 39.75 1y1u h PHE 570 CO -0.55 0.11 0.44 2.35 -2.02 0.00 0.00 178.31 178.64 1y1u h TRP 571 N -0.20 0.84 -0.73 0.41 2.91 -1.59 -1.78 115.95 115.80 1y1u h TRP 571 Ca -0.01 0.02 0.13 0.00 1.13 0.00 0.00 58.89 60.17 1y1u h TRP 571 Cb 0.18 -0.28 -0.13 0.00 -0.51 0.00 0.00 29.16 28.42 1y1u h TRP 571 CO -0.03 0.51 -0.31 1.96 -1.03 0.00 0.00 178.44 179.55 1y1u h GLN 572 N 0.89 -0.08 0.39 2.65 7.50 -1.84 0.61 115.11 125.24 1y1u h GLN 572 Ca 0.26 0.01 -0.01 0.00 0.50 0.00 0.00 58.65 59.40 1y1u h GLN 572 Cb -0.06 0.02 -0.01 0.00 0.05 0.00 0.00 27.48 27.48 1y1u h GLN 572 CO -0.07 -0.05 -0.32 2.35 -1.50 0.00 0.00 178.83 179.24 1y1u h TRP 573 N -0.08 -0.87 -0.52 2.96 7.01 -1.21 -0.75 115.95 122.48 1y1u h TRP 573 Ca 0.30 0.00 0.09 0.00 2.11 0.00 0.00 58.89 61.39 1y1u h TRP 573 Cb 0.57 0.33 -0.03 0.00 -2.10 0.00 0.00 29.16 27.93 1y1u h TRP 573 CO -0.68 -0.44 0.35 0.35 -2.79 0.00 0.00 178.44 175.23 1y1u h PHE 574 N -0.69 0.36 0.60 2.65 3.04 -0.72 0.51 116.94 122.68 1y1u h PHE 574 Ca -0.05 0.01 -0.03 0.00 3.98 0.00 0.00 57.97 61.88 1y1u h PHE 574 Cb 0.58 -0.12 0.01 0.00 2.56 0.00 0.00 35.95 38.98 1y1u h PHE 574 CO -0.12 0.18 -0.29 0.22 -2.02 0.00 0.00 178.31 176.28 1y1u h ASP 575 N 0.35 -0.68 -0.46 0.41 1.82 0.33 -2.84 116.42 115.35 1y1u h ASP 575 Ca 0.24 -0.03 0.13 0.00 -0.39 0.00 0.00 57.03 56.98 1y1u h ASP 575 Cb 0.49 0.18 -0.02 0.00 0.68 0.00 0.00 39.33 40.65 1y1u h ASP 575 CO -0.06 -0.34 0.44 1.23 -1.61 0.00 0.00 179.24 178.90 1y1u h GLY 576 N -1.04 0.00 0.44 -0.78 0.00 0.61 0.32 103.07 102.63 1y1u h GLY 576 Ca -0.08 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.23 1y1u h GLY 576 CO 0.13 0.00 -0.21 -2.08 0.00 0.00 0.00 176.54 174.38 1y1u h VAL 577 N 0.00 0.00 -0.91 4.60 2.07 -1.21 -1.97 116.25 118.83 1y1u h VAL 577 Ca 0.22 -0.16 0.17 0.00 0.82 0.00 0.00 66.70 67.75 1y1u h VAL 577 Cb 1.09 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.76 1y1u h VAL 577 CO -0.00 0.00 0.49 0.24 0.02 0.00 0.00 177.57 178.32 1y1u h MET 578 N -0.75 0.63 0.51 1.57 2.07 -1.03 0.69 114.93 118.62 1y1u h MET 578 Ca -0.06 -0.04 -0.02 0.00 -2.07 0.00 0.00 59.70 57.51 1y1u h MET 578 Cb 0.46 -0.14 0.00 0.00 -1.87 0.00 0.00 31.60 30.05 1y1u h MET 578 CO 0.10 0.42 -0.24 1.49 1.07 0.00 0.00 176.91 179.75 1y1u h GLU 579 N 0.65 -0.65 -0.65 1.72 4.57 -0.43 -0.70 114.58 119.09 1y1u h GLU 579 Ca 0.51 0.04 0.07 0.00 -1.18 0.00 0.00 59.36 58.81 1y1u h GLU 579 Cb 0.78 0.15 -0.04 0.00 -0.16 0.00 0.00 28.75 29.48 1y1u h GLU 579 CO -0.39 -0.44 0.43 -0.39 -1.18 0.00 0.00 179.01 177.05 1y1u h VAL 580 N -0.68 0.98 0.96 0.32 -1.51 -1.12 -0.09 116.25 115.11 1y1u h VAL 580 Ca -0.07 -0.21 -0.05 0.00 -1.23 0.00 0.00 66.70 65.14 1y1u h VAL 580 Cb 0.52 0.31 0.01 0.00 -2.13 0.00 0.00 31.29 30.00 1y1u h VAL 580 CO 0.11 0.11 -0.46 -0.07 -1.23 0.00 0.00 177.57 176.03 1y1u h LEU 581 N 0.62 -1.09 -0.04 4.19 3.38 -0.78 -1.61 115.31 119.97 1y1u h LEU 581 Ca 0.29 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.29 1y1u h LEU 581 Cb 0.33 0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1y1u h LEU 581 CO -0.09 -0.77 0.00 2.29 0.09 0.00 0.00 178.44 179.96 1y1u n LYS 582 N -5.64 0.01 0.06 1.13 -0.00 -0.28 -0.34 118.16 113.11 1y1u n LYS 582 Ca -0.16 0.26 -0.23 0.00 -0.00 0.00 0.00 58.31 58.18 1y1u n LYS 582 Cb 0.51 -1.52 -0.15 0.00 -0.00 0.00 0.00 35.03 33.87 1y1u n LYS 582 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 1y1u h LYS 583 N 0.00 0.36 0.00 -1.58 3.64 -0.71 -3.45 116.57 114.84 1y1u h LYS 583 Ca 0.00 -0.62 0.00 0.00 -1.27 0.00 0.00 60.65 58.76 1y1u h LYS 583 Cb 0.25 0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1y1u h LYS 583 CO 0.00 1.30 -0.40 0.72 -2.27 0.00 0.00 179.45 178.80 1y1u n HIS 584 N -3.74 0.00 -1.17 1.91 8.25 -0.63 -4.93 115.22 114.91 1y1u n HIS 584 Ca -0.23 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.30 1y1u n HIS 584 Cb 1.01 0.00 0.19 0.00 1.12 0.00 0.00 29.99 32.31 1y1u n HIS 584 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1y1u n HIS 585 N -0.98 0.35 -0.03 4.41 8.25 0.54 -4.78 115.22 122.99 1y1u n HIS 585 Ca 0.00 -1.10 -0.08 0.00 -0.26 0.00 0.00 57.72 56.27 1y1u n HIS 585 Cb 0.15 -0.24 -0.02 0.00 1.12 0.00 0.00 29.99 31.00 1y1u n HIS 585 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 1y1u h LYS 586 N 0.70 -0.17 -0.01 -0.41 1.57 -1.66 -1.38 116.57 115.21 1y1u h LYS 586 Ca 0.02 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1y1u h LYS 586 Cb 1.18 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.52 1y1u h LYS 586 CO 0.10 -0.11 -0.04 -1.35 -0.57 0.00 0.00 179.45 177.48 1y1u h PRO 587 N -0.18 -0.06 -0.10 3.15 0.11 -1.90 -2.44 132.00 130.59 1y1u h PRO 587 Ca 0.12 0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.26 1y1u h PRO 587 Cb 0.35 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.47 1y1u h PRO 587 CO -0.29 -0.04 0.38 0.45 -0.21 0.00 0.00 178.00 178.29 1y1u h HIS 588 N -0.06 0.00 0.21 0.65 3.86 -1.63 -0.89 115.15 117.29 1y1u h HIS 588 Ca 0.02 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 1y1u h HIS 588 Cb 0.08 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.55 1y1u h HIS 588 CO -0.11 0.00 -0.10 2.35 0.86 0.00 0.00 177.93 180.92 1y1u h TRP 589 N 0.00 -0.27 0.00 2.45 7.01 -0.86 -0.55 115.95 123.74 1y1u h TRP 589 Ca 0.05 -0.01 -0.08 0.00 2.11 0.00 0.00 58.89 60.97 1y1u h TRP 589 Cb 0.81 0.09 -0.01 0.00 -2.10 0.00 0.00 29.16 27.94 1y1u h TRP 589 CO 0.00 -0.17 -0.37 -2.95 -2.79 0.00 0.00 178.44 172.16 1y1u h ASN 590 N -0.72 0.00 -0.98 2.65 -1.07 -1.63 0.93 115.58 114.77 1y1u h ASN 590 Ca -0.03 0.00 0.27 0.00 0.07 0.00 0.00 56.30 56.61 1y1u h ASN 590 Cb 0.22 0.00 -0.14 0.00 -2.07 0.00 0.00 38.32 36.33 1y1u h ASN 590 CO 0.05 0.37 0.52 -0.78 0.07 0.00 0.00 177.43 177.66 1y1u h ASP 591 N 0.00 0.50 0.00 6.14 3.58 -1.27 -3.46 116.42 121.90 1y1u h ASP 591 Ca -0.00 0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.61 1y1u h ASP 591 Cb 0.72 0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.88 1y1u h ASP 591 CO 0.05 -0.03 0.00 0.61 -2.88 0.00 0.00 179.24 176.99 1y1u n GLY 592 N -1.31 0.51 0.29 -0.78 0.00 0.32 -5.00 105.19 99.22 1y1u n GLY 592 Ca 0.28 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.43 1y1u n GLY 592 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y1u h ALA 593 N 0.00 1.61 -3.35 4.61 0.00 -1.33 -3.39 119.26 117.41 1y1u h ALA 593 Ca 0.00 -0.01 -0.68 0.00 0.00 0.00 0.00 54.91 54.22 1y1u h ALA 593 Cb 0.00 -0.00 -0.36 0.00 0.00 0.00 0.00 17.79 17.43 1y1u h ALA 593 CO 0.00 0.02 -0.62 -1.50 0.00 0.00 0.00 179.25 177.15 1y1u s ILE 594 N -4.69 2.95 0.10 0.00 1.10 -1.23 -4.58 121.20 114.84 1y1u s ILE 594 Ca -0.05 -2.06 -0.20 0.00 -0.51 0.00 0.00 60.65 57.83 1y1u s ILE 594 Cb 0.15 -3.02 -0.08 0.00 0.15 0.00 0.00 42.46 39.66 1y1u s ILE 594 CO 0.58 -0.59 1.65 0.25 -2.11 0.00 0.00 174.94 174.72 1y1u h LEU 595 N 7.91 0.29 0.00 8.50 5.85 -1.73 -3.46 115.31 132.67 1y1u h LEU 595 Ca -0.11 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.46 1y1u h LEU 595 Cb 1.04 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.00 1y1u h LEU 595 CO 0.63 0.36 0.00 0.61 -0.34 0.00 0.00 178.44 179.69 1y1u n GLY 596 N -0.77 1.77 2.95 3.75 0.00 0.22 -4.76 105.19 108.36 1y1u n GLY 596 Ca -0.03 -0.10 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 1y1u n GLY 596 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1y1u n PHE 597 N 0.00 2.50 -3.81 1.61 3.01 -1.26 0.45 117.46 119.97 1y1u n PHE 597 Ca 0.00 -2.65 -0.12 0.00 1.01 0.00 0.00 57.45 55.68 1y1u n PHE 597 Cb 0.00 -1.52 -0.11 0.00 -0.01 0.00 0.00 39.48 37.84 1y1u n PHE 597 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1y1u s VAL 598 N -1.59 0.03 0.21 -4.37 1.01 -1.26 -4.75 120.40 109.69 1y1u s VAL 598 Ca 0.34 -0.27 0.04 0.00 0.00 0.00 0.00 61.98 62.10 1y1u s VAL 598 Cb 0.07 -0.41 -0.03 0.00 0.00 0.00 0.00 36.38 36.00 1y1u s VAL 598 CO 0.07 -0.15 0.33 0.54 0.00 0.00 0.00 175.10 175.89 1y1u s ASN 599 N -0.54 6.29 0.31 3.32 6.03 -1.26 -4.50 114.94 124.59 1y1u s ASN 599 Ca -0.06 0.09 0.04 0.00 -1.03 0.00 0.00 52.86 51.90 1y1u s ASN 599 Cb -0.04 -1.85 0.83 0.00 -3.03 0.00 0.00 41.25 37.16 1y1u s ASN 599 CO 0.01 -0.03 1.55 1.17 -2.03 0.00 0.00 177.10 177.77 1y1u n LYS 600 N -1.13 -0.08 0.15 3.55 3.00 -1.26 -0.22 118.16 122.17 1y1u n LYS 600 Ca -0.08 1.46 -0.14 0.00 -0.00 0.00 0.00 58.31 59.55 1y1u n LYS 600 Cb 0.56 -2.36 -0.07 0.00 0.00 0.00 0.00 35.03 33.15 1y1u n LYS 600 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.40 177.77 1y1u h GLN 601 N 0.00 -0.31 -0.89 1.64 5.75 -1.98 0.31 115.11 119.63 1y1u h GLN 601 Ca 0.63 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 59.15 1y1u h GLN 601 Cb 1.37 0.07 -0.04 0.00 1.07 0.00 0.00 27.48 29.94 1y1u h GLN 601 CO -0.91 -0.21 0.57 1.96 -2.65 0.00 0.00 178.83 177.60 1y1u h GLN 602 N -0.32 1.19 -0.55 1.69 4.20 -0.99 0.20 115.11 120.52 1y1u h GLN 602 Ca -0.03 -0.09 0.07 0.00 0.06 0.00 0.00 58.65 58.67 1y1u h GLN 602 Cb 0.26 -0.26 -0.06 0.00 0.30 0.00 0.00 27.48 27.71 1y1u h GLN 602 CO 0.04 0.81 0.23 0.00 -0.67 0.00 0.00 178.83 179.24 1y1u h ALA 603 N 1.41 0.71 -0.23 3.87 0.00 -0.71 -0.78 119.26 123.53 1y1u h ALA 603 Ca 0.32 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.30 1y1u h ALA 603 Cb -0.11 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1y1u h ALA 603 CO -0.07 -0.15 0.12 1.25 0.00 0.00 0.00 179.25 180.40 1y1u h HIS 604 N 0.44 0.23 -0.17 0.00 -0.00 0.15 -3.05 115.15 112.74 1y1u h HIS 604 Ca 0.27 0.01 -0.08 0.00 -0.00 0.00 0.00 60.37 60.57 1y1u h HIS 604 Cb 0.26 -0.07 -0.00 0.00 -0.00 0.00 0.00 27.41 27.60 1y1u h HIS 604 CO -0.14 0.13 -0.19 -0.44 -0.00 0.00 0.00 177.93 177.29 1y1u h ASP 605 N 0.26 0.47 0.54 3.26 3.32 -0.49 -2.62 116.42 121.15 1y1u h ASP 605 Ca 0.09 -0.49 0.00 0.00 0.02 0.00 0.00 57.03 56.65 1y1u h ASP 605 Cb 0.01 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.43 1y1u h ASP 605 CO -0.05 0.87 0.00 -0.07 -1.72 0.00 0.00 179.24 178.26 1y1u h LEU 606 N 0.09 0.00 0.00 1.55 3.38 -1.14 -3.18 115.31 116.01 1y1u h LEU 606 Ca 0.03 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.77 1y1u h LEU 606 Cb 0.74 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.45 1y1u h LEU 606 CO 0.05 0.00 -1.86 0.18 0.09 0.00 0.00 178.44 176.90 1y1u n LEU 607 N -2.78 1.24 -0.23 1.67 4.77 -1.15 -4.75 117.00 115.77 1y1u n LEU 607 Ca -0.00 -0.03 -0.01 0.00 -0.03 0.00 0.00 56.01 55.94 1y1u n LEU 607 Cb 0.19 -0.05 0.06 0.00 -2.33 0.00 0.00 43.42 41.29 1y1u n LEU 607 CO 0.21 0.49 0.71 0.16 -1.33 0.00 0.00 177.39 177.63 1y1u h ILE 608 N 0.00 0.29 -0.13 -0.08 3.07 -1.44 0.38 117.51 119.60 1y1u h ILE 608 Ca -0.34 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.07 1y1u h ILE 608 Cb 1.66 0.29 0.00 0.00 -0.27 0.00 0.00 36.82 38.50 1y1u h ILE 608 CO -0.01 0.00 0.00 -0.46 -1.05 0.00 0.00 178.15 176.63 1y1u n ASN 609 N -5.46 0.68 -4.93 2.16 2.04 -1.26 -4.93 115.26 103.57 1y1u n ASN 609 Ca 0.08 -1.97 -0.25 0.00 -0.44 0.00 0.00 54.58 51.99 1y1u n ASN 609 Cb 0.35 -0.08 0.03 0.00 -2.53 0.00 0.00 39.78 37.55 1y1u n ASN 609 CO 0.00 0.00 0.00 -0.54 -0.44 0.00 0.00 177.26 176.28 1y1u s LYS 610 N -1.83 2.79 0.92 -3.83 -0.14 0.13 -5.06 119.74 112.71 1y1u s LYS 610 Ca 0.10 -0.19 -0.10 0.00 -1.36 0.00 0.00 55.97 54.42 1y1u s LYS 610 Cb 0.05 -2.32 0.15 0.00 -1.68 0.00 0.00 37.83 34.03 1y1u s LYS 610 CO 0.07 -0.73 1.14 -2.14 -0.76 0.00 0.00 175.35 172.93 1y1u s PRO 611 N -4.95 1.01 -0.37 -1.68 0.02 -1.26 -4.87 135.00 122.90 1y1u s PRO 611 Ca 0.54 1.50 -0.28 0.00 0.02 0.00 0.00 61.00 62.79 1y1u s PRO 611 Cb -0.10 -1.73 -0.02 0.00 0.02 0.00 0.00 34.50 32.67 1y1u s PRO 611 CO 0.43 -2.62 1.78 -0.51 -0.33 0.00 0.00 177.00 175.76 1y1u s ASP 612 N -2.71 5.83 0.00 2.53 1.01 -1.26 -2.24 116.67 119.83 1y1u s ASP 612 Ca 0.66 1.14 0.00 0.00 0.71 0.00 0.00 52.55 55.07 1y1u s ASP 612 Cb -0.23 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.18 1y1u s ASP 612 CO 0.58 -1.79 0.00 0.61 0.21 0.00 0.00 175.17 174.78 1y1u n GLY 613 N 5.44 1.82 3.56 0.21 0.00 0.24 -4.75 105.19 111.71 1y1u n GLY 613 Ca 0.22 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.72 1y1u n GLY 613 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1y1u n THR 614 N 0.00 0.27 -4.14 2.61 -1.04 -0.95 -0.94 114.28 110.10 1y1u n THR 614 Ca 0.00 -0.07 -0.15 0.00 -2.04 0.00 0.00 64.05 61.79 1y1u n THR 614 Cb 0.00 -0.64 -0.05 0.00 -1.82 0.00 0.00 70.33 67.81 1y1u n THR 614 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 1y1u s PHE 615 N 0.19 1.20 0.24 -1.42 -0.71 -0.98 -0.99 117.98 115.51 1y1u s PHE 615 Ca 0.82 -1.36 -0.09 0.00 -1.04 0.00 0.00 56.93 55.26 1y1u s PHE 615 Cb -0.99 -0.25 -0.01 0.00 -1.21 0.00 0.00 43.02 40.56 1y1u s PHE 615 CO 0.50 -1.04 0.39 -0.48 -1.34 0.00 0.00 175.22 173.25 1y1u s LEU 616 N -3.26 0.59 -0.13 -1.99 0.05 0.80 -0.36 118.68 114.38 1y1u s LEU 616 Ca 0.33 -1.09 0.01 0.00 0.05 0.00 0.00 54.13 53.42 1y1u s LEU 616 Cb 0.01 1.38 -0.01 0.00 -2.05 0.00 0.00 46.19 45.52 1y1u s LEU 616 CO 0.21 -1.07 -0.15 -0.76 -0.55 0.00 0.00 176.35 174.03 1y1u s LEU 617 N -3.07 2.59 -0.04 1.48 1.43 -1.26 -1.93 118.68 117.88 1y1u s LEU 617 Ca 0.27 -0.38 0.03 0.00 -1.03 0.00 0.00 54.13 53.02 1y1u s LEU 617 Cb 0.01 -1.58 0.01 0.00 0.03 0.00 0.00 46.19 44.66 1y1u s LEU 617 CO 0.11 0.15 -0.10 -0.60 0.23 0.00 0.00 176.35 176.13 1y1u s ARG 618 N 0.43 1.22 -0.37 1.70 3.52 -0.83 0.73 118.95 125.35 1y1u s ARG 618 Ca -0.11 -0.35 -0.29 0.00 -0.13 0.00 0.00 55.73 54.85 1y1u s ARG 618 Cb -0.16 -1.09 -0.00 0.00 -1.56 0.00 0.00 34.95 32.13 1y1u s ARG 618 CO 0.05 0.10 1.61 -0.06 -0.81 0.00 0.00 175.30 176.19 1y1u s PHE 619 N 0.33 2.10 -0.57 5.12 2.99 0.17 -1.85 117.98 126.27 1y1u s PHE 619 Ca -0.06 0.64 -0.26 0.00 0.00 0.00 0.00 56.93 57.25 1y1u s PHE 619 Cb -0.11 -4.22 -0.04 0.00 0.00 0.00 0.00 43.02 38.65 1y1u s PHE 619 CO 0.01 -2.49 2.07 -1.12 -0.00 0.00 0.00 175.22 173.69 1y1u s SER 620 N 5.00 4.95 0.47 1.36 0.01 -0.32 -4.76 113.70 120.42 1y1u s SER 620 Ca 0.71 0.60 0.14 0.00 1.31 0.00 0.00 55.95 58.71 1y1u s SER 620 Cb -0.18 -2.52 1.08 0.00 0.21 0.00 0.00 66.02 64.61 1y1u s SER 620 CO 0.33 -2.57 2.06 -2.24 0.41 0.00 0.00 173.24 171.23 1y1u h ASP 621 N 16.67 0.07 -0.16 2.44 3.04 -1.90 -1.98 116.42 134.59 1y1u h ASP 621 Ca -0.25 -0.01 0.02 0.00 -3.24 0.00 0.00 57.03 53.56 1y1u h ASP 621 Cb 1.20 -0.02 -0.03 0.00 -1.04 0.00 0.00 39.33 39.45 1y1u h ASP 621 CO 1.20 0.14 -0.06 -1.20 -2.04 0.00 0.00 179.24 177.28 1y1u n SER 622 N -4.43 -0.10 -3.58 4.15 7.64 -1.26 -4.71 113.62 111.33 1y1u n SER 622 Ca -0.02 0.27 -0.16 0.00 1.01 0.00 0.00 58.87 59.97 1y1u n SER 622 Cb 0.16 -0.06 -0.06 0.00 -1.01 0.00 0.00 64.21 63.23 1y1u n SER 622 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1y1u s GLU 623 N -5.15 0.97 0.59 1.43 2.56 -0.75 -5.07 118.70 113.28 1y1u s GLU 623 Ca -0.02 0.05 0.30 0.00 0.00 0.00 0.00 54.97 55.30 1y1u s GLU 623 Cb 0.03 0.45 1.31 0.00 2.00 0.00 0.00 34.13 37.92 1y1u s GLU 623 CO 0.11 -0.31 1.65 0.82 -0.56 0.00 0.00 175.26 176.98 1y1u h ILE 624 N 3.14 0.21 0.00 -3.70 1.08 -1.84 -2.88 117.51 113.52 1y1u h ILE 624 Ca -0.28 0.00 -0.19 0.00 -0.39 0.00 0.00 64.86 63.99 1y1u h ILE 624 Cb 1.16 0.33 -0.13 0.00 -3.07 0.00 0.00 36.82 35.11 1y1u h ILE 624 CO 0.40 0.00 -0.25 0.61 -0.69 0.00 0.00 178.15 178.22 1y1u n GLY 625 N -1.64 0.04 3.14 5.37 0.00 -1.26 -4.79 105.19 106.05 1y1u n GLY 625 Ca 0.18 0.23 -0.24 0.00 0.00 0.00 0.00 46.02 46.18 1y1u n GLY 625 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y1u n GLY 626 N 0.22 3.35 2.95 -0.02 0.00 -1.09 -4.50 105.19 106.10 1y1u n GLY 626 Ca -0.00 -2.14 -0.28 0.00 0.00 0.00 0.00 46.02 43.60 1y1u n GLY 626 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y1u s ILE 627 N -2.93 1.21 0.18 -0.61 1.01 -0.89 -1.17 121.20 117.99 1y1u s ILE 627 Ca 0.16 -0.41 -0.21 0.00 0.00 0.00 0.00 60.65 60.20 1y1u s ILE 627 Cb 0.01 -1.18 -0.08 0.00 0.01 0.00 0.00 42.46 41.22 1y1u s ILE 627 CO 0.12 0.40 0.71 0.42 0.00 0.00 0.00 174.94 176.59 1y1u s THR 628 N 1.57 4.54 -0.31 2.92 -4.23 -0.77 -2.82 115.64 116.55 1y1u s THR 628 Ca 0.04 1.38 -0.17 0.00 -1.18 0.00 0.00 61.69 61.75 1y1u s THR 628 Cb -0.13 -3.94 -0.02 0.00 1.34 0.00 0.00 72.50 69.76 1y1u s THR 628 CO -0.08 0.34 0.49 -0.63 -0.54 0.00 0.00 174.62 174.20 1y1u s ILE 629 N -1.36 5.06 -0.18 2.99 1.01 -1.25 -1.96 121.20 125.50 1y1u s ILE 629 Ca 0.39 0.54 -0.07 0.00 0.00 0.00 0.00 60.65 61.51 1y1u s ILE 629 Cb -0.19 -3.87 -0.04 0.00 0.01 0.00 0.00 42.46 38.37 1y1u s ILE 629 CO 0.22 -0.06 0.06 0.00 0.00 0.00 0.00 174.94 175.16 1y1u s ALA 630 N 2.31 3.39 0.21 9.38 0.00 -0.81 -1.71 121.76 134.53 1y1u s ALA 630 Ca 0.19 -0.76 0.01 0.00 0.00 0.00 0.00 51.96 51.40 1y1u s ALA 630 Cb -0.16 -1.92 -0.00 0.00 0.00 0.00 0.00 23.12 21.04 1y1u s ALA 630 CO 0.11 0.16 0.03 -2.67 0.00 0.00 0.00 175.76 173.40 1y1u n TRP 631 N 3.57 0.33 -3.64 0.00 2.14 0.56 -0.14 117.44 120.26 1y1u n TRP 631 Ca -0.17 -1.17 -0.20 0.00 2.07 0.00 0.00 57.50 58.04 1y1u n TRP 631 Cb 0.52 -0.09 -0.16 0.00 -0.81 0.00 0.00 31.31 30.77 1y1u n TRP 631 CO 0.00 0.00 0.00 0.21 2.07 0.00 0.00 177.69 179.97 1y1u s LYS 632 N -2.78 0.03 0.19 -2.67 2.20 -0.16 -3.53 119.74 113.01 1y1u s LYS 632 Ca 0.04 0.35 0.11 0.00 -0.36 0.00 0.00 55.97 56.11 1y1u s LYS 632 Cb 0.00 -0.74 -0.04 0.00 -1.51 0.00 0.00 37.83 35.54 1y1u s LYS 632 CO 0.03 -0.42 -0.19 0.12 -0.36 0.00 0.00 175.35 174.52 1y1u s PHE 633 N 2.24 2.42 0.39 4.03 5.36 -1.26 -0.59 117.98 130.56 1y1u s PHE 633 Ca 0.04 -0.31 0.21 0.00 -0.96 0.00 0.00 56.93 55.91 1y1u s PHE 633 Cb -0.13 -1.19 1.14 0.00 -0.34 0.00 0.00 43.02 42.50 1y1u s PHE 633 CO -0.06 0.51 1.98 -0.44 -1.46 0.00 0.00 175.22 175.74 1y1u h ASP 634 N 3.09 0.00 -2.00 6.13 3.45 -1.97 -3.11 116.42 122.01 1y1u h ASP 634 Ca -0.46 0.00 -0.78 0.00 0.43 0.00 0.00 57.03 56.21 1y1u h ASP 634 Cb 1.21 0.00 -0.21 0.00 -0.56 0.00 0.00 39.33 39.77 1y1u h ASP 634 CO 0.50 0.20 1.51 -0.24 -1.57 0.00 0.00 179.24 179.64 1y1u n SER 635 N -3.88 6.56 0.00 6.45 2.88 -1.26 -4.91 113.62 119.46 1y1u n SER 635 Ca -0.02 -3.33 0.00 0.00 -1.33 0.00 0.00 58.87 54.19 1y1u n SER 635 Cb 0.29 -1.33 0.00 0.00 -0.75 0.00 0.00 64.21 62.43 1y1u n SER 635 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1y1u n PRO 636 N 1.83 0.00 0.00 -1.46 -0.04 -1.18 -5.08 135.00 129.07 1y1u n PRO 636 Ca 0.41 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.87 1y1u n PRO 636 Cb 0.31 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.77 1y1u n PRO 636 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1y1u n ASP 637 N 0.00 0.00 0.20 3.54 9.92 -1.26 -4.72 116.55 124.22 1y1u n ASP 637 Ca 0.00 0.00 0.10 0.00 -0.53 0.00 0.00 54.79 54.36 1y1u n ASP 637 Cb 0.00 0.00 0.13 0.00 -0.64 0.00 0.00 41.12 40.61 1y1u n ASP 637 CO 0.00 0.00 0.00 0.03 0.13 0.00 0.00 177.20 177.36 1y1u h ARG 638 N 0.00 0.00 -3.46 -1.24 2.47 -2.04 -3.01 114.38 107.09 1y1u h ARG 638 Ca 0.00 0.00 -0.78 0.00 -1.26 0.00 0.00 59.98 57.94 1y1u h ARG 638 Cb 0.00 0.00 -0.22 0.00 -1.65 0.00 0.00 29.97 28.10 1y1u h ARG 638 CO 0.00 0.12 1.24 -1.71 0.56 0.00 0.00 179.97 180.18 1y1u n ASN 639 N -3.11 5.68 -4.81 7.04 5.15 -1.26 -5.05 115.26 118.90 1y1u n ASN 639 Ca 0.03 -3.20 -0.33 0.00 -0.60 0.00 0.00 54.58 50.48 1y1u n ASN 639 Cb 0.58 -1.40 -0.01 0.00 -0.53 0.00 0.00 39.78 38.42 1y1u n ASN 639 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1y1u s LEU 640 N -1.08 3.65 -0.75 1.20 0.20 -1.14 -4.84 118.68 115.93 1y1u s LEU 640 Ca 0.36 1.82 -0.31 0.00 0.69 0.00 0.00 54.13 56.69 1y1u s LEU 640 Cb 0.03 -4.54 -0.16 0.00 -0.43 0.00 0.00 46.19 41.09 1y1u s LEU 640 CO 0.03 -0.93 2.53 0.79 -0.29 0.00 0.00 176.35 178.48 1y1u n TRP 641 N -1.54 0.96 -3.74 5.38 7.02 -1.23 -4.85 117.44 119.43 1y1u n TRP 641 Ca 0.09 0.32 -0.13 0.00 -1.02 0.00 0.00 57.50 56.75 1y1u n TRP 641 Cb 0.53 -2.47 -0.14 0.00 -2.42 0.00 0.00 31.31 26.81 1y1u n TRP 641 CO 0.00 0.00 0.00 0.54 -2.02 0.00 0.00 177.69 176.21 1y1u s ASN 642 N 9.60 -0.14 0.24 -0.99 2.20 -1.26 0.21 114.94 124.80 1y1u s ASN 642 Ca 1.21 0.34 0.03 0.00 -0.94 0.00 0.00 52.86 53.51 1y1u s ASN 642 Cb -0.91 0.23 -0.03 0.00 -2.00 0.00 0.00 41.25 38.54 1y1u s ASN 642 CO 0.43 -0.15 0.38 -1.48 -2.94 0.00 0.00 177.10 173.34 1y1u s LEU 643 N 1.20 4.26 0.63 3.54 2.34 -0.70 -4.97 118.68 124.99 1y1u s LEU 643 Ca -0.09 0.17 -0.18 0.00 0.06 0.00 0.00 54.13 54.10 1y1u s LEU 643 Cb -0.11 -2.97 -0.01 0.00 -0.56 0.00 0.00 46.19 42.53 1y1u s LEU 643 CO -0.06 -0.09 1.22 -0.54 -1.06 0.00 0.00 176.35 175.81 1y1u s LYS 644 N -3.88 2.72 0.65 1.48 1.02 -1.26 -3.84 119.74 116.63 1y1u s LYS 644 Ca 0.35 1.83 -0.18 0.00 0.02 0.00 0.00 55.97 58.00 1y1u s LYS 644 Cb -0.10 -1.90 -0.01 0.00 -0.52 0.00 0.00 37.83 35.31 1y1u s LYS 644 CO 0.30 -1.40 1.29 -2.14 -0.92 0.00 0.00 175.35 172.48 1y1u s PRO 645 N -3.49 2.55 -0.12 -1.68 0.02 -1.26 -4.82 135.00 126.21 1y1u s PRO 645 Ca 0.77 2.06 -0.02 0.00 0.02 0.00 0.00 61.00 63.83 1y1u s PRO 645 Cb -0.31 -1.85 -0.03 0.00 0.02 0.00 0.00 34.50 32.34 1y1u s PRO 645 CO 0.37 -1.59 -0.04 -0.06 -0.33 0.00 0.00 177.00 175.35 1y1u s PHE 646 N -1.40 3.02 0.17 6.54 2.99 -1.13 -4.93 117.98 123.23 1y1u s PHE 646 Ca 0.82 -0.11 0.02 0.00 0.00 0.00 0.00 56.93 57.67 1y1u s PHE 646 Cb -0.37 -1.85 0.02 0.00 0.00 0.00 0.00 43.02 40.82 1y1u s PHE 646 CO 0.40 0.17 0.16 0.25 -0.00 0.00 0.00 175.22 176.20 1y1u n THR 647 N 2.87 0.00 -0.34 0.64 -2.24 -1.26 -2.10 114.28 111.84 1y1u n THR 647 Ca -0.18 -0.62 0.14 0.00 -2.27 0.00 0.00 64.05 61.12 1y1u n THR 647 Cb 0.53 -0.53 0.35 0.00 -2.10 0.00 0.00 70.33 68.58 1y1u n THR 647 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1y1u h THR 648 N 0.37 0.68 0.00 4.28 1.03 -1.98 -2.39 112.91 114.91 1y1u h THR 648 Ca -0.10 -0.24 0.00 0.00 -0.01 0.00 0.00 66.41 66.06 1y1u h THR 648 Cb 0.37 -0.09 0.00 0.00 -1.07 0.00 0.00 68.15 67.37 1y1u h THR 648 CO 0.15 0.13 0.00 0.54 -0.01 0.00 0.00 175.52 176.33 1y1u n ARG 649 N -4.75 0.00 -0.30 0.00 1.74 -1.26 -0.91 116.66 111.19 1y1u n ARG 649 Ca 0.23 0.46 0.11 0.00 -0.77 0.00 0.00 57.85 57.88 1y1u n ARG 649 Cb 0.61 -1.21 0.21 0.00 -1.02 0.00 0.00 32.46 31.05 1y1u n ARG 649 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1y1u n ASP 650 N -1.49 -0.16 0.18 0.55 9.92 -1.13 -0.33 116.55 124.09 1y1u n ASP 650 Ca 0.00 1.46 0.04 0.00 -0.53 0.00 0.00 54.79 55.76 1y1u n ASP 650 Cb 0.00 -0.51 0.34 0.00 -0.64 0.00 0.00 41.12 40.32 1y1u n ASP 650 CO 0.00 0.00 0.00 -0.26 0.13 0.00 0.00 177.20 177.07 1y1u h PHE 651 N 0.00 0.00 0.06 1.24 0.05 -0.87 0.14 116.94 117.55 1y1u h PHE 651 Ca 0.49 0.00 -0.00 0.00 3.82 0.00 0.00 57.97 62.28 1y1u h PHE 651 Cb 0.94 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.89 1y1u h PHE 651 CO -0.50 0.40 -0.03 0.77 -0.18 0.00 0.00 178.31 178.77 1y1u h SER 652 N 0.00 -0.06 -1.40 2.17 0.02 0.12 -3.19 113.55 111.21 1y1u h SER 652 Ca -0.00 0.00 0.46 0.00 -0.84 0.00 0.00 61.79 61.41 1y1u h SER 652 Cb 0.83 0.02 -0.12 0.00 0.14 0.00 0.00 62.40 63.27 1y1u h SER 652 CO 0.05 0.00 0.93 0.00 -1.14 0.00 0.00 176.83 176.68 1y1u n ILE 653 N -2.47 -0.18 -3.63 3.27 0.13 -0.99 -4.44 119.36 111.05 1y1u n ILE 653 Ca -0.01 1.59 -0.12 0.00 -1.10 0.00 0.00 62.75 63.11 1y1u n ILE 653 Cb 0.03 -2.62 -0.07 0.00 -0.84 0.00 0.00 39.64 36.14 1y1u n ILE 653 CO 0.00 0.00 0.00 -0.60 2.80 0.00 0.00 176.55 178.75 1y1u s ARG 654 N -5.01 0.72 0.43 9.51 3.52 0.47 -5.10 118.95 123.49 1y1u s ARG 654 Ca -0.06 0.87 -0.22 0.00 -0.13 0.00 0.00 55.73 56.18 1y1u s ARG 654 Cb 0.28 0.35 -0.09 0.00 -1.56 0.00 0.00 34.95 33.92 1y1u s ARG 654 CO 0.77 -0.09 1.02 -1.54 -0.81 0.00 0.00 175.30 174.65 1y1u s SER 655 N 0.36 6.67 0.14 -2.12 1.04 -1.20 -3.60 113.70 114.98 1y1u s SER 655 Ca 0.01 1.91 -0.23 0.00 0.48 0.00 0.00 55.95 58.11 1y1u s SER 655 Cb -0.05 -2.57 -0.01 0.00 0.10 0.00 0.00 66.02 63.50 1y1u s SER 655 CO -0.02 -0.55 1.64 0.25 0.98 0.00 0.00 173.24 175.54 1y1u h LEU 656 N 2.05 -0.69 -0.48 2.42 5.85 -1.92 0.48 115.31 123.02 1y1u h LEU 656 Ca -0.49 0.12 0.10 0.00 0.84 0.00 0.00 57.88 58.44 1y1u h LEU 656 Cb 1.21 0.31 -0.09 0.00 0.37 0.00 0.00 40.66 42.46 1y1u h LEU 656 CO 0.61 -0.27 -0.11 0.00 -0.34 0.00 0.00 178.44 178.33 1y1u h ALA 657 N 0.70 0.33 0.13 1.25 0.00 -1.94 0.99 119.26 120.73 1y1u h ALA 657 Ca 0.10 0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 1y1u h ALA 657 Cb 0.43 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1y1u h ALA 657 CO -0.30 -0.44 -0.09 -0.44 0.00 0.00 0.00 179.25 177.98 1y1u h ASP 658 N 0.01 -0.24 -0.76 0.00 3.32 -1.68 -0.05 116.42 117.01 1y1u h ASP 658 Ca 0.23 0.02 0.13 0.00 0.02 0.00 0.00 57.03 57.44 1y1u h ASP 658 Cb 0.36 0.08 -0.09 0.00 0.22 0.00 0.00 39.33 39.89 1y1u h ASP 658 CO -0.49 -0.15 0.34 0.03 -1.72 0.00 0.00 179.24 177.25 1y1u h ARG 659 N -0.23 0.50 -0.36 3.56 3.08 0.17 0.19 114.38 121.28 1y1u h ARG 659 Ca -0.01 -0.03 -0.11 0.00 0.07 0.00 0.00 59.98 59.90 1y1u h ARG 659 Cb 0.20 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 1y1u h ARG 659 CO -0.00 0.33 -0.23 -0.07 -1.07 0.00 0.00 179.97 178.92 1y1u h LEU 660 N 0.51 0.73 -0.59 3.04 3.38 0.12 -3.16 115.31 119.35 1y1u h LEU 660 Ca 0.41 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1y1u h LEU 660 Cb 0.58 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1y1u h LEU 660 CO -0.37 0.95 0.00 0.61 0.09 0.00 0.00 178.44 179.72 1y1u n GLY 661 N -0.25 -1.28 0.13 0.83 0.00 0.00 -2.57 105.19 102.06 1y1u n GLY 661 Ca -0.00 0.07 0.10 0.00 0.00 0.00 0.00 46.02 46.19 1y1u n GLY 661 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1y1u h ASP 662 N 0.00 0.00 -3.59 1.61 3.32 -1.38 -3.46 116.42 112.92 1y1u h ASP 662 Ca 0.00 0.00 -0.62 0.00 0.02 0.00 0.00 57.03 56.43 1y1u h ASP 662 Cb 0.38 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 39.80 1y1u h ASP 662 CO 0.00 0.06 -0.04 -0.76 -1.72 0.00 0.00 179.24 176.78 1y1u s LEU 663 N -5.55 4.06 0.08 1.55 1.43 -1.06 -4.97 118.68 114.21 1y1u s LEU 663 Ca 0.01 0.51 -0.08 0.00 -1.03 0.00 0.00 54.13 53.53 1y1u s LEU 663 Cb 0.09 -2.64 -0.25 0.00 0.03 0.00 0.00 46.19 43.41 1y1u s LEU 663 CO 0.77 -0.26 1.15 0.78 0.23 0.00 0.00 176.35 179.02 1y1u h ASN 664 N 7.97 0.61 -0.53 2.29 2.35 -1.88 -3.26 115.58 123.14 1y1u h ASN 664 Ca -0.30 -0.60 0.02 0.00 -0.55 0.00 0.00 56.30 54.87 1y1u h ASN 664 Cb 1.14 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 39.29 1y1u h ASN 664 CO 0.71 1.44 0.35 0.10 -1.65 0.00 0.00 177.43 178.38 1y1u h TYR 665 N 0.16 0.62 -2.10 1.19 -0.00 -1.95 -3.38 116.97 111.51 1y1u h TYR 665 Ca -0.15 0.01 -0.51 0.00 0.00 0.00 0.00 58.73 58.08 1y1u h TYR 665 Cb 1.91 -0.21 -0.03 0.00 0.00 0.00 0.00 36.73 38.40 1y1u h TYR 665 CO 0.08 0.37 1.36 -0.51 -0.00 0.00 0.00 178.16 179.47 1y1u s LEU 666 N -9.57 3.35 -0.19 0.10 1.43 -1.23 -4.04 118.68 108.52 1y1u s LEU 666 Ca -0.09 0.60 -0.11 0.00 -1.03 0.00 0.00 54.13 53.50 1y1u s LEU 666 Cb 0.18 -2.74 -0.08 0.00 0.03 0.00 0.00 46.19 43.58 1y1u s LEU 666 CO 0.75 -2.28 -0.27 0.00 0.23 0.00 0.00 176.35 174.78 1y1u n ILE 667 N 7.32 1.23 -3.93 -0.59 0.13 -0.11 -4.88 119.36 118.53 1y1u n ILE 667 Ca 0.22 -0.17 -0.10 0.00 -1.10 0.00 0.00 62.75 61.60 1y1u n ILE 667 Cb 0.51 -1.88 -0.11 0.00 -0.84 0.00 0.00 39.64 37.32 1y1u n ILE 667 CO 0.00 0.00 0.00 -0.72 2.80 0.00 0.00 176.55 178.63 1y1u s TYR 668 N -2.46 0.15 0.03 9.51 -0.85 -1.22 -1.29 117.35 121.21 1y1u s TYR 668 Ca -0.28 -0.31 -0.30 0.00 -0.52 0.00 0.00 57.07 55.66 1y1u s TYR 668 Cb 0.09 -0.12 -0.04 0.00 0.38 0.00 0.00 41.96 42.27 1y1u s TYR 668 CO 0.36 -0.19 1.13 0.14 -1.52 0.00 0.00 175.55 175.47 1y1u s VAL 669 N -1.20 4.31 0.00 -3.49 -7.23 0.58 -2.32 120.40 111.05 1y1u s VAL 669 Ca -0.13 1.66 0.00 0.00 -1.81 0.00 0.00 61.98 61.69 1y1u s VAL 669 Cb -0.08 -4.06 0.00 0.00 0.56 0.00 0.00 36.38 32.80 1y1u s VAL 669 CO -0.00 0.11 0.00 0.33 -0.31 0.00 0.00 175.10 175.23 1y1u n PHE 670 N 4.11 0.00 -0.30 2.82 7.35 0.51 -3.27 117.46 128.69 1y1u n PHE 670 Ca 0.08 0.00 0.13 0.00 -0.76 0.00 0.00 57.45 56.90 1y1u n PHE 670 Cb 0.48 0.00 0.26 0.00 0.35 0.00 0.00 39.48 40.56 1y1u n PHE 670 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 1y1u n PRO 671 N 0.00 -0.07 0.00 -7.13 -0.02 -1.26 -4.35 135.00 122.17 1y1u n PRO 671 Ca 0.00 1.30 0.00 0.00 -2.02 0.00 0.00 63.50 62.78 1y1u n PRO 671 Cb 0.00 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 1y1u n PRO 671 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1y1u n ASP 672 N -5.25 0.00 -4.65 2.55 5.75 -1.20 -5.13 116.55 108.61 1y1u n ASP 672 Ca 0.20 0.00 -0.47 0.00 -0.01 0.00 0.00 54.79 54.51 1y1u n ASP 672 Cb 0.67 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.72 1y1u n ASP 672 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 1y1u n ARG 673 N -0.39 1.88 -1.26 0.11 1.85 -1.23 -4.63 116.66 112.99 1y1u n ARG 673 Ca 0.00 0.68 -0.33 0.00 -1.00 0.00 0.00 57.85 57.19 1y1u n ARG 673 Cb 0.00 -2.39 0.11 0.00 -1.05 0.00 0.00 32.46 29.13 1y1u n ARG 673 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1y1u s PRO 674 N 0.54 1.92 0.00 2.89 0.04 -1.26 -0.31 135.00 138.83 1y1u s PRO 674 Ca 0.78 1.62 0.00 0.00 0.04 0.00 0.00 61.00 63.44 1y1u s PRO 674 Cb -0.74 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 31.98 1y1u s PRO 674 CO 0.42 -1.97 0.94 1.17 0.04 0.00 0.00 177.00 177.61 1y1u n LYS 675 N -3.15 0.00 -0.17 4.56 4.81 -0.41 -3.06 118.16 120.74 1y1u n LYS 675 Ca 0.12 0.49 -0.01 0.00 -0.87 0.00 0.00 58.31 58.04 1y1u n LYS 675 Cb 0.51 -1.46 0.01 0.00 0.02 0.00 0.00 35.03 34.11 1y1u n LYS 675 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1y1u n ASP 676 N -1.96 -0.30 -0.36 3.14 9.92 -1.26 0.88 116.55 126.60 1y1u n ASP 676 Ca 0.00 0.77 -0.03 0.00 -0.53 0.00 0.00 54.79 55.00 1y1u n ASP 676 Cb 0.00 -0.17 0.02 0.00 -0.64 0.00 0.00 41.12 40.33 1y1u n ASP 676 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 1y1u h GLU 677 N 0.00 -0.03 -0.01 -1.24 4.81 -1.93 0.72 114.58 116.90 1y1u h GLU 677 Ca 0.14 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 1y1u h GLU 677 Cb 0.25 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.64 1y1u h GLU 677 CO -0.43 -0.02 -0.12 0.28 -0.73 0.00 0.00 179.01 177.99 1y1u n VAL 678 N -5.45 0.00 0.00 0.32 0.31 0.25 -4.40 118.33 109.36 1y1u n VAL 678 Ca 0.09 -0.23 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 1y1u n VAL 678 Cb 0.38 0.62 0.00 0.00 -0.91 0.00 0.00 33.84 33.93 1y1u n VAL 678 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1y1u n PHE 679 N -0.01 0.00 0.18 3.52 3.01 -0.61 -4.88 117.46 118.68 1y1u n PHE 679 Ca 0.15 0.00 0.18 0.00 1.01 0.00 0.00 57.45 58.80 1y1u n PHE 679 Cb 0.39 0.00 0.75 0.00 -0.01 0.00 0.00 39.48 40.61 1y1u n PHE 679 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1y1u h ALA 680 N 0.00 1.83 -0.90 4.37 0.00 0.20 0.79 119.26 125.55 1y1u h ALA 680 Ca 0.00 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.99 1y1u h ALA 680 Cb 0.07 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.81 1y1u h ALA 680 CO 0.00 -0.56 0.55 -0.22 0.00 0.00 0.00 179.25 179.02 1y1u h LYS 681 N 0.00 0.91 -0.11 0.00 3.64 -1.86 -3.27 116.57 115.88 1y1u h LYS 681 Ca 0.12 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1y1u h LYS 681 Cb 0.97 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 1y1u h LYS 681 CO -0.00 0.60 0.00 0.66 -2.27 0.00 0.00 179.45 178.44 1y1u n TYR 682 N -4.65 0.12 -2.19 1.91 4.01 0.27 -4.96 117.16 111.68 1y1u n TYR 682 Ca 0.15 -0.07 -0.36 0.00 -0.16 0.00 0.00 57.90 57.45 1y1u n TYR 682 Cb 0.25 -0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.29 1y1u n TYR 682 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1y1u s TYR 683 N -1.58 2.64 -0.12 -0.72 4.12 -1.10 -4.59 117.35 115.99 1y1u s TYR 683 Ca 0.26 1.53 -0.19 0.00 0.02 0.00 0.00 57.07 58.69 1y1u s TYR 683 Cb 0.18 -3.37 -0.04 0.00 -1.52 0.00 0.00 41.96 37.20 1y1u s TYR 683 CO 0.26 -1.75 0.51 -0.08 0.02 0.00 0.00 175.55 174.51 1y1u s THR 684 N -1.66 5.16 0.00 -0.71 -1.32 -1.26 -5.04 115.64 110.80 1y1u s THR 684 Ca 0.72 1.03 0.00 0.00 -1.21 0.00 0.00 61.69 62.22 1y1u s THR 684 Cb -0.27 -3.85 0.00 0.00 -1.51 0.00 0.00 72.50 66.87 1y1u s THR 684 CO 0.31 0.30 0.00 -0.81 -2.21 0.00 0.00 174.62 172.21 1y1u n PRO 685 N 3.78 1.09 0.00 7.08 -0.04 -1.26 -5.12 135.00 140.53 1y1u n PRO 685 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 1y1u n PRO 685 Cb 0.51 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.97 1y1u n PRO 685 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1y1u n VAL 686 N -0.66 0.00 -1.51 0.52 0.31 -1.26 -4.94 118.33 110.79 1y1u n VAL 686 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 64.00 1y1u n VAL 686 Cb 0.00 0.00 0.04 0.00 -0.91 0.00 0.00 33.84 32.97 1y1u n VAL 686 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1y1u n LEU 687 N 0.00 7.27 0.00 7.52 4.77 -1.26 -5.00 117.00 130.30 1y1u n LEU 687 Ca 0.00 -4.32 0.00 0.00 -0.03 0.00 0.00 56.01 51.66 1y1u n LEU 687 Cb 0.00 -1.07 0.00 0.00 -2.33 0.00 0.00 43.42 40.02 1y1u n LEU 687 CO 0.00 1.59 0.00 0.00 -1.33 0.00 0.00 177.39 177.65 1y1u n ALA 688 N -0.31 0.00 -2.96 -1.18 0.00 -1.26 -5.13 120.51 109.67 1y1u n ALA 688 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.97 1y1u n ALA 688 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 1y1u n ALA 688 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1y1u n LYS 689 N -0.29 3.93 0.00 0.00 5.02 -1.26 -5.24 118.16 120.32 1y1u n LYS 689 Ca 0.00 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.42 1y1u n LYS 689 Cb 0.00 0.00 0.27 0.00 -0.02 0.00 0.00 35.03 35.28 1y1u n LYS 689 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88