#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i4i s VAL 168 N 0.00 3.58 -0.06 1.12 1.01 -1.26 -0.27 120.40 124.52 2i4i s VAL 168 Ca 0.00 -0.50 0.06 0.00 0.00 0.00 0.00 61.98 61.54 2i4i s VAL 168 Cb 0.00 -2.50 -0.01 0.00 0.00 0.00 0.00 36.38 33.87 2i4i s VAL 168 CO 0.00 0.55 -0.24 -1.61 0.00 0.00 0.00 175.10 173.80 2i4i s GLU 169 N -0.20 2.44 -0.04 2.72 2.02 -0.68 -5.00 118.70 119.95 2i4i s GLU 169 Ca 0.02 -0.85 0.06 0.00 0.02 0.00 0.00 54.97 54.22 2i4i s GLU 169 Cb -0.13 -2.06 -0.01 0.00 0.10 0.00 0.00 34.13 32.03 2i4i s GLU 169 CO 0.03 0.34 -0.21 0.00 0.02 0.00 0.00 175.26 175.44 2i4i s ALA 170 N -0.09 1.84 -0.02 5.21 0.00 -1.26 -1.12 121.76 126.31 2i4i s ALA 170 Ca -0.05 -0.89 -0.00 0.00 0.00 0.00 0.00 51.96 51.02 2i4i s ALA 170 Cb -0.14 -0.56 0.03 0.00 0.00 0.00 0.00 23.12 22.46 2i4i s ALA 170 CO 0.04 0.37 0.04 0.99 0.00 0.00 0.00 175.76 177.20 2i4i s THR 171 N -0.17 -0.06 0.00 0.00 2.01 0.29 -4.97 115.64 112.74 2i4i s THR 171 Ca -0.01 0.21 0.00 0.00 0.31 0.00 0.00 61.69 62.20 2i4i s THR 171 Cb -0.12 -0.10 0.00 0.00 0.01 0.00 0.00 72.50 72.30 2i4i s THR 171 CO 0.02 0.09 0.00 0.61 -0.69 0.00 0.00 174.62 174.65 2i4i n GLY 172 N 4.15 -0.40 3.72 4.40 0.00 -1.26 -0.79 105.19 115.01 2i4i n GLY 172 Ca -0.27 -1.18 -0.42 0.00 0.00 0.00 0.00 46.02 44.15 2i4i n GLY 172 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2i4i s ASN 173 N 0.00 6.97 -1.26 1.61 3.04 -1.26 -3.85 114.94 120.19 2i4i s ASN 173 Ca 0.00 2.23 -0.16 0.00 0.04 0.00 0.00 52.86 54.98 2i4i s ASN 173 Cb 0.00 -2.59 0.00 0.00 -1.54 0.00 0.00 41.25 37.12 2i4i s ASN 173 CO 0.00 -0.51 0.62 0.59 -3.04 0.00 0.00 177.10 174.76 2i4i n ASN 174 N 3.32 -3.22 -4.68 -4.21 3.02 -1.26 -4.88 115.26 103.36 2i4i n ASN 174 Ca 0.08 -1.07 -0.42 0.00 -0.03 0.00 0.00 54.58 53.13 2i4i n ASN 174 Cb 0.44 -2.91 -0.03 0.00 -0.61 0.00 0.00 39.78 36.67 2i4i n ASN 174 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2i4i s PRO 176 N 2.68 4.11 0.71 0.00 0.04 -1.26 -4.96 135.00 136.31 2i4i s PRO 176 Ca 0.59 2.58 -0.14 0.00 0.04 0.00 0.00 61.00 64.07 2i4i s PRO 176 Cb -0.27 -2.99 0.03 0.00 0.04 0.00 0.00 34.50 31.32 2i4i s PRO 176 CO 0.22 -0.58 1.15 -1.25 0.04 0.00 0.00 177.00 176.58 2i4i s PRO 177 N -1.46 2.37 0.93 0.56 0.04 -1.26 -4.78 135.00 131.40 2i4i s PRO 177 Ca 0.57 1.55 -0.12 0.00 0.04 0.00 0.00 61.00 63.04 2i4i s PRO 177 Cb -0.47 -1.88 0.15 0.00 0.04 0.00 0.00 34.50 32.33 2i4i s PRO 177 CO 0.57 -1.61 1.09 -3.38 0.04 0.00 0.00 177.00 173.72 2i4i s HIS 178 N -2.24 2.26 0.34 0.56 -3.43 -1.26 -4.81 115.29 106.71 2i4i s HIS 178 Ca 0.70 1.18 0.08 0.00 -0.80 0.00 0.00 55.06 56.22 2i4i s HIS 178 Cb -0.24 -3.19 -0.04 0.00 -1.43 0.00 0.00 32.58 27.68 2i4i s HIS 178 CO 0.45 -2.54 0.18 0.96 -2.00 0.00 0.00 174.74 171.80 2i4i s ILE 179 N -2.94 3.14 -0.18 -5.38 -4.36 -0.31 -5.02 121.20 106.16 2i4i s ILE 179 Ca 0.64 -1.61 0.06 0.00 -0.26 0.00 0.00 60.65 59.48 2i4i s ILE 179 Cb -0.18 -3.03 -0.15 0.00 1.25 0.00 0.00 42.46 40.35 2i4i s ILE 179 CO 0.57 -0.18 -0.09 -0.62 0.24 0.00 0.00 174.94 174.87 2i4i n GLU 180 N -1.21 0.88 -4.20 0.37 -0.58 -1.26 -4.67 120.64 109.96 2i4i n GLU 180 Ca -0.03 0.07 -0.13 0.00 -0.42 0.00 0.00 57.16 56.65 2i4i n GLU 180 Cb 0.61 -1.38 -0.10 0.00 -0.57 0.00 0.00 31.44 29.99 2i4i n GLU 180 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2i4i s SER 181 N -5.48 1.45 0.51 1.62 1.04 -1.26 -4.42 113.70 107.16 2i4i s SER 181 Ca -0.19 -0.98 0.22 0.00 0.48 0.00 0.00 55.95 55.48 2i4i s SER 181 Cb 0.06 0.04 1.30 0.00 0.10 0.00 0.00 66.02 67.52 2i4i s SER 181 CO 0.51 -0.38 2.00 -0.26 0.98 0.00 0.00 173.24 176.09 2i4i h PHE 182 N 2.97 0.11 0.00 5.02 0.04 -1.93 -1.11 116.94 122.04 2i4i h PHE 182 Ca -0.36 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.41 2i4i h PHE 182 Cb 1.18 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 39.29 2i4i h PHE 182 CO 0.62 0.05 0.00 -1.13 -0.60 0.00 0.00 178.31 177.25 2i4i n SER 183 N -4.42 0.35 0.28 2.17 3.41 -1.26 -3.27 113.62 110.87 2i4i n SER 183 Ca 0.09 0.55 0.12 0.00 -0.26 0.00 0.00 58.87 59.37 2i4i n SER 183 Cb 0.52 -0.64 0.79 0.00 -0.26 0.00 0.00 64.21 64.62 2i4i n SER 183 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2i4i h ASP 184 N 0.00 0.00 -2.46 4.04 3.32 -1.62 -3.41 116.42 116.30 2i4i h ASP 184 Ca 0.00 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.48 2i4i h ASP 184 Cb 0.49 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 39.94 2i4i h ASP 184 CO 0.00 0.04 -0.65 0.68 -1.72 0.00 0.00 179.24 177.59 2i4i s VAL 185 N -4.66 3.55 -0.54 -1.35 -7.23 -1.20 -5.07 120.40 103.89 2i4i s VAL 185 Ca -0.05 -1.73 -0.16 0.00 -1.81 0.00 0.00 61.98 58.23 2i4i s VAL 185 Cb 0.15 -2.86 0.13 0.00 0.56 0.00 0.00 36.38 34.36 2i4i s VAL 185 CO 0.59 -0.28 0.51 -1.61 -0.31 0.00 0.00 175.10 174.00 2i4i s GLU 186 N -3.41 2.99 0.03 4.82 2.02 -1.26 -4.83 118.70 119.06 2i4i s GLU 186 Ca 0.30 -1.68 0.23 0.00 0.02 0.00 0.00 54.97 53.83 2i4i s GLU 186 Cb -0.07 -4.30 0.10 0.00 0.10 0.00 0.00 34.13 29.96 2i4i s GLU 186 CO 0.19 -1.33 1.09 -1.33 0.02 0.00 0.00 175.26 173.90 2i4i n MET 187 N 5.30 0.16 0.00 1.61 2.81 -1.26 -5.05 117.12 120.68 2i4i n MET 187 Ca -0.14 -0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.75 2i4i n MET 187 Cb 0.40 -1.55 0.00 0.00 -0.71 0.00 0.00 33.22 31.36 2i4i n MET 187 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2i4i n GLY 188 N 1.43 -0.27 0.22 3.03 0.00 -1.26 -4.47 105.19 103.86 2i4i n GLY 188 Ca 0.03 -1.73 -0.05 0.00 0.00 0.00 0.00 46.02 44.27 2i4i n GLY 188 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2i4i h GLU 189 N 0.00 0.48 0.24 1.61 5.08 -1.98 -1.62 114.58 118.39 2i4i h GLU 189 Ca 0.00 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.13 2i4i h GLU 189 Cb 0.00 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2i4i h GLU 189 CO 0.00 0.78 -0.11 0.82 -1.00 0.00 0.00 179.01 179.49 2i4i h ILE 190 N 0.40 0.83 -0.07 3.13 2.04 -1.96 -0.89 117.51 120.98 2i4i h ILE 190 Ca 0.04 -0.59 0.03 0.00 1.00 0.00 0.00 64.86 65.34 2i4i h ILE 190 Cb 0.83 1.16 -0.03 0.00 -0.74 0.00 0.00 36.82 38.03 2i4i h ILE 190 CO 0.07 0.13 -0.11 0.40 0.00 0.00 0.00 178.15 178.63 2i4i h ILE 191 N -0.63 0.70 -0.78 -0.67 1.08 -1.77 -0.55 117.51 114.89 2i4i h ILE 191 Ca -0.03 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.43 2i4i h ILE 191 Cb 0.45 0.70 -0.04 0.00 -3.07 0.00 0.00 36.82 34.87 2i4i h ILE 191 CO 0.05 0.00 0.46 0.24 -0.69 0.00 0.00 178.15 178.22 2i4i h MET 192 N -0.15 1.07 -0.71 2.37 2.86 -1.31 0.67 114.93 119.73 2i4i h MET 192 Ca 0.07 -0.10 -0.07 0.00 -2.06 0.00 0.00 59.70 57.53 2i4i h MET 192 Cb 0.24 -0.22 -0.03 0.00 0.06 0.00 0.00 31.60 31.65 2i4i h MET 192 CO -0.16 0.76 0.17 0.78 1.06 0.00 0.00 176.91 179.52 2i4i h GLY 193 N 1.07 1.22 1.64 8.32 0.00 -1.05 -2.53 103.07 111.75 2i4i h GLY 193 Ca 0.28 -0.77 -0.09 0.00 0.00 0.00 0.00 47.33 46.75 2i4i h GLY 193 CO -0.05 0.72 -0.24 3.43 0.00 0.00 0.00 176.54 180.39 2i4i h ASN 194 N 1.08 0.42 -0.40 0.19 2.35 -0.53 -2.23 115.58 116.46 2i4i h ASN 194 Ca 0.22 -0.14 -0.08 0.00 -0.55 0.00 0.00 56.30 55.76 2i4i h ASN 194 Cb 0.38 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.61 2i4i h ASN 194 CO 0.00 0.67 -0.02 0.40 -1.65 0.00 0.00 177.43 176.83 2i4i h ILE 195 N 0.38 1.25 -0.27 2.81 2.04 -0.76 0.40 117.51 123.36 2i4i h ILE 195 Ca 0.06 -1.04 -0.12 0.00 1.00 0.00 0.00 64.86 64.76 2i4i h ILE 195 Cb 0.63 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 2i4i h ILE 195 CO 0.05 0.37 -0.32 -0.33 0.00 0.00 0.00 178.15 177.91 2i4i h GLU 196 N 0.74 0.57 -0.38 2.37 4.39 -1.19 -1.15 114.58 119.93 2i4i h GLU 196 Ca 0.14 -0.25 -0.08 0.00 0.34 0.00 0.00 59.36 59.51 2i4i h GLU 196 Cb 0.48 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.10 2i4i h GLU 196 CO 0.02 0.82 -0.08 -0.07 -1.16 0.00 0.00 179.01 178.55 2i4i h LEU 197 N 0.48 0.62 -0.81 1.33 3.38 -0.95 -2.74 115.31 116.62 2i4i h LEU 197 Ca 0.06 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 2i4i h LEU 197 Cb 0.80 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 2i4i h LEU 197 CO 0.07 0.74 -0.05 0.74 0.09 0.00 0.00 178.44 180.03 2i4i h THR 198 N 0.60 0.11 -3.00 0.22 2.02 -0.69 -3.47 112.91 108.69 2i4i h THR 198 Ca 0.11 -0.85 -0.29 0.00 0.77 0.00 0.00 66.41 66.16 2i4i h THR 198 Cb 0.49 1.77 0.03 0.00 -1.74 0.00 0.00 68.15 68.70 2i4i h THR 198 CO 0.03 0.05 -0.42 0.54 0.37 0.00 0.00 175.52 176.09 2i4i n ARG 199 N -3.14 -2.91 -2.75 6.66 1.74 -0.45 -5.02 116.66 110.79 2i4i n ARG 199 Ca 0.02 0.66 -0.42 0.00 -0.77 0.00 0.00 57.85 57.35 2i4i n ARG 199 Cb 0.42 -4.98 -0.03 0.00 -1.02 0.00 0.00 32.46 26.85 2i4i n ARG 199 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2i4i s TYR 200 N -2.93 3.65 -0.23 -1.55 2.02 -1.15 -4.96 117.35 112.21 2i4i s TYR 200 Ca 0.16 1.64 0.08 0.00 -0.37 0.00 0.00 57.07 58.59 2i4i s TYR 200 Cb -0.07 -3.08 -0.20 0.00 -0.40 0.00 0.00 41.96 38.21 2i4i s TYR 200 CO 0.20 0.01 -0.11 0.25 -1.57 0.00 0.00 175.55 174.34 2i4i n THR 201 N 3.85 1.42 -3.86 -0.71 -2.24 -1.26 -4.72 114.28 106.75 2i4i n THR 201 Ca 0.05 -0.67 -0.11 0.00 -2.27 0.00 0.00 64.05 61.05 2i4i n THR 201 Cb 0.51 -1.02 -0.09 0.00 -2.10 0.00 0.00 70.33 67.63 2i4i n THR 201 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2i4i s ARG 202 N -2.50 0.55 0.28 -0.78 1.70 -1.26 -4.83 118.95 112.12 2i4i s ARG 202 Ca -0.24 -0.46 -0.29 0.00 -0.47 0.00 0.00 55.73 54.27 2i4i s ARG 202 Cb 0.08 0.23 -0.10 0.00 -0.57 0.00 0.00 34.95 34.59 2i4i s ARG 202 CO 0.68 -0.14 1.34 -1.25 -1.08 0.00 0.00 175.30 174.85 2i4i s PRO 203 N -1.72 4.34 0.94 3.89 0.04 -1.26 -5.01 135.00 136.23 2i4i s PRO 203 Ca -0.12 2.21 -0.11 0.00 0.04 0.00 0.00 61.00 63.02 2i4i s PRO 203 Cb -0.06 -3.11 0.16 0.00 0.04 0.00 0.00 34.50 31.53 2i4i s PRO 203 CO 0.00 -0.26 1.09 0.95 0.04 0.00 0.00 177.00 178.82 2i4i s THR 204 N -0.57 2.45 0.23 1.26 -4.23 -1.26 -4.64 115.64 108.88 2i4i s THR 204 Ca 0.53 0.15 -0.10 0.00 -1.18 0.00 0.00 61.69 61.10 2i4i s THR 204 Cb -0.40 -2.42 0.25 0.00 1.34 0.00 0.00 72.50 71.26 2i4i s THR 204 CO 0.47 -0.19 1.64 -0.65 -0.54 0.00 0.00 174.62 175.35 2i4i h PRO 205 N -1.80 0.08 -0.37 3.99 0.11 -1.95 0.21 132.00 132.28 2i4i h PRO 205 Ca -0.50 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 2i4i h PRO 205 Cb 1.28 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.36 2i4i h PRO 205 CO 0.50 0.05 0.06 -0.24 -0.21 0.00 0.00 178.00 178.17 2i4i h VAL 206 N 0.09 1.18 -0.31 3.15 3.04 -1.92 -2.45 116.25 119.03 2i4i h VAL 206 Ca 0.36 -0.67 -0.13 0.00 -1.01 0.00 0.00 66.70 65.25 2i4i h VAL 206 Cb 0.61 0.84 -0.01 0.00 -2.01 0.00 0.00 31.29 30.71 2i4i h VAL 206 CO -0.62 0.24 -0.34 1.56 -1.01 0.00 0.00 177.57 177.39 2i4i h GLN 207 N 0.53 0.68 -0.36 4.17 4.20 -1.27 0.12 115.11 123.18 2i4i h GLN 207 Ca 0.12 -0.32 0.04 0.00 0.06 0.00 0.00 58.65 58.55 2i4i h GLN 207 Cb 0.25 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 2i4i h GLN 207 CO 0.00 0.92 0.24 0.87 -0.67 0.00 0.00 178.83 180.19 2i4i h LYS 208 N 0.57 0.31 0.02 1.46 1.57 -0.18 -1.56 116.57 118.76 2i4i h LYS 208 Ca 0.06 -0.02 -0.34 0.00 -1.87 0.00 0.00 60.65 58.48 2i4i h LYS 208 Cb 0.85 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 33.05 2i4i h LYS 208 CO 0.07 0.21 -1.87 0.72 -0.57 0.00 0.00 179.45 178.01 2i4i n HIS 209 N -4.48 0.67 0.09 -1.35 8.25 -1.14 -1.16 115.22 116.09 2i4i n HIS 209 Ca 0.04 0.24 -0.06 0.00 -0.26 0.00 0.00 57.72 57.68 2i4i n HIS 209 Cb 0.19 -1.07 0.09 0.00 1.12 0.00 0.00 29.99 30.32 2i4i n HIS 209 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2i4i h ALA 210 N -0.51 0.78 0.21 -1.41 0.00 -0.66 -3.02 119.26 114.65 2i4i h ALA 210 Ca -0.49 -0.59 -0.01 0.00 0.00 0.00 0.00 54.91 53.82 2i4i h ALA 210 Cb 1.57 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.28 2i4i h ALA 210 CO -0.22 0.77 -0.10 0.82 0.00 0.00 0.00 179.25 180.53 2i4i h ILE 211 N 0.16 0.83 -0.21 0.00 2.04 -1.46 -1.54 117.51 117.32 2i4i h ILE 211 Ca -0.01 -0.20 -0.04 0.00 1.00 0.00 0.00 64.86 65.60 2i4i h ILE 211 Cb 1.20 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 38.22 2i4i h ILE 211 CO 0.10 0.05 -0.06 1.55 0.00 0.00 0.00 178.15 179.79 2i4i h PRO 212 N -0.38 0.33 0.05 2.37 0.13 -1.79 -0.30 132.00 132.40 2i4i h PRO 212 Ca -0.03 -0.07 0.01 0.00 -0.87 0.00 0.00 66.00 65.04 2i4i h PRO 212 Cb 0.29 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.36 2i4i h PRO 212 CO 0.05 0.40 -0.06 0.82 -0.23 0.00 0.00 178.00 178.98 2i4i h ILE 213 N 0.32 0.85 -0.46 -3.56 2.04 -1.42 -0.65 117.51 114.63 2i4i h ILE 213 Ca 0.07 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.81 2i4i h ILE 213 Cb 0.31 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 2i4i h ILE 213 CO 0.01 0.00 -0.17 0.40 0.00 0.00 0.00 178.15 178.39 2i4i h ILE 214 N -0.13 1.27 -0.56 -0.67 2.04 -1.13 -2.23 117.51 116.10 2i4i h ILE 214 Ca 0.01 -1.31 0.01 0.00 1.00 0.00 0.00 64.86 64.57 2i4i h ILE 214 Cb 0.14 1.16 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 2i4i h ILE 214 CO -0.03 0.45 0.37 0.50 0.00 0.00 0.00 178.15 179.44 2i4i h LYS 215 N 0.76 0.70 -0.03 2.37 1.63 -1.01 0.22 116.57 121.21 2i4i h LYS 215 Ca 0.11 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.87 2i4i h LYS 215 Cb 0.73 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 32.21 2i4i h LYS 215 CO 0.06 0.46 0.00 0.39 -3.45 0.00 0.00 179.45 176.91 2i4i n GLU 216 N -4.46 1.08 -2.72 1.90 -0.58 -0.26 -4.90 120.64 110.70 2i4i n GLU 216 Ca 0.06 -0.12 -0.15 0.00 -0.42 0.00 0.00 57.16 56.53 2i4i n GLU 216 Cb 0.08 -1.08 0.02 0.00 -0.57 0.00 0.00 31.44 29.89 2i4i n GLU 216 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2i4i n LYS 217 N -0.46 -3.10 -4.12 3.49 5.02 0.07 -5.01 118.16 114.04 2i4i n LYS 217 Ca 0.04 0.63 -0.36 0.00 -2.02 0.00 0.00 58.31 56.60 2i4i n LYS 217 Cb 0.04 -4.90 -0.08 0.00 -0.02 0.00 0.00 35.03 30.07 2i4i n LYS 217 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2i4i s ARG 218 N -5.25 3.21 0.59 1.97 1.81 -0.86 -5.01 118.95 115.41 2i4i s ARG 218 Ca 0.18 -0.28 -0.18 0.00 -1.72 0.00 0.00 55.73 53.74 2i4i s ARG 218 Cb -0.08 -2.99 -0.03 0.00 -0.45 0.00 0.00 34.95 31.40 2i4i s ARG 218 CO 0.23 0.74 1.12 -0.51 -0.68 0.00 0.00 175.30 176.20 2i4i s ASP 219 N -1.02 5.46 -0.02 0.23 1.11 -1.26 -4.40 116.67 116.77 2i4i s ASP 219 Ca 0.15 2.11 -0.00 0.00 0.18 0.00 0.00 52.55 54.99 2i4i s ASP 219 Cb -0.12 -2.57 0.03 0.00 1.07 0.00 0.00 42.92 41.33 2i4i s ASP 219 CO 0.04 -1.40 0.03 -0.22 1.18 0.00 0.00 175.17 174.80 2i4i s LEU 220 N -4.24 0.97 -0.36 1.23 2.96 -0.96 -1.22 118.68 117.07 2i4i s LEU 220 Ca 0.71 0.03 -0.06 0.00 -0.22 0.00 0.00 54.13 54.58 2i4i s LEU 220 Cb -0.23 -0.11 0.05 0.00 0.50 0.00 0.00 46.19 46.41 2i4i s LEU 220 CO 0.33 -0.14 0.14 -0.32 -1.32 0.00 0.00 176.35 175.04 2i4i s MET 221 N 1.21 2.55 -0.21 1.98 -2.45 -0.01 -1.09 119.30 121.29 2i4i s MET 221 Ca -0.07 -1.30 -0.02 0.00 -1.25 0.00 0.00 55.69 53.05 2i4i s MET 221 Cb -0.13 -3.52 0.01 0.00 1.25 0.00 0.00 34.83 32.43 2i4i s MET 221 CO -0.03 -0.76 -0.10 0.00 1.05 0.00 0.00 175.02 175.18 2i4i s ALA 222 N 1.38 2.62 -0.51 4.11 0.00 0.51 -0.64 121.76 129.24 2i4i s ALA 222 Ca -0.00 -1.25 -0.21 0.00 0.00 0.00 0.00 51.96 50.50 2i4i s ALA 222 Cb -0.21 -1.52 0.05 0.00 0.00 0.00 0.00 23.12 21.44 2i4i s ALA 222 CO 0.02 -0.48 0.73 0.00 0.00 0.00 0.00 175.76 176.03 2i4i s ALA 224 N 3.10 -1.82 0.49 0.00 0.00 -0.74 -1.59 121.76 121.20 2i4i s ALA 224 Ca 0.22 1.54 0.02 0.00 0.00 0.00 0.00 51.96 53.74 2i4i s ALA 224 Cb -0.16 -0.46 -0.02 0.00 0.00 0.00 0.00 23.12 22.48 2i4i s ALA 224 CO 0.16 -0.34 0.01 1.14 0.00 0.00 0.00 175.76 176.73 2i4i s GLN 225 N -0.81 2.15 0.41 0.00 -2.07 -1.26 -2.80 119.66 115.29 2i4i s GLN 225 Ca -0.06 -2.34 -0.26 0.00 -1.82 0.00 0.00 55.36 50.88 2i4i s GLN 225 Cb -0.01 -1.56 -0.10 0.00 -1.09 0.00 0.00 33.01 30.24 2i4i s GLN 225 CO 0.05 -0.31 1.27 2.41 -1.32 0.00 0.00 175.29 177.40 2i4i n THR 226 N -1.22 2.49 0.00 3.63 -1.04 -1.26 -1.94 114.28 114.94 2i4i n THR 226 Ca -0.16 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.35 2i4i n THR 226 Cb 0.67 -1.57 0.00 0.00 -1.82 0.00 0.00 70.33 67.61 2i4i n THR 226 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2i4i n GLY 227 N 0.81 2.47 0.19 3.41 0.00 -1.26 -4.93 105.19 105.88 2i4i n GLY 227 Ca 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.08 2i4i n GLY 227 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2i4i h SER 228 N 0.00 0.17 0.00 1.61 0.87 -1.81 -3.47 113.55 110.92 2i4i h SER 228 Ca 0.00 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 2i4i h SER 228 Cb 0.00 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 61.91 2i4i h SER 228 CO 0.00 0.56 0.00 0.61 -0.53 0.00 0.00 176.83 177.47 2i4i n GLY 229 N -0.26 0.53 0.25 5.77 0.00 -1.26 -4.47 105.19 105.75 2i4i n GLY 229 Ca -0.01 -0.86 0.10 0.00 0.00 0.00 0.00 46.02 45.25 2i4i n GLY 229 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2i4i h LYS 230 N 0.00 0.00 0.19 1.61 2.10 -1.92 -2.45 116.57 116.10 2i4i h LYS 230 Ca 0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 2i4i h LYS 230 Cb 0.34 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.67 2i4i h LYS 230 CO 0.00 0.13 -0.09 1.15 -2.00 0.00 0.00 179.45 178.64 2i4i h THR 231 N 0.00 0.89 0.00 0.07 2.02 -1.96 -2.61 112.91 111.32 2i4i h THR 231 Ca -0.00 -0.37 -0.07 0.00 0.77 0.00 0.00 66.41 66.74 2i4i h THR 231 Cb 0.28 1.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 2i4i h THR 231 CO 0.02 0.09 -0.33 0.00 0.37 0.00 0.00 175.52 175.66 2i4i h ALA 232 N 0.35 1.21 -0.93 6.16 0.00 -1.97 -1.22 119.26 122.85 2i4i h ALA 232 Ca -0.03 -0.30 0.09 0.00 0.00 0.00 0.00 54.91 54.67 2i4i h ALA 232 Cb 0.33 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.00 2i4i h ALA 232 CO 0.04 0.41 0.60 0.00 0.00 0.00 0.00 179.25 180.31 2i4i h ALA 233 N 1.67 1.56 0.12 0.00 0.00 -1.19 -1.69 119.26 119.73 2i4i h ALA 233 Ca -0.00 -0.01 -0.35 0.00 0.00 0.00 0.00 54.91 54.54 2i4i h ALA 233 Cb 0.69 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2i4i h ALA 233 CO 0.04 0.27 -1.92 0.27 0.00 0.00 0.00 179.25 177.91 2i4i h PHE 234 N 0.98 0.47 -0.53 0.00 -5.15 -1.31 -3.38 116.94 108.02 2i4i h PHE 234 Ca 0.43 -0.35 -0.10 0.00 -0.20 0.00 0.00 57.97 57.75 2i4i h PHE 234 Cb 0.34 -0.02 -0.02 0.00 0.22 0.00 0.00 35.95 36.47 2i4i h PHE 234 CO -0.00 1.69 -0.06 -0.07 -2.00 0.00 0.00 178.31 177.86 2i4i h LEU 235 N 0.07 0.95 0.53 2.10 3.38 -1.14 -2.68 115.31 118.51 2i4i h LEU 235 Ca -0.39 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.27 2i4i h LEU 235 Cb 2.04 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 42.54 2i4i h LEU 235 CO 0.10 1.04 -0.25 -0.07 0.09 0.00 0.00 178.44 179.35 2i4i h LEU 236 N 0.87 -0.60 -0.88 1.67 3.38 -1.55 -0.05 115.31 118.15 2i4i h LEU 236 Ca 0.15 -0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.96 2i4i h LEU 236 Cb 0.60 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 2i4i h LEU 236 CO 0.04 -0.32 -0.49 1.55 0.09 0.00 0.00 178.44 179.31 2i4i h PRO 237 N -0.87 0.17 0.22 1.13 0.13 -1.78 -1.44 132.00 129.57 2i4i h PRO 237 Ca -0.07 -0.09 -0.01 0.00 -0.87 0.00 0.00 66.00 64.95 2i4i h PRO 237 Cb 0.60 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.74 2i4i h PRO 237 CO 0.12 0.62 -0.11 0.82 -0.23 0.00 0.00 178.00 179.23 2i4i h ILE 238 N 0.14 0.84 -0.75 -3.56 2.04 -1.39 -1.57 117.51 113.27 2i4i h ILE 238 Ca 0.01 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.48 2i4i h ILE 238 Cb 0.91 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 38.02 2i4i h ILE 238 CO 0.07 0.09 0.48 -0.07 0.00 0.00 0.00 178.15 178.72 2i4i h LEU 239 N -0.50 0.87 -0.48 1.44 3.38 -1.00 -0.77 115.31 118.25 2i4i h LEU 239 Ca -0.03 -0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.00 2i4i h LEU 239 Cb 0.37 -0.22 -0.08 0.00 0.09 0.00 0.00 40.66 40.82 2i4i h LEU 239 CO 0.05 0.64 -0.02 -1.28 0.09 0.00 0.00 178.44 177.92 2i4i h SER 240 N 1.01 -0.25 -0.37 -0.43 0.87 -1.21 0.88 113.55 114.05 2i4i h SER 240 Ca 0.27 0.12 -0.02 0.00 -1.23 0.00 0.00 61.79 60.94 2i4i h SER 240 Cb -0.09 0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.07 2i4i h SER 240 CO -0.06 -0.09 0.16 1.56 -0.53 0.00 0.00 176.83 177.88 2i4i h GLN 241 N 0.09 0.55 -0.92 2.24 1.08 -0.92 0.09 115.11 117.32 2i4i h GLN 241 Ca 0.24 -0.09 0.07 0.00 -1.45 0.00 0.00 58.65 57.42 2i4i h GLN 241 Cb 0.37 -0.09 -0.07 0.00 -0.05 0.00 0.00 27.48 27.64 2i4i h GLN 241 CO -0.42 0.51 0.58 0.82 -0.95 0.00 0.00 178.83 179.36 2i4i h ILE 242 N 0.46 1.04 -0.27 2.54 2.04 -0.27 0.27 117.51 123.31 2i4i h ILE 242 Ca 0.13 -0.35 -0.16 0.00 1.00 0.00 0.00 64.86 65.47 2i4i h ILE 242 Cb 0.15 -0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 36.15 2i4i h ILE 242 CO -0.01 0.19 -0.46 1.88 0.00 0.00 0.00 178.15 179.75 2i4i h TYR 243 N 1.03 0.98 -0.18 1.37 0.05 -0.53 -0.03 116.97 119.65 2i4i h TYR 243 Ca 0.41 -0.34 -0.04 0.00 0.05 0.00 0.00 58.73 58.81 2i4i h TYR 243 Cb 0.21 -0.19 -0.01 0.00 1.01 0.00 0.00 36.73 37.76 2i4i h TYR 243 CO -0.02 1.14 -0.05 1.03 -1.05 0.00 0.00 178.16 179.21 2i4i h SER 244 N 0.53 0.35 -0.72 3.88 0.87 -0.54 -3.40 113.55 114.52 2i4i h SER 244 Ca 0.02 -0.38 -0.32 0.00 -1.23 0.00 0.00 61.79 59.88 2i4i h SER 244 Cb 1.06 -0.09 -0.25 0.00 -0.44 0.00 0.00 62.40 62.67 2i4i h SER 244 CO 0.10 0.64 -0.74 -0.90 -0.53 0.00 0.00 176.83 175.41 2i4i n ASP 245 N -4.65 -0.94 -4.91 6.23 3.85 0.91 -5.08 116.55 111.96 2i4i n ASP 245 Ca -0.05 -3.22 -0.28 0.00 -0.71 0.00 0.00 54.79 50.53 2i4i n ASP 245 Cb 0.28 0.78 0.03 0.00 -1.35 0.00 0.00 41.12 40.86 2i4i n ASP 245 CO 0.00 0.00 0.00 -0.83 -1.01 0.00 0.00 177.20 175.36 2i4i s GLY 246 N -1.80 1.61 0.49 6.12 0.00 -0.03 -4.76 107.32 108.95 2i4i s GLY 246 Ca 0.28 -0.58 -0.20 0.00 0.00 0.00 0.00 44.72 44.22 2i4i s GLY 246 CO -0.06 -0.29 0.41 -1.55 0.00 0.00 0.00 173.10 171.61 2i4i n PRO 247 N -2.66 0.43 -2.10 2.90 -0.04 -1.26 -4.88 135.00 127.38 2i4i n PRO 247 Ca 0.05 0.16 -0.42 0.00 -0.04 0.00 0.00 63.50 63.25 2i4i n PRO 247 Cb 0.57 -1.48 -0.03 0.00 -0.04 0.00 0.00 33.50 32.52 2i4i n PRO 247 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2i4i s GLY 248 N -1.05 1.73 0.04 0.55 0.00 -1.26 -4.95 107.32 102.38 2i4i s GLY 248 Ca 0.64 1.01 -0.08 0.00 0.00 0.00 0.00 44.72 46.30 2i4i s GLY 248 CO 0.58 2.67 1.13 -2.09 0.00 0.00 0.00 173.10 175.39 2i4i h GLU 249 N 8.03 -0.04 -0.62 2.90 4.22 -1.99 -2.14 114.58 124.93 2i4i h GLU 249 Ca -0.40 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.04 2i4i h GLU 249 Cb 1.19 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.42 2i4i h GLU 249 CO 0.91 -0.03 0.36 0.00 -2.18 0.00 0.00 179.01 178.08 2i4i h ALA 250 N -0.80 0.80 -0.75 2.92 0.00 -1.99 -1.62 119.26 117.80 2i4i h ALA 250 Ca 0.03 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.88 2i4i h ALA 250 Cb 0.12 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 2i4i h ALA 250 CO -0.19 0.29 0.48 1.25 0.00 0.00 0.00 179.25 181.08 2i4i h LEU 251 N 0.85 0.80 -1.07 0.00 5.85 -1.97 -2.05 115.31 117.72 2i4i h LEU 251 Ca 0.22 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.86 2i4i h LEU 251 Cb 0.00 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 2i4i h LEU 251 CO -0.04 0.56 -0.18 -0.09 -0.34 0.00 0.00 178.44 178.35 2i4i h ARG 252 N 0.95 0.45 -0.17 1.25 9.65 -0.82 -2.13 114.38 123.55 2i4i h ARG 252 Ca 0.30 -0.14 -0.15 0.00 -1.10 0.00 0.00 59.98 58.88 2i4i h ARG 252 Cb -0.01 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.52 2i4i h ARG 252 CO -0.10 0.62 -0.53 0.00 2.80 0.00 0.00 179.97 182.76 2i4i h ALA 253 N 1.40 0.75 -0.82 2.80 0.00 -1.02 -2.04 119.26 120.34 2i4i h ALA 253 Ca 0.07 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 2i4i h ALA 253 Cb 0.56 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 2i4i h ALA 253 CO 0.04 0.68 0.47 1.98 0.00 0.00 0.00 179.25 182.42 2i4i h MET 254 N 0.39 1.13 -0.15 0.00 1.85 -1.02 -2.10 114.93 115.03 2i4i h MET 254 Ca 0.01 -0.12 -0.09 0.00 -0.61 0.00 0.00 59.70 58.89 2i4i h MET 254 Cb 1.06 -0.23 -0.01 0.00 0.43 0.00 0.00 31.60 32.85 2i4i h MET 254 CO 0.10 0.82 -0.29 0.87 -0.40 0.00 0.00 176.91 178.00 2i4i h LYS 255 N 1.13 0.29 -0.01 0.39 1.57 -1.11 -3.30 116.57 115.53 2i4i h LYS 255 Ca 0.29 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 2i4i h LYS 255 Cb 0.00 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.30 2i4i h LYS 255 CO -0.05 0.56 -0.65 0.39 -0.57 0.00 0.00 179.45 179.14 2i4i n GLU 256 N -4.12 0.79 -3.01 3.15 1.02 -0.79 -4.86 120.64 112.82 2i4i n GLU 256 Ca -0.01 -0.65 -0.43 0.00 -0.02 0.00 0.00 57.16 56.04 2i4i n GLU 256 Cb 0.40 -1.49 -0.05 0.00 -0.02 0.00 0.00 31.44 30.28 2i4i n GLU 256 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2i4i s ASN 257 N -2.66 6.24 0.61 1.62 0.01 -0.80 -4.39 114.94 115.57 2i4i s ASN 257 Ca 0.15 -0.85 -0.01 0.00 -0.71 0.00 0.00 52.86 51.44 2i4i s ASN 257 Cb 0.17 -2.35 0.05 0.00 0.41 0.00 0.00 41.25 39.53 2i4i s ASN 257 CO 0.67 -1.11 0.30 0.61 -1.51 0.00 0.00 177.10 176.07 2i4i n GLY 258 N 5.20 0.26 0.43 0.66 0.00 -0.18 -4.87 105.19 106.69 2i4i n GLY 258 Ca -0.04 -1.90 0.24 0.00 0.00 0.00 0.00 46.02 44.32 2i4i n GLY 258 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2i4i h ARG 259 N 0.00 0.30 -0.39 1.61 2.43 -2.03 -1.46 114.38 114.85 2i4i h ARG 259 Ca -0.10 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 2i4i h ARG 259 Cb 0.34 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 2i4i h ARG 259 CO 0.10 0.20 0.00 0.66 -1.51 0.00 0.00 179.97 179.42 2i4i n TYR 260 N -4.51 0.82 -0.24 2.20 4.01 -1.26 -5.09 117.16 113.10 2i4i n TYR 260 Ca 0.24 -0.64 0.00 0.00 -0.16 0.00 0.00 57.90 57.34 2i4i n TYR 260 Cb 0.90 -0.16 0.00 0.00 -0.31 0.00 0.00 39.34 39.78 2i4i n TYR 260 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2i4i n GLY 261 N 0.36 -0.85 3.49 2.72 0.00 -0.55 -4.72 105.19 105.63 2i4i n GLY 261 Ca 0.18 -1.86 -0.44 0.00 0.00 0.00 0.00 46.02 43.90 2i4i n GLY 261 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2i4i s ARG 262 N 0.00 4.07 0.06 1.61 3.52 -1.26 -1.01 118.95 125.94 2i4i s ARG 262 Ca 0.00 -2.46 0.22 0.00 -0.13 0.00 0.00 55.73 53.37 2i4i s ARG 262 Cb 0.00 -5.16 -0.11 0.00 -1.56 0.00 0.00 34.95 28.12 2i4i s ARG 262 CO 0.00 -1.87 0.84 0.54 -0.81 0.00 0.00 175.30 174.00 2i4i n ARG 263 N 6.23 0.49 -5.00 5.12 5.12 -1.26 -4.78 116.66 122.58 2i4i n ARG 263 Ca 0.39 -0.03 -0.32 0.00 -1.93 0.00 0.00 57.85 55.96 2i4i n ARG 263 Cb 0.43 -1.63 -0.15 0.00 -1.16 0.00 0.00 32.46 29.96 2i4i n ARG 263 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 2i4i s LYS 264 N -3.34 2.74 0.13 5.56 2.20 -1.26 -4.72 119.74 121.04 2i4i s LYS 264 Ca -0.01 -0.77 0.02 0.00 -0.36 0.00 0.00 55.97 54.85 2i4i s LYS 264 Cb 0.13 -2.36 -0.04 0.00 -1.51 0.00 0.00 37.83 34.05 2i4i s LYS 264 CO 0.84 0.44 0.24 -0.65 -0.36 0.00 0.00 175.35 175.85 2i4i s GLN 265 N -0.26 3.32 -0.51 4.03 -1.52 -0.22 -4.92 119.66 119.59 2i4i s GLN 265 Ca 0.01 -0.62 0.03 0.00 -1.95 0.00 0.00 55.36 52.84 2i4i s GLN 265 Cb -0.13 -2.92 0.16 0.00 -0.22 0.00 0.00 33.01 29.90 2i4i s GLN 265 CO 0.03 0.53 0.34 0.71 -0.25 0.00 0.00 175.29 176.66 2i4i s TYR 266 N -1.68 2.19 0.28 0.91 2.02 -1.26 -0.12 117.35 119.68 2i4i s TYR 266 Ca 0.34 -2.66 -0.30 0.00 -0.37 0.00 0.00 57.07 54.07 2i4i s TYR 266 Cb -0.11 -1.84 -0.13 0.00 -0.40 0.00 0.00 41.96 39.48 2i4i s TYR 266 CO 0.27 -0.73 1.47 -2.30 -1.57 0.00 0.00 175.55 172.70 2i4i n PRO 267 N 2.88 2.32 0.14 -1.71 -0.02 -1.25 -4.89 135.00 132.48 2i4i n PRO 267 Ca 0.18 0.82 0.01 0.00 -2.02 0.00 0.00 63.50 62.49 2i4i n PRO 267 Cb 0.39 -2.52 0.15 0.00 -0.02 0.00 0.00 33.50 31.50 2i4i n PRO 267 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 2i4i h ILE 268 N 3.10 1.19 -3.50 4.25 2.04 -0.53 -3.23 117.51 120.84 2i4i h ILE 268 Ca -0.46 -2.16 -0.25 0.00 1.00 0.00 0.00 64.86 62.99 2i4i h ILE 268 Cb 1.26 2.24 -0.31 0.00 -0.74 0.00 0.00 36.82 39.27 2i4i h ILE 268 CO 0.75 0.57 -0.67 -0.55 0.00 0.00 0.00 178.15 178.25 2i4i s SER 269 N -6.61 -0.02 -0.11 1.72 0.15 -0.94 0.04 113.70 107.93 2i4i s SER 269 Ca 0.01 0.12 0.03 0.00 0.70 0.00 0.00 55.95 56.81 2i4i s SER 269 Cb 0.11 0.06 0.01 0.00 -1.71 0.00 0.00 66.02 64.48 2i4i s SER 269 CO 0.74 -0.09 -0.21 -0.22 1.20 0.00 0.00 173.24 174.67 2i4i s LEU 270 N 0.66 1.99 -0.25 3.45 2.96 0.11 -1.52 118.68 126.08 2i4i s LEU 270 Ca -0.05 -0.52 -0.04 0.00 -0.22 0.00 0.00 54.13 53.30 2i4i s LEU 270 Cb -0.07 -1.30 0.00 0.00 0.50 0.00 0.00 46.19 45.32 2i4i s LEU 270 CO -0.02 0.10 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.41 2i4i s VAL 271 N 0.58 3.47 -0.06 1.68 1.01 -0.28 -0.62 120.40 126.18 2i4i s VAL 271 Ca -0.14 -0.63 -0.14 0.00 0.00 0.00 0.00 61.98 61.07 2i4i s VAL 271 Cb -0.17 -2.67 -0.05 0.00 0.00 0.00 0.00 36.38 33.49 2i4i s VAL 271 CO 0.04 0.29 0.37 -0.76 0.00 0.00 0.00 175.10 175.04 2i4i s LEU 272 N 1.46 4.39 0.06 3.92 1.43 0.82 -0.57 118.68 130.18 2i4i s LEU 272 Ca 0.04 0.79 0.01 0.00 -1.03 0.00 0.00 54.13 53.95 2i4i s LEU 272 Cb -0.15 -2.51 -0.03 0.00 0.03 0.00 0.00 46.19 43.53 2i4i s LEU 272 CO -0.02 0.23 -0.06 0.00 0.23 0.00 0.00 176.35 176.74 2i4i s ALA 273 N -0.47 0.63 0.27 4.21 0.00 0.07 -0.73 121.76 125.74 2i4i s ALA 273 Ca 0.22 -0.99 0.11 0.00 0.00 0.00 0.00 51.96 51.29 2i4i s ALA 273 Cb -0.15 0.13 0.37 0.00 0.00 0.00 0.00 23.12 23.47 2i4i s ALA 273 CO 0.10 -0.16 1.62 -1.00 0.00 0.00 0.00 175.76 176.32 2i4i h PRO 274 N 3.84 0.00 -4.29 0.00 0.13 -1.86 -3.36 132.00 126.46 2i4i h PRO 274 Ca -0.35 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.63 2i4i h PRO 274 Cb 1.18 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.15 2i4i h PRO 274 CO 0.52 0.60 -0.69 0.95 -0.23 0.00 0.00 178.00 179.16 2i4i s THR 275 N -3.61 0.30 0.19 1.56 -4.23 -1.26 -4.91 115.64 103.68 2i4i s THR 275 Ca -0.01 -1.68 -0.13 0.00 -1.18 0.00 0.00 61.69 58.68 2i4i s THR 275 Cb 0.13 -1.35 0.12 0.00 1.34 0.00 0.00 72.50 72.74 2i4i s THR 275 CO 0.76 -0.89 1.70 -0.09 -0.54 0.00 0.00 174.62 175.56 2i4i h ARG 276 N 3.37 0.16 -0.83 3.99 2.43 -1.92 -0.17 114.38 121.41 2i4i h ARG 276 Ca -0.34 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 58.81 2i4i h ARG 276 Cb 1.16 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.63 2i4i h ARG 276 CO 0.61 0.11 0.50 1.49 -1.51 0.00 0.00 179.97 181.17 2i4i h GLU 277 N 0.17 1.13 -0.23 0.20 4.57 -1.99 -1.36 114.58 117.08 2i4i h GLU 277 Ca 0.26 -0.11 -0.09 0.00 -1.18 0.00 0.00 59.36 58.24 2i4i h GLU 277 Cb 0.37 -0.24 -0.00 0.00 -0.16 0.00 0.00 28.75 28.72 2i4i h GLU 277 CO -0.38 0.80 -0.22 1.25 -1.18 0.00 0.00 179.01 179.28 2i4i h LEU 278 N 1.15 0.59 -0.40 1.64 5.85 -1.87 -2.76 115.31 119.50 2i4i h LEU 278 Ca 0.30 -0.47 0.08 0.00 0.84 0.00 0.00 57.88 58.62 2i4i h LEU 278 Cb -0.04 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 40.76 2i4i h LEU 278 CO -0.06 0.94 -0.02 0.00 -0.34 0.00 0.00 178.44 178.96 2i4i h ALA 279 N 0.67 0.34 -0.65 1.25 0.00 -0.80 -1.69 119.26 118.38 2i4i h ALA 279 Ca 0.04 0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.11 2i4i h ALA 279 Cb 0.77 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 2i4i h ALA 279 CO 0.05 -0.41 0.39 0.28 0.00 0.00 0.00 179.25 179.57 2i4i h VAL 280 N 0.08 1.05 -0.35 0.00 2.07 -1.26 0.15 116.25 117.99 2i4i h VAL 280 Ca 0.20 -0.26 0.04 0.00 0.82 0.00 0.00 66.70 67.49 2i4i h VAL 280 Cb 0.28 0.23 -0.04 0.00 -1.52 0.00 0.00 31.29 30.24 2i4i h VAL 280 CO -0.35 0.14 0.14 1.56 0.02 0.00 0.00 177.57 179.07 2i4i h GLN 281 N 0.75 0.28 -0.62 1.57 4.20 -1.16 0.13 115.11 120.27 2i4i h GLN 281 Ca 0.27 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.93 2i4i h GLN 281 Cb 0.07 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.76 2i4i h GLN 281 CO -0.13 0.19 0.24 0.82 -0.67 0.00 0.00 178.83 179.28 2i4i h ILE 282 N 0.29 1.23 -0.51 2.54 2.04 -0.86 -1.23 117.51 121.02 2i4i h ILE 282 Ca 0.16 -0.75 -0.01 0.00 1.00 0.00 0.00 64.86 65.26 2i4i h ILE 282 Cb 0.12 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 2i4i h ILE 282 CO -0.15 0.29 0.29 0.22 0.00 0.00 0.00 178.15 178.80 2i4i h TYR 283 N 0.87 0.68 -0.67 1.37 3.20 -0.33 -0.25 116.97 121.84 2i4i h TYR 283 Ca 0.20 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.00 2i4i h TYR 283 Cb 0.22 -0.22 -0.03 0.00 1.54 0.00 0.00 36.73 38.24 2i4i h TYR 283 CO 0.01 0.49 0.16 0.93 -1.64 0.00 0.00 178.16 178.12 2i4i h GLU 284 N 0.67 1.06 -0.52 1.82 5.08 -0.59 -1.65 114.58 120.45 2i4i h GLU 284 Ca 0.18 -0.25 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 2i4i h GLU 284 Cb 0.02 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 2i4i h GLU 284 CO -0.03 0.94 0.15 1.49 -1.00 0.00 0.00 179.01 180.56 2i4i h GLU 285 N 1.01 0.82 -0.74 2.33 4.57 -0.95 -2.88 114.58 118.74 2i4i h GLU 285 Ca 0.21 -0.18 0.11 0.00 -1.18 0.00 0.00 59.36 58.32 2i4i h GLU 285 Cb 0.35 -0.11 -0.08 0.00 -0.16 0.00 0.00 28.75 28.75 2i4i h GLU 285 CO 0.00 0.76 0.35 0.00 -1.18 0.00 0.00 179.01 178.95 2i4i h ALA 286 N 1.02 1.05 -0.57 2.92 0.00 -0.62 -2.26 119.26 120.79 2i4i h ALA 286 Ca 0.17 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 2i4i h ALA 286 Cb 0.29 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 2i4i h ALA 286 CO -0.00 -0.09 0.32 0.00 0.00 0.00 0.00 179.25 179.47 2i4i h ARG 287 N 0.57 0.77 -0.50 0.00 3.08 -1.16 0.11 114.38 117.24 2i4i h ARG 287 Ca 0.38 -0.07 0.03 0.00 0.07 0.00 0.00 59.98 60.39 2i4i h ARG 287 Cb 0.47 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.34 2i4i h ARG 287 CO -0.32 0.56 0.33 0.87 -1.07 0.00 0.00 179.97 180.35 2i4i h LYS 288 N 0.78 0.54 0.00 0.04 1.57 -1.20 -2.82 116.57 115.48 2i4i h LYS 288 Ca 0.20 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 2i4i h LYS 288 Cb 0.01 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.20 2i4i h LYS 288 CO -0.03 0.36 -1.85 1.19 -0.57 0.00 0.00 179.45 178.55 2i4i n PHE 289 N -4.47 0.03 1.19 -1.35 3.72 -0.58 -4.17 117.46 111.83 2i4i n PHE 289 Ca 0.06 0.01 0.13 0.00 -0.05 0.00 0.00 57.45 57.60 2i4i n PHE 289 Cb 0.15 -0.45 0.45 0.00 -0.94 0.00 0.00 39.48 38.69 2i4i n PHE 289 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2i4i n SER 290 N -2.18 0.56 -4.66 4.37 3.41 0.27 -4.74 113.62 110.64 2i4i n SER 290 Ca -0.03 -0.42 -0.45 0.00 -0.26 0.00 0.00 58.87 57.71 2i4i n SER 290 Cb 0.54 0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.48 2i4i n SER 290 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2i4i n TYR 291 N -1.10 2.10 -1.20 7.33 9.36 -1.07 -1.37 117.16 131.19 2i4i n TYR 291 Ca 0.10 0.46 -0.07 0.00 3.32 0.00 0.00 57.90 61.71 2i4i n TYR 291 Cb 0.32 -2.44 -0.03 0.00 -0.63 0.00 0.00 39.34 36.56 2i4i n TYR 291 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 2i4i n ARG 292 N 1.88 -1.55 -3.45 2.98 1.74 -1.26 -4.95 116.66 112.05 2i4i n ARG 292 Ca 0.11 0.71 -0.22 0.00 -0.77 0.00 0.00 57.85 57.68 2i4i n ARG 292 Cb 0.31 -4.99 0.01 0.00 -1.02 0.00 0.00 32.46 26.77 2i4i n ARG 292 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2i4i n SER 293 N -0.89 2.47 -0.03 0.55 3.41 -0.47 -5.03 113.62 113.62 2i4i n SER 293 Ca -0.07 -2.62 0.13 0.00 -0.26 0.00 0.00 58.87 56.05 2i4i n SER 293 Cb 0.50 -0.07 0.41 0.00 -0.26 0.00 0.00 64.21 64.79 2i4i n SER 293 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 2i4i n ARG 294 N -1.66 0.15 -2.88 4.33 1.85 -1.26 -4.85 116.66 112.34 2i4i n ARG 294 Ca -0.00 -0.07 -0.41 0.00 -1.00 0.00 0.00 57.85 56.37 2i4i n ARG 294 Cb 0.54 -1.50 -0.04 0.00 -1.05 0.00 0.00 32.46 30.41 2i4i n ARG 294 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2i4i s VAL 295 N -2.89 4.88 -0.31 8.89 1.01 -1.26 -4.95 120.40 125.77 2i4i s VAL 295 Ca 0.15 1.65 -0.09 0.00 0.00 0.00 0.00 61.98 63.69 2i4i s VAL 295 Cb 0.18 -4.14 -0.00 0.00 0.00 0.00 0.00 36.38 32.42 2i4i s VAL 295 CO 0.61 0.03 0.13 -0.60 0.00 0.00 0.00 175.10 175.27 2i4i s ARG 296 N 2.11 3.29 0.66 2.72 3.52 -1.26 -4.86 118.95 125.13 2i4i s ARG 296 Ca 0.39 -0.75 -0.11 0.00 -0.13 0.00 0.00 55.73 55.13 2i4i s ARG 296 Cb -0.17 -3.51 -0.01 0.00 -1.56 0.00 0.00 34.95 29.70 2i4i s ARG 296 CO 0.13 -0.42 1.06 -1.25 -0.81 0.00 0.00 175.30 174.01 2i4i s PRO 297 N 1.59 3.22 0.09 5.12 0.04 -1.26 -1.21 135.00 142.59 2i4i s PRO 297 Ca 0.04 0.67 -0.09 0.00 0.04 0.00 0.00 61.00 61.66 2i4i s PRO 297 Cb -0.17 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.33 2i4i s PRO 297 CO 0.05 -0.82 0.21 0.00 0.04 0.00 0.00 177.00 176.48 2i4i s VAL 299 N -3.82 0.17 0.05 0.00 0.11 -1.26 0.21 120.40 115.87 2i4i s VAL 299 Ca 0.04 -0.00 0.05 0.00 -2.93 0.00 0.00 61.98 59.14 2i4i s VAL 299 Cb 0.04 -0.21 -0.03 0.00 -1.53 0.00 0.00 36.38 34.66 2i4i s VAL 299 CO -0.11 0.10 -0.14 0.68 -3.33 0.00 0.00 175.10 172.30 2i4i s VAL 300 N 0.48 1.09 0.02 2.04 -7.23 -0.35 -4.96 120.40 111.48 2i4i s VAL 300 Ca -0.05 -1.14 -0.25 0.00 -1.81 0.00 0.00 61.98 58.74 2i4i s VAL 300 Cb -0.07 -1.02 0.06 0.00 0.56 0.00 0.00 36.38 35.91 2i4i s VAL 300 CO -0.01 -0.12 0.57 -0.72 -0.31 0.00 0.00 175.10 174.51 2i4i s TYR 301 N -1.06 -0.50 1.00 2.82 -0.85 -1.26 -2.39 117.35 115.11 2i4i s TYR 301 Ca -0.00 0.68 -0.11 0.00 -0.52 0.00 0.00 57.07 57.12 2i4i s TYR 301 Cb -0.09 0.36 0.19 0.00 0.38 0.00 0.00 41.96 42.81 2i4i s TYR 301 CO 0.02 -0.63 1.09 0.20 -1.52 0.00 0.00 175.55 174.71 2i4i s GLY 302 N -1.69 1.62 -0.19 5.49 0.00 -1.26 -4.17 107.32 107.11 2i4i s GLY 302 Ca -0.08 0.16 0.00 0.00 0.00 0.00 0.00 44.72 44.80 2i4i s GLY 302 CO 0.02 0.70 0.00 0.61 0.00 0.00 0.00 173.10 174.43 2i4i n GLY 303 N 0.06 0.51 3.35 0.20 0.00 -1.26 -4.87 105.19 103.17 2i4i n GLY 303 Ca 0.07 -0.99 -0.13 0.00 0.00 0.00 0.00 46.02 44.97 2i4i n GLY 303 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i4i s ALA 304 N -2.07 -1.12 -0.05 4.61 0.00 -1.26 -5.13 121.76 116.75 2i4i s ALA 304 Ca 0.00 0.38 -0.37 0.00 0.00 0.00 0.00 51.96 51.97 2i4i s ALA 304 Cb 0.00 0.39 -0.15 0.00 0.00 0.00 0.00 23.12 23.36 2i4i s ALA 304 CO 0.00 -0.49 1.62 -3.47 0.00 0.00 0.00 175.76 173.42 2i4i n ASP 305 N 0.41 2.50 0.12 0.00 2.03 -1.26 -4.91 116.55 115.44 2i4i n ASP 305 Ca -0.18 1.07 -0.20 0.00 0.52 0.00 0.00 54.79 56.00 2i4i n ASP 305 Cb 0.60 -1.25 -0.14 0.00 -0.72 0.00 0.00 41.12 39.61 2i4i n ASP 305 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 2i4i h ILE 306 N 4.40 1.39 -0.71 5.18 2.10 -2.00 -3.18 117.51 124.70 2i4i h ILE 306 Ca -0.47 -2.82 0.14 0.00 1.08 0.00 0.00 64.86 62.78 2i4i h ILE 306 Cb 1.30 2.93 -0.13 0.00 -1.09 0.00 0.00 36.82 39.82 2i4i h ILE 306 CO 0.89 0.84 -0.22 1.23 -1.08 0.00 0.00 178.15 179.81 2i4i h GLY 307 N 0.88 0.38 0.70 8.18 0.00 -1.99 0.22 103.07 111.45 2i4i h GLY 307 Ca -0.18 0.29 0.05 0.00 0.00 0.00 0.00 47.33 47.49 2i4i h GLY 307 CO 0.23 -0.26 0.31 -1.61 0.00 0.00 0.00 176.54 175.22 2i4i h GLN 308 N -0.03 0.58 -0.66 4.80 4.15 -1.96 -1.75 115.11 120.22 2i4i h GLN 308 Ca 0.33 -0.03 -0.07 0.00 0.77 0.00 0.00 58.65 59.65 2i4i h GLN 308 Cb 0.54 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 28.08 2i4i h GLN 308 CO -0.75 0.38 0.15 1.96 -1.93 0.00 0.00 178.83 178.65 2i4i h GLN 309 N 0.59 1.06 -0.23 1.69 4.20 -1.15 -1.94 115.11 119.34 2i4i h GLN 309 Ca 0.26 -0.26 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 2i4i h GLN 309 Cb 0.16 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 2i4i h GLN 309 CO -0.17 0.95 0.13 0.82 -0.67 0.00 0.00 178.83 179.90 2i4i h ILE 310 N 0.99 1.10 -0.91 2.54 2.04 -0.38 0.59 117.51 123.48 2i4i h ILE 310 Ca 0.21 -0.26 0.10 0.00 1.00 0.00 0.00 64.86 65.91 2i4i h ILE 310 Cb 0.37 0.85 -0.07 0.00 -0.74 0.00 0.00 36.82 37.24 2i4i h ILE 310 CO 0.00 0.10 0.58 0.03 0.00 0.00 0.00 178.15 178.87 2i4i h ARG 311 N 0.28 0.88 -0.18 2.37 3.08 -1.22 -2.05 114.38 117.54 2i4i h ARG 311 Ca 0.08 -0.05 -0.10 0.00 0.07 0.00 0.00 59.98 59.98 2i4i h ARG 311 Cb 0.04 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 29.89 2i4i h ARG 311 CO -0.01 0.58 -0.27 0.22 -1.07 0.00 0.00 179.97 179.42 2i4i h ASP 312 N 0.91 0.56 -0.85 7.04 3.58 -0.66 -3.10 116.42 123.89 2i4i h ASP 312 Ca 0.42 -0.52 0.19 0.00 0.42 0.00 0.00 57.03 57.55 2i4i h ASP 312 Cb 0.40 -0.16 -0.12 0.00 1.72 0.00 0.00 39.33 41.18 2i4i h ASP 312 CO -0.18 0.97 0.35 -0.07 -2.88 0.00 0.00 179.24 177.43 2i4i h LEU 313 N 0.16 0.29 -2.74 2.28 3.38 -0.62 -1.72 115.31 116.35 2i4i h LEU 313 Ca 0.02 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2i4i h LEU 313 Cb 0.85 0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.72 2i4i h LEU 313 CO 0.06 0.03 0.03 -0.33 0.09 0.00 0.00 178.44 178.33 2i4i h GLU 314 N 0.41 0.00 0.00 1.13 5.08 -1.30 -0.29 114.58 119.61 2i4i h GLU 314 Ca 0.51 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.87 2i4i h GLU 314 Cb 0.91 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.16 2i4i h GLU 314 CO -0.49 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.06 2i4i n ARG 315 N -3.33 0.20 0.00 2.33 1.74 -0.65 -4.97 116.66 111.98 2i4i n ARG 315 Ca -0.03 0.19 0.00 0.00 -0.77 0.00 0.00 57.85 57.24 2i4i n ARG 315 Cb 0.11 -1.74 0.00 0.00 -1.02 0.00 0.00 32.46 29.81 2i4i n ARG 315 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2i4i n GLY 316 N 1.22 4.06 2.68 -0.13 0.00 -0.12 -5.03 105.19 107.88 2i4i n GLY 316 Ca 0.06 -1.07 -0.30 0.00 0.00 0.00 0.00 46.02 44.71 2i4i n GLY 316 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i4i h HIS 318 N 7.87 0.31 -3.10 0.00 3.86 -1.50 -3.31 115.15 119.27 2i4i h HIS 318 Ca -0.11 -0.17 -0.66 0.00 -1.16 0.00 0.00 60.37 58.27 2i4i h HIS 318 Cb 1.00 -0.03 -0.35 0.00 1.06 0.00 0.00 27.41 29.08 2i4i h HIS 318 CO 0.37 0.98 -0.85 -1.17 0.86 0.00 0.00 177.93 178.11 2i4i s LEU 319 N -7.46 2.11 -0.16 2.43 0.20 -1.22 0.14 118.68 114.73 2i4i s LEU 319 Ca -0.03 -0.66 -0.04 0.00 0.69 0.00 0.00 54.13 54.09 2i4i s LEU 319 Cb 0.10 -1.44 -0.03 0.00 -0.43 0.00 0.00 46.19 44.39 2i4i s LEU 319 CO 0.83 -0.02 -0.01 -0.22 -0.29 0.00 0.00 176.35 176.64 2i4i s LEU 320 N 1.31 3.40 -0.14 -0.68 2.96 -0.58 -0.86 118.68 124.08 2i4i s LEU 320 Ca 0.04 -0.06 -0.07 0.00 -0.22 0.00 0.00 54.13 53.83 2i4i s LEU 320 Cb -0.13 -1.82 -0.04 0.00 0.50 0.00 0.00 46.19 44.69 2i4i s LEU 320 CO -0.12 0.19 0.09 -0.69 -1.32 0.00 0.00 176.35 174.49 2i4i s VAL 321 N 0.26 5.04 -0.04 1.68 1.01 0.13 -1.12 120.40 127.36 2i4i s VAL 321 Ca -0.01 0.04 -0.16 0.00 0.00 0.00 0.00 61.98 61.85 2i4i s VAL 321 Cb -0.14 -3.22 0.03 0.00 0.00 0.00 0.00 36.38 33.05 2i4i s VAL 321 CO 0.02 0.54 0.36 0.00 0.00 0.00 0.00 175.10 176.02 2i4i s ALA 322 N -0.37 -0.91 0.30 5.51 0.00 0.26 -1.21 121.76 125.35 2i4i s ALA 322 Ca 0.10 0.57 -0.24 0.00 0.00 0.00 0.00 51.96 52.40 2i4i s ALA 322 Cb -0.12 -0.08 -0.09 0.00 0.00 0.00 0.00 23.12 22.83 2i4i s ALA 322 CO 0.02 -0.25 0.88 0.95 0.00 0.00 0.00 175.76 177.35 2i4i s THR 323 N -1.00 4.33 0.21 0.00 -4.23 -1.01 -0.75 115.64 113.18 2i4i s THR 323 Ca -0.11 1.64 -0.10 0.00 -1.18 0.00 0.00 61.69 61.94 2i4i s THR 323 Cb -0.04 -3.93 0.16 0.00 1.34 0.00 0.00 72.50 70.02 2i4i s THR 323 CO 0.04 0.12 1.88 -0.65 -0.54 0.00 0.00 174.62 175.47 2i4i h PRO 324 N 3.13 1.01 -0.44 3.99 0.11 -1.91 -2.11 132.00 135.77 2i4i h PRO 324 Ca -0.47 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.55 2i4i h PRO 324 Cb 1.19 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 32.06 2i4i h PRO 324 CO 0.65 0.67 0.18 0.78 -0.21 0.00 0.00 178.00 180.07 2i4i h GLY 325 N 1.03 0.70 1.22 -0.55 0.00 -1.94 -1.78 103.07 101.75 2i4i h GLY 325 Ca 0.28 -0.38 -0.10 0.00 0.00 0.00 0.00 47.33 47.13 2i4i h GLY 325 CO -0.06 0.36 -0.08 -0.09 0.00 0.00 0.00 176.54 176.67 2i4i h ARG 326 N 0.57 0.93 -0.48 4.80 9.65 -1.90 -2.57 114.38 125.38 2i4i h ARG 326 Ca 0.15 -0.31 -0.01 0.00 -1.10 0.00 0.00 59.98 58.71 2i4i h ARG 326 Cb 0.18 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 28.66 2i4i h ARG 326 CO -0.01 0.96 0.27 1.25 2.80 0.00 0.00 179.97 185.25 2i4i h LEU 327 N 0.84 0.58 -0.37 3.80 5.85 -1.13 -0.46 115.31 124.42 2i4i h LEU 327 Ca 0.14 -0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.83 2i4i h LEU 327 Cb 0.60 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.44 2i4i h LEU 327 CO 0.04 0.49 0.14 0.58 -0.34 0.00 0.00 178.44 179.35 2i4i h VAL 328 N 0.63 0.92 -0.20 1.05 2.07 -1.25 0.99 116.25 120.46 2i4i h VAL 328 Ca 0.17 -0.11 0.05 0.00 0.82 0.00 0.00 66.70 67.64 2i4i h VAL 328 Cb 0.02 0.58 -0.07 0.00 -1.52 0.00 0.00 31.29 30.31 2i4i h VAL 328 CO -0.03 0.06 -0.31 -0.78 0.02 0.00 0.00 177.57 176.52 2i4i h ASP 329 N 0.31 -0.99 -0.83 0.57 1.82 -1.17 0.13 116.42 116.25 2i4i h ASP 329 Ca 0.16 0.15 0.09 0.00 -0.39 0.00 0.00 57.03 57.04 2i4i h ASP 329 Cb 0.12 0.43 -0.07 0.00 0.68 0.00 0.00 39.33 40.50 2i4i h ASP 329 CO -0.16 -0.34 0.49 0.24 -1.61 0.00 0.00 179.24 177.86 2i4i h MET 330 N -0.35 0.82 -0.29 0.28 2.86 -0.57 -0.71 114.93 116.96 2i4i h MET 330 Ca 0.11 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.68 2i4i h MET 330 Cb 0.53 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 2i4i h MET 330 CO -0.39 0.54 0.09 0.52 1.06 0.00 0.00 176.91 178.72 2i4i h MET 331 N 0.84 0.46 -0.72 1.72 2.86 -0.21 0.54 114.93 120.42 2i4i h MET 331 Ca 0.39 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.93 2i4i h MET 331 Cb 0.31 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.87 2i4i h MET 331 CO -0.23 0.52 0.46 0.93 1.06 0.00 0.00 176.91 179.65 2i4i h GLU 332 N 0.31 0.95 0.00 1.72 5.08 -0.39 -0.62 114.58 121.64 2i4i h GLU 332 Ca 0.09 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2i4i h GLU 332 Cb 0.25 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2i4i h GLU 332 CO -0.00 0.65 0.00 0.54 -1.00 0.00 0.00 179.01 179.20 2i4i n ARG 333 N -4.57 0.26 -1.38 2.33 1.74 -0.31 -4.88 116.66 109.85 2i4i n ARG 333 Ca 0.06 0.12 -0.05 0.00 -0.77 0.00 0.00 57.85 57.22 2i4i n ARG 333 Cb 0.03 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 29.95 2i4i n ARG 333 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2i4i n GLY 334 N -0.04 0.62 0.10 -0.13 0.00 -0.24 -4.94 105.19 100.57 2i4i n GLY 334 Ca 0.08 -0.79 0.04 0.00 0.00 0.00 0.00 46.02 45.34 2i4i n GLY 334 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2i4i n LYS 335 N -2.52 0.62 -4.41 1.61 4.76 0.13 -4.51 118.16 113.84 2i4i n LYS 335 Ca -0.05 0.18 -0.23 0.00 -2.87 0.00 0.00 58.31 55.34 2i4i n LYS 335 Cb 0.26 -1.80 -0.16 0.00 -1.84 0.00 0.00 35.03 31.48 2i4i n LYS 335 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2i4i s ILE 336 N -3.08 0.90 -0.05 -0.18 -1.09 -1.22 -1.06 121.20 115.42 2i4i s ILE 336 Ca -0.02 -0.34 0.04 0.00 -2.23 0.00 0.00 60.65 58.10 2i4i s ILE 336 Cb 0.09 -0.85 -0.03 0.00 -1.58 0.00 0.00 42.46 40.09 2i4i s ILE 336 CO 0.81 0.30 -0.15 -0.83 -1.23 0.00 0.00 174.94 173.84 2i4i s GLY 337 N 0.78 1.52 -0.03 6.18 0.00 0.83 -4.51 107.32 112.09 2i4i s GLY 337 Ca -0.13 -0.98 0.21 0.00 0.00 0.00 0.00 44.72 43.82 2i4i s GLY 337 CO 0.02 -0.77 1.56 1.04 0.00 0.00 0.00 173.10 174.95 2i4i n LEU 338 N 2.32 4.19 0.30 0.66 4.77 -1.26 -3.88 117.00 124.09 2i4i n LEU 338 Ca -0.17 -2.14 0.16 0.00 -0.03 0.00 0.00 56.01 53.83 2i4i n LEU 338 Cb 0.52 -0.51 0.95 0.00 -2.33 0.00 0.00 43.42 42.05 2i4i n LEU 338 CO 0.25 0.93 1.12 0.44 -1.33 0.00 0.00 177.39 178.80 2i4i h ASP 339 N 4.17 0.00 0.00 -1.43 3.45 -1.92 -2.18 116.42 118.52 2i4i h ASP 339 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 2i4i h ASP 339 Cb 1.13 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.90 2i4i h ASP 339 CO 0.07 0.01 -0.08 0.49 -1.57 0.00 0.00 179.24 178.17 2i4i n PHE 340 N -3.67 0.00 -2.65 4.55 3.72 -1.26 -4.59 117.46 113.56 2i4i n PHE 340 Ca -0.03 -0.71 -0.43 0.00 -0.05 0.00 0.00 57.45 56.24 2i4i n PHE 340 Cb 0.10 -0.11 -0.02 0.00 -0.94 0.00 0.00 39.48 38.51 2i4i n PHE 340 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2i4i n LYS 342 N 7.34 1.71 -3.97 0.00 4.76 0.11 -4.32 118.16 123.79 2i4i n LYS 342 Ca 0.11 -0.03 -0.25 0.00 -2.87 0.00 0.00 58.31 55.27 2i4i n LYS 342 Cb 0.48 -1.24 -0.17 0.00 -1.84 0.00 0.00 35.03 32.26 2i4i n LYS 342 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 2i4i s TYR 343 N -2.56 1.22 -0.14 2.13 2.02 -0.89 -0.27 117.35 118.87 2i4i s TYR 343 Ca 0.03 -0.53 0.02 0.00 -0.37 0.00 0.00 57.07 56.21 2i4i s TYR 343 Cb 0.11 -1.06 0.01 0.00 -0.40 0.00 0.00 41.96 40.62 2i4i s TYR 343 CO 0.61 -0.42 -0.20 -1.17 -1.57 0.00 0.00 175.55 172.81 2i4i s LEU 344 N 1.58 2.00 -0.11 -1.29 2.96 0.19 0.10 118.68 124.11 2i4i s LEU 344 Ca 0.01 -0.56 0.03 0.00 -0.22 0.00 0.00 54.13 53.39 2i4i s LEU 344 Cb -0.13 -1.35 -0.00 0.00 0.50 0.00 0.00 46.19 45.21 2i4i s LEU 344 CO -0.05 0.05 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.13 2i4i s VAL 345 N 0.93 2.35 -0.32 1.68 1.01 0.21 -0.88 120.40 125.38 2i4i s VAL 345 Ca -0.05 -0.91 -0.10 0.00 0.00 0.00 0.00 61.98 60.91 2i4i s VAL 345 Cb -0.15 -1.93 -0.01 0.00 0.00 0.00 0.00 36.38 34.29 2i4i s VAL 345 CO -0.03 0.55 0.16 -0.76 0.00 0.00 0.00 175.10 175.02 2i4i s LEU 346 N 0.38 4.18 -0.04 3.92 1.02 -0.24 -0.13 118.68 127.78 2i4i s LEU 346 Ca -0.16 -0.54 -0.02 0.00 0.02 0.00 0.00 54.13 53.43 2i4i s LEU 346 Cb -0.17 -2.02 -0.04 0.00 0.02 0.00 0.00 46.19 43.98 2i4i s LEU 346 CO 0.07 -0.21 0.08 -0.62 0.02 0.00 0.00 176.35 175.70 2i4i s ASP 347 N 1.62 5.77 -1.38 2.29 2.15 0.10 -0.83 116.67 126.38 2i4i s ASP 347 Ca 0.05 0.22 -0.07 0.00 0.43 0.00 0.00 52.55 53.18 2i4i s ASP 347 Cb -0.17 -1.71 0.00 0.00 -0.30 0.00 0.00 42.92 40.74 2i4i s ASP 347 CO 0.07 0.32 0.40 -0.62 -0.17 0.00 0.00 175.17 175.17 2i4i n GLU 348 N 1.50 -2.14 -0.11 4.34 1.02 -0.08 -4.31 120.64 120.87 2i4i n GLU 348 Ca -0.15 0.30 0.05 0.00 -0.02 0.00 0.00 57.16 57.35 2i4i n GLU 348 Cb 0.53 -4.04 0.39 0.00 -0.02 0.00 0.00 31.44 28.30 2i4i n GLU 348 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2i4i h ALA 349 N 0.91 1.72 -0.46 0.62 0.00 -1.38 -1.65 119.26 119.02 2i4i h ALA 349 Ca -0.65 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.23 2i4i h ALA 349 Cb 1.38 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 2i4i h ALA 349 CO 0.61 0.21 0.28 0.38 0.00 0.00 0.00 179.25 180.73 2i4i h ASP 350 N 0.67 0.55 -0.33 0.00 2.03 -1.87 -1.41 116.42 116.05 2i4i h ASP 350 Ca 0.24 -0.05 -0.12 0.00 -0.73 0.00 0.00 57.03 56.37 2i4i h ASP 350 Cb 0.13 -0.14 -0.01 0.00 -0.83 0.00 0.00 39.33 38.48 2i4i h ASP 350 CO -0.07 0.44 -0.24 -0.09 -1.03 0.00 0.00 179.24 178.25 2i4i h ARG 351 N 0.61 0.82 -0.75 4.15 2.43 -1.75 -0.55 114.38 119.35 2i4i h ARG 351 Ca 0.16 -0.34 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 2i4i h ARG 351 Cb -0.01 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.47 2i4i h ARG 351 CO -0.03 0.97 0.47 0.52 -1.51 0.00 0.00 179.97 180.40 2i4i h MET 352 N 0.71 1.00 -0.35 0.20 2.86 -0.97 -0.95 114.93 117.43 2i4i h MET 352 Ca 0.09 -0.07 -0.05 0.00 -2.06 0.00 0.00 59.70 57.61 2i4i h MET 352 Cb 0.77 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 32.20 2i4i h MET 352 CO 0.06 0.68 0.02 -0.07 1.06 0.00 0.00 176.91 178.66 2i4i h LEU 353 N 1.01 0.59 -1.15 1.22 3.38 -0.98 -1.55 115.31 117.83 2i4i h LEU 353 Ca 0.27 -0.29 0.21 0.00 0.09 0.00 0.00 57.88 58.16 2i4i h LEU 353 Cb -0.08 -0.16 -0.10 0.00 0.09 0.00 0.00 40.66 40.41 2i4i h LEU 353 CO -0.06 0.74 0.62 0.44 0.09 0.00 0.00 178.44 180.27 2i4i h ASP 354 N 0.42 0.66 0.33 -0.43 3.32 -0.87 -1.08 116.42 118.77 2i4i h ASP 354 Ca 0.10 0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.24 2i4i h ASP 354 Cb 0.42 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.95 2i4i h ASP 354 CO 0.01 0.21 -0.01 0.23 -1.72 0.00 0.00 179.24 177.97 2i4i n MET 355 N -4.71 0.68 -1.05 3.56 2.81 -0.38 -4.92 117.12 113.11 2i4i n MET 355 Ca 0.23 -0.02 0.00 0.00 -1.81 0.00 0.00 57.70 56.10 2i4i n MET 355 Cb 0.66 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.67 2i4i n MET 355 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2i4i n GLY 356 N 1.17 0.60 0.13 3.03 0.00 -0.41 -4.97 105.19 104.74 2i4i n GLY 356 Ca 0.18 -0.79 0.13 0.00 0.00 0.00 0.00 46.02 45.54 2i4i n GLY 356 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2i4i n PHE 357 N -2.97 0.00 -0.21 1.61 3.72 -0.60 -4.33 117.46 114.68 2i4i n PHE 357 Ca 0.00 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2i4i n PHE 357 Cb 0.14 -0.20 0.11 0.00 -0.94 0.00 0.00 39.48 38.59 2i4i n PHE 357 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 2i4i h GLU 358 N 0.65 0.44 -0.91 -1.08 4.81 -1.84 0.52 114.58 117.17 2i4i h GLU 358 Ca 0.00 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.24 2i4i h GLU 358 Cb 0.44 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.67 2i4i h GLU 358 CO 0.00 0.29 0.60 -1.35 -0.73 0.00 0.00 179.01 177.82 2i4i h PRO 359 N 0.45 1.09 -0.56 0.92 0.11 -1.98 0.02 132.00 132.05 2i4i h PRO 359 Ca 0.31 -0.07 -0.09 0.00 0.11 0.00 0.00 66.00 66.26 2i4i h PRO 359 Cb 0.35 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 31.20 2i4i h PRO 359 CO -0.28 0.72 0.00 1.96 -0.21 0.00 0.00 178.00 180.19 2i4i h GLN 360 N 1.12 0.99 -0.40 1.05 7.50 -1.52 -1.84 115.11 122.00 2i4i h GLN 360 Ca 0.37 -0.31 -0.08 0.00 0.50 0.00 0.00 58.65 59.12 2i4i h GLN 360 Cb 0.05 -0.09 -0.01 0.00 0.05 0.00 0.00 27.48 27.48 2i4i h GLN 360 CO -0.12 0.99 -0.07 0.82 -1.50 0.00 0.00 178.83 178.95 2i4i h ILE 361 N 0.88 1.27 -0.54 2.54 2.04 -0.44 -0.55 117.51 122.70 2i4i h ILE 361 Ca 0.16 -1.14 -0.05 0.00 1.00 0.00 0.00 64.86 64.83 2i4i h ILE 361 Cb 0.54 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 2i4i h ILE 361 CO 0.03 0.38 0.12 0.03 0.00 0.00 0.00 178.15 178.71 2i4i h ARG 362 N 0.57 0.84 -0.67 2.37 3.08 -0.97 0.24 114.38 119.85 2i4i h ARG 362 Ca 0.11 -0.18 -0.04 0.00 0.07 0.00 0.00 59.98 59.94 2i4i h ARG 362 Cb 0.58 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.48 2i4i h ARG 362 CO 0.03 0.77 0.27 -0.09 -1.07 0.00 0.00 179.97 179.88 2i4i h ARG 363 N 0.81 1.00 0.12 0.04 9.65 -1.03 0.90 114.38 125.86 2i4i h ARG 363 Ca 0.18 -0.18 -0.01 0.00 -1.10 0.00 0.00 59.98 58.87 2i4i h ARG 363 Cb 0.32 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 28.73 2i4i h ARG 363 CO 0.00 0.83 -0.06 0.82 2.80 0.00 0.00 179.97 184.36 2i4i h ILE 364 N 0.94 0.97 0.08 1.20 2.04 -0.70 -3.25 117.51 118.79 2i4i h ILE 364 Ca 0.22 -0.32 -0.21 0.00 1.00 0.00 0.00 64.86 65.55 2i4i h ILE 364 Cb 0.20 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 2i4i h ILE 364 CO -0.02 0.08 -1.09 0.58 0.00 0.00 0.00 178.15 177.70 2i4i h VAL 365 N -0.31 1.19 0.00 1.67 2.07 -0.95 -3.39 116.25 116.53 2i4i h VAL 365 Ca -0.02 -2.37 -0.11 0.00 0.82 0.00 0.00 66.70 65.03 2i4i h VAL 365 Cb 0.25 2.79 -0.02 0.00 -1.52 0.00 0.00 31.29 32.79 2i4i h VAL 365 CO 0.03 0.62 -2.06 -0.62 0.02 0.00 0.00 177.57 175.56 2i4i n GLU 366 N -4.15 0.71 -0.11 1.57 1.02 0.29 -4.55 120.64 115.42 2i4i n GLU 366 Ca -0.23 -0.13 0.07 0.00 -0.02 0.00 0.00 57.16 56.85 2i4i n GLU 366 Cb 0.79 -1.49 0.12 0.00 -0.02 0.00 0.00 31.44 30.84 2i4i n GLU 366 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2i4i n GLN 367 N -2.37 1.86 0.00 3.49 6.02 -1.09 -4.97 117.38 120.32 2i4i n GLN 367 Ca -0.12 -1.74 0.00 0.00 -0.01 0.00 0.00 57.00 55.13 2i4i n GLN 367 Cb 0.72 -1.29 0.00 0.00 1.02 0.00 0.00 30.24 30.69 2i4i n GLN 367 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2i4i n ASP 368 N 0.75 0.00 -1.26 1.08 -0.08 -1.23 -5.02 116.55 110.79 2i4i n ASP 368 Ca 0.11 0.00 0.12 0.00 -1.51 0.00 0.00 54.79 53.51 2i4i n ASP 368 Cb 0.40 0.00 0.28 0.00 2.34 0.00 0.00 41.12 44.14 2i4i n ASP 368 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39 2i4i n THR 369 N 0.00 0.76 -1.85 5.18 5.66 -1.26 -4.97 114.28 117.80 2i4i n THR 369 Ca 0.00 -0.87 -0.42 0.00 -3.05 0.00 0.00 64.05 59.71 2i4i n THR 369 Cb 0.00 0.70 -0.03 0.00 -1.55 0.00 0.00 70.33 69.46 2i4i n THR 369 CO 0.00 0.00 0.00 -0.32 -3.05 0.00 0.00 175.07 171.70 2i4i s MET 370 N -1.24 4.18 0.48 1.09 1.75 -1.25 -4.02 119.30 120.28 2i4i s MET 370 Ca 0.44 2.47 -0.23 0.00 -1.25 0.00 0.00 55.69 57.13 2i4i s MET 370 Cb 0.24 -3.10 -0.08 0.00 2.84 0.00 0.00 34.83 34.73 2i4i s MET 370 CO 0.33 -0.63 1.05 -2.30 -0.65 0.00 0.00 175.02 172.82 2i4i n PRO 371 N 3.33 1.34 -1.76 4.11 -0.02 -1.26 -4.95 135.00 135.78 2i4i n PRO 371 Ca 0.12 0.49 -0.29 0.00 -2.02 0.00 0.00 63.50 61.80 2i4i n PRO 371 Cb 0.38 -2.16 0.12 0.00 -0.02 0.00 0.00 33.50 31.81 2i4i n PRO 371 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2i4i s PRO 372 N -2.30 1.48 0.63 0.52 0.04 -1.26 -4.45 135.00 129.67 2i4i s PRO 372 Ca 0.67 0.11 -0.19 0.00 0.04 0.00 0.00 61.00 61.63 2i4i s PRO 372 Cb -0.50 -1.89 -0.02 0.00 0.04 0.00 0.00 34.50 32.13 2i4i s PRO 372 CO 0.54 -1.93 1.31 -1.59 0.04 0.00 0.00 177.00 175.37 2i4i s LYS 373 N -5.51 2.64 0.00 4.56 -2.85 -1.26 -1.26 119.74 116.06 2i4i s LYS 373 Ca 0.64 2.11 0.00 0.00 -1.00 0.00 0.00 55.97 57.72 2i4i s LYS 373 Cb -0.11 -1.92 0.00 0.00 -2.06 0.00 0.00 37.83 33.74 2i4i s LYS 373 CO 0.51 -1.54 0.00 0.41 0.10 0.00 0.00 175.35 174.83 2i4i n GLY 374 N 0.88 2.81 0.08 0.59 0.00 -1.26 -4.73 105.19 103.57 2i4i n GLY 374 Ca 0.15 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.08 2i4i n GLY 374 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2i4i n VAL 375 N -1.12 1.47 -1.37 1.61 0.31 -0.39 -4.94 118.33 113.89 2i4i n VAL 375 Ca 0.00 0.14 -0.30 0.00 -0.01 0.00 0.00 64.34 64.17 2i4i n VAL 375 Cb 0.00 -2.34 0.10 0.00 -0.91 0.00 0.00 33.84 30.69 2i4i n VAL 375 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2i4i s ARG 376 N -2.60 2.00 -0.16 5.55 1.70 -0.78 -4.99 118.95 119.68 2i4i s ARG 376 Ca -0.23 0.88 -0.04 0.00 -0.47 0.00 0.00 55.73 55.86 2i4i s ARG 376 Cb 0.04 -1.89 -0.03 0.00 -0.57 0.00 0.00 34.95 32.50 2i4i s ARG 376 CO 0.35 -1.74 -0.03 -1.58 -1.08 0.00 0.00 175.30 171.22 2i4i s HIS 377 N -3.01 3.04 -0.03 5.89 5.65 0.63 -4.74 115.29 122.72 2i4i s HIS 377 Ca 0.61 -0.28 0.05 0.00 0.25 0.00 0.00 55.06 55.69 2i4i s HIS 377 Cb -0.16 -1.96 -0.01 0.00 -1.18 0.00 0.00 32.58 29.27 2i4i s HIS 377 CO 0.56 -0.03 -0.17 0.99 -0.65 0.00 0.00 174.74 175.44 2i4i s THR 378 N 0.36 1.40 -0.03 0.89 2.01 -1.26 -0.64 115.64 118.37 2i4i s THR 378 Ca -0.04 -0.71 0.02 0.00 0.31 0.00 0.00 61.69 61.26 2i4i s THR 378 Cb -0.14 -1.19 0.01 0.00 0.01 0.00 0.00 72.50 71.18 2i4i s THR 378 CO 0.03 0.40 -0.06 -0.04 -0.69 0.00 0.00 174.62 174.26 2i4i s MET 379 N -0.07 0.79 -0.06 4.92 -1.94 -0.06 -2.27 119.30 120.61 2i4i s MET 379 Ca -0.01 -0.20 0.04 0.00 -1.71 0.00 0.00 55.69 53.82 2i4i s MET 379 Cb -0.10 -0.77 -0.00 0.00 2.01 0.00 0.00 34.83 35.97 2i4i s MET 379 CO 0.01 0.03 -0.20 -1.64 -0.01 0.00 0.00 175.02 173.22 2i4i s MET 380 N 0.42 2.18 -0.13 2.03 -1.94 -0.25 -1.08 119.30 120.54 2i4i s MET 380 Ca -0.06 -0.71 0.02 0.00 -1.71 0.00 0.00 55.69 53.24 2i4i s MET 380 Cb -0.10 -1.82 0.01 0.00 2.01 0.00 0.00 34.83 34.94 2i4i s MET 380 CO 0.00 0.24 -0.20 -0.06 -0.01 0.00 0.00 175.02 174.99 2i4i s PHE 381 N 0.11 2.48 0.01 -0.03 0.08 -0.01 -0.36 117.98 120.26 2i4i s PHE 381 Ca -0.08 -1.21 -0.03 0.00 0.12 0.00 0.00 56.93 55.73 2i4i s PHE 381 Cb -0.14 -1.70 -0.01 0.00 -0.57 0.00 0.00 43.02 40.60 2i4i s PHE 381 CO 0.04 -0.56 0.05 -1.54 -0.10 0.00 0.00 175.22 173.10 2i4i s SER 382 N 0.82 0.14 0.38 1.36 1.04 -0.76 -0.90 113.70 115.78 2i4i s SER 382 Ca -0.08 -0.36 0.14 0.00 0.48 0.00 0.00 55.95 56.13 2i4i s SER 382 Cb -0.16 0.15 0.77 0.00 0.10 0.00 0.00 66.02 66.88 2i4i s SER 382 CO -0.01 -0.33 1.84 0.00 0.98 0.00 0.00 173.24 175.72 2i4i h ALA 383 N 4.50 1.36 -2.51 5.32 0.00 -1.83 -1.96 119.26 124.15 2i4i h ALA 383 Ca -0.31 -0.32 -0.62 0.00 0.00 0.00 0.00 54.91 53.65 2i4i h ALA 383 Cb 1.20 -0.06 -0.15 0.00 0.00 0.00 0.00 17.79 18.78 2i4i h ALA 383 CO 0.41 0.44 -0.78 0.95 0.00 0.00 0.00 179.25 180.27 2i4i s THR 384 N -4.17 2.47 -0.53 0.00 -4.23 -1.26 -4.56 115.64 103.36 2i4i s THR 384 Ca -0.03 -2.28 0.07 0.00 -1.18 0.00 0.00 61.69 58.27 2i4i s THR 384 Cb 0.14 -2.26 0.25 0.00 1.34 0.00 0.00 72.50 71.97 2i4i s THR 384 CO 0.71 -0.31 0.64 0.33 -0.54 0.00 0.00 174.62 175.45 2i4i n PHE 385 N -0.36 1.77 -1.43 3.99 7.35 -1.26 -4.81 117.46 122.72 2i4i n PHE 385 Ca -0.07 -3.88 -0.29 0.00 -0.76 0.00 0.00 57.45 52.45 2i4i n PHE 385 Cb 0.59 -0.45 0.18 0.00 0.35 0.00 0.00 39.48 40.14 2i4i n PHE 385 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 2i4i s PRO 386 N -1.84 0.33 0.27 -7.13 0.04 -1.26 -4.88 135.00 120.54 2i4i s PRO 386 Ca 0.37 0.11 -0.04 0.00 0.04 0.00 0.00 61.00 61.49 2i4i s PRO 386 Cb 0.15 -1.76 0.35 0.00 0.04 0.00 0.00 34.50 33.28 2i4i s PRO 386 CO -0.06 -2.71 1.94 -0.22 0.04 0.00 0.00 177.00 175.99 2i4i h LYS 387 N -1.86 1.19 -0.05 4.56 1.63 -1.99 -2.32 116.57 117.73 2i4i h LYS 387 Ca -0.49 -0.08 -0.02 0.00 -0.85 0.00 0.00 60.65 59.21 2i4i h LYS 387 Cb 1.31 -0.26 -0.01 0.00 -0.60 0.00 0.00 32.23 32.67 2i4i h LYS 387 CO 0.50 0.80 -0.07 1.05 -3.45 0.00 0.00 179.45 178.28 2i4i h GLU 388 N 1.23 0.07 0.02 1.90 4.11 -1.99 0.25 114.58 120.16 2i4i h GLU 388 Ca 0.33 -0.01 -0.25 0.00 0.07 0.00 0.00 59.36 59.50 2i4i h GLU 388 Cb -0.12 -0.01 0.02 0.00 0.50 0.00 0.00 28.75 29.14 2i4i h GLU 388 CO -0.07 0.15 -1.00 0.82 0.07 0.00 0.00 179.01 178.98 2i4i h ILE 389 N 0.07 1.30 -0.67 -1.06 1.08 -1.79 -1.46 117.51 114.98 2i4i h ILE 389 Ca 0.02 -2.25 0.03 0.00 -0.39 0.00 0.00 64.86 62.27 2i4i h ILE 389 Cb 0.18 2.46 -0.04 0.00 -3.07 0.00 0.00 36.82 36.35 2i4i h ILE 389 CO 0.01 0.69 0.42 -0.61 -0.69 0.00 0.00 178.15 177.96 2i4i h GLN 390 N 0.29 0.79 -0.57 2.37 4.15 -1.11 -0.28 115.11 120.76 2i4i h GLN 390 Ca -0.13 -0.05 -0.08 0.00 0.77 0.00 0.00 58.65 59.16 2i4i h GLN 390 Cb 1.66 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 29.15 2i4i h GLN 390 CO 0.20 0.52 0.03 0.52 -1.93 0.00 0.00 178.83 178.17 2i4i h MET 391 N 0.82 0.96 -0.54 1.69 2.86 -0.95 -0.96 114.93 118.81 2i4i h MET 391 Ca 0.27 -0.27 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 2i4i h MET 391 Cb 0.01 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.54 2i4i h MET 391 CO -0.10 0.93 0.25 1.25 1.06 0.00 0.00 176.91 180.30 2i4i h LEU 392 N 0.89 0.71 -0.55 1.22 5.85 -0.97 -2.21 115.31 120.25 2i4i h LEU 392 Ca 0.17 -0.14 0.06 0.00 0.84 0.00 0.00 57.88 58.81 2i4i h LEU 392 Cb 0.48 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.27 2i4i h LEU 392 CO 0.02 0.65 0.26 0.00 -0.34 0.00 0.00 178.44 179.04 2i4i h ALA 393 N 1.09 0.71 -0.89 1.25 0.00 -0.85 0.44 119.26 121.02 2i4i h ALA 393 Ca 0.18 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.14 2i4i h ALA 393 Cb 0.14 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 2i4i h ALA 393 CO -0.02 -0.10 0.58 0.00 0.00 0.00 0.00 179.25 179.71 2i4i h ARG 394 N 0.50 1.17 -0.21 0.00 -0.00 -1.04 -0.13 114.38 114.67 2i4i h ARG 394 Ca 0.25 -0.07 -0.04 0.00 -0.50 0.00 0.00 59.98 59.63 2i4i h ARG 394 Cb 0.20 -0.26 -0.01 0.00 0.00 0.00 0.00 29.97 29.90 2i4i h ARG 394 CO -0.20 0.78 -0.02 -0.44 0.00 0.00 0.00 179.97 180.09 2i4i h ASP 395 N 1.20 0.37 0.58 7.04 3.32 -1.10 -3.38 116.42 124.45 2i4i h ASP 395 Ca 0.32 -0.33 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 2i4i h ASP 395 Cb -0.14 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 2i4i h ASP 395 CO -0.07 0.61 -1.45 0.49 -1.72 0.00 0.00 179.24 177.10 2i4i n PHE 396 N -4.66 0.60 -4.64 4.55 3.01 0.12 -4.94 117.46 111.49 2i4i n PHE 396 Ca -0.04 0.18 -0.33 0.00 1.01 0.00 0.00 57.45 58.27 2i4i n PHE 396 Cb 0.25 -0.82 -0.12 0.00 -0.01 0.00 0.00 39.48 38.78 2i4i n PHE 396 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2i4i s LEU 397 N -5.13 3.02 -0.19 4.37 1.43 -0.08 -4.69 118.68 117.41 2i4i s LEU 397 Ca -0.04 -0.13 -0.04 0.00 -1.03 0.00 0.00 54.13 52.89 2i4i s LEU 397 Cb 0.11 -1.68 -0.02 0.00 0.03 0.00 0.00 46.19 44.63 2i4i s LEU 397 CO 0.84 0.33 -0.03 -0.62 0.23 0.00 0.00 176.35 177.09 2i4i s ASP 398 N -1.02 4.61 -1.55 2.29 2.15 -1.26 -4.72 116.67 117.17 2i4i s ASP 398 Ca 0.14 -0.25 -0.08 0.00 0.43 0.00 0.00 52.55 52.79 2i4i s ASP 398 Cb -0.11 -1.77 0.07 0.00 -0.30 0.00 0.00 42.92 40.81 2i4i s ASP 398 CO 0.03 0.07 0.54 -0.62 -0.17 0.00 0.00 175.17 175.02 2i4i n GLU 399 N 4.18 -3.03 -1.95 4.34 1.02 -1.26 -4.13 120.64 119.82 2i4i n GLU 399 Ca -0.18 0.36 -0.29 0.00 -0.02 0.00 0.00 57.16 57.04 2i4i n GLU 399 Cb 0.52 -4.69 0.07 0.00 -0.02 0.00 0.00 31.44 27.31 2i4i n GLU 399 CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 2i4i s TYR 400 N -3.71 3.12 -0.11 -0.32 -0.85 -1.26 -4.53 117.35 109.70 2i4i s TYR 400 Ca 0.32 0.84 -0.03 0.00 -0.52 0.00 0.00 57.07 57.69 2i4i s TYR 400 Cb -0.18 -3.24 -0.03 0.00 0.38 0.00 0.00 41.96 38.89 2i4i s TYR 400 CO 0.92 -1.43 -0.00 0.42 -1.52 0.00 0.00 175.55 173.93 2i4i s ILE 401 N -3.42 4.28 -0.26 -3.49 -1.09 -0.35 -4.69 121.20 112.18 2i4i s ILE 401 Ca 0.60 -0.25 -0.14 0.00 -2.23 0.00 0.00 60.65 58.63 2i4i s ILE 401 Cb -0.11 -2.82 -0.04 0.00 -1.58 0.00 0.00 42.46 37.91 2i4i s ILE 401 CO 0.50 0.57 0.34 0.12 -1.23 0.00 0.00 174.94 175.24 2i4i s PHE 402 N -0.57 3.27 -0.17 3.97 5.36 0.03 -0.83 117.98 129.03 2i4i s PHE 402 Ca 0.10 0.39 0.01 0.00 -0.96 0.00 0.00 56.93 56.46 2i4i s PHE 402 Cb -0.12 -2.52 0.01 0.00 -0.34 0.00 0.00 43.02 40.05 2i4i s PHE 402 CO 0.02 -0.17 -0.18 -1.17 -1.46 0.00 0.00 175.22 172.27 2i4i s LEU 403 N 1.85 2.27 -0.15 6.12 0.20 0.19 -0.55 118.68 128.62 2i4i s LEU 403 Ca 0.14 -0.58 0.01 0.00 0.69 0.00 0.00 54.13 54.39 2i4i s LEU 403 Cb -0.15 -1.52 0.00 0.00 -0.43 0.00 0.00 46.19 44.09 2i4i s LEU 403 CO 0.09 0.03 -0.18 0.00 -0.29 0.00 0.00 176.35 176.00 2i4i s ALA 404 N 1.15 2.40 -0.13 5.97 0.00 -0.28 -0.42 121.76 130.45 2i4i s ALA 404 Ca 0.01 -1.05 -0.14 0.00 0.00 0.00 0.00 51.96 50.78 2i4i s ALA 404 Cb -0.14 -1.13 -0.05 0.00 0.00 0.00 0.00 23.12 21.81 2i4i s ALA 404 CO -0.08 -0.00 0.33 0.14 0.00 0.00 0.00 175.76 176.15 2i4i s VAL 405 N 0.77 5.26 -0.05 0.00 -7.23 -0.62 -1.69 120.40 116.84 2i4i s VAL 405 Ca -0.07 0.63 -0.00 0.00 -1.81 0.00 0.00 61.98 60.73 2i4i s VAL 405 Cb -0.16 -3.66 -0.00 0.00 0.56 0.00 0.00 36.38 33.12 2i4i s VAL 405 CO 0.00 0.42 0.02 1.23 -0.31 0.00 0.00 175.10 176.46 2i4i h GLY 406 N 6.34 -0.01 -5.95 2.32 0.00 -0.98 -3.47 103.07 101.32 2i4i h GLY 406 Ca -0.43 0.00 0.26 0.00 0.00 0.00 0.00 47.33 47.17 2i4i h GLY 406 CO 0.73 -0.00 0.30 -0.51 0.00 0.00 0.00 176.54 177.05 2i4i s THR 411 N -1.33 -0.17 0.00 4.70 -4.23 -1.26 -4.87 115.64 108.48 2i4i s THR 411 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.51 2i4i s THR 411 Cb 0.00 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.84 2i4i s THR 411 CO 0.01 0.00 0.00 -1.54 -0.54 0.00 0.00 174.62 172.55 2i4i n SER 412 N 5.24 0.00 -1.64 3.99 3.41 -1.26 -4.61 113.62 118.75 2i4i n SER 412 Ca -0.08 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.38 2i4i n SER 412 Cb 0.54 0.00 0.15 0.00 -0.26 0.00 0.00 64.21 64.65 2i4i n SER 412 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2i4i n GLU 413 N -0.37 2.28 -0.09 4.33 4.71 -1.26 -4.43 120.64 125.82 2i4i n GLU 413 Ca 0.00 -3.33 0.05 0.00 -0.01 0.00 0.00 57.16 53.87 2i4i n GLU 413 Cb 0.00 -2.01 0.18 0.00 -1.01 0.00 0.00 31.44 28.59 2i4i n GLU 413 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 2i4i n ASN 414 N -1.04 1.07 -4.24 1.62 4.13 -1.26 -4.90 115.26 110.63 2i4i n ASN 414 Ca 0.44 -1.90 -0.33 0.00 1.68 0.00 0.00 54.58 54.46 2i4i n ASN 414 Cb 1.08 -0.12 -0.15 0.00 -1.54 0.00 0.00 39.78 39.05 2i4i n ASN 414 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2i4i s ILE 415 N -1.76 2.65 -0.05 2.41 1.01 -1.26 -2.15 121.20 122.05 2i4i s ILE 415 Ca 0.18 -0.77 -0.28 0.00 0.00 0.00 0.00 60.65 59.78 2i4i s ILE 415 Cb 0.09 -2.13 -0.03 0.00 0.01 0.00 0.00 42.46 40.40 2i4i s ILE 415 CO 0.13 0.51 0.91 -0.89 0.00 0.00 0.00 174.94 175.59 2i4i s THR 416 N 0.98 4.90 -0.22 2.92 2.01 -0.45 -4.96 115.64 120.81 2i4i s THR 416 Ca -0.02 1.88 -0.02 0.00 0.31 0.00 0.00 61.69 63.84 2i4i s THR 416 Cb -0.15 -4.24 0.01 0.00 0.01 0.00 0.00 72.50 68.13 2i4i s THR 416 CO -0.03 0.14 -0.08 -1.10 -0.69 0.00 0.00 174.62 172.87 2i4i s GLN 417 N 1.23 3.10 -0.21 4.92 -0.21 -1.26 -0.64 119.66 126.59 2i4i s GLN 417 Ca 0.47 -0.80 -0.06 0.00 0.02 0.00 0.00 55.36 55.00 2i4i s GLN 417 Cb -0.19 -2.92 -0.03 0.00 1.00 0.00 0.00 33.01 30.87 2i4i s GLN 417 CO 0.23 -0.28 0.02 0.15 -2.12 0.00 0.00 175.29 173.29 2i4i s LYS 418 N 1.39 3.63 -0.18 2.91 1.02 0.49 -4.50 119.74 124.50 2i4i s LYS 418 Ca 0.04 -0.51 -0.02 0.00 0.02 0.00 0.00 55.97 55.50 2i4i s LYS 418 Cb -0.15 -3.14 -0.01 0.00 -0.52 0.00 0.00 37.83 34.01 2i4i s LYS 418 CO -0.06 -0.04 -0.08 0.08 -0.92 0.00 0.00 175.35 174.33 2i4i s VAL 419 N 1.16 3.26 0.06 3.17 1.01 -1.26 -0.82 120.40 126.97 2i4i s VAL 419 Ca 0.03 -0.56 0.07 0.00 0.00 0.00 0.00 61.98 61.52 2i4i s VAL 419 Cb -0.14 -2.43 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 2i4i s VAL 419 CO 0.02 0.48 -0.19 0.68 0.00 0.00 0.00 175.10 176.08 2i4i s VAL 420 N 0.89 1.57 -0.31 2.92 -7.23 -0.69 -4.77 120.40 112.79 2i4i s VAL 420 Ca -0.02 -1.27 -0.29 0.00 -1.81 0.00 0.00 61.98 58.59 2i4i s VAL 420 Cb -0.15 -1.40 0.02 0.00 0.56 0.00 0.00 36.38 35.41 2i4i s VAL 420 CO 0.00 0.08 1.08 0.86 -0.31 0.00 0.00 175.10 176.82 2i4i s TRP 421 N -0.93 3.16 -0.14 2.82 -0.11 -1.26 -1.10 118.94 121.39 2i4i s TRP 421 Ca 0.06 1.22 -0.02 0.00 1.22 0.00 0.00 56.10 58.57 2i4i s TRP 421 Cb -0.09 -3.65 0.05 0.00 -1.50 0.00 0.00 33.47 28.28 2i4i s TRP 421 CO 0.02 -0.76 0.03 0.08 -4.62 0.00 0.00 176.95 171.70 2i4i s VAL 422 N 3.62 0.38 0.82 5.86 1.01 0.17 -4.88 120.40 127.38 2i4i s VAL 422 Ca 0.46 -0.23 -0.12 0.00 0.00 0.00 0.00 61.98 62.09 2i4i s VAL 422 Cb -0.13 -0.77 0.09 0.00 0.00 0.00 0.00 36.38 35.58 2i4i s VAL 422 CO 0.14 -0.03 1.15 -1.61 0.00 0.00 0.00 175.10 174.76 2i4i s GLU 423 N 1.94 1.68 0.27 2.72 0.41 -1.26 -4.32 118.70 120.14 2i4i s GLU 423 Ca 0.02 1.53 -0.05 0.00 -0.41 0.00 0.00 54.97 56.06 2i4i s GLU 423 Cb -0.15 -1.80 0.32 0.00 -1.78 0.00 0.00 34.13 30.72 2i4i s GLU 423 CO -0.07 -2.13 1.94 0.93 -0.49 0.00 0.00 175.26 175.44 2i4i h GLU 424 N -1.16 1.25 0.00 1.61 4.39 -2.01 -1.17 114.58 117.49 2i4i h GLU 424 Ca -0.45 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.18 2i4i h GLU 424 Cb 1.27 -0.28 0.00 0.00 -0.10 0.00 0.00 28.75 29.64 2i4i h GLU 424 CO 0.46 0.83 0.00 -1.13 -1.16 0.00 0.00 179.01 178.01 2i4i n SER 425 N -4.39 0.42 0.00 1.42 3.41 -1.26 -2.76 113.62 110.46 2i4i n SER 425 Ca 0.11 0.57 0.10 0.00 -0.26 0.00 0.00 58.87 59.40 2i4i n SER 425 Cb 0.02 -0.67 -0.05 0.00 -0.26 0.00 0.00 64.21 63.25 2i4i n SER 425 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2i4i n ASP 426 N -1.93 0.88 -0.24 4.04 8.00 -0.46 -4.64 116.55 122.21 2i4i n ASP 426 Ca 0.04 -0.83 -0.06 0.00 0.71 0.00 0.00 54.79 54.65 2i4i n ASP 426 Cb 0.29 0.88 0.04 0.00 -0.02 0.00 0.00 41.12 42.31 2i4i n ASP 426 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 2i4i h LYS 427 N 0.00 0.96 -0.29 -1.24 1.57 -1.31 -0.56 116.57 115.70 2i4i h LYS 427 Ca 0.00 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 58.64 2i4i h LYS 427 Cb 0.51 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 2i4i h LYS 427 CO 0.00 0.75 0.16 0.00 -0.57 0.00 0.00 179.45 179.79 2i4i h ARG 428 N 0.93 0.40 -0.78 3.15 3.08 -1.82 0.21 114.38 119.55 2i4i h ARG 428 Ca 0.23 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.19 2i4i h ARG 428 Cb 0.10 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.03 2i4i h ARG 428 CO -0.03 0.34 0.31 0.77 -1.07 0.00 0.00 179.97 180.29 2i4i h SER 429 N 0.35 1.07 -0.47 7.04 0.02 -1.82 -0.80 113.55 118.94 2i4i h SER 429 Ca 0.10 -0.16 -0.03 0.00 -0.84 0.00 0.00 61.79 60.86 2i4i h SER 429 Cb 0.05 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.29 2i4i h SER 429 CO -0.02 0.94 0.18 0.15 -1.14 0.00 0.00 176.83 176.95 2i4i h PHE 430 N 1.13 0.72 -0.93 3.45 3.57 -0.82 -2.77 116.94 121.30 2i4i h PHE 430 Ca 0.26 -0.06 0.05 0.00 3.53 0.00 0.00 57.97 61.75 2i4i h PHE 430 Cb 0.21 -0.22 -0.06 0.00 2.79 0.00 0.00 35.95 38.67 2i4i h PHE 430 CO 0.02 0.62 0.60 1.25 -2.23 0.00 0.00 178.31 178.57 2i4i h LEU 431 N 0.62 0.97 -0.81 0.59 5.85 -0.10 -2.40 115.31 120.03 2i4i h LEU 431 Ca 0.16 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.84 2i4i h LEU 431 Cb 0.21 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 2i4i h LEU 431 CO -0.01 0.64 0.36 -0.07 -0.34 0.00 0.00 178.44 179.02 2i4i h LEU 432 N 1.12 1.08 -0.52 2.25 3.38 -0.96 -0.99 115.31 120.67 2i4i h LEU 432 Ca 0.39 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 58.15 2i4i h LEU 432 Cb 0.10 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 2i4i h LEU 432 CO -0.15 0.94 0.08 -0.78 0.09 0.00 0.00 178.44 178.61 2i4i h ASP 433 N 1.16 0.83 -0.53 -0.43 3.58 -1.18 0.15 116.42 120.01 2i4i h ASP 433 Ca 0.27 -0.26 0.04 0.00 0.42 0.00 0.00 57.03 57.50 2i4i h ASP 433 Cb 0.16 -0.22 -0.04 0.00 1.72 0.00 0.00 39.33 40.95 2i4i h ASP 433 CO -0.03 0.89 0.29 -0.07 -2.88 0.00 0.00 179.24 177.43 2i4i h LEU 434 N 0.75 0.43 -1.07 2.28 3.38 -1.12 -2.36 115.31 117.61 2i4i h LEU 434 Ca 0.16 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 58.05 2i4i h LEU 434 Cb 0.41 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 2i4i h LEU 434 CO 0.01 0.30 -0.43 -0.07 0.09 0.00 0.00 178.44 178.34 2i4i h LEU 435 N 0.56 0.07 -1.09 1.67 3.38 -0.91 -2.85 115.31 116.15 2i4i h LEU 435 Ca 0.23 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 58.07 2i4i h LEU 435 Cb 0.10 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2i4i h LEU 435 CO -0.14 0.50 -0.45 0.78 0.09 0.00 0.00 178.44 179.22 2i4i h ASN 436 N 0.06 0.00 0.34 -0.43 -0.26 -0.51 -2.80 115.58 111.98 2i4i h ASN 436 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 2i4i h ASN 436 Cb 0.79 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.05 2i4i h ASN 436 CO 0.06 0.45 -0.01 0.00 -1.06 0.00 0.00 177.43 176.87 2i4i n ALA 437 N -2.45 2.58 -2.32 -0.83 0.00 -0.90 -4.82 120.51 111.76 2i4i n ALA 437 Ca -0.02 -0.18 -0.41 0.00 0.00 0.00 0.00 53.44 52.84 2i4i n ALA 437 Cb 0.48 -1.48 -0.05 0.00 0.00 0.00 0.00 19.45 18.40 2i4i n ALA 437 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2i4i s THR 438 N -2.35 4.60 0.00 0.00 2.01 -1.06 -5.07 115.64 113.77 2i4i s THR 438 Ca 0.36 1.87 0.00 0.00 0.31 0.00 0.00 61.69 64.23 2i4i s THR 438 Cb 0.21 -4.23 0.00 0.00 0.01 0.00 0.00 72.50 68.49 2i4i s THR 438 CO 0.43 0.34 0.00 0.61 -0.69 0.00 0.00 174.62 175.31 2i4i n GLY 439 N 2.31 3.60 7.00 4.40 0.00 -1.26 -5.04 105.19 116.20 2i4i n GLY 439 Ca 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 44.02 2i4i n GLY 439 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2i4i n LYS 440 N 0.00 0.00 -3.40 1.61 5.02 -1.26 -3.56 118.16 116.57 2i4i n LYS 440 Ca 0.00 0.00 -0.45 0.00 -2.02 0.00 0.00 58.31 55.84 2i4i n LYS 440 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 2i4i n LYS 440 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2i4i s ASP 441 N -4.00 6.70 -0.16 4.39 2.15 -1.26 -5.05 116.67 119.44 2i4i s ASP 441 Ca 0.00 -3.03 -0.08 0.00 0.43 0.00 0.00 52.55 49.87 2i4i s ASP 441 Cb 0.00 -2.15 -0.04 0.00 -0.30 0.00 0.00 42.92 40.43 2i4i s ASP 441 CO 0.00 -0.45 0.11 -0.44 -0.17 0.00 0.00 175.17 174.23 2i4i s SER 442 N 1.61 6.10 -0.03 -0.34 0.01 -1.23 -5.06 113.70 114.75 2i4i s SER 442 Ca 0.22 0.28 -0.16 0.00 1.31 0.00 0.00 55.95 57.60 2i4i s SER 442 Cb -0.11 -2.01 -0.05 0.00 0.21 0.00 0.00 66.02 64.05 2i4i s SER 442 CO -0.08 0.28 0.43 -0.76 0.41 0.00 0.00 173.24 173.52 2i4i s LEU 443 N -0.24 4.42 -0.11 2.44 1.43 -1.26 -4.87 118.68 120.49 2i4i s LEU 443 Ca 0.10 0.93 0.03 0.00 -1.03 0.00 0.00 54.13 54.16 2i4i s LEU 443 Cb -0.12 -2.63 0.01 0.00 0.03 0.00 0.00 46.19 43.48 2i4i s LEU 443 CO 0.01 0.23 -0.21 -0.89 0.23 0.00 0.00 176.35 175.72 2i4i s THR 444 N -0.59 1.86 -0.25 5.49 2.01 0.42 -1.54 115.64 123.04 2i4i s THR 444 Ca 0.24 -0.88 -0.08 0.00 0.31 0.00 0.00 61.69 61.28 2i4i s THR 444 Cb -0.16 -1.64 -0.04 0.00 0.01 0.00 0.00 72.50 70.67 2i4i s THR 444 CO 0.13 0.51 0.10 -0.22 -0.69 0.00 0.00 174.62 174.45 2i4i s LEU 445 N 0.64 3.65 -0.26 4.42 2.96 0.06 -0.83 118.68 129.31 2i4i s LEU 445 Ca -0.13 -0.12 -0.04 0.00 -0.22 0.00 0.00 54.13 53.63 2i4i s LEU 445 Cb -0.16 -1.99 0.02 0.00 0.50 0.00 0.00 46.19 44.56 2i4i s LEU 445 CO 0.03 -0.02 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.35 2i4i s VAL 446 N 1.52 3.33 -0.09 1.68 1.01 0.93 -0.35 120.40 128.43 2i4i s VAL 446 Ca 0.06 -0.84 -0.13 0.00 0.00 0.00 0.00 61.98 61.07 2i4i s VAL 446 Cb -0.15 -2.68 -0.05 0.00 0.00 0.00 0.00 36.38 33.50 2i4i s VAL 446 CO 0.05 0.18 0.32 -0.36 0.00 0.00 0.00 175.10 175.30 2i4i s PHE 447 N 1.41 3.58 0.24 5.22 0.08 0.49 -1.02 117.98 127.98 2i4i s PHE 447 Ca 0.02 0.74 0.05 0.00 0.12 0.00 0.00 56.93 57.86 2i4i s PHE 447 Cb -0.17 -2.27 -0.05 0.00 -0.57 0.00 0.00 43.02 39.96 2i4i s PHE 447 CO -0.02 0.46 -0.05 0.14 -0.10 0.00 0.00 175.22 175.66 2i4i s VAL 448 N -0.32 1.38 0.01 -0.44 -7.23 -0.49 -1.74 120.40 111.57 2i4i s VAL 448 Ca 0.19 -2.09 -0.21 0.00 -1.81 0.00 0.00 61.98 58.06 2i4i s VAL 448 Cb -0.14 -2.32 -0.19 0.00 0.56 0.00 0.00 36.38 34.28 2i4i s VAL 448 CO 0.08 -0.37 1.19 -0.08 -0.31 0.00 0.00 175.10 175.61 2i4i h GLU 449 N 2.42 0.35 -5.54 4.82 4.57 -1.87 -3.37 114.58 115.96 2i4i h GLU 449 Ca -0.39 -0.28 -0.44 0.00 -1.18 0.00 0.00 59.36 57.08 2i4i h GLU 449 Cb 1.22 0.05 -0.17 0.00 -0.16 0.00 0.00 28.75 29.70 2i4i h GLU 449 CO 0.65 0.91 -0.75 0.95 -1.18 0.00 0.00 179.01 179.60 2i4i s THR 450 N -3.68 1.54 0.17 0.32 -4.23 -1.26 -4.86 115.64 103.64 2i4i s THR 450 Ca -0.14 -1.94 -0.17 0.00 -1.18 0.00 0.00 61.69 58.26 2i4i s THR 450 Cb 0.04 -1.78 0.09 0.00 1.34 0.00 0.00 72.50 72.18 2i4i s THR 450 CO 0.78 -0.48 1.68 0.11 -0.54 0.00 0.00 174.62 176.16 2i4i h LYS 451 N 3.10 0.02 -0.01 3.99 1.57 -1.98 -0.56 116.57 122.72 2i4i h LYS 451 Ca -0.39 -0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.41 2i4i h LYS 451 Cb 1.20 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.47 2i4i h LYS 451 CO 0.55 0.02 -0.22 0.87 -0.57 0.00 0.00 179.45 180.09 2i4i h LYS 452 N 0.02 -0.34 -0.90 3.15 1.57 -1.99 -1.44 116.57 116.65 2i4i h LYS 452 Ca 0.19 0.02 0.23 0.00 -1.87 0.00 0.00 60.65 59.22 2i4i h LYS 452 Cb 0.29 0.08 -0.13 0.00 0.08 0.00 0.00 32.23 32.55 2i4i h LYS 452 CO -0.39 -0.23 0.38 0.78 -0.57 0.00 0.00 179.45 179.43 2i4i h GLY 453 N -0.35 1.54 0.92 3.86 0.00 -1.88 -0.36 103.07 106.81 2i4i h GLY 453 Ca 0.06 -0.16 -0.07 0.00 0.00 0.00 0.00 47.33 47.17 2i4i h GLY 453 CO -0.21 -0.29 -0.04 0.00 0.00 0.00 0.00 176.54 176.00 2i4i h ALA 454 N 1.73 0.47 -0.35 3.60 0.00 -0.18 -1.75 119.26 122.78 2i4i h ALA 454 Ca 0.57 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 2i4i h ALA 454 Cb 1.10 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2i4i h ALA 454 CO -0.55 0.28 0.05 -0.44 0.00 0.00 0.00 179.25 178.59 2i4i h ASP 455 N 0.44 0.57 -0.69 0.00 3.32 -0.78 -1.93 116.42 117.34 2i4i h ASP 455 Ca 0.09 -0.27 -0.07 0.00 0.02 0.00 0.00 57.03 56.80 2i4i h ASP 455 Cb 0.52 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.89 2i4i h ASP 455 CO 0.03 0.69 0.14 -1.28 -1.72 0.00 0.00 179.24 177.10 2i4i h SER 456 N 0.42 1.07 -0.01 6.45 0.87 -1.07 -2.16 113.55 119.13 2i4i h SER 456 Ca 0.11 -0.25 -0.19 0.00 -1.23 0.00 0.00 61.79 60.23 2i4i h SER 456 Cb 0.37 -0.28 0.01 0.00 -0.44 0.00 0.00 62.40 62.07 2i4i h SER 456 CO 0.01 1.04 -0.73 0.25 -0.53 0.00 0.00 176.83 176.87 2i4i h LEU 457 N 1.06 0.65 -1.09 2.23 5.85 -1.26 -1.51 115.31 121.24 2i4i h LEU 457 Ca 0.21 -0.75 0.09 0.00 0.84 0.00 0.00 57.88 58.28 2i4i h LEU 457 Cb 0.41 -0.20 -0.07 0.00 0.37 0.00 0.00 40.66 41.17 2i4i h LEU 457 CO 0.01 1.32 0.62 -0.08 -0.34 0.00 0.00 178.44 179.96 2i4i h GLU 458 N 0.06 0.99 -0.39 1.25 4.81 -1.35 0.18 114.58 120.12 2i4i h GLU 458 Ca -0.09 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.02 2i4i h GLU 458 Cb 1.42 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 2i4i h GLU 458 CO 0.14 0.65 -0.00 0.22 -0.73 0.00 0.00 179.01 179.30 2i4i h ASP 459 N 1.02 0.67 0.04 1.04 3.58 -1.25 -0.64 116.42 120.87 2i4i h ASP 459 Ca 0.44 -0.31 0.00 0.00 0.42 0.00 0.00 57.03 57.59 2i4i h ASP 459 Cb 0.35 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.21 2i4i h ASP 459 CO -0.20 0.82 -0.05 0.15 -2.88 0.00 0.00 179.24 177.08 2i4i h PHE 460 N 0.51 -0.12 -0.69 0.28 3.57 -0.85 -1.84 116.94 117.79 2i4i h PHE 460 Ca 0.11 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.64 2i4i h PHE 460 Cb 0.47 0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.22 2i4i h PHE 460 CO 0.04 -0.08 0.44 -0.07 -2.23 0.00 0.00 178.31 176.41 2i4i h LEU 461 N -0.11 0.72 0.22 0.59 3.38 -0.85 -0.77 115.31 118.49 2i4i h LEU 461 Ca 0.01 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2i4i h LEU 461 Cb 0.11 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2i4i h LEU 461 CO -0.03 0.50 -0.15 0.22 0.09 0.00 0.00 178.44 179.07 2i4i h TYR 462 N 0.86 -0.40 0.00 1.13 3.20 -1.00 0.04 116.97 120.80 2i4i h TYR 462 Ca 0.27 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.14 2i4i h TYR 462 Cb 0.00 0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.42 2i4i h TYR 462 CO -0.04 -0.24 0.00 0.72 -1.64 0.00 0.00 178.16 176.96 2i4i n HIS 463 N -5.28 0.37 1.22 -3.82 8.25 -0.70 -1.09 115.22 114.16 2i4i n HIS 463 Ca -0.09 0.16 0.13 0.00 -0.26 0.00 0.00 57.72 57.66 2i4i n HIS 463 Cb 0.19 -0.76 0.31 0.00 1.12 0.00 0.00 29.99 30.85 2i4i n HIS 463 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2i4i n GLU 464 N -1.85 1.02 -0.26 -0.41 -0.58 -0.31 -4.95 120.64 113.31 2i4i n GLU 464 Ca 0.01 -0.67 0.00 0.00 -0.42 0.00 0.00 57.16 56.09 2i4i n GLU 464 Cb 0.12 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.51 2i4i n GLU 464 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2i4i n GLY 465 N 1.34 0.84 3.81 0.62 0.00 -0.25 -5.06 105.19 106.49 2i4i n GLY 465 Ca 0.12 -0.27 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 2i4i n GLY 465 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2i4i s TYR 466 N -2.00 3.62 -0.39 1.61 2.02 -0.12 -5.01 117.35 117.08 2i4i s TYR 466 Ca 0.00 0.78 -0.22 0.00 -0.37 0.00 0.00 57.07 57.26 2i4i s TYR 466 Cb 0.00 -2.24 0.01 0.00 -0.40 0.00 0.00 41.96 39.34 2i4i s TYR 466 CO 0.00 0.54 0.73 0.00 -1.57 0.00 0.00 175.55 175.25 2i4i s ALA 467 N -0.58 3.40 0.17 3.71 0.00 -1.26 -3.96 121.76 123.23 2i4i s ALA 467 Ca 0.20 -0.83 -0.10 0.00 0.00 0.00 0.00 51.96 51.23 2i4i s ALA 467 Cb -0.15 -3.33 -0.00 0.00 0.00 0.00 0.00 23.12 19.64 2i4i s ALA 467 CO 0.09 -1.56 0.31 0.00 0.00 0.00 0.00 175.76 174.60 2i4i s THR 469 N -3.95 0.00 0.04 0.00 -1.32 0.32 -4.93 115.64 105.79 2i4i s THR 469 Ca 0.16 -1.95 -0.09 0.00 -1.21 0.00 0.00 61.69 58.60 2i4i s THR 469 Cb 0.03 -2.52 0.00 0.00 -1.51 0.00 0.00 72.50 68.50 2i4i s THR 469 CO -0.00 0.00 0.19 -0.94 -2.21 0.00 0.00 174.62 171.65 2i4i s SER 470 N -3.36 0.04 -0.03 8.08 1.04 -1.26 -0.80 113.70 117.42 2i4i s SER 470 Ca 0.40 -0.38 0.01 0.00 0.48 0.00 0.00 55.95 56.45 2i4i s SER 470 Cb 0.02 0.29 0.02 0.00 0.10 0.00 0.00 66.02 66.45 2i4i s SER 470 CO 0.27 -0.56 -0.03 -0.63 0.98 0.00 0.00 173.24 173.27 2i4i s ILE 471 N -2.59 0.37 0.25 -1.02 1.01 0.31 -4.87 121.20 114.65 2i4i s ILE 471 Ca -0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 60.65 60.55 2i4i s ILE 471 Cb -0.01 -0.41 0.00 0.00 0.01 0.00 0.00 42.46 42.06 2i4i s ILE 471 CO -0.04 0.18 0.34 0.00 0.00 0.00 0.00 174.94 175.41 2i4i n HIS 472 N 3.93 -1.12 0.23 3.97 1.44 -1.26 -3.09 115.22 119.32 2i4i n HIS 472 Ca -0.25 -1.72 0.08 0.00 -2.01 0.00 0.00 57.72 53.82 2i4i n HIS 472 Cb 0.51 0.38 0.54 0.00 0.12 0.00 0.00 29.99 31.55 2i4i n HIS 472 CO 0.00 0.00 0.00 0.78 -2.81 0.00 0.00 176.34 174.31 2i4i h GLY 473 N 1.42 0.00 0.11 -1.39 0.00 -1.94 -2.54 103.07 98.72 2i4i h GLY 473 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.14 2i4i h GLY 473 CO 0.26 0.00 -0.04 1.22 0.00 0.00 0.00 176.54 177.99 2i4i n ASP 474 N -3.93 0.98 -4.76 0.19 8.00 -1.26 -4.87 116.55 110.90 2i4i n ASP 474 Ca -0.02 -1.21 -0.40 0.00 0.71 0.00 0.00 54.79 53.87 2i4i n ASP 474 Cb 0.30 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.37 2i4i n ASP 474 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2i4i s ARG 475 N -2.11 4.43 0.87 -1.24 1.81 -0.96 -5.05 118.95 116.71 2i4i s ARG 475 Ca 0.38 1.94 -0.11 0.00 -1.72 0.00 0.00 55.73 56.22 2i4i s ARG 475 Cb 0.21 -3.05 0.11 0.00 -0.45 0.00 0.00 34.95 31.78 2i4i s ARG 475 CO 0.38 -0.02 1.09 -1.54 -0.68 0.00 0.00 175.30 174.53 2i4i s SER 476 N -0.81 3.65 0.23 0.23 1.04 -1.26 -4.84 113.70 111.94 2i4i s SER 476 Ca 0.48 1.67 -0.08 0.00 0.48 0.00 0.00 55.95 58.51 2i4i s SER 476 Cb -0.34 -2.34 0.26 0.00 0.10 0.00 0.00 66.02 63.70 2i4i s SER 476 CO 0.44 -2.55 1.86 -0.61 0.98 0.00 0.00 173.24 173.35 2i4i h GLN 477 N -1.49 0.92 0.05 4.02 5.75 -1.99 -1.09 115.11 121.28 2i4i h GLN 477 Ca -0.47 -0.06 0.01 0.00 -0.15 0.00 0.00 58.65 57.98 2i4i h GLN 477 Cb 1.27 -0.21 -0.02 0.00 1.07 0.00 0.00 27.48 29.59 2i4i h GLN 477 CO 0.52 0.61 -0.11 -0.09 -2.65 0.00 0.00 178.83 177.11 2i4i h ARG 478 N 0.95 -0.20 -0.74 1.69 2.43 -1.99 -0.22 114.38 116.30 2i4i h ARG 478 Ca 0.33 0.01 0.13 0.00 -0.81 0.00 0.00 59.98 59.65 2i4i h ARG 478 Cb 0.07 0.05 -0.09 0.00 -0.42 0.00 0.00 29.97 29.58 2i4i h ARG 478 CO -0.14 -0.13 0.30 -0.44 -1.51 0.00 0.00 179.97 178.05 2i4i h ASP 479 N -0.21 0.29 -0.06 -3.80 3.32 -1.86 0.38 116.42 114.50 2i4i h ASP 479 Ca 0.02 0.10 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 2i4i h ASP 479 Cb 0.23 0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.85 2i4i h ASP 479 CO -0.07 0.12 0.02 -0.09 -1.72 0.00 0.00 179.24 177.50 2i4i h ARG 480 N 0.46 0.09 -0.63 3.56 2.43 -0.94 -1.25 114.38 118.10 2i4i h ARG 480 Ca 0.40 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.60 2i4i h ARG 480 Cb 0.58 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.06 2i4i h ARG 480 CO -0.38 0.23 0.36 0.93 -1.51 0.00 0.00 179.97 179.59 2i4i h GLU 481 N -0.07 0.66 -0.75 0.20 4.39 -0.64 -1.04 114.58 117.32 2i4i h GLU 481 Ca 0.02 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.66 2i4i h GLU 481 Cb 0.17 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.64 2i4i h GLU 481 CO -0.00 0.43 0.39 0.93 -1.16 0.00 0.00 179.01 179.60 2i4i h GLU 482 N 0.68 1.06 0.12 2.33 5.08 -0.84 -1.33 114.58 121.68 2i4i h GLU 482 Ca 0.28 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 2i4i h GLU 482 Cb 0.14 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.19 2i4i h GLU 482 CO -0.16 0.81 -0.06 0.00 -1.00 0.00 0.00 179.01 178.60 2i4i h ALA 483 N 1.20 -0.16 -0.72 3.43 0.00 -0.96 -2.76 119.26 119.28 2i4i h ALA 483 Ca 0.26 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 2i4i h ALA 483 Cb 0.08 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 2i4i h ALA 483 CO -0.04 -0.56 0.45 -0.07 0.00 0.00 0.00 179.25 179.03 2i4i h LEU 484 N -0.22 0.85 -0.26 0.00 3.38 -1.13 -1.28 115.31 116.66 2i4i h LEU 484 Ca -0.02 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2i4i h LEU 484 Cb 0.18 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2i4i h LEU 484 CO 0.03 0.64 0.16 -0.74 0.09 0.00 0.00 178.44 178.61 2i4i h HIS 485 N 0.98 0.33 -0.43 1.13 2.76 -1.20 0.96 115.15 119.69 2i4i h HIS 485 Ca 0.26 0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 58.31 2i4i h HIS 485 Cb -0.07 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 28.77 2i4i h HIS 485 CO 0.00 0.24 -0.21 1.96 -1.30 0.00 0.00 177.93 178.63 2i4i h GLN 486 N 0.33 0.90 0.32 5.26 4.20 -1.25 -1.68 115.11 123.18 2i4i h GLN 486 Ca 0.09 -0.39 -0.02 0.00 0.06 0.00 0.00 58.65 58.39 2i4i h GLN 486 Cb 0.00 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.76 2i4i h GLN 486 CO -0.02 1.04 -0.15 0.35 -0.67 0.00 0.00 178.83 179.38 2i4i h PHE 487 N 0.72 -0.40 -0.30 2.96 3.57 -1.16 -0.79 116.94 121.53 2i4i h PHE 487 Ca 0.10 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.55 2i4i h PHE 487 Cb 0.77 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.63 2i4i h PHE 487 CO 0.06 -0.21 0.03 0.00 -2.23 0.00 0.00 178.31 175.96 2i4i h ARG 488 N -0.50 0.45 0.00 1.11 3.08 -0.77 -0.10 114.38 117.66 2i4i h ARG 488 Ca -0.04 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.93 2i4i h ARG 488 Cb 0.37 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.35 2i4i h ARG 488 CO 0.07 0.46 0.00 0.66 -1.07 0.00 0.00 179.97 180.09 2i4i h SER 489 N 0.44 0.00 0.00 7.04 4.64 -1.37 -3.47 113.55 120.83 2i4i h SER 489 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 2i4i h SER 489 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 2i4i h SER 489 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 2i4i n GLY 490 N 0.78 0.31 0.31 -0.77 0.00 -0.05 -4.92 105.19 100.85 2i4i n GLY 490 Ca 0.04 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.11 2i4i n GLY 490 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2i4i h LYS 491 N 0.68 0.71 -2.84 1.61 1.79 -1.55 -3.31 116.57 113.66 2i4i h LYS 491 Ca 0.00 -0.04 -0.61 0.00 -2.18 0.00 0.00 60.65 57.82 2i4i h LYS 491 Cb 0.39 -0.16 -0.41 0.00 -1.58 0.00 0.00 32.23 30.47 2i4i h LYS 491 CO 0.00 0.47 -0.70 0.43 -1.08 0.00 0.00 179.45 178.57 2i4i n SER 492 N -4.79 1.97 0.00 0.86 7.64 -0.40 -4.81 113.62 114.08 2i4i n SER 492 Ca 0.15 -2.96 0.08 0.00 1.01 0.00 0.00 58.87 57.16 2i4i n SER 492 Cb 0.35 -0.69 0.50 0.00 -1.01 0.00 0.00 64.21 63.35 2i4i n SER 492 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2i4i n PRO 493 N 2.19 0.79 -3.97 1.43 -0.04 -1.23 -3.54 135.00 130.63 2i4i n PRO 493 Ca 0.23 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.35 2i4i n PRO 493 Cb 0.39 -1.33 -0.15 0.00 -0.04 0.00 0.00 33.50 32.37 2i4i n PRO 493 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2i4i s ILE 494 N -2.00 2.94 -0.24 0.52 1.01 -1.23 -0.44 121.20 121.76 2i4i s ILE 494 Ca 0.25 -0.71 -0.07 0.00 0.00 0.00 0.00 60.65 60.13 2i4i s ILE 494 Cb 0.12 -2.35 -0.02 0.00 0.01 0.00 0.00 42.46 40.21 2i4i s ILE 494 CO 0.19 0.41 0.05 -0.22 0.00 0.00 0.00 174.94 175.37 2i4i s LEU 495 N 1.40 3.34 -0.13 2.97 2.96 -0.01 -0.52 118.68 128.69 2i4i s LEU 495 Ca 0.05 -0.25 -0.19 0.00 -0.22 0.00 0.00 54.13 53.52 2i4i s LEU 495 Cb -0.14 -1.89 -0.04 0.00 0.50 0.00 0.00 46.19 44.62 2i4i s LEU 495 CO -0.06 -0.03 0.52 -0.69 -1.32 0.00 0.00 176.35 174.76 2i4i s VAL 496 N 1.59 5.15 -0.02 1.68 1.01 0.02 -0.05 120.40 129.78 2i4i s VAL 496 Ca 0.06 1.02 -0.08 0.00 0.00 0.00 0.00 61.98 62.98 2i4i s VAL 496 Cb -0.15 -3.85 0.01 0.00 0.00 0.00 0.00 36.38 32.39 2i4i s VAL 496 CO 0.02 0.28 0.18 0.00 0.00 0.00 0.00 175.10 175.59 2i4i s ALA 497 N 0.87 -0.44 0.53 5.51 0.00 -0.19 -0.53 121.76 127.50 2i4i s ALA 497 Ca 0.27 0.15 -0.16 0.00 0.00 0.00 0.00 51.96 52.21 2i4i s ALA 497 Cb -0.15 -0.03 -0.07 0.00 0.00 0.00 0.00 23.12 22.86 2i4i s ALA 497 CO 0.11 -0.18 1.00 0.95 0.00 0.00 0.00 175.76 177.64 2i4i s THR 498 N -0.92 4.43 0.20 0.00 -4.23 -1.18 -1.39 115.64 112.55 2i4i s THR 498 Ca -0.10 1.17 -0.08 0.00 -1.18 0.00 0.00 61.69 61.49 2i4i s THR 498 Cb -0.05 -3.67 0.13 0.00 1.34 0.00 0.00 72.50 70.24 2i4i s THR 498 CO 0.02 -0.66 1.74 0.00 -0.54 0.00 0.00 174.62 175.17 2i4i h ALA 499 N 0.85 0.96 -0.29 3.99 0.00 -1.89 -2.62 119.26 120.26 2i4i h ALA 499 Ca -0.47 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.22 2i4i h ALA 499 Cb 1.19 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2i4i h ALA 499 CO 0.61 0.64 0.18 -0.24 0.00 0.00 0.00 179.25 180.44 2i4i h VAL 500 N 1.09 1.08 -0.05 0.00 3.04 -1.95 -1.89 116.25 117.56 2i4i h VAL 500 Ca 0.24 -0.18 -0.22 0.00 -1.01 0.00 0.00 66.70 65.53 2i4i h VAL 500 Cb 0.31 0.67 0.01 0.00 -2.01 0.00 0.00 31.29 30.27 2i4i h VAL 500 CO -0.01 0.08 -0.88 0.00 -1.01 0.00 0.00 177.57 175.76 2i4i h ALA 501 N 1.80 0.36 0.00 3.17 0.00 -1.82 -3.28 119.26 119.49 2i4i h ALA 501 Ca 0.11 -0.66 -0.08 0.00 0.00 0.00 0.00 54.91 54.28 2i4i h ALA 501 Cb -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2i4i h ALA 501 CO -0.02 0.75 -0.38 0.00 0.00 0.00 0.00 179.25 179.60 2i4i h ALA 502 N 0.67 0.92 -2.27 0.00 0.00 -1.04 -3.45 119.26 114.09 2i4i h ALA 502 Ca -0.07 -0.34 -0.59 0.00 0.00 0.00 0.00 54.91 53.91 2i4i h ALA 502 Cb 1.50 -0.06 0.07 0.00 0.00 0.00 0.00 17.79 19.30 2i4i h ALA 502 CO 0.16 0.47 0.73 0.54 0.00 0.00 0.00 179.25 181.15 2i4i n ARG 503 N -3.43 2.08 0.00 0.00 1.74 -0.77 -2.43 116.66 113.85 2i4i n ARG 503 Ca 0.00 0.75 0.00 0.00 -0.77 0.00 0.00 57.85 57.83 2i4i n ARG 503 Cb 0.55 -2.48 0.00 0.00 -1.02 0.00 0.00 32.46 29.51 2i4i n ARG 503 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2i4i n GLY 504 N 2.96 3.06 3.92 -0.13 0.00 -1.26 -5.04 105.19 108.69 2i4i n GLY 504 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 2i4i n GLY 504 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2i4i s LEU 505 N 0.00 4.21 -0.70 0.99 1.43 -1.02 -4.57 118.68 119.01 2i4i s LEU 505 Ca 0.00 0.50 -0.27 0.00 -1.03 0.00 0.00 54.13 53.33 2i4i s LEU 505 Cb 0.00 -3.26 0.03 0.00 0.03 0.00 0.00 46.19 42.99 2i4i s LEU 505 CO 0.00 -0.04 1.23 -0.62 0.23 0.00 0.00 176.35 177.14 2i4i s ASP 506 N -2.99 6.21 -0.23 2.29 -1.08 -1.26 -4.91 116.67 114.71 2i4i s ASP 506 Ca 0.40 -0.40 -0.04 0.00 -0.52 0.00 0.00 52.55 51.99 2i4i s ASP 506 Cb -0.11 -2.54 0.09 0.00 -1.46 0.00 0.00 42.92 38.89 2i4i s ASP 506 CO 0.28 -1.73 0.15 0.27 0.52 0.00 0.00 175.17 174.66 2i4i s ILE 507 N 5.42 -0.17 0.01 4.11 -4.36 -1.26 -5.04 121.20 119.91 2i4i s ILE 507 Ca 0.35 -0.38 -0.03 0.00 -0.26 0.00 0.00 60.65 60.33 2i4i s ILE 507 Cb -0.09 -0.77 -0.01 0.00 1.25 0.00 0.00 42.46 42.84 2i4i s ILE 507 CO 0.16 -0.43 -0.05 -1.54 0.24 0.00 0.00 174.94 173.32 2i4i n SER 508 N 5.28 0.68 -1.13 4.36 3.41 -1.26 -4.75 113.62 120.21 2i4i n SER 508 Ca -0.06 0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 2i4i n SER 508 Cb 0.47 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 2i4i n SER 508 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2i4i n ASN 509 N -3.14 1.54 -4.67 4.04 2.04 -1.26 -4.49 115.26 109.32 2i4i n ASN 509 Ca -0.02 -1.03 -0.43 0.00 -0.44 0.00 0.00 54.58 52.66 2i4i n ASN 509 Cb 0.08 -0.27 -0.02 0.00 -2.53 0.00 0.00 39.78 37.03 2i4i n ASN 509 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 2i4i s VAL 510 N 0.64 4.07 -0.20 3.53 1.01 -1.26 -4.32 120.40 123.87 2i4i s VAL 510 Ca 0.00 1.33 0.18 0.00 0.00 0.00 0.00 61.98 63.49 2i4i s VAL 510 Cb 0.00 -3.85 0.02 0.00 0.00 0.00 0.00 36.38 32.54 2i4i s VAL 510 CO 0.00 -0.09 1.16 0.11 0.00 0.00 0.00 175.10 176.27 2i4i h LYS 511 N 8.38 0.00 -2.90 2.72 1.57 -1.59 -3.17 116.57 121.58 2i4i h LYS 511 Ca -0.31 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.21 2i4i h LYS 511 Cb 1.13 0.00 -0.34 0.00 0.08 0.00 0.00 32.23 33.10 2i4i h LYS 511 CO 0.95 0.24 -0.58 -1.58 -0.57 0.00 0.00 179.45 177.91 2i4i s HIS 512 N -3.08 -0.31 -0.20 -1.35 2.46 -1.09 -2.39 115.29 109.34 2i4i s HIS 512 Ca 0.01 0.73 -0.09 0.00 0.47 0.00 0.00 55.06 56.18 2i4i s HIS 512 Cb 0.08 -0.17 -0.05 0.00 -0.13 0.00 0.00 32.58 32.32 2i4i s HIS 512 CO 0.77 -0.36 0.10 0.08 -2.47 0.00 0.00 174.74 172.86 2i4i s VAL 513 N 2.36 5.12 -0.23 0.89 1.01 -0.08 -0.76 120.40 128.70 2i4i s VAL 513 Ca 0.03 0.09 -0.00 0.00 0.00 0.00 0.00 61.98 62.09 2i4i s VAL 513 Cb -0.13 -3.33 0.03 0.00 0.00 0.00 0.00 36.38 32.95 2i4i s VAL 513 CO -0.08 0.43 -0.10 -0.63 0.00 0.00 0.00 175.10 174.72 2i4i s ILE 514 N 0.48 2.58 -1.12 2.22 1.01 0.53 -1.18 121.20 125.72 2i4i s ILE 514 Ca 0.06 -1.09 -0.18 0.00 0.00 0.00 0.00 60.65 59.44 2i4i s ILE 514 Cb -0.12 -2.29 0.11 0.00 0.01 0.00 0.00 42.46 40.17 2i4i s ILE 514 CO -0.00 0.25 1.44 0.20 0.00 0.00 0.00 174.94 176.82 2i4i s ASN 515 N 1.28 6.77 0.18 3.58 0.01 0.22 -0.38 114.94 126.60 2i4i s ASN 515 Ca -0.00 -2.26 -0.13 0.00 -0.71 0.00 0.00 52.86 49.76 2i4i s ASN 515 Cb -0.16 -2.48 0.09 0.00 0.41 0.00 0.00 41.25 39.10 2i4i s ASN 515 CO -0.07 -1.11 1.83 0.15 -1.51 0.00 0.00 177.10 176.39 2i4i h PHE 516 N 8.30 0.76 -4.32 2.20 3.57 -1.61 0.11 116.94 125.95 2i4i h PHE 516 Ca 0.28 0.01 -0.70 0.00 3.53 0.00 0.00 57.97 61.09 2i4i h PHE 516 Cb 0.94 -0.25 -0.27 0.00 2.79 0.00 0.00 35.95 39.16 2i4i h PHE 516 CO 1.24 0.50 -0.84 -0.51 -2.23 0.00 0.00 178.31 176.48 2i4i s ASP 517 N -5.78 3.50 0.35 0.41 1.01 -1.02 -4.53 116.67 110.60 2i4i s ASP 517 Ca -0.13 -0.36 -0.17 0.00 0.71 0.00 0.00 52.55 52.60 2i4i s ASP 517 Cb 0.13 -0.56 -0.09 0.00 1.01 0.00 0.00 42.92 43.41 2i4i s ASP 517 CO 0.76 0.32 0.79 -0.76 0.21 0.00 0.00 175.17 176.49 2i4i s LEU 518 N -0.75 4.04 0.98 1.23 1.43 -1.26 -4.68 118.68 119.67 2i4i s LEU 518 Ca 0.11 1.38 -0.14 0.00 -1.03 0.00 0.00 54.13 54.45 2i4i s LEU 518 Cb -0.10 -4.18 0.18 0.00 0.03 0.00 0.00 46.19 42.11 2i4i s LEU 518 CO 0.00 -0.24 1.16 -2.16 0.23 0.00 0.00 176.35 175.34 2i4i s PRO 519 N -3.01 0.56 0.27 1.29 0.04 -1.26 -4.98 135.00 127.91 2i4i s PRO 519 Ca 0.56 0.12 0.24 0.00 0.04 0.00 0.00 61.00 61.96 2i4i s PRO 519 Cb -0.10 -1.79 0.47 0.00 0.04 0.00 0.00 34.50 33.13 2i4i s PRO 519 CO 0.16 -2.56 1.55 0.66 0.04 0.00 0.00 177.00 176.86 2i4i h SER 520 N -1.75 0.00 -4.50 6.66 4.64 -1.98 -3.46 113.55 113.16 2i4i h SER 520 Ca -0.49 -0.04 -0.65 0.00 -0.47 0.00 0.00 61.79 60.14 2i4i h SER 520 Cb 1.31 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 63.10 2i4i h SER 520 CO 0.53 0.02 -0.87 -1.81 -0.87 0.00 0.00 176.83 173.83 2i4i s ASP 521 N -5.12 2.72 0.48 4.97 1.01 -1.26 -4.68 116.67 114.80 2i4i s ASP 521 Ca 0.07 -0.43 0.20 0.00 0.71 0.00 0.00 52.55 53.11 2i4i s ASP 521 Cb 0.10 -0.30 1.22 0.00 1.01 0.00 0.00 42.92 44.95 2i4i s ASP 521 CO 0.67 0.28 2.04 -0.29 0.21 0.00 0.00 175.17 178.07 2i4i h ILE 522 N 4.54 0.89 -0.24 0.77 6.09 -1.94 -2.36 117.51 125.26 2i4i h ILE 522 Ca -0.41 -0.56 0.04 0.00 -1.37 0.00 0.00 64.86 62.55 2i4i h ILE 522 Cb 1.13 1.32 -0.04 0.00 0.47 0.00 0.00 36.82 39.71 2i4i h ILE 522 CO 0.47 0.15 0.01 -0.33 -3.07 0.00 0.00 178.15 175.38 2i4i h GLU 523 N 0.00 0.08 -0.49 2.19 3.07 -2.00 -1.42 114.58 116.01 2i4i h GLU 523 Ca -0.00 -0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.80 2i4i h GLU 523 Cb 0.31 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.18 2i4i h GLU 523 CO 0.02 0.05 0.08 1.49 -1.40 0.00 0.00 179.01 179.25 2i4i h GLU 524 N 0.08 0.76 -0.15 2.33 4.81 -1.86 -2.75 114.58 117.80 2i4i h GLU 524 Ca 0.11 -0.17 0.02 0.00 -0.13 0.00 0.00 59.36 59.20 2i4i h GLU 524 Cb 0.14 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 2i4i h GLU 524 CO -0.18 0.72 0.01 -0.92 -0.73 0.00 0.00 179.01 177.91 2i4i h TYR 525 N 0.73 0.02 -0.62 0.92 3.20 -1.22 -1.67 116.97 118.33 2i4i h TYR 525 Ca 0.16 0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.09 2i4i h TYR 525 Cb 0.33 0.01 -0.05 0.00 1.54 0.00 0.00 36.73 38.56 2i4i h TYR 525 CO 0.02 -0.00 0.33 0.28 -1.64 0.00 0.00 178.16 177.14 2i4i h VAL 526 N 0.07 0.95 -0.45 1.81 2.07 -1.09 -1.68 116.25 117.92 2i4i h VAL 526 Ca 0.07 -0.21 -0.11 0.00 0.82 0.00 0.00 66.70 67.27 2i4i h VAL 526 Cb 0.07 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 2i4i h VAL 526 CO -0.11 0.11 -0.14 0.45 0.02 0.00 0.00 177.57 177.91 2i4i h HIS 527 N 0.61 1.00 0.16 1.57 3.86 -1.39 -1.59 115.15 119.38 2i4i h HIS 527 Ca 0.28 -0.23 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 2i4i h HIS 527 Cb 0.19 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.41 2i4i h HIS 527 CO -0.09 1.00 -0.15 0.00 0.86 0.00 0.00 177.93 179.54 2i4i h ARG 528 N 0.72 -0.33 0.00 2.45 3.08 -1.13 -2.95 114.38 116.23 2i4i h ARG 528 Ca 0.11 0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.17 2i4i h ARG 528 Cb 0.69 0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.81 2i4i h ARG 528 CO 0.05 -0.22 -0.08 -0.84 -1.07 0.00 0.00 179.97 177.81 2i4i h ILE 529 N -0.34 0.20 0.00 2.04 3.07 -1.32 -2.67 117.51 118.49 2i4i h ILE 529 Ca -0.00 -0.78 0.00 0.00 1.55 0.00 0.00 64.86 65.63 2i4i h ILE 529 Cb 0.32 1.65 0.00 0.00 -0.27 0.00 0.00 36.82 38.52 2i4i h ILE 529 CO -0.03 0.08 0.00 0.61 -1.05 0.00 0.00 178.15 177.76 2i4i n GLY 530 N 0.18 -0.24 0.06 0.16 0.00 -0.60 -2.24 105.19 102.50 2i4i n GLY 530 Ca 0.01 -0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.14 2i4i n GLY 530 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2i4i n ARG 531 N -1.19 0.21 -4.05 1.61 5.12 -1.01 -4.07 116.66 113.29 2i4i n ARG 531 Ca 0.01 0.10 -0.31 0.00 -1.93 0.00 0.00 57.85 55.72 2i4i n ARG 531 Cb 0.01 -1.67 -0.06 0.00 -1.16 0.00 0.00 32.46 29.57 2i4i n ARG 531 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 2i4i s THR 532 N -3.11 4.62 -0.95 0.55 -1.32 -0.95 -4.14 115.64 110.34 2i4i s THR 532 Ca 0.09 -0.69 -0.09 0.00 -1.21 0.00 0.00 61.69 59.79 2i4i s THR 532 Cb 0.14 -3.21 -0.01 0.00 -1.51 0.00 0.00 72.50 67.91 2i4i s THR 532 CO 0.66 0.16 0.75 0.61 -2.21 0.00 0.00 174.62 174.59 2i4i n GLY 533 N 0.55 -1.15 0.22 6.08 0.00 -1.20 -4.78 105.19 104.90 2i4i n GLY 533 Ca -0.09 0.51 0.14 0.00 0.00 0.00 0.00 46.02 46.58 2i4i n GLY 533 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2i4i n ARG 534 N -3.05 0.99 -0.00 1.61 1.74 -1.26 -4.61 116.66 112.08 2i4i n ARG 534 Ca -0.10 -0.44 -0.00 0.00 -0.77 0.00 0.00 57.85 56.54 2i4i n ARG 534 Cb 0.59 -1.49 -0.00 0.00 -1.02 0.00 0.00 32.46 30.53 2i4i n ARG 534 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2i4i n ASN 537 N -0.62 4.29 -4.75 0.55 5.03 -1.26 -4.98 115.26 113.51 2i4i n ASN 537 Ca 0.16 -0.00 -0.41 0.00 0.87 0.00 0.00 54.58 55.20 2i4i n ASN 537 Cb 0.29 0.17 -0.03 0.00 -1.02 0.00 0.00 39.78 39.19 2i4i n ASN 537 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 2i4i s LEU 538 N -4.69 4.47 0.05 3.41 2.96 -1.26 -4.85 118.68 118.77 2i4i s LEU 538 Ca -0.00 2.38 -0.04 0.00 -0.22 0.00 0.00 54.13 56.24 2i4i s LEU 538 Cb 0.00 -3.62 -0.02 0.00 0.50 0.00 0.00 46.19 43.05 2i4i s LEU 538 CO 0.01 -0.36 0.07 -0.83 -1.32 0.00 0.00 176.35 173.92 2i4i s GLY 539 N -0.31 0.24 -0.03 7.98 0.00 -0.91 -4.26 107.32 110.02 2i4i s GLY 539 Ca 0.50 -0.72 0.01 0.00 0.00 0.00 0.00 44.72 44.50 2i4i s GLY 539 CO 0.42 -0.85 -0.03 -2.27 0.00 0.00 0.00 173.10 170.37 2i4i s LEU 540 N -2.36 1.38 -0.13 0.66 0.20 -1.00 -1.34 118.68 116.08 2i4i s LEU 540 Ca -0.02 -0.08 -0.00 0.00 0.69 0.00 0.00 54.13 54.72 2i4i s LEU 540 Cb 0.01 -0.32 0.03 0.00 -0.43 0.00 0.00 46.19 45.48 2i4i s LEU 540 CO -0.06 -0.05 -0.09 0.00 -0.29 0.00 0.00 176.35 175.85 2i4i s ALA 541 N 0.78 1.53 -0.14 5.97 0.00 0.19 -0.90 121.76 129.19 2i4i s ALA 541 Ca -0.09 -0.71 -0.01 0.00 0.00 0.00 0.00 51.96 51.15 2i4i s ALA 541 Cb -0.12 -0.99 -0.01 0.00 0.00 0.00 0.00 23.12 21.99 2i4i s ALA 541 CO -0.01 -0.47 -0.12 0.99 0.00 0.00 0.00 175.76 176.16 2i4i s THR 542 N 1.62 3.14 -0.07 0.00 2.01 -0.32 -0.38 115.64 121.64 2i4i s THR 542 Ca 0.04 -0.63 0.04 0.00 0.31 0.00 0.00 61.69 61.45 2i4i s THR 542 Cb -0.13 -2.33 0.00 0.00 0.01 0.00 0.00 72.50 70.05 2i4i s THR 542 CO -0.09 0.51 -0.18 -0.44 -0.69 0.00 0.00 174.62 173.73 2i4i s SER 543 N 0.45 2.37 -0.16 3.53 0.01 -0.00 -0.61 113.70 119.29 2i4i s SER 543 Ca -0.09 -0.40 -0.15 0.00 1.31 0.00 0.00 55.95 56.61 2i4i s SER 543 Cb -0.16 -0.89 -0.04 0.00 0.21 0.00 0.00 66.02 65.14 2i4i s SER 543 CO 0.04 0.13 0.37 -0.36 0.41 0.00 0.00 173.24 173.83 2i4i s PHE 544 N 0.27 3.46 -0.04 2.43 0.08 0.37 -1.70 117.98 122.86 2i4i s PHE 544 Ca -0.11 0.68 0.03 0.00 0.12 0.00 0.00 56.93 57.65 2i4i s PHE 544 Cb -0.15 -2.44 0.00 0.00 -0.57 0.00 0.00 43.02 39.87 2i4i s PHE 544 CO 0.04 0.16 -0.12 0.12 -0.10 0.00 0.00 175.22 175.32 2i4i s PHE 545 N 0.69 1.33 0.00 0.36 5.36 -0.26 -4.10 117.98 121.37 2i4i s PHE 545 Ca 0.20 -0.40 0.00 0.00 -0.96 0.00 0.00 56.93 55.77 2i4i s PHE 545 Cb -0.14 -0.94 0.00 0.00 -0.34 0.00 0.00 43.02 41.60 2i4i s PHE 545 CO 0.06 -0.17 0.00 0.27 -1.46 0.00 0.00 175.22 173.92 2i4i n ASN 546 N 3.40 0.00 0.24 6.13 0.23 -1.26 -0.66 115.26 123.34 2i4i n ASN 546 Ca -0.20 0.00 0.07 0.00 -0.53 0.00 0.00 54.58 53.93 2i4i n ASN 546 Cb 0.53 0.00 0.60 0.00 -2.08 0.00 0.00 39.78 38.83 2i4i n ASN 546 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 2i4i h GLU 547 N 0.00 0.04 0.00 -3.83 4.81 -2.00 -1.15 114.58 112.44 2i4i h GLU 547 Ca 0.00 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2i4i h GLU 547 Cb 0.00 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.37 2i4i h GLU 547 CO 0.00 0.05 0.01 0.00 -0.73 0.00 0.00 179.01 178.34 2i4i h ARG 548 N 0.04 0.00 -0.45 1.92 3.08 -1.99 -2.75 114.38 114.22 2i4i h ARG 548 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2i4i h ARG 548 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 2i4i h ARG 548 CO 0.00 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 178.99 2i4i n ASN 549 N -2.94 3.21 -0.40 7.04 4.13 -0.43 -4.66 115.26 121.20 2i4i n ASN 549 Ca -0.03 -1.99 0.34 0.00 1.68 0.00 0.00 54.58 54.58 2i4i n ASN 549 Cb 0.07 -0.30 0.65 0.00 -1.54 0.00 0.00 39.78 38.66 2i4i n ASN 549 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 2i4i h ILE 550 N 2.71 0.31 0.00 2.41 1.08 -1.58 -2.51 117.51 119.92 2i4i h ILE 550 Ca 0.00 -0.05 -0.05 0.00 -0.39 0.00 0.00 64.86 64.37 2i4i h ILE 550 Cb 0.80 0.15 -0.01 0.00 -3.07 0.00 0.00 36.82 34.70 2i4i h ILE 550 CO 0.00 0.03 -0.22 0.78 -0.69 0.00 0.00 178.15 178.05 2i4i h ASN 551 N 0.15 0.00 -0.24 1.72 2.35 -1.87 -2.17 115.58 115.51 2i4i h ASN 551 Ca 0.70 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.45 2i4i h ASN 551 Cb 2.31 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.68 2i4i h ASN 551 CO -0.22 0.22 0.00 2.30 -1.65 0.00 0.00 177.43 178.08 2i4i n ILE 552 N -3.41 0.30 -0.16 2.81 -5.35 -0.95 -4.65 119.36 107.96 2i4i n ILE 552 Ca -0.00 -0.48 -0.09 0.00 -0.27 0.00 0.00 62.75 61.91 2i4i n ILE 552 Cb 0.42 0.60 -0.04 0.00 -1.74 0.00 0.00 39.64 38.87 2i4i n ILE 552 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 2i4i h THR 553 N 3.01 0.10 -0.30 7.28 2.02 -1.50 0.97 112.91 124.50 2i4i h THR 553 Ca 0.00 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.06 2i4i h THR 553 Cb 0.66 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 2i4i h THR 553 CO 0.00 0.00 -0.27 0.11 0.37 0.00 0.00 175.52 175.73 2i4i h LYS 554 N -0.28 0.71 -0.44 6.66 1.57 -1.82 -0.66 116.57 122.31 2i4i h LYS 554 Ca 0.16 -0.36 -0.07 0.00 -1.87 0.00 0.00 60.65 58.51 2i4i h LYS 554 Cb 0.57 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 2i4i h LYS 554 CO -0.63 0.97 -0.02 -0.44 -0.57 0.00 0.00 179.45 178.77 2i4i h ASP 555 N 0.45 0.69 -0.28 0.86 3.32 -1.80 0.48 116.42 120.14 2i4i h ASP 555 Ca 0.05 -0.17 -0.11 0.00 0.02 0.00 0.00 57.03 56.83 2i4i h ASP 555 Cb 0.83 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.19 2i4i h ASP 555 CO 0.07 0.78 -0.24 0.25 -1.72 0.00 0.00 179.24 178.38 2i4i h LEU 556 N 0.68 0.70 -0.23 1.55 5.85 -0.63 -0.98 115.31 122.26 2i4i h LEU 556 Ca 0.13 -0.46 0.04 0.00 0.84 0.00 0.00 57.88 58.44 2i4i h LEU 556 Cb 0.45 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 2i4i h LEU 556 CO 0.02 1.01 -0.01 0.25 -0.34 0.00 0.00 178.44 179.37 2i4i h LEU 557 N 0.40 -0.10 -0.63 2.25 5.85 -0.91 0.07 115.31 122.24 2i4i h LEU 557 Ca 0.05 0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.87 2i4i h LEU 557 Cb 0.79 0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.87 2i4i h LEU 557 CO 0.06 -0.02 0.35 0.44 -0.34 0.00 0.00 178.44 178.93 2i4i h ASP 558 N 0.06 0.52 -0.32 1.25 3.32 -0.73 -1.68 116.42 118.86 2i4i h ASP 558 Ca 0.11 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.17 2i4i h ASP 558 Cb 0.14 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 2i4i h ASP 558 CO -0.19 0.35 0.13 0.25 -1.72 0.00 0.00 179.24 178.06 2i4i h LEU 559 N 0.66 0.43 -0.34 1.55 5.85 -0.89 -1.66 115.31 120.91 2i4i h LEU 559 Ca 0.28 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 2i4i h LEU 559 Cb 0.15 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 2i4i h LEU 559 CO -0.17 0.48 0.20 -0.07 -0.34 0.00 0.00 178.44 178.54 2i4i h LEU 560 N 0.37 0.41 -0.30 2.25 3.38 -0.67 -1.64 115.31 119.10 2i4i h LEU 560 Ca 0.11 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.05 2i4i h LEU 560 Cb 0.17 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 2i4i h LEU 560 CO -0.01 0.35 0.12 0.58 0.09 0.00 0.00 178.44 179.57 2i4i h VAL 561 N 0.44 0.95 -0.97 1.22 2.07 -1.31 -1.01 116.25 117.64 2i4i h VAL 561 Ca 0.12 -0.09 0.02 0.00 0.82 0.00 0.00 66.70 67.57 2i4i h VAL 561 Cb 0.01 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 30.39 2i4i h VAL 561 CO -0.02 0.05 0.64 -0.08 0.02 0.00 0.00 177.57 178.18 2i4i h GLU 562 N 0.27 1.26 -0.02 1.57 4.81 -1.15 -2.53 114.58 118.78 2i4i h GLU 562 Ca 0.13 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 2i4i h GLU 562 Cb 0.08 -0.28 0.00 0.00 0.63 0.00 0.00 28.75 29.17 2i4i h GLU 562 CO -0.12 0.83 0.00 0.00 -0.73 0.00 0.00 179.01 179.00 2i4i n ALA 563 N -2.38 2.63 -3.66 2.92 0.00 -0.63 -4.92 120.51 114.47 2i4i n ALA 563 Ca 0.12 -0.25 -0.22 0.00 0.00 0.00 0.00 53.44 53.08 2i4i n ALA 563 Cb 0.03 -1.36 0.05 0.00 0.00 0.00 0.00 19.45 18.18 2i4i n ALA 563 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2i4i n LYS 564 N -0.61 -5.91 -3.17 0.00 5.02 -0.93 -5.02 118.16 107.55 2i4i n LYS 564 Ca 0.20 0.70 -0.18 0.00 -2.02 0.00 0.00 58.31 57.01 2i4i n LYS 564 Cb 0.16 -5.51 0.00 0.00 -0.02 0.00 0.00 35.03 29.66 2i4i n LYS 564 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2i4i s GLN 565 N -5.98 2.81 0.02 1.97 -1.52 -0.43 -5.04 119.66 111.48 2i4i s GLN 565 Ca 0.20 -1.27 -0.30 0.00 -1.95 0.00 0.00 55.36 52.04 2i4i s GLN 565 Cb -0.10 -2.69 -0.06 0.00 -0.22 0.00 0.00 33.01 29.94 2i4i s GLN 565 CO 0.78 -0.21 1.42 -1.21 -0.25 0.00 0.00 175.29 175.82 2i4i s GLU 566 N -4.29 4.28 -0.31 2.91 0.41 -1.26 -4.69 118.70 115.76 2i4i s GLU 566 Ca 0.52 2.00 -0.11 0.00 -0.41 0.00 0.00 54.97 56.98 2i4i s GLU 566 Cb -0.09 -3.55 -0.03 0.00 -1.78 0.00 0.00 34.13 28.69 2i4i s GLU 566 CO 0.32 -0.57 0.19 0.08 -0.49 0.00 0.00 175.26 174.78 2i4i s VAL 567 N 2.30 5.07 0.33 2.63 1.01 -1.26 -4.79 120.40 125.69 2i4i s VAL 567 Ca 0.65 -0.13 -0.28 0.00 0.00 0.00 0.00 61.98 62.22 2i4i s VAL 567 Cb -0.33 -3.52 -0.12 0.00 0.00 0.00 0.00 36.38 32.42 2i4i s VAL 567 CO 0.27 0.12 1.35 -2.65 0.00 0.00 0.00 175.10 174.20 2i4i n PRO 568 N 5.05 2.23 -0.03 2.72 -0.02 -1.26 -4.88 135.00 138.81 2i4i n PRO 568 Ca -0.14 0.79 -0.01 0.00 -2.02 0.00 0.00 63.50 62.12 2i4i n PRO 568 Cb 0.50 -2.41 0.27 0.00 -0.02 0.00 0.00 33.50 31.85 2i4i n PRO 568 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 2i4i h SER 569 N 2.93 0.56 0.87 2.55 0.02 -1.98 -1.66 113.55 116.84 2i4i h SER 569 Ca -0.47 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.38 2i4i h SER 569 Cb 1.27 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.67 2i4i h SER 569 CO 0.65 0.61 0.00 4.11 -1.14 0.00 0.00 176.83 181.06 2i4i h TRP 570 N 0.57 0.00 0.10 3.45 5.08 -1.99 -1.69 115.95 121.47 2i4i h TRP 570 Ca 0.12 0.00 -0.16 0.00 1.08 0.00 0.00 58.89 59.94 2i4i h TRP 570 Cb 0.32 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 26.49 2i4i h TRP 570 CO 0.01 0.00 -0.72 1.25 -1.28 0.00 0.00 178.44 177.70 2i4i h LEU 571 N 0.00 0.33 -1.05 0.11 5.85 -1.67 -1.62 115.31 117.26 2i4i h LEU 571 Ca 0.00 -0.93 0.02 0.00 0.84 0.00 0.00 57.88 57.81 2i4i h LEU 571 Cb 0.44 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.31 2i4i h LEU 571 CO 0.00 1.34 0.64 1.05 -0.34 0.00 0.00 178.44 181.13 2i4i h GLU 572 N -0.53 1.24 0.21 1.25 4.11 -1.34 -1.67 114.58 117.85 2i4i h GLU 572 Ca -0.14 -0.07 0.00 0.00 0.07 0.00 0.00 59.36 59.22 2i4i h GLU 572 Cb 1.50 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 2i4i h GLU 572 CO 0.09 0.82 -0.19 -0.91 0.07 0.00 0.00 179.01 178.90 2i4i h ASN 573 N 1.28 -0.49 -0.67 3.06 2.35 -1.29 -3.07 115.58 116.75 2i4i h ASN 573 Ca 0.37 0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 56.16 2i4i h ASN 573 Cb -0.09 0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.41 2i4i h ASN 573 CO -0.09 -0.28 0.42 0.24 -1.65 0.00 0.00 177.43 176.06 2i4i h MET 574 N -0.42 0.91 -0.82 0.81 2.86 -1.19 -2.75 114.93 114.33 2i4i h MET 574 Ca -0.01 -0.07 0.22 0.00 -2.06 0.00 0.00 59.70 57.78 2i4i h MET 574 Cb 0.38 -0.20 -0.04 0.00 0.06 0.00 0.00 31.60 31.80 2i4i h MET 574 CO -0.03 0.64 0.57 0.00 1.06 0.00 0.00 176.91 179.15 2i4i h ALA 575 N 1.53 2.56 -0.34 6.32 0.00 -1.20 -2.35 119.26 125.77 2i4i h ALA 575 Ca 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2i4i h ALA 575 Cb -0.05 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2i4i h ALA 575 CO -0.05 -0.80 0.00 0.66 0.00 0.00 0.00 179.25 179.06 2i4i n TYR 576 N -4.37 0.79 -2.46 0.00 4.01 -1.04 -4.90 117.16 109.19 2i4i n TYR 576 Ca 0.17 -0.68 -0.42 0.00 -0.16 0.00 0.00 57.90 56.81 2i4i n TYR 576 Cb 0.80 -0.18 -0.03 0.00 -0.31 0.00 0.00 39.34 39.61 2i4i n TYR 576 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 2i4i s GLU 577 N -1.89 4.48 0.00 -0.72 2.56 -0.89 -4.95 118.70 117.29 2i4i s GLU 577 Ca 0.35 1.74 0.04 0.00 0.00 0.00 0.00 54.97 57.10 2i4i s GLU 577 Cb 0.24 -3.33 0.06 0.00 2.00 0.00 0.00 34.13 33.10 2i4i s GLU 577 CO 0.14 -0.17 0.81 0.72 -0.56 0.00 0.00 175.26 176.20 2i4i n HIS 578 N 3.53 0.07 -0.06 5.30 8.25 -1.26 -4.81 115.22 126.24 2i4i n HIS 578 Ca 0.07 -0.20 -0.07 0.00 -0.26 0.00 0.00 57.72 57.26 2i4i n HIS 578 Cb 0.47 -0.02 -0.08 0.00 1.12 0.00 0.00 29.99 31.48 2i4i n HIS 578 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2i4i n HIS 579 N 0.08 0.00 1.05 4.41 8.25 -1.26 -5.32 115.22 122.42 2i4i n HIS 579 Ca 0.03 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.57 2i4i n HIS 579 Cb 0.19 -0.53 0.50 0.00 1.12 0.00 0.00 29.99 31.26 2i4i n HIS 579 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96