#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k1q n ASN 189 N 0.00 0.41 -4.75 0.00 4.05 -1.26 -4.98 115.26 108.73 3k1q n ASN 189 Ca 0.00 -2.10 -0.40 0.00 0.45 0.00 0.00 54.58 52.53 3k1q n ASN 189 Cb 0.00 -0.46 0.03 0.00 1.23 0.00 0.00 39.78 40.58 3k1q n ASN 189 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3k1q n GLY 190 N 4.37 0.90 3.76 8.20 0.00 -1.26 -4.89 105.19 116.28 3k1q n GLY 190 Ca 0.21 0.14 -0.39 0.00 0.00 0.00 0.00 46.02 45.98 3k1q n GLY 190 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3k1q s PRO 191 N -2.56 3.66 -1.27 1.61 0.02 -1.26 -4.89 135.00 130.30 3k1q s PRO 191 Ca 0.64 2.25 -0.09 0.00 0.02 0.00 0.00 61.00 63.82 3k1q s PRO 191 Cb -0.44 -2.58 0.17 0.00 0.02 0.00 0.00 34.50 31.67 3k1q s PRO 191 CO 0.55 -0.78 1.87 0.39 -0.33 0.00 0.00 177.00 178.70 3k1q n GLU 192 N -0.30 3.67 -0.06 5.54 -0.58 -1.08 -4.78 120.64 123.05 3k1q n GLU 192 Ca 0.06 -3.57 -0.14 0.00 -0.42 0.00 0.00 57.16 53.09 3k1q n GLU 192 Cb 0.44 -2.90 -0.07 0.00 -0.57 0.00 0.00 31.44 28.34 3k1q n GLU 192 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 3k1q h LEU 193 N 7.71 0.50 -8.00 -4.62 4.07 -1.93 -3.44 115.31 109.59 3k1q h LEU 193 Ca 0.39 -0.51 -0.66 0.00 0.08 0.00 0.00 57.88 57.18 3k1q h LEU 193 Cb 0.62 -0.14 -0.14 0.00 1.08 0.00 0.00 40.66 42.08 3k1q h LEU 193 CO 1.62 0.91 1.23 0.27 -1.08 0.00 0.00 178.44 181.38 3k1q s ILE 194 N -4.19 4.39 -0.16 1.22 -0.00 -1.26 -4.98 121.20 116.22 3k1q s ILE 194 Ca -0.14 -1.35 -0.01 0.00 -0.00 0.00 0.00 60.65 59.16 3k1q s ILE 194 Cb 0.06 -4.93 -0.01 0.00 -0.00 0.00 0.00 42.46 37.58 3k1q s ILE 194 CO 0.78 -1.72 -0.12 -0.63 -0.00 0.00 0.00 174.94 173.25 3k1q s ILE 195 N 3.62 3.04 -0.16 8.37 -1.09 -1.26 -5.09 121.20 128.63 3k1q s ILE 195 Ca 0.40 -0.65 -0.02 0.00 -2.23 0.00 0.00 60.65 58.16 3k1q s ILE 195 Cb -0.02 -2.30 -0.01 0.00 -1.58 0.00 0.00 42.46 38.54 3k1q s ILE 195 CO -0.08 0.50 -0.10 -1.61 -1.23 0.00 0.00 174.94 172.42 3k1q s GLU 196 N 0.72 3.42 -0.22 2.79 8.01 -1.26 -0.42 118.70 131.74 3k1q s GLU 196 Ca -0.05 -0.65 -0.06 0.00 0.01 0.00 0.00 54.97 54.22 3k1q s GLU 196 Cb -0.15 -2.77 -0.03 0.00 -4.31 0.00 0.00 34.13 26.87 3k1q s GLU 196 CO 0.02 0.11 0.04 0.34 0.01 0.00 0.00 175.26 175.77 3k1q s ASP 197 N 0.65 5.06 0.27 -0.19 -1.08 0.22 -4.70 116.67 116.91 3k1q s ASP 197 Ca -0.05 -0.17 0.09 0.00 -0.52 0.00 0.00 52.55 51.90 3k1q s ASP 197 Cb -0.15 -1.89 -0.04 0.00 -1.46 0.00 0.00 42.92 39.38 3k1q s ASP 197 CO 0.02 0.03 0.02 0.42 0.52 0.00 0.00 175.17 176.19 3k1q s THR 198 N 1.20 3.47 0.00 1.71 -4.23 -1.26 -0.75 115.64 115.78 3k1q s THR 198 Ca 0.04 -1.87 0.00 0.00 -1.18 0.00 0.00 61.69 58.68 3k1q s THR 198 Cb -0.14 -2.89 0.00 0.00 1.34 0.00 0.00 72.50 70.81 3k1q s THR 198 CO 0.02 -0.36 0.00 0.61 -0.54 0.00 0.00 174.62 174.36 3k1q n GLY 199 N -0.93 1.56 3.07 3.99 0.00 -1.26 -0.44 105.19 111.18 3k1q n GLY 199 Ca -0.06 -0.78 -0.12 0.00 0.00 0.00 0.00 46.02 45.05 3k1q n GLY 199 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k1q s LEU 200 N 0.00 0.53 -1.27 0.99 1.43 0.18 -4.89 118.68 115.65 3k1q s LEU 200 Ca 0.00 0.52 -0.15 0.00 -1.03 0.00 0.00 54.13 53.48 3k1q s LEU 200 Cb 0.00 0.76 0.13 0.00 0.03 0.00 0.00 46.19 47.11 3k1q s LEU 200 CO 0.00 -0.15 1.65 0.00 0.23 0.00 0.00 176.35 178.08 3k1q s THR 202 N 2.38 -0.79 -0.81 0.00 -1.32 -1.26 -1.90 115.64 111.94 3k1q s THR 202 Ca 0.46 0.06 0.17 0.00 -1.21 0.00 0.00 61.69 61.17 3k1q s THR 202 Cb 0.02 -0.83 0.70 0.00 -1.51 0.00 0.00 72.50 70.88 3k1q s THR 202 CO 0.02 0.01 1.61 -1.20 -2.21 0.00 0.00 174.62 172.85 3k1q n SER 203 N 5.41 4.78 -4.13 8.08 7.64 -1.26 -3.81 113.62 130.32 3k1q n SER 203 Ca -0.08 -2.60 -0.20 0.00 1.01 0.00 0.00 58.87 57.00 3k1q n SER 203 Cb 0.50 -0.58 -0.14 0.00 -1.01 0.00 0.00 64.21 62.98 3k1q n SER 203 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3k1q s PHE 204 N -2.12 1.21 -0.16 1.43 0.40 -1.21 -2.08 117.98 115.44 3k1q s PHE 204 Ca 0.49 -0.33 -0.02 0.00 -0.60 0.00 0.00 56.93 56.47 3k1q s PHE 204 Cb 0.34 -0.73 -0.02 0.00 0.51 0.00 0.00 43.02 43.12 3k1q s PHE 204 CO 0.20 0.02 -0.08 1.41 0.70 0.00 0.00 175.22 177.48 3k1q s MET 205 N -0.97 3.47 -0.47 0.44 -2.45 0.02 -4.91 119.30 114.43 3k1q s MET 205 Ca 0.02 -0.62 -0.29 0.00 -1.25 0.00 0.00 55.69 53.56 3k1q s MET 205 Cb -0.07 -2.83 0.03 0.00 1.25 0.00 0.00 34.83 33.21 3k1q s MET 205 CO 0.01 0.11 1.16 -0.51 1.05 0.00 0.00 175.02 176.83 3k1q s LEU 206 N 0.68 3.63 -0.08 4.11 1.02 -1.26 -1.71 118.68 125.06 3k1q s LEU 206 Ca -0.04 0.49 0.02 0.00 0.02 0.00 0.00 54.13 54.62 3k1q s LEU 206 Cb -0.15 -3.55 0.01 0.00 0.02 0.00 0.00 46.19 42.53 3k1q s LEU 206 CO 0.02 -1.27 -0.12 -0.22 0.02 0.00 0.00 176.35 174.78 3k1q s LEU 207 N 4.54 1.61 0.04 1.79 2.96 -0.73 -4.91 118.68 123.97 3k1q s LEU 207 Ca 0.49 -0.33 -0.30 0.00 -0.22 0.00 0.00 54.13 53.76 3k1q s LEU 207 Cb -0.07 -0.90 -0.05 0.00 0.50 0.00 0.00 46.19 45.67 3k1q s LEU 207 CO 0.32 0.01 1.12 -0.62 -1.32 0.00 0.00 176.35 175.86 3k1q s ASP 208 N 0.87 7.18 -0.09 3.68 -1.08 -1.26 -0.27 116.67 125.70 3k1q s ASP 208 Ca -0.10 1.88 0.20 0.00 -0.52 0.00 0.00 52.55 54.01 3k1q s ASP 208 Cb -0.15 -2.58 -0.29 0.00 -1.46 0.00 0.00 42.92 38.44 3k1q s ASP 208 CO 0.01 -0.40 0.34 -3.20 0.52 0.00 0.00 175.17 172.45 3k1q n ASN 209 N 3.95 0.05 -3.23 -0.34 5.15 -0.13 -4.89 115.26 115.81 3k1q n ASN 209 Ca 0.08 0.02 -0.02 0.00 -0.60 0.00 0.00 54.58 54.06 3k1q n ASN 209 Cb 0.48 1.51 -0.03 0.00 -0.53 0.00 0.00 39.78 41.20 3k1q n ASN 209 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 3k1q s ILE 210 N -3.09 -0.83 0.79 -1.44 1.10 -0.75 -4.97 121.20 112.01 3k1q s ILE 210 Ca -0.08 -0.09 -0.11 0.00 -0.51 0.00 0.00 60.65 59.86 3k1q s ILE 210 Cb 0.11 -0.96 0.07 0.00 0.15 0.00 0.00 42.46 41.82 3k1q s ILE 210 CO 0.87 -0.10 1.09 -2.16 -2.11 0.00 0.00 174.94 172.53 3k1q s PRO 211 N 2.71 2.11 -0.25 3.50 0.04 -1.26 -1.22 135.00 140.62 3k1q s PRO 211 Ca 0.13 0.89 -0.01 0.00 0.04 0.00 0.00 61.00 62.05 3k1q s PRO 211 Cb -0.13 -1.90 0.03 0.00 0.04 0.00 0.00 34.50 32.54 3k1q s PRO 211 CO -0.24 -1.67 -0.06 0.45 0.04 0.00 0.00 177.00 175.52 3k1q s SER 212 N -3.63 4.33 -0.21 6.66 0.15 -1.26 -4.81 113.70 114.94 3k1q s SER 212 Ca 0.61 -0.93 -0.29 0.00 0.70 0.00 0.00 55.95 56.04 3k1q s SER 212 Cb -0.16 -1.66 -0.01 0.00 -1.71 0.00 0.00 66.02 62.48 3k1q s SER 212 CO 0.56 -0.14 1.32 0.00 1.20 0.00 0.00 173.24 176.17 3k1q s ALA 213 N 1.30 3.54 0.00 5.45 0.00 -1.26 -4.64 121.76 126.15 3k1q s ALA 213 Ca -0.01 0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.32 3k1q s ALA 213 Cb -0.17 -3.69 0.00 0.00 0.00 0.00 0.00 23.12 19.26 3k1q s ALA 213 CO -0.04 -1.43 0.00 1.58 0.00 0.00 0.00 175.76 175.86 3k1q n HIS 214 N 7.09 0.00 -3.76 0.00 -0.00 -1.26 -5.00 115.22 112.29 3k1q n HIS 214 Ca 0.15 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.58 3k1q n HIS 214 Cb 0.45 -0.05 -0.16 0.00 -0.00 0.00 0.00 29.99 30.23 3k1q n HIS 214 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.34 175.17 3k1q s LEU 215 N -0.05 1.91 0.00 0.27 2.96 -1.26 -4.60 118.68 117.91 3k1q s LEU 215 Ca 0.00 -1.30 0.02 0.00 -0.22 0.00 0.00 54.13 52.63 3k1q s LEU 215 Cb 0.00 -0.81 0.02 0.00 0.50 0.00 0.00 46.19 45.91 3k1q s LEU 215 CO 0.00 -0.36 0.20 0.35 -1.32 0.00 0.00 176.35 175.23 3k1q n THR 216 N 4.90 0.00 0.22 3.68 -2.24 -1.22 -2.78 114.28 116.84 3k1q n THR 216 Ca -0.06 -2.27 -0.15 0.00 -2.27 0.00 0.00 64.05 59.29 3k1q n THR 216 Cb 0.44 0.22 -0.08 0.00 -2.10 0.00 0.00 70.33 68.82 3k1q n THR 216 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3k1q h LYS 217 N 0.00 -0.71 -1.74 -0.78 3.64 -1.94 -2.87 116.57 112.17 3k1q h LYS 217 Ca -0.38 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 3k1q h LYS 217 Cb 1.27 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 33.25 3k1q h LYS 217 CO 0.62 -0.47 0.00 0.39 -2.27 0.00 0.00 179.45 177.71 3k1q n GLU 218 N -5.47 0.88 0.00 1.90 1.02 -1.26 -4.57 120.64 113.14 3k1q n GLU 218 Ca -0.10 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.04 3k1q n GLU 218 Cb 0.37 -1.06 0.00 0.00 -0.02 0.00 0.00 31.44 30.73 3k1q n GLU 218 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 3k1q n LEU 219 N 1.26 0.00 0.00 -4.62 7.94 -1.18 -5.18 117.00 115.22 3k1q n LEU 219 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3k1q n LEU 219 Cb 0.44 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.39 3k1q n LEU 219 CO 0.00 0.00 0.00 2.30 -1.11 0.00 0.00 177.39 178.58 3k1q n ILE 220 N 0.00 0.00 -3.20 1.96 -5.35 -1.09 -4.90 119.36 106.78 3k1q n ILE 220 Ca 0.00 0.00 -0.46 0.00 -0.27 0.00 0.00 62.75 62.02 3k1q n ILE 220 Cb 0.00 0.00 -0.03 0.00 -1.74 0.00 0.00 39.64 37.87 3k1q n ILE 220 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3k1q s GLY 221 N 0.00 2.16 0.55 3.28 0.00 -1.12 -3.41 107.32 108.78 3k1q s GLY 221 Ca 0.00 -2.74 0.34 0.00 0.00 0.00 0.00 44.72 42.32 3k1q s GLY 221 CO 0.00 1.45 1.83 0.74 0.00 0.00 0.00 173.10 177.12 3k1q h PHE 222 N 8.61 0.00 -0.96 1.90 -1.00 -1.79 3.18 116.94 126.88 3k1q h PHE 222 Ca -0.10 0.00 0.20 0.00 2.81 0.00 0.00 57.97 60.88 3k1q h PHE 222 Cb 1.07 0.00 -0.08 0.00 3.61 0.00 0.00 35.95 40.54 3k1q h PHE 222 CO 0.93 0.00 0.61 1.79 -1.61 0.00 0.00 178.31 180.03 3k1q h THR 223 N 0.00 0.68 0.00 -1.55 1.35 -1.84 -3.22 112.91 108.34 3k1q h THR 223 Ca 0.48 -0.19 -0.01 0.00 -0.55 0.00 0.00 66.41 66.14 3k1q h THR 223 Cb 1.99 0.08 -0.00 0.00 -1.73 0.00 0.00 68.15 68.49 3k1q h THR 223 CO -0.01 0.10 -0.05 -0.25 -0.25 0.00 0.00 175.52 175.06 3k1q h TRP 224 N 0.55 0.00 0.00 4.73 -0.00 0.56 -3.23 115.95 118.57 3k1q h TRP 224 Ca 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 59.41 3k1q h TRP 224 Cb 1.08 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.24 3k1q h TRP 224 CO -0.00 0.05 0.47 0.74 -0.00 0.00 0.00 178.44 179.70 3k1q h PHE 225 N 0.00 0.00 -0.01 2.65 0.04 -1.72 -3.26 116.94 114.64 3k1q h PHE 225 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3k1q h PHE 225 Cb 0.15 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.30 3k1q h PHE 225 CO 0.00 0.00 -0.01 0.52 -0.60 0.00 0.00 178.31 178.22 3k1q h MET 226 N 0.00 -0.01 -0.23 1.51 2.86 -1.86 -1.86 114.93 115.34 3k1q h MET 226 Ca 0.00 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 3k1q h MET 226 Cb 0.94 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.59 3k1q h MET 226 CO 0.00 -0.00 -0.03 1.96 1.06 0.00 0.00 176.91 179.90 3k1q h GLN 227 N -0.01 0.35 -1.01 1.72 7.50 -1.73 -3.23 115.11 118.69 3k1q h GLN 227 Ca 0.00 -0.06 0.24 0.00 0.50 0.00 0.00 58.65 59.33 3k1q h GLN 227 Cb 0.01 -0.06 -0.10 0.00 0.05 0.00 0.00 27.48 27.39 3k1q h GLN 227 CO -0.01 0.40 0.64 0.52 -1.50 0.00 0.00 178.83 178.87 3k1q h MET 228 N 0.34 0.48 -0.53 1.46 2.86 -1.44 -1.24 114.93 116.85 3k1q h MET 228 Ca 0.08 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 3k1q h MET 228 Cb 0.27 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.82 3k1q h MET 228 CO 0.01 0.32 0.00 2.48 1.06 0.00 0.00 176.91 180.78 3k1q n TYR 229 N -4.68 1.49 0.00 -0.22 0.18 -1.06 -4.97 117.16 107.90 3k1q n TYR 229 Ca 0.25 -0.69 0.00 0.00 1.88 0.00 0.00 57.90 59.34 3k1q n TYR 229 Cb 0.78 -0.32 0.00 0.00 -0.38 0.00 0.00 39.34 39.42 3k1q n TYR 229 CO 0.00 0.00 0.00 1.04 -2.08 0.00 0.00 176.86 175.82 3k1q n GLN 230 N 0.63 0.00 -1.79 -3.48 3.00 -0.47 -4.94 117.38 110.33 3k1q n GLN 230 Ca 0.25 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.86 3k1q n GLN 230 Cb 0.95 -2.65 0.05 0.00 0.00 0.00 0.00 30.24 28.59 3k1q n GLN 230 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.06 178.47 3k1q s MET 231 N 0.00 2.93 -0.37 -1.09 1.75 -1.25 -4.83 119.30 116.44 3k1q s MET 231 Ca 0.00 2.15 -0.15 0.00 -1.25 0.00 0.00 55.69 56.44 3k1q s MET 231 Cb 0.00 -2.10 -0.00 0.00 2.84 0.00 0.00 34.83 35.57 3k1q s MET 231 CO 0.00 -1.33 0.33 0.95 -0.65 0.00 0.00 175.02 174.32 3k1q s THR 232 N -1.35 5.20 0.31 10.11 -4.23 -1.26 -4.23 115.64 120.20 3k1q s THR 232 Ca 0.76 -0.22 -0.29 0.00 -1.18 0.00 0.00 61.69 60.75 3k1q s THR 232 Cb -0.39 -3.85 -0.12 0.00 1.34 0.00 0.00 72.50 69.48 3k1q s THR 232 CO 0.44 -0.17 1.48 -2.65 -0.54 0.00 0.00 174.62 173.19 3k1q n PRO 233 N 5.30 2.47 0.21 3.99 -0.02 -1.26 -4.93 135.00 140.76 3k1q n PRO 233 Ca -0.10 0.87 0.06 0.00 -2.02 0.00 0.00 63.50 62.31 3k1q n PRO 233 Cb 0.49 -2.59 0.47 0.00 -0.02 0.00 0.00 33.50 31.85 3k1q n PRO 233 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3k1q h PRO 234 N 3.89 0.00 -6.02 0.52 0.11 -1.92 -3.46 132.00 125.12 3k1q h PRO 234 Ca -0.47 0.00 -0.65 0.00 0.11 0.00 0.00 66.00 64.99 3k1q h PRO 234 Cb 1.25 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.27 3k1q h PRO 234 CO 0.72 0.27 -0.57 -0.51 -0.21 0.00 0.00 178.00 177.70 3k1q s LEU 235 N -7.97 3.92 -0.48 2.35 1.02 -1.26 -4.52 118.68 111.74 3k1q s LEU 235 Ca -0.03 0.14 -0.27 0.00 0.02 0.00 0.00 54.13 53.99 3k1q s LEU 235 Cb 0.14 -2.35 -0.04 0.00 0.02 0.00 0.00 46.19 43.96 3k1q s LEU 235 CO 0.68 0.25 2.12 -2.84 0.02 0.00 0.00 176.35 176.59 3k1q s PRO 236 N -1.88 2.55 -0.80 1.29 0.02 -1.26 -4.93 135.00 129.99 3k1q s PRO 236 Ca 0.25 1.20 -0.03 0.00 0.02 0.00 0.00 61.00 62.43 3k1q s PRO 236 Cb -0.12 -4.44 0.20 0.00 0.02 0.00 0.00 34.50 30.15 3k1q s PRO 236 CO 0.16 -2.79 0.66 -1.21 -0.33 0.00 0.00 177.00 173.50 3k1q s GLU 237 N 7.31 3.07 0.00 5.54 2.02 -1.26 -4.88 118.70 130.49 3k1q s GLU 237 Ca 0.85 -2.94 0.00 0.00 0.02 0.00 0.00 54.97 52.90 3k1q s GLU 237 Cb -0.18 -3.93 0.00 0.00 0.10 0.00 0.00 34.13 30.12 3k1q s GLU 237 CO 0.26 -1.23 0.00 0.41 0.02 0.00 0.00 175.26 174.72 3k1q n GLY 238 N 2.90 4.70 0.27 -1.39 0.00 -1.26 -4.76 105.19 105.64 3k1q n GLY 238 Ca 0.16 -1.38 -0.15 0.00 0.00 0.00 0.00 46.02 44.65 3k1q n GLY 238 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k1q h ALA 239 N 1.13 -0.61 -3.03 4.61 0.00 -1.37 -2.37 119.26 117.62 3k1q h ALA 239 Ca 0.00 -0.18 -0.66 0.00 0.00 0.00 0.00 54.91 54.07 3k1q h ALA 239 Cb 0.00 0.24 -0.30 0.00 0.00 0.00 0.00 17.79 17.72 3k1q h ALA 239 CO 0.00 -0.73 -0.77 0.08 0.00 0.00 0.00 179.25 177.83 3k1q s VAL 240 N -5.12 2.91 -0.01 0.00 1.01 -1.03 -0.12 120.40 118.04 3k1q s VAL 240 Ca -0.15 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.20 3k1q s VAL 240 Cb 0.03 -2.29 -0.00 0.00 0.00 0.00 0.00 36.38 34.11 3k1q s VAL 240 CO 0.55 0.47 -0.08 0.20 0.00 0.00 0.00 175.10 176.24 3k1q s ASN 241 N 1.37 0.97 0.41 3.32 0.01 0.31 -0.96 114.94 120.37 3k1q s ASN 241 Ca 0.05 -0.15 0.07 0.00 -0.71 0.00 0.00 52.86 52.12 3k1q s ASN 241 Cb -0.14 -0.14 -0.07 0.00 0.41 0.00 0.00 41.25 41.31 3k1q s ASN 241 CO -0.06 0.09 0.04 -0.13 -1.51 0.00 0.00 177.10 175.53 3k1q s ARG 242 N -0.11 2.01 0.04 -0.60 0.52 0.62 -0.93 118.95 120.50 3k1q s ARG 242 Ca 0.02 -2.07 0.08 0.00 -0.52 0.00 0.00 55.73 53.24 3k1q s ARG 242 Cb -0.04 -1.69 -0.03 0.00 0.52 0.00 0.00 34.95 33.71 3k1q s ARG 242 CO -0.00 -0.07 -0.23 0.96 0.02 0.00 0.00 175.30 175.98 3k1q s ILE 243 N -2.70 2.40 0.01 1.52 -4.36 0.69 -1.77 121.20 116.99 3k1q s ILE 243 Ca 0.35 -1.32 -0.01 0.00 -0.26 0.00 0.00 60.65 59.42 3k1q s ILE 243 Cb 0.09 -1.97 -0.01 0.00 1.25 0.00 0.00 42.46 41.82 3k1q s ILE 243 CO 0.18 0.35 0.01 0.54 0.24 0.00 0.00 174.94 176.26 3k1q s VAL 244 N -0.85 0.06 -0.69 8.37 0.11 -0.69 -4.78 120.40 121.93 3k1q s VAL 244 Ca 0.13 -0.53 -0.26 0.00 -2.93 0.00 0.00 61.98 58.39 3k1q s VAL 244 Cb -0.10 -0.19 0.04 0.00 -1.53 0.00 0.00 36.38 34.60 3k1q s VAL 244 CO 0.03 -0.29 1.16 0.00 -3.33 0.00 0.00 175.10 172.67 3k1q s MET 246 N 5.08 0.94 -0.19 0.00 -1.94 -0.88 -1.70 119.30 120.60 3k1q s MET 246 Ca 0.32 -1.14 -0.29 0.00 -1.71 0.00 0.00 55.69 52.87 3k1q s MET 246 Cb -0.11 -2.27 -0.01 0.00 2.01 0.00 0.00 34.83 34.45 3k1q s MET 246 CO 0.15 -0.90 1.33 0.99 -0.01 0.00 0.00 175.02 176.58 3k1q s THR 247 N 1.49 4.16 -0.70 2.05 2.01 -0.69 -3.25 115.64 120.72 3k1q s THR 247 Ca 0.07 1.37 0.00 0.00 0.31 0.00 0.00 61.69 63.44 3k1q s THR 247 Cb -0.18 -3.97 0.00 0.00 0.01 0.00 0.00 72.50 68.36 3k1q s THR 247 CO -0.19 -0.22 0.00 0.59 -0.69 0.00 0.00 174.62 174.11 3k1q n ASN 248 N 7.01 -4.74 -0.39 3.53 3.02 -1.25 -4.68 115.26 117.75 3k1q n ASN 248 Ca 0.15 0.16 0.37 0.00 -0.03 0.00 0.00 54.58 55.23 3k1q n ASN 248 Cb 0.45 -2.82 0.73 0.00 -0.61 0.00 0.00 39.78 37.53 3k1q n ASN 248 CO 0.00 0.00 0.00 4.11 -2.62 0.00 0.00 177.26 178.75 3k1q h TRP 249 N 0.00 0.10 -0.39 3.10 5.08 -1.65 -1.43 115.95 120.77 3k1q h TRP 249 Ca -0.13 0.00 -0.21 0.00 1.08 0.00 0.00 58.89 59.63 3k1q h TRP 249 Cb 0.74 -0.03 -0.13 0.00 -3.00 0.00 0.00 29.16 26.75 3k1q h TRP 249 CO 0.38 -0.01 -0.10 0.00 -1.28 0.00 0.00 178.44 177.43 3k1q n ALA 250 N -2.75 4.43 -2.57 0.11 0.00 -1.26 -5.01 120.51 113.46 3k1q n ALA 250 Ca 0.29 -3.20 -0.42 0.00 0.00 0.00 0.00 53.44 50.11 3k1q n ALA 250 Cb 1.34 -0.74 -0.03 0.00 0.00 0.00 0.00 19.45 20.02 3k1q n ALA 250 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3k1q s SER 251 N -2.59 6.38 -0.81 0.00 0.15 -0.54 -0.64 113.70 115.64 3k1q s SER 251 Ca 0.45 -0.02 0.01 0.00 0.70 0.00 0.00 55.95 57.09 3k1q s SER 251 Cb 0.41 -2.56 0.34 0.00 -1.71 0.00 0.00 66.02 62.51 3k1q s SER 251 CO -0.00 -1.57 1.56 -0.11 1.20 0.00 0.00 173.24 174.32 3k1q n LEU 252 N 8.66 6.37 -4.42 3.45 7.94 0.41 -4.95 117.00 134.46 3k1q n LEU 252 Ca 0.07 -5.34 -0.30 0.00 -1.11 0.00 0.00 56.01 49.33 3k1q n LEU 252 Cb 0.49 -0.91 -0.13 0.00 0.53 0.00 0.00 43.42 43.40 3k1q n LEU 252 CO 0.71 2.09 -0.53 -0.83 -1.11 0.00 0.00 177.39 177.73 3k1q s GLY 253 N -2.09 1.56 0.00 -3.96 0.00 -1.14 -4.11 107.32 97.58 3k1q s GLY 253 Ca 0.45 -1.30 0.23 0.00 0.00 0.00 0.00 44.72 44.10 3k1q s GLY 253 CO -0.20 -1.23 1.78 1.22 0.00 0.00 0.00 173.10 174.68 3k1q n ASP 254 N 1.32 0.00 -4.38 1.64 9.92 -1.26 -4.72 116.55 119.07 3k1q n ASP 254 Ca -0.17 -1.00 -0.38 0.00 -0.53 0.00 0.00 54.79 52.72 3k1q n ASP 254 Cb 0.52 0.00 -0.12 0.00 -0.64 0.00 0.00 41.12 40.88 3k1q n ASP 254 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 3k1q s GLU 255 N -2.00 3.20 -0.32 -1.24 8.01 -1.26 -5.09 118.70 120.00 3k1q s GLU 255 Ca 0.34 -0.79 -0.06 0.00 0.01 0.00 0.00 54.97 54.46 3k1q s GLU 255 Cb 0.15 -3.44 0.03 0.00 -4.31 0.00 0.00 34.13 26.57 3k1q s GLU 255 CO 0.26 -0.43 0.08 0.20 0.01 0.00 0.00 175.26 175.39 3k1q s GLY 256 N 1.54 1.81 0.24 -1.39 0.00 -1.26 -4.98 107.32 103.29 3k1q s GLY 256 Ca 0.03 -1.67 0.18 0.00 0.00 0.00 0.00 44.72 43.27 3k1q s GLY 256 CO 0.04 0.73 1.24 -0.09 0.00 0.00 0.00 173.10 175.01 3k1q h ARG 257 N 8.20 0.00 -1.04 2.90 2.43 -1.98 -3.48 114.38 121.41 3k1q h ARG 257 Ca -0.25 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.59 3k1q h ARG 257 Cb 1.09 0.00 -0.11 0.00 -0.42 0.00 0.00 29.97 30.53 3k1q h ARG 257 CO 0.60 0.26 -0.32 0.41 -1.51 0.00 0.00 179.97 179.41 3k1q n GLY 258 N 1.24 1.26 1.91 2.80 0.00 -1.26 -4.88 105.19 106.25 3k1q n GLY 258 Ca -0.01 -0.25 -0.22 0.00 0.00 0.00 0.00 46.02 45.54 3k1q n GLY 258 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3k1q n LEU 259 N -1.91 5.00 -4.79 0.99 7.99 -1.26 -5.08 117.00 117.94 3k1q n LEU 259 Ca -0.17 -4.60 -0.35 0.00 -0.01 0.00 0.00 56.01 50.88 3k1q n LEU 259 Cb 0.55 -0.43 -0.06 0.00 -0.11 0.00 0.00 43.42 43.37 3k1q n LEU 259 CO 0.24 1.96 0.67 -1.61 -1.51 0.00 0.00 177.39 177.14 3k1q s GLU 260 N -3.58 4.33 -0.47 3.23 8.01 -1.26 -4.54 118.70 124.42 3k1q s GLU 260 Ca 0.51 1.30 -0.15 0.00 0.01 0.00 0.00 54.97 56.64 3k1q s GLU 260 Cb 0.42 -2.50 0.07 0.00 -4.31 0.00 0.00 34.13 27.81 3k1q s GLU 260 CO 0.02 0.05 0.39 0.08 0.01 0.00 0.00 175.26 175.81 3k1q s VAL 261 N -1.83 5.19 -0.20 2.63 1.01 -1.26 -4.96 120.40 120.98 3k1q s VAL 261 Ca 0.57 -1.08 -0.04 0.00 0.00 0.00 0.00 61.98 61.43 3k1q s VAL 261 Cb -0.16 -4.10 -0.01 0.00 0.00 0.00 0.00 36.38 32.10 3k1q s VAL 261 CO 0.21 -0.58 -0.04 -0.13 0.00 0.00 0.00 175.10 174.57 3k1q s ARG 262 N 1.63 3.47 -0.05 2.72 1.81 -1.26 -1.71 118.95 125.55 3k1q s ARG 262 Ca 0.04 -0.59 0.03 0.00 -1.72 0.00 0.00 55.73 53.49 3k1q s ARG 262 Cb -0.24 -2.99 -0.03 0.00 -0.45 0.00 0.00 34.95 31.24 3k1q s ARG 262 CO 0.06 -0.07 -0.13 -1.17 -0.68 0.00 0.00 175.30 173.31 3k1q s LEU 263 N 1.17 2.79 0.42 2.53 2.96 -0.69 -5.04 118.68 122.81 3k1q s LEU 263 Ca 0.02 -0.18 -0.16 0.00 -0.22 0.00 0.00 54.13 53.59 3k1q s LEU 263 Cb -0.14 -1.57 -0.09 0.00 0.50 0.00 0.00 46.19 44.89 3k1q s LEU 263 CO -0.00 0.34 0.86 -2.16 -1.32 0.00 0.00 176.35 174.07 3k1q s PRO 264 N -0.70 4.00 0.21 0.98 0.04 -1.26 -4.69 135.00 133.58 3k1q s PRO 264 Ca 0.11 0.82 -0.30 0.00 0.04 0.00 0.00 61.00 61.67 3k1q s PRO 264 Cb -0.11 -2.28 -0.16 0.00 0.04 0.00 0.00 34.50 31.99 3k1q s PRO 264 CO 0.01 -0.04 0.82 -0.35 0.04 0.00 0.00 177.00 177.48 3k1q n PRO 265 N -0.94 0.62 0.27 0.56 -0.04 -1.26 -4.86 135.00 129.35 3k1q n PRO 265 Ca 0.05 0.22 0.15 0.00 -0.04 0.00 0.00 63.50 63.88 3k1q n PRO 265 Cb 0.54 -1.46 0.72 0.00 -0.04 0.00 0.00 33.50 33.27 3k1q n PRO 265 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 3k1q h PRO 266 N 1.85 0.00 -0.94 0.54 0.11 -1.95 0.14 132.00 131.74 3k1q h PRO 266 Ca -0.36 0.00 0.24 0.00 0.11 0.00 0.00 66.00 65.99 3k1q h PRO 266 Cb 1.39 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.44 3k1q h PRO 266 CO 0.61 0.00 0.64 1.79 -0.21 0.00 0.00 178.00 180.83 3k1q h THR 267 N 0.00 0.59 -3.86 -1.15 1.35 -1.88 0.20 112.91 108.17 3k1q h THR 267 Ca 0.05 -0.09 -0.68 0.00 -0.55 0.00 0.00 66.41 65.14 3k1q h THR 267 Cb 0.92 0.31 -0.20 0.00 -1.73 0.00 0.00 68.15 67.45 3k1q h THR 267 CO -0.00 0.05 -0.81 -1.81 -0.25 0.00 0.00 175.52 172.70 3k1q s ASP 268 N -5.53 3.82 -0.41 5.36 -0.00 0.04 -4.13 116.67 115.82 3k1q s ASP 268 Ca -0.07 -0.50 -0.29 0.00 -0.00 0.00 0.00 52.55 51.70 3k1q s ASP 268 Cb 0.23 -0.57 0.00 0.00 -0.00 0.00 0.00 42.92 42.58 3k1q s ASP 268 CO 0.78 0.22 1.52 -0.44 -0.00 0.00 0.00 175.17 177.26 3k1q s SER 269 N -1.78 6.18 -0.01 0.27 0.01 -1.26 -4.71 113.70 112.40 3k1q s SER 269 Ca 0.16 0.90 0.13 0.00 1.31 0.00 0.00 55.95 58.45 3k1q s SER 269 Cb -0.11 -2.54 0.38 0.00 0.21 0.00 0.00 66.02 63.97 3k1q s SER 269 CO 0.07 -1.55 1.30 -1.54 0.41 0.00 0.00 173.24 171.94 3k1q n SER 270 N 9.35 2.36 -0.20 2.44 3.41 -1.26 -4.56 113.62 125.17 3k1q n SER 270 Ca 0.18 -2.04 0.18 0.00 -0.26 0.00 0.00 58.87 56.92 3k1q n SER 270 Cb 0.48 -0.31 0.33 0.00 -0.26 0.00 0.00 64.21 64.45 3k1q n SER 270 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 3k1q n VAL 271 N 0.70 -0.26 0.13 -3.33 3.14 -1.26 -1.40 118.33 116.04 3k1q n VAL 271 Ca 0.14 1.29 0.01 0.00 -2.96 0.00 0.00 64.34 62.83 3k1q n VAL 271 Cb 0.39 -2.05 0.34 0.00 -1.06 0.00 0.00 33.84 31.46 3k1q n VAL 271 CO 0.00 0.00 0.00 1.12 -6.46 0.00 0.00 176.83 171.49 3k1q h HIS 272 N 0.00 0.19 0.00 1.45 2.07 -1.87 -1.61 115.15 115.38 3k1q h HIS 272 Ca 0.50 -0.03 -0.02 0.00 -2.85 0.00 0.00 60.37 57.97 3k1q h HIS 272 Cb 1.27 -0.05 -0.00 0.00 2.57 0.00 0.00 27.41 31.20 3k1q h HIS 272 CO -0.08 0.43 -0.08 0.00 -3.07 0.00 0.00 177.93 175.14 3k1q h ALA 273 N 1.57 1.41 -0.28 6.11 0.00 -1.62 -2.97 119.26 123.49 3k1q h ALA 273 Ca 0.03 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3k1q h ALA 273 Cb 0.56 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3k1q h ALA 273 CO 0.04 0.10 0.00 0.66 0.00 0.00 0.00 179.25 180.05 3k1q n TYR 274 N -3.77 0.37 -0.06 0.00 4.02 -0.61 -4.14 117.16 112.97 3k1q n TYR 274 Ca -0.02 -0.47 0.00 0.00 -0.01 0.00 0.00 57.90 57.39 3k1q n TYR 274 Cb 0.18 -0.03 0.00 0.00 -0.02 0.00 0.00 39.34 39.47 3k1q n TYR 274 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 176.86 176.21 3k1q n LYS 275 N 0.36 -0.45 -0.34 -0.72 2.85 -1.12 -4.71 118.16 114.04 3k1q n LYS 275 Ca 0.10 -0.44 0.03 0.00 -1.05 0.00 0.00 58.31 56.95 3k1q n LYS 275 Cb 0.39 -0.94 0.18 0.00 -0.65 0.00 0.00 35.03 34.01 3k1q n LYS 275 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 177.40 179.14 3k1q h THR 276 N 0.06 1.02 0.00 0.58 1.35 -1.72 -2.80 112.91 111.40 3k1q h THR 276 Ca 0.00 -0.35 -0.02 0.00 -0.55 0.00 0.00 66.41 65.49 3k1q h THR 276 Cb 0.03 -0.10 -0.00 0.00 -1.73 0.00 0.00 68.15 66.34 3k1q h THR 276 CO 0.00 0.19 -0.09 1.62 -0.25 0.00 0.00 175.52 176.99 3k1q h VAL 277 N 1.03 1.58 0.00 6.82 3.04 -1.90 -3.42 116.25 123.40 3k1q h VAL 277 Ca 0.43 -2.22 0.00 0.00 -1.01 0.00 0.00 66.70 63.90 3k1q h VAL 277 Cb 0.26 3.01 0.00 0.00 -2.01 0.00 0.00 31.29 32.56 3k1q h VAL 277 CO -0.20 0.53 0.00 0.18 -1.01 0.00 0.00 177.57 177.07 3k1q n LEU 278 N -4.61 0.86 -1.59 3.16 4.77 -1.25 -4.84 117.00 113.50 3k1q n LEU 278 Ca -0.11 -0.86 -0.10 0.00 -0.03 0.00 0.00 56.01 54.91 3k1q n LEU 278 Cb 0.45 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.59 3k1q n LEU 278 CO 0.30 0.21 0.95 -0.24 -1.33 0.00 0.00 177.39 177.29 3k1q n SER 279 N -0.07 4.59 0.16 -1.43 2.88 -1.05 -4.49 113.62 114.21 3k1q n SER 279 Ca 0.00 -2.71 -0.16 0.00 -1.33 0.00 0.00 58.87 54.67 3k1q n SER 279 Cb 0.12 -0.83 -0.09 0.00 -0.75 0.00 0.00 64.21 62.66 3k1q n SER 279 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 3k1q h ARG 280 N 0.81 -0.74 0.00 -1.46 3.08 -1.88 -1.73 114.38 112.45 3k1q h ARG 280 Ca 0.22 0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.32 3k1q h ARG 280 Cb 1.33 0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.55 3k1q h ARG 280 CO 0.47 -0.49 0.11 0.41 -1.07 0.00 0.00 179.97 179.39 3k1q n GLY 281 N -1.50 -0.75 2.55 0.04 0.00 -1.26 -4.26 105.19 100.01 3k1q n GLY 281 Ca -0.09 0.16 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 3k1q n GLY 281 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3k1q n TYR 282 N -2.12 1.89 0.27 1.61 4.02 -0.65 -4.93 117.16 117.25 3k1q n TYR 282 Ca -0.01 -3.94 0.17 0.00 -0.01 0.00 0.00 57.90 54.12 3k1q n TYR 282 Cb 0.13 -0.37 0.93 0.00 -0.02 0.00 0.00 39.34 40.01 3k1q n TYR 282 CO 0.00 0.00 0.00 -0.84 -1.01 0.00 0.00 176.86 175.01 3k1q h ILE 283 N 3.71 0.00 -2.42 -0.72 3.07 -1.74 -3.43 117.51 115.98 3k1q h ILE 283 Ca 0.18 0.00 -0.53 0.00 1.55 0.00 0.00 64.86 66.06 3k1q h ILE 283 Cb 0.78 0.75 -0.06 0.00 -0.27 0.00 0.00 36.82 38.03 3k1q h ILE 283 CO 0.64 0.00 1.17 -0.62 -1.05 0.00 0.00 178.15 178.29 3k1q s ASP 284 N -4.61 5.87 0.32 2.16 2.15 -1.26 -4.90 116.67 116.40 3k1q s ASP 284 Ca -0.04 0.11 0.28 0.00 0.43 0.00 0.00 52.55 53.33 3k1q s ASP 284 Cb 0.10 -2.54 1.00 0.00 -0.30 0.00 0.00 42.92 41.17 3k1q s ASP 284 CO 0.31 -1.95 0.92 0.59 -0.17 0.00 0.00 175.17 174.86 3k1q n ASN 285 N 10.51 0.02 -0.00 -0.34 5.03 -1.26 -1.42 115.26 127.81 3k1q n ASN 285 Ca 0.12 0.63 -0.15 0.00 0.87 0.00 0.00 54.58 56.05 3k1q n ASN 285 Cb 0.50 -0.31 -0.04 0.00 -1.02 0.00 0.00 39.78 38.91 3k1q n ASN 285 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3k1q h ALA 286 N 0.65 0.39 -2.93 5.41 0.00 -1.96 -3.45 119.26 117.36 3k1q h ALA 286 Ca 0.55 -0.60 -0.67 0.00 0.00 0.00 0.00 54.91 54.19 3k1q h ALA 286 Cb 2.13 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 19.80 3k1q h ALA 286 CO -0.05 0.71 -0.54 1.14 0.00 0.00 0.00 179.25 180.51 3k1q s GLN 287 N -3.71 3.25 0.21 0.00 1.03 -0.51 -4.13 119.66 115.80 3k1q s GLN 287 Ca -0.09 -0.29 0.11 0.00 0.04 0.00 0.00 55.36 55.13 3k1q s GLN 287 Cb 0.09 -3.01 -0.05 0.00 0.03 0.00 0.00 33.01 30.08 3k1q s GLN 287 CO 0.89 0.72 -0.22 -0.59 -2.54 0.00 0.00 175.29 173.55 3k1q s PHE 288 N -1.06 2.23 -0.35 9.60 -0.12 -0.55 -4.70 117.98 123.03 3k1q s PHE 288 Ca 0.17 -0.37 -0.25 0.00 -0.05 0.00 0.00 56.93 56.44 3k1q s PHE 288 Cb -0.12 -1.07 0.01 0.00 -0.63 0.00 0.00 43.02 41.21 3k1q s PHE 288 CO 0.07 0.53 0.87 1.21 -0.05 0.00 0.00 175.22 177.85 3k1q s ASN 289 N -2.87 6.66 0.36 1.98 3.84 -1.26 -1.49 114.94 122.16 3k1q s ASN 289 Ca 0.22 0.56 0.06 0.00 0.21 0.00 0.00 52.86 53.91 3k1q s ASN 289 Cb -0.07 -2.44 0.75 0.00 -0.55 0.00 0.00 41.25 38.94 3k1q s ASN 289 CO 0.11 -0.78 1.96 1.55 -2.79 0.00 0.00 177.10 177.15 3k1q h PRO 290 N 8.39 0.72 -0.14 0.43 0.13 -1.93 -0.76 132.00 138.85 3k1q h PRO 290 Ca -0.24 -0.04 -0.05 0.00 -0.87 0.00 0.00 66.00 64.80 3k1q h PRO 290 Cb 1.08 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 32.04 3k1q h PRO 290 CO 0.95 0.48 -0.15 -0.07 -0.23 0.00 0.00 178.00 178.98 3k1q h LEU 291 N 0.75 0.21 0.00 1.56 3.38 -1.92 -1.07 115.31 118.21 3k1q h LEU 291 Ca 0.30 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.23 3k1q h LEU 291 Cb 0.24 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3k1q h LEU 291 CO -0.10 0.38 0.00 0.00 0.09 0.00 0.00 178.44 178.81 3k1q n ALA 292 N -2.49 2.27 -0.07 1.53 0.00 -0.29 -2.15 120.51 119.32 3k1q n ALA 292 Ca -0.01 -0.12 -0.10 0.00 0.00 0.00 0.00 53.44 53.21 3k1q n ALA 292 Cb 0.28 -1.40 -0.03 0.00 0.00 0.00 0.00 19.45 18.30 3k1q n ALA 292 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3k1q h LEU 293 N 0.00 0.30 -0.63 0.00 5.85 -1.26 -0.94 115.31 118.63 3k1q h LEU 293 Ca 0.00 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 3k1q h LEU 293 Cb 0.18 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 3k1q h LEU 293 CO 0.00 0.29 0.39 -0.09 -0.34 0.00 0.00 178.44 178.69 3k1q h ARG 294 N 0.30 0.85 0.58 1.25 2.43 -1.78 0.71 114.38 118.71 3k1q h ARG 294 Ca 0.09 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 3k1q h ARG 294 Cb 0.05 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.42 3k1q h ARG 294 CO -0.02 0.60 -0.30 0.66 -1.51 0.00 0.00 179.97 179.41 3k1q h SER 295 N 0.86 -0.73 -0.92 -3.80 4.64 -1.78 -1.38 113.55 110.44 3k1q h SER 295 Ca 0.23 0.03 0.22 0.00 -0.47 0.00 0.00 61.79 61.80 3k1q h SER 295 Cb -0.04 0.20 -0.12 0.00 -0.31 0.00 0.00 62.40 62.13 3k1q h SER 295 CO -0.04 -0.49 0.46 -1.13 -0.87 0.00 0.00 176.83 174.75 3k1q h ASN 296 N -0.80 0.45 -0.51 4.97 -1.24 -0.74 -1.58 115.58 116.12 3k1q h ASN 296 Ca -0.08 0.14 -0.01 0.00 0.71 0.00 0.00 56.30 57.06 3k1q h ASN 296 Cb 0.62 0.09 -0.03 0.00 0.73 0.00 0.00 38.32 39.74 3k1q h ASN 296 CO 0.11 0.06 0.28 0.58 -1.29 0.00 0.00 177.43 177.17 3k1q h VAL 297 N 0.48 1.17 -0.47 2.57 2.07 -0.61 -2.77 116.25 118.69 3k1q h VAL 297 Ca 0.57 -0.45 -0.06 0.00 0.82 0.00 0.00 66.70 67.58 3k1q h VAL 297 Cb 1.06 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 3k1q h VAL 297 CO -0.49 0.19 0.05 0.25 0.02 0.00 0.00 177.57 177.59 3k1q h LEU 298 N 0.75 0.69 -0.73 2.57 6.46 -0.25 -1.04 115.31 123.77 3k1q h LEU 298 Ca 0.19 -0.14 -0.10 0.00 -0.12 0.00 0.00 57.88 57.71 3k1q h LEU 298 Cb 0.04 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 39.77 3k1q h LEU 298 CO -0.03 0.73 -0.11 0.25 -0.62 0.00 0.00 178.44 178.66 3k1q h LEU 299 N 0.70 0.85 -0.18 2.25 5.85 -1.36 -1.23 115.31 122.19 3k1q h LEU 299 Ca 0.15 -0.26 -0.00 0.00 0.84 0.00 0.00 57.88 58.60 3k1q h LEU 299 Cb 0.36 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 3k1q h LEU 299 CO 0.01 0.98 0.11 0.24 -0.34 0.00 0.00 178.44 179.43 3k1q h MET 300 N 0.77 0.24 -0.85 1.25 2.86 -1.14 0.24 114.93 118.30 3k1q h MET 300 Ca 0.13 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.74 3k1q h MET 300 Cb 0.62 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.19 3k1q h MET 300 CO 0.04 0.19 0.51 -0.07 1.06 0.00 0.00 176.91 178.64 3k1q h LEU 301 N 0.21 1.02 0.27 1.22 3.38 -1.09 0.28 115.31 120.60 3k1q h LEU 301 Ca 0.06 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3k1q h LEU 301 Cb 0.01 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 3k1q h LEU 301 CO -0.01 0.79 -0.28 0.25 0.09 0.00 0.00 178.44 179.28 3k1q h LEU 302 N 1.17 -0.75 -1.60 1.67 5.85 -0.53 -2.16 115.31 118.97 3k1q h LEU 302 Ca 0.30 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 59.06 3k1q h LEU 302 Cb -0.04 0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 3k1q h LEU 302 CO -0.06 -0.40 -0.09 1.56 -0.34 0.00 0.00 178.44 179.11 3k1q h GLN 303 N -0.58 0.14 -0.60 1.25 4.20 0.08 -1.94 115.11 117.67 3k1q h GLN 303 Ca -0.01 -0.02 0.08 0.00 0.06 0.00 0.00 58.65 58.76 3k1q h GLN 303 Cb 0.54 -0.02 -0.06 0.00 0.30 0.00 0.00 27.48 28.23 3k1q h GLN 303 CO -0.06 0.25 0.26 0.35 -0.67 0.00 0.00 178.83 178.96 3k1q h PHE 304 N 0.14 0.47 0.48 2.96 3.57 -0.31 -0.47 116.94 123.77 3k1q h PHE 304 Ca 0.03 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 3k1q h PHE 304 Cb 0.26 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.88 3k1q h PHE 304 CO 0.00 0.17 -0.23 1.15 -2.23 0.00 0.00 178.31 177.18 3k1q h THR 305 N 0.48 0.53 -0.58 4.41 2.02 -1.11 -3.22 112.91 115.44 3k1q h THR 305 Ca 0.29 -0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.46 3k1q h THR 305 Cb 0.29 0.53 -0.03 0.00 -1.74 0.00 0.00 68.15 67.21 3k1q h THR 305 CO -0.25 0.00 0.34 -0.07 0.37 0.00 0.00 175.52 175.92 3k1q h LEU 306 N -0.64 0.69 -0.22 2.58 3.38 -1.08 -2.65 115.31 117.36 3k1q h LEU 306 Ca -0.07 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3k1q h LEU 306 Cb 0.49 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3k1q h LEU 306 CO 0.11 0.55 0.00 -1.54 0.09 0.00 0.00 178.44 177.65 3k1q n SER 307 N -4.63 0.18 -0.37 -0.43 3.41 -0.21 -2.75 113.62 108.83 3k1q n SER 307 Ca 0.04 -1.61 0.08 0.00 -0.26 0.00 0.00 58.87 57.12 3k1q n SER 307 Cb 0.06 -0.09 0.18 0.00 -0.26 0.00 0.00 64.21 64.09 3k1q n SER 307 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3k1q n ASN 308 N -0.37 2.16 -4.42 4.04 5.03 -1.00 -4.93 115.26 115.78 3k1q n ASN 308 Ca 0.00 -3.45 -0.45 0.00 0.87 0.00 0.00 54.58 51.56 3k1q n ASN 308 Cb 0.04 -0.48 -0.01 0.00 -1.02 0.00 0.00 39.78 38.31 3k1q n ASN 308 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3k1q s LEU 309 N -3.04 5.53 -0.10 3.41 1.43 -1.11 -4.49 118.68 120.30 3k1q s LEU 309 Ca 0.35 -2.69 -0.05 0.00 -1.03 0.00 0.00 54.13 50.72 3k1q s LEU 309 Cb 0.32 -2.34 0.05 0.00 0.03 0.00 0.00 46.19 44.25 3k1q s LEU 309 CO -0.01 -0.76 0.23 -0.54 0.23 0.00 0.00 176.35 175.49 3k1q s LYS 310 N 1.33 0.15 -0.78 1.70 1.02 -1.26 -4.52 119.74 117.38 3k1q s LYS 310 Ca 0.33 0.58 -0.26 0.00 0.02 0.00 0.00 55.97 56.64 3k1q s LYS 310 Cb -0.06 -0.12 -0.01 0.00 -0.52 0.00 0.00 37.83 37.12 3k1q s LYS 310 CO -0.06 -0.22 1.69 0.42 -0.92 0.00 0.00 175.35 176.26 3k1q s ILE 311 N 1.72 3.55 -0.54 2.17 1.01 0.44 -4.76 121.20 124.79 3k1q s ILE 311 Ca -0.05 -0.04 -0.26 0.00 0.00 0.00 0.00 60.65 60.30 3k1q s ILE 311 Cb -0.11 -4.35 -0.08 0.00 0.01 0.00 0.00 42.46 37.93 3k1q s ILE 311 CO -0.08 -1.29 2.43 0.59 0.00 0.00 0.00 174.94 176.59 3k1q n ASN 312 N 11.71 2.18 -4.85 3.58 4.13 -1.25 0.71 115.26 131.47 3k1q n ASN 312 Ca 0.23 -0.58 -0.37 0.00 1.68 0.00 0.00 54.58 55.54 3k1q n ASN 312 Cb 0.50 -1.57 -0.06 0.00 -1.54 0.00 0.00 39.78 37.11 3k1q n ASN 312 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 3k1q s LYS 313 N 8.38 3.66 0.19 3.52 2.20 0.07 -1.86 119.74 135.90 3k1q s LYS 313 Ca 0.99 0.03 -0.30 0.00 -0.36 0.00 0.00 55.97 56.33 3k1q s LYS 313 Cb -0.21 -3.22 -0.09 0.00 -1.51 0.00 0.00 37.83 32.80 3k1q s LYS 313 CO 0.25 0.70 1.37 0.45 -0.36 0.00 0.00 175.35 177.76 3k1q s SER 314 N -0.88 6.81 0.00 1.43 0.15 -0.52 -4.64 113.70 116.06 3k1q s SER 314 Ca 0.17 2.45 0.00 0.00 0.70 0.00 0.00 55.95 59.27 3k1q s SER 314 Cb -0.13 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.57 3k1q s SER 314 CO 0.06 -0.61 0.00 -0.24 1.20 0.00 0.00 173.24 173.65 3k1q n SER 315 N 2.98 0.00 -4.75 5.45 2.88 -1.26 -4.89 113.62 114.02 3k1q n SER 315 Ca 0.08 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.39 3k1q n SER 315 Cb 0.42 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.82 3k1q n SER 315 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 3k1q s THR 316 N 1.43 3.00 -0.07 2.46 -1.32 -1.26 -5.05 115.64 114.83 3k1q s THR 316 Ca 0.00 -1.65 0.02 0.00 -1.21 0.00 0.00 61.69 58.85 3k1q s THR 316 Cb 0.00 -3.00 0.01 0.00 -1.51 0.00 0.00 72.50 68.01 3k1q s THR 316 CO 0.00 -0.16 -0.12 -0.36 -2.21 0.00 0.00 174.62 171.76 3k1q s PHE 317 N -2.43 1.49 -0.07 9.09 0.40 -1.26 -0.61 117.98 124.60 3k1q s PHE 317 Ca 0.39 -0.56 0.06 0.00 -0.60 0.00 0.00 56.93 56.22 3k1q s PHE 317 Cb -0.02 -1.09 -0.01 0.00 0.51 0.00 0.00 43.02 42.41 3k1q s PHE 317 CO 0.23 -0.29 -0.25 0.95 0.70 0.00 0.00 175.22 176.57 3k1q s THR 318 N 0.68 2.05 -1.00 0.64 -4.23 0.22 -4.89 115.64 109.10 3k1q s THR 318 Ca -0.14 -1.05 -0.23 0.00 -1.18 0.00 0.00 61.69 59.08 3k1q s THR 318 Cb -0.16 -1.74 -0.02 0.00 1.34 0.00 0.00 72.50 71.92 3k1q s THR 318 CO 0.04 0.57 1.80 -0.94 -0.54 0.00 0.00 174.62 175.54 3k1q s SER 319 N -0.04 5.60 -1.14 3.99 1.04 -1.26 -1.76 113.70 120.13 3k1q s SER 319 Ca -0.07 -1.15 -0.21 0.00 0.48 0.00 0.00 55.95 55.00 3k1q s SER 319 Cb -0.15 -2.57 0.06 0.00 0.10 0.00 0.00 66.02 63.47 3k1q s SER 319 CO 0.05 -2.36 1.57 -1.81 0.98 0.00 0.00 173.24 171.67 3k1q s ASP 320 N 6.73 6.65 -0.46 7.02 1.01 0.11 -4.88 116.67 132.85 3k1q s ASP 320 Ca 0.62 -1.90 -0.14 0.00 0.71 0.00 0.00 52.55 51.84 3k1q s ASP 320 Cb -0.03 -2.57 0.08 0.00 1.01 0.00 0.00 42.92 41.41 3k1q s ASP 320 CO -0.01 -1.35 0.37 0.68 0.21 0.00 0.00 175.17 175.08 3k1q s VAL 321 N 4.58 4.96 0.18 -1.27 -7.23 -1.26 -1.17 120.40 119.18 3k1q s VAL 321 Ca 0.49 -1.20 -0.07 0.00 -1.81 0.00 0.00 61.98 59.39 3k1q s VAL 321 Cb 0.02 -4.01 0.03 0.00 0.56 0.00 0.00 36.38 32.98 3k1q s VAL 321 CO -0.02 -0.59 0.39 0.35 -0.31 0.00 0.00 175.10 174.92 3k1q n THR 322 N 5.13 0.00 0.09 5.32 -2.24 -1.25 -5.02 114.28 116.31 3k1q n THR 322 Ca -0.12 -0.45 -0.15 0.00 -2.27 0.00 0.00 64.05 61.07 3k1q n THR 322 Cb 0.43 0.46 -0.14 0.00 -2.10 0.00 0.00 70.33 68.98 3k1q n THR 322 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 3k1q h THR 323 N 1.47 1.48 0.00 4.28 1.35 -2.02 -3.40 112.91 116.07 3k1q h THR 323 Ca -0.16 -3.08 -0.02 0.00 -0.55 0.00 0.00 66.41 62.61 3k1q h THR 323 Cb 0.59 2.90 -0.00 0.00 -1.73 0.00 0.00 68.15 69.91 3k1q h THR 323 CO 0.20 0.89 -0.08 0.16 -0.25 0.00 0.00 175.52 176.44 3k1q h ILE 324 N 0.06 0.14 -3.93 6.82 -0.00 -1.94 -3.44 117.51 115.23 3k1q h ILE 324 Ca -0.13 -1.03 -0.42 0.00 -0.00 0.00 0.00 64.86 63.27 3k1q h ILE 324 Cb 1.95 1.91 -0.30 0.00 -0.00 0.00 0.00 36.82 40.39 3k1q h ILE 324 CO 0.19 0.07 -0.79 0.42 -0.00 0.00 0.00 178.15 178.04 3k1q s THR 325 N -3.33 0.79 -0.14 0.16 -4.23 -1.26 -4.54 115.64 103.09 3k1q s THR 325 Ca 0.05 -0.39 -0.03 0.00 -1.18 0.00 0.00 61.69 60.14 3k1q s THR 325 Cb 0.07 -0.68 -0.03 0.00 1.34 0.00 0.00 72.50 73.19 3k1q s THR 325 CO 0.65 0.24 2.62 -1.54 -0.54 0.00 0.00 174.62 176.05 3k1q n SER 326 N 3.09 5.73 -3.22 3.99 3.41 -1.26 -3.80 113.62 121.55 3k1q n SER 326 Ca -0.16 -2.69 -0.09 0.00 -0.26 0.00 0.00 58.87 55.66 3k1q n SER 326 Cb 0.55 -1.22 0.03 0.00 -0.26 0.00 0.00 64.21 63.31 3k1q n SER 326 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3k1q n GLY 327 N 1.47 -1.20 3.60 5.00 0.00 -1.10 -5.02 105.19 107.94 3k1q n GLY 327 Ca 0.27 0.52 -0.34 0.00 0.00 0.00 0.00 46.02 46.48 3k1q n GLY 327 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k1q s ARG 328 N -3.87 2.73 -0.88 1.61 1.81 -0.32 -4.72 118.95 115.32 3k1q s ARG 328 Ca 0.21 -0.57 -0.16 0.00 -1.72 0.00 0.00 55.73 53.49 3k1q s ARG 328 Cb -0.04 -2.59 0.18 0.00 -0.45 0.00 0.00 34.95 32.05 3k1q s ARG 328 CO 0.76 0.66 0.94 -1.64 -0.68 0.00 0.00 175.30 175.34 3k1q s MET 329 N -0.95 3.60 0.15 3.54 -1.94 -1.26 -0.71 119.30 121.74 3k1q s MET 329 Ca 0.14 -2.13 -0.28 0.00 -1.71 0.00 0.00 55.69 51.70 3k1q s MET 329 Cb -0.11 -4.66 -0.07 0.00 2.01 0.00 0.00 34.83 31.99 3k1q s MET 329 CO 0.03 -1.52 0.90 0.42 -0.01 0.00 0.00 175.02 174.83 3k1q s ILE 330 N 1.37 4.37 -0.45 2.53 -1.09 -0.72 0.47 121.20 127.68 3k1q s ILE 330 Ca 0.25 1.95 -0.27 0.00 -2.23 0.00 0.00 60.65 60.36 3k1q s ILE 330 Cb -0.08 -4.27 -0.05 0.00 -1.58 0.00 0.00 42.46 36.49 3k1q s ILE 330 CO -0.09 0.42 2.24 -0.60 -1.23 0.00 0.00 174.94 175.67 3k1q s ARG 331 N -0.58 2.45 -0.89 2.79 3.52 -1.26 -0.61 118.95 124.37 3k1q s ARG 331 Ca 0.42 1.37 -0.20 0.00 -0.13 0.00 0.00 55.73 57.19 3k1q s ARG 331 Cb -0.24 -4.49 0.11 0.00 -1.56 0.00 0.00 34.95 28.77 3k1q s ARG 331 CO 0.29 -2.89 1.15 0.00 -0.81 0.00 0.00 175.30 173.04 3k1q s ALA 332 N 10.64 3.21 -0.32 6.12 0.00 0.22 -4.93 121.76 136.70 3k1q s ALA 332 Ca 0.91 -2.50 -0.29 0.00 0.00 0.00 0.00 51.96 50.09 3k1q s ALA 332 Cb -0.19 -4.09 -0.01 0.00 0.00 0.00 0.00 23.12 18.82 3k1q s ALA 332 CO 0.27 -3.05 1.59 -0.06 0.00 0.00 0.00 175.76 174.51 3k1q s PHE 333 N 3.34 2.14 0.00 0.00 0.40 -1.26 -4.33 117.98 118.27 3k1q s PHE 333 Ca 0.33 0.63 -0.02 0.00 -0.60 0.00 0.00 56.93 57.27 3k1q s PHE 333 Cb -0.06 -4.13 -0.03 0.00 0.51 0.00 0.00 43.02 39.31 3k1q s PHE 333 CO -0.06 -2.56 0.40 -0.85 0.70 0.00 0.00 175.22 172.85 3k1q n GLU 334 N 8.02 0.00 0.00 0.44 -0.00 -1.26 -4.64 120.64 123.20 3k1q n GLU 334 Ca 0.19 -0.12 0.00 0.00 -0.00 0.00 0.00 57.16 57.23 3k1q n GLU 334 Cb 0.47 -1.21 0.00 0.00 -0.00 0.00 0.00 31.44 30.70 3k1q n GLU 334 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3k1q n GLY 335 N 3.20 3.52 3.01 -1.84 0.00 -1.26 -5.10 105.19 106.72 3k1q n GLY 335 Ca 0.04 -1.85 -0.01 0.00 0.00 0.00 0.00 46.02 44.20 3k1q n GLY 335 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k1q n ARG 336 N -1.21 -1.54 0.26 1.61 1.74 -1.26 -4.90 116.66 111.35 3k1q n ARG 336 Ca 0.00 1.56 0.09 0.00 -0.77 0.00 0.00 57.85 58.73 3k1q n ARG 336 Cb 0.00 -2.72 0.66 0.00 -1.02 0.00 0.00 32.46 29.38 3k1q n ARG 336 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3k1q h PRO 337 N 3.35 0.00 -0.53 5.56 0.13 -1.99 -2.76 132.00 135.76 3k1q h PRO 337 Ca -0.01 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 65.19 3k1q h PRO 337 Cb 0.63 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.68 3k1q h PRO 337 CO 0.04 0.02 -0.24 0.39 -0.23 0.00 0.00 178.00 177.99 3k1q n GLU 338 N -4.41 -0.16 -0.26 0.86 4.71 -1.26 -1.89 120.64 118.23 3k1q n GLU 338 Ca -0.03 0.82 0.05 0.00 -0.01 0.00 0.00 57.16 57.98 3k1q n GLU 338 Cb 0.11 -1.21 0.18 0.00 -1.01 0.00 0.00 31.44 29.51 3k1q n GLU 338 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 3k1q h LEU 339 N 0.00 0.34 -0.82 -4.62 3.38 -1.85 -2.29 115.31 109.45 3k1q h LEU 339 Ca 0.15 0.10 0.20 0.00 0.09 0.00 0.00 57.88 58.42 3k1q h LEU 339 Cb 0.29 0.06 -0.14 0.00 0.09 0.00 0.00 40.66 40.96 3k1q h LEU 339 CO -0.52 0.15 0.11 -0.07 0.09 0.00 0.00 178.44 178.20 3k1q h LEU 340 N 0.49 -0.19 0.52 1.67 3.38 -1.60 -0.53 115.31 119.05 3k1q h LEU 340 Ca 0.40 0.20 -0.02 0.00 0.09 0.00 0.00 57.88 58.56 3k1q h LEU 340 Cb 0.57 0.31 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 3k1q h LEU 340 CO -0.37 -0.17 -0.38 0.00 0.09 0.00 0.00 178.44 177.61 3k1q h ALA 341 N 1.75 -0.92 -0.88 1.53 0.00 -1.53 0.15 119.26 119.36 3k1q h ALA 341 Ca 0.48 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 55.28 3k1q h ALA 341 Cb 0.92 0.51 -0.06 0.00 0.00 0.00 0.00 17.79 19.15 3k1q h ALA 341 CO -0.67 -1.04 0.56 -0.07 0.00 0.00 0.00 179.25 178.03 3k1q h LEU 342 N -0.88 0.89 -1.91 0.00 4.07 -1.34 -1.96 115.31 114.17 3k1q h LEU 342 Ca -0.06 0.01 -0.03 0.00 0.08 0.00 0.00 57.88 57.89 3k1q h LEU 342 Cb 0.74 -0.18 -0.00 0.00 1.08 0.00 0.00 40.66 42.30 3k1q h LEU 342 CO 0.02 0.58 -0.12 0.00 -1.08 0.00 0.00 178.44 177.83 3k1q h ALA 343 N 1.40 1.45 -2.35 1.53 0.00 -0.97 -3.38 119.26 116.95 3k1q h ALA 343 Ca 0.38 -0.11 -0.59 0.00 0.00 0.00 0.00 54.91 54.59 3k1q h ALA 343 Cb 0.14 -0.02 -0.38 0.00 0.00 0.00 0.00 17.79 17.53 3k1q h ALA 343 CO -0.16 0.15 -0.98 0.66 0.00 0.00 0.00 179.25 178.92 3k1q n TYR 344 N -3.89 -0.95 -0.04 0.00 4.01 0.03 -2.18 117.16 114.13 3k1q n TYR 344 Ca -0.02 -3.30 -0.11 0.00 -0.16 0.00 0.00 57.90 54.31 3k1q n TYR 344 Cb 0.21 0.27 -0.05 0.00 -0.31 0.00 0.00 39.34 39.46 3k1q n TYR 344 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3k1q h PRO 345 N 5.60 -0.42 -1.94 -0.72 0.13 -1.65 -2.77 132.00 130.24 3k1q h PRO 345 Ca 0.27 0.03 0.57 0.00 -0.87 0.00 0.00 66.00 66.00 3k1q h PRO 345 Cb 0.91 0.09 -0.09 0.00 0.13 0.00 0.00 31.00 32.05 3k1q h PRO 345 CO 0.37 -0.28 1.39 0.78 -0.23 0.00 0.00 178.00 180.03 3k1q h GLY 346 N -0.43 0.13 0.54 1.56 0.00 -1.93 -0.89 103.07 102.04 3k1q h GLY 346 Ca 0.10 -0.01 0.13 0.00 0.00 0.00 0.00 47.33 47.54 3k1q h GLY 346 CO -0.45 -0.05 0.61 3.21 0.00 0.00 0.00 176.54 179.86 3k1q h ARG 347 N 0.00 0.00 -6.55 4.80 3.08 -1.72 -3.47 114.38 110.52 3k1q h ARG 347 Ca 0.94 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 60.48 3k1q h ARG 347 Cb 3.73 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 33.76 3k1q h ARG 347 CO -0.05 0.00 0.32 0.00 -1.07 0.00 0.00 179.97 179.16 3k1q s ALA 348 N -4.45 3.29 0.46 0.04 0.00 -0.34 -4.77 121.76 115.99 3k1q s ALA 348 Ca -0.04 0.52 -0.11 0.00 0.00 0.00 0.00 51.96 52.34 3k1q s ALA 348 Cb 0.13 -3.20 -0.06 0.00 0.00 0.00 0.00 23.12 19.99 3k1q s ALA 348 CO 0.45 0.05 0.85 0.14 0.00 0.00 0.00 175.76 177.24 3k1q s VAL 349 N -0.28 4.74 -0.97 0.00 -7.23 -1.26 -5.06 120.40 110.35 3k1q s VAL 349 Ca 0.44 0.71 -0.12 0.00 -1.81 0.00 0.00 61.98 61.20 3k1q s VAL 349 Cb -0.23 -3.77 0.24 0.00 0.56 0.00 0.00 36.38 33.19 3k1q s VAL 349 CO 0.29 -0.68 0.95 -0.76 -0.31 0.00 0.00 175.10 174.59 3k1q s LEU 350 N -4.18 6.51 0.43 1.32 1.02 -1.26 -4.94 118.68 117.57 3k1q s LEU 350 Ca 0.53 -3.10 0.23 0.00 0.02 0.00 0.00 54.13 51.81 3k1q s LEU 350 Cb -0.10 -2.22 0.41 0.00 0.02 0.00 0.00 46.19 44.30 3k1q s LEU 350 CO 0.36 -0.46 1.63 1.55 0.02 0.00 0.00 176.35 179.45 3k1q h PRO 351 N 7.28 0.00 -5.49 1.29 0.13 -2.03 -3.47 132.00 129.71 3k1q h PRO 351 Ca 0.15 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.84 3k1q h PRO 351 Cb 0.96 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 31.95 3k1q h PRO 351 CO 0.89 0.08 -0.72 0.95 -0.23 0.00 0.00 178.00 178.96 3k1q s THR 352 N -3.23 1.65 -0.90 1.56 -4.23 -1.26 -5.06 115.64 104.17 3k1q s THR 352 Ca 0.06 -2.18 -0.01 0.00 -1.18 0.00 0.00 61.69 58.38 3k1q s THR 352 Cb 0.06 -2.09 0.34 0.00 1.34 0.00 0.00 72.50 72.15 3k1q s THR 352 CO 0.67 -0.56 1.82 0.00 -0.54 0.00 0.00 174.62 176.01 3k1q n GLN 353 N -0.39 4.10 -3.58 3.99 3.00 -1.26 -4.78 117.38 118.46 3k1q n GLN 353 Ca -0.08 -4.20 -0.20 0.00 -0.01 0.00 0.00 57.00 52.51 3k1q n GLN 353 Cb 0.61 -2.36 -0.02 0.00 0.00 0.00 0.00 30.24 28.47 3k1q n GLN 353 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 3k1q s THR 354 N -4.72 3.79 0.17 5.09 -4.23 -1.26 -4.82 115.64 109.66 3k1q s THR 354 Ca 0.45 -1.15 -0.17 0.00 -1.18 0.00 0.00 61.69 59.65 3k1q s THR 354 Cb 0.31 -3.30 0.09 0.00 1.34 0.00 0.00 72.50 70.94 3k1q s THR 354 CO -0.25 -0.15 1.67 0.11 -0.54 0.00 0.00 174.62 175.45 3k1q h LYS 355 N 1.02 0.00 -0.18 3.99 1.57 -0.95 0.26 116.57 122.28 3k1q h LYS 355 Ca -0.45 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 3k1q h LYS 355 Cb 1.26 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.56 3k1q h LYS 355 CO 0.55 0.00 0.11 -0.97 -0.57 0.00 0.00 179.45 178.57 3k1q h ASN 356 N 0.00 0.21 -0.92 0.86 -1.24 -1.31 -2.28 115.58 110.90 3k1q h ASN 356 Ca 0.19 -0.03 0.23 0.00 0.71 0.00 0.00 56.30 57.40 3k1q h ASN 356 Cb 0.29 -0.05 -0.13 0.00 0.73 0.00 0.00 38.32 39.16 3k1q h ASN 356 CO -0.41 0.18 0.43 0.00 -1.29 0.00 0.00 177.43 176.34 3k1q h ALA 357 N 1.04 1.52 -0.18 1.57 0.00 -0.93 -2.38 119.26 119.91 3k1q h ALA 357 Ca 0.06 0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.16 3k1q h ALA 357 Cb 0.00 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3k1q h ALA 357 CO -0.01 -0.35 -0.00 1.96 0.00 0.00 0.00 179.25 180.84 3k1q h GLN 358 N 0.42 0.05 -0.01 0.00 4.20 -0.10 0.56 115.11 120.23 3k1q h GLN 358 Ca 0.59 -0.00 0.03 0.00 0.06 0.00 0.00 58.65 59.32 3k1q h GLN 358 Cb 1.13 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.86 3k1q h GLN 358 CO -0.53 0.03 -0.18 0.35 -0.67 0.00 0.00 178.83 177.83 3k1q h PHE 359 N 0.05 -0.47 -0.47 2.96 3.57 -1.17 -2.06 116.94 119.36 3k1q h PHE 359 Ca 0.09 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.58 3k1q h PHE 359 Cb 0.11 0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.04 3k1q h PHE 359 CO -0.17 -0.26 0.22 -0.07 -2.23 0.00 0.00 178.31 175.80 3k1q h LEU 360 N -0.29 0.59 -0.05 0.59 3.38 -0.85 -2.24 115.31 116.44 3k1q h LEU 360 Ca 0.06 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3k1q h LEU 360 Cb 0.37 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3k1q h LEU 360 CO -0.18 0.51 -0.09 -0.24 0.09 0.00 0.00 178.44 178.53 3k1q n SER 361 N -4.38 0.16 -0.95 -0.43 2.88 0.19 -1.68 113.62 109.40 3k1q n SER 361 Ca 0.04 0.02 0.12 0.00 -1.33 0.00 0.00 58.87 57.72 3k1q n SER 361 Cb 0.13 -0.26 0.25 0.00 -0.75 0.00 0.00 64.21 63.57 3k1q n SER 361 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3k1q n THR 362 N -1.34 0.32 -4.19 2.46 -2.24 -0.80 -4.98 114.28 103.51 3k1q n THR 362 Ca 0.10 -0.58 -0.26 0.00 -2.27 0.00 0.00 64.05 61.04 3k1q n THR 362 Cb 0.30 0.92 -0.07 0.00 -2.10 0.00 0.00 70.33 69.38 3k1q n THR 362 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k1q s ALA 363 N -1.68 3.29 -0.51 6.98 0.00 -0.68 -4.85 121.76 124.30 3k1q s ALA 363 Ca 0.35 -1.38 -0.28 0.00 0.00 0.00 0.00 51.96 50.66 3k1q s ALA 363 Cb 0.21 -1.05 -0.01 0.00 0.00 0.00 0.00 23.12 22.27 3k1q s ALA 363 CO 0.30 0.44 1.65 -1.50 0.00 0.00 0.00 175.76 176.65 3k1q s ILE 364 N -1.83 3.58 0.08 0.00 1.10 -0.54 -4.92 121.20 118.66 3k1q s ILE 364 Ca 0.29 0.49 -0.11 0.00 -0.51 0.00 0.00 60.65 60.82 3k1q s ILE 364 Cb -0.09 -4.08 -0.26 0.00 0.15 0.00 0.00 42.46 38.18 3k1q s ILE 364 CO 0.20 -0.88 1.16 0.00 -2.11 0.00 0.00 174.94 173.31 3k1q h ALA 365 N 12.69 0.10 -0.72 1.50 0.00 -1.93 -3.35 119.26 127.55 3k1q h ALA 365 Ca -0.28 -0.77 0.21 0.00 0.00 0.00 0.00 54.91 54.06 3k1q h ALA 365 Cb 1.13 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 3k1q h ALA 365 CO 1.15 0.76 0.55 0.38 0.00 0.00 0.00 179.25 182.09 3k1q h ASP 366 N 0.24 0.00 0.00 0.00 2.03 -1.96 -3.29 116.42 113.44 3k1q h ASP 366 Ca -0.15 0.00 -0.47 0.00 -0.73 0.00 0.00 57.03 55.68 3k1q h ASP 366 Cb 1.84 0.00 0.02 0.00 -0.83 0.00 0.00 39.33 40.36 3k1q h ASP 366 CO 0.22 0.00 2.90 0.54 -1.03 0.00 0.00 179.24 181.87 3k1q n ARG 367 N -4.18 2.64 -3.81 4.15 3.00 -1.26 -4.82 116.66 112.39 3k1q n ARG 367 Ca 0.14 -1.68 -0.28 0.00 -0.01 0.00 0.00 57.85 56.02 3k1q n ARG 367 Cb 0.82 -2.54 -0.16 0.00 0.00 0.00 0.00 32.46 30.58 3k1q n ARG 367 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 3k1q s ILE 368 N 2.84 0.79 0.00 0.55 -1.09 -1.24 -4.78 121.20 118.27 3k1q s ILE 368 Ca 0.51 -0.60 0.00 0.00 -2.23 0.00 0.00 60.65 58.34 3k1q s ILE 368 Cb 0.14 -1.15 0.00 0.00 -1.58 0.00 0.00 42.46 39.87 3k1q s ILE 368 CO -0.04 -0.06 0.00 0.61 -1.23 0.00 0.00 174.94 174.22 3k1q n GLY 369 N 4.96 0.57 3.48 6.18 0.00 -0.85 -4.35 105.19 115.18 3k1q n GLY 369 Ca -0.10 -1.14 -0.43 0.00 0.00 0.00 0.00 46.02 44.35 3k1q n GLY 369 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3k1q s ARG 370 N 0.00 3.07 0.03 1.61 3.52 0.18 -0.62 118.95 126.73 3k1q s ARG 370 Ca 0.00 -0.83 -0.20 0.00 -0.13 0.00 0.00 55.73 54.57 3k1q s ARG 370 Cb 0.00 -3.98 -0.16 0.00 -1.56 0.00 0.00 34.95 29.26 3k1q s ARG 370 CO 0.00 -0.85 1.29 -0.07 -0.81 0.00 0.00 175.30 174.86 3k1q h LEU 371 N 8.98 0.44 -7.60 -0.88 -0.00 -1.74 -3.39 115.31 111.12 3k1q h LEU 371 Ca -0.27 -0.55 -0.18 0.00 -0.00 0.00 0.00 57.88 56.89 3k1q h LEU 371 Cb 1.11 -0.12 -0.26 0.00 -0.00 0.00 0.00 40.66 41.39 3k1q h LEU 371 CO 0.79 0.90 -0.53 -1.81 -0.00 0.00 0.00 178.44 177.79 3k1q s ASP 372 N -6.29 -0.14 -0.07 -0.43 1.01 -1.19 -5.07 116.67 104.50 3k1q s ASP 372 Ca -0.14 0.24 0.01 0.00 0.71 0.00 0.00 52.55 53.38 3k1q s ASP 372 Cb 0.05 0.31 -0.03 0.00 1.01 0.00 0.00 42.92 44.26 3k1q s ASP 372 CO 0.77 -0.10 -0.08 -0.60 0.21 0.00 0.00 175.17 175.37 3k1q s ARG 373 N -0.12 2.75 -0.53 8.23 3.52 -1.26 -1.31 118.95 130.23 3k1q s ARG 373 Ca -0.02 -0.57 0.01 0.00 -0.13 0.00 0.00 55.73 55.02 3k1q s ARG 373 Cb -0.02 -2.57 0.14 0.00 -1.56 0.00 0.00 34.95 30.93 3k1q s ARG 373 CO 0.00 0.64 0.30 0.00 -0.81 0.00 0.00 175.30 175.43 3k1q s ALA 374 N -0.74 3.35 -0.13 6.12 0.00 0.15 -4.99 121.76 125.52 3k1q s ALA 374 Ca 0.11 -3.11 -0.14 0.00 0.00 0.00 0.00 51.96 48.83 3k1q s ALA 374 Cb -0.11 -2.36 0.04 0.00 0.00 0.00 0.00 23.12 20.69 3k1q s ALA 374 CO 0.01 -1.99 0.37 1.21 0.00 0.00 0.00 175.76 175.37 3k1q s ASN 375 N 0.44 -0.37 -0.00 0.00 2.47 -1.26 -1.28 114.94 114.94 3k1q s ASN 375 Ca 0.15 0.68 0.00 0.00 0.42 0.00 0.00 52.86 54.12 3k1q s ASN 375 Cb -0.23 0.71 0.00 0.00 -1.45 0.00 0.00 41.25 40.29 3k1q s ASN 375 CO -0.03 -0.17 0.98 -0.11 -3.72 0.00 0.00 177.10 174.05 3k1q n LEU 376 N 2.66 1.91 -4.44 3.21 0.00 -1.26 -5.01 117.00 114.07 3k1q n LEU 376 Ca -0.14 -1.92 -0.44 0.00 0.00 0.00 0.00 56.01 53.51 3k1q n LEU 376 Cb 0.57 -0.00 -0.01 0.00 0.00 0.00 0.00 43.42 43.97 3k1q n LEU 376 CO 0.15 0.48 1.07 -0.63 0.00 0.00 0.00 177.39 178.46 3k1q s ILE 377 N -0.97 5.02 1.11 1.96 1.01 -1.26 -5.02 121.20 123.05 3k1q s ILE 377 Ca 0.00 -2.19 -0.19 0.00 0.00 0.00 0.00 60.65 58.28 3k1q s ILE 377 Cb 0.00 -4.79 0.10 0.00 0.01 0.00 0.00 42.46 37.79 3k1q s ILE 377 CO 0.00 -1.48 -0.06 0.61 0.00 0.00 0.00 174.94 174.01 3k1q n GLY 378 N 4.64 -2.57 2.86 6.18 0.00 -1.26 -3.89 105.19 111.16 3k1q n GLY 378 Ca 0.28 -0.76 -0.18 0.00 0.00 0.00 0.00 46.02 45.35 3k1q n GLY 378 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k1q n GLY 379 N 2.21 -0.26 3.00 -0.02 0.00 -1.26 -5.00 105.19 103.87 3k1q n GLY 379 Ca 0.01 0.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 3k1q n GLY 379 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3k1q s GLU 380 N -4.26 0.38 0.81 1.61 2.12 -1.25 -5.17 118.70 112.93 3k1q s GLU 380 Ca 0.36 -0.63 -0.12 0.00 0.36 0.00 0.00 54.97 54.95 3k1q s GLU 380 Cb -0.21 -0.04 0.08 0.00 0.26 0.00 0.00 34.13 34.21 3k1q s GLU 380 CO 0.44 -0.01 1.10 0.14 -0.54 0.00 0.00 175.26 176.39 3k1q s VAL 381 N -1.35 2.93 0.35 3.70 -7.23 -1.26 -4.85 120.40 112.69 3k1q s VAL 381 Ca -0.13 0.30 -0.28 0.00 -1.81 0.00 0.00 61.98 60.06 3k1q s VAL 381 Cb -0.09 -3.07 -0.11 0.00 0.56 0.00 0.00 36.38 33.67 3k1q s VAL 381 CO -0.00 -0.39 1.48 -0.55 -0.31 0.00 0.00 175.10 175.33 3k1q s SER 382 N -3.97 6.40 0.24 4.85 0.15 -1.26 -4.88 113.70 115.24 3k1q s SER 382 Ca 0.61 2.99 -0.04 0.00 0.70 0.00 0.00 55.95 60.21 3k1q s SER 382 Cb -0.14 -2.66 0.27 0.00 -1.71 0.00 0.00 66.02 61.78 3k1q s SER 382 CO 0.54 -0.84 1.75 0.00 1.20 0.00 0.00 173.24 175.89 3k1q h ALA 383 N 3.40 1.06 -2.97 5.45 0.00 -1.47 -3.40 119.26 121.33 3k1q h ALA 383 Ca -0.50 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.15 3k1q h ALA 383 Cb 1.23 -0.22 -0.10 0.00 0.00 0.00 0.00 17.79 18.71 3k1q h ALA 383 CO 0.67 0.60 0.17 -1.64 0.00 0.00 0.00 179.25 179.05 3k1q s MET 384 N -5.09 1.41 0.06 0.00 -1.94 -1.01 -1.55 119.30 111.18 3k1q s MET 384 Ca -0.10 -0.67 0.08 0.00 -1.71 0.00 0.00 55.69 53.29 3k1q s MET 384 Cb 0.15 0.58 -0.03 0.00 2.01 0.00 0.00 34.83 37.53 3k1q s MET 384 CO 0.82 -0.62 -0.19 0.14 -0.01 0.00 0.00 175.02 175.16 3k1q s VAL 385 N -3.81 2.72 -0.63 -6.03 -7.23 0.64 0.31 120.40 106.37 3k1q s VAL 385 Ca 0.05 -1.30 -0.03 0.00 -1.81 0.00 0.00 61.98 58.89 3k1q s VAL 385 Cb -0.02 -2.17 0.16 0.00 0.56 0.00 0.00 36.38 34.92 3k1q s VAL 385 CO -0.07 0.27 0.44 -1.61 -0.31 0.00 0.00 175.10 173.83 3k1q s GLU 386 N -1.61 2.56 -0.11 4.82 8.01 -0.43 -1.67 118.70 130.28 3k1q s GLU 386 Ca 0.15 -2.56 0.04 0.00 0.01 0.00 0.00 54.97 52.60 3k1q s GLU 386 Cb -0.10 -3.72 0.00 0.00 -4.31 0.00 0.00 34.13 26.00 3k1q s GLU 386 CO 0.06 -1.17 -0.23 0.00 0.01 0.00 0.00 175.26 173.93 3k1q s MET 388 N 0.49 3.83 0.09 0.00 -1.94 0.21 0.05 119.30 122.02 3k1q s MET 388 Ca -0.15 0.72 0.05 0.00 -1.71 0.00 0.00 55.69 54.60 3k1q s MET 388 Cb -0.17 -3.85 -0.03 0.00 2.01 0.00 0.00 34.83 32.78 3k1q s MET 388 CO 0.06 -1.22 -0.14 -1.21 -0.01 0.00 0.00 175.02 172.49 3k1q s GLU 389 N 4.18 0.87 -0.62 2.03 0.41 -0.98 -2.01 118.70 122.58 3k1q s GLU 389 Ca 0.47 -1.04 -0.26 0.00 -0.41 0.00 0.00 54.97 53.73 3k1q s GLU 389 Cb -0.09 -0.83 -0.10 0.00 -1.78 0.00 0.00 34.13 31.33 3k1q s GLU 389 CO 0.26 0.17 2.42 -0.11 -0.49 0.00 0.00 175.26 177.52 3k1q n LEU 390 N 1.04 2.06 -3.74 1.80 7.94 -0.93 -1.63 117.00 123.55 3k1q n LEU 390 Ca -0.19 -0.88 -0.13 0.00 -1.11 0.00 0.00 56.01 53.69 3k1q n LEU 390 Cb 0.55 -1.60 -0.14 0.00 0.53 0.00 0.00 43.42 42.76 3k1q n LEU 390 CO 0.23 -1.98 -0.20 0.00 -1.11 0.00 0.00 177.39 174.33 3k1q s ASP 392 N 1.27 5.70 0.31 0.00 -1.08 -0.80 -2.51 116.67 119.56 3k1q s ASP 392 Ca -0.09 0.35 0.07 0.00 -0.52 0.00 0.00 52.55 52.36 3k1q s ASP 392 Cb -0.11 -2.54 0.83 0.00 -1.46 0.00 0.00 42.92 39.64 3k1q s ASP 392 CO -0.07 -2.04 1.68 0.00 0.52 0.00 0.00 175.17 175.27 3k1q h ALA 393 N 12.98 1.57 -0.03 3.66 0.00 -1.67 0.40 119.26 136.16 3k1q h ALA 393 Ca -0.27 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3k1q h ALA 393 Cb 1.13 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 3k1q h ALA 393 CO 1.19 -0.42 -0.01 1.25 0.00 0.00 0.00 179.25 181.25 3k1q h LEU 394 N 0.35 0.07 0.10 0.00 5.85 -1.92 0.31 115.31 120.06 3k1q h LEU 394 Ca 0.61 -0.41 0.00 0.00 0.84 0.00 0.00 57.88 58.93 3k1q h LEU 394 Cb 1.25 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.25 3k1q h LEU 394 CO -0.58 0.46 -0.10 0.74 -0.34 0.00 0.00 178.44 178.62 3k1q h THR 395 N -0.33 0.77 -0.79 1.05 2.02 -1.80 -2.09 112.91 111.75 3k1q h THR 395 Ca 0.01 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.33 3k1q h THR 395 Cb 0.43 0.77 -0.14 0.00 -1.74 0.00 0.00 68.15 67.47 3k1q h THR 395 CO 0.00 0.00 -0.30 0.25 0.37 0.00 0.00 175.52 175.84 3k1q h LEU 396 N -0.22 -1.09 -0.69 2.58 5.85 0.34 -0.48 115.31 121.59 3k1q h LEU 396 Ca 0.01 0.26 0.14 0.00 0.84 0.00 0.00 57.88 59.12 3k1q h LEU 396 Cb 0.21 0.60 -0.10 0.00 0.37 0.00 0.00 40.66 41.75 3k1q h LEU 396 CO -0.03 -0.29 0.19 -0.74 -0.34 0.00 0.00 178.44 177.23 3k1q h HIS 397 N -0.06 0.30 0.22 1.25 2.76 0.06 0.57 115.15 120.25 3k1q h HIS 397 Ca 0.33 0.04 0.01 0.00 -2.20 0.00 0.00 60.37 58.54 3k1q h HIS 397 Cb 0.59 -0.03 -0.02 0.00 1.55 0.00 0.00 27.41 29.50 3k1q h HIS 397 CO -0.71 -0.03 -0.25 0.82 -1.30 0.00 0.00 177.93 176.46 3k1q h ILE 398 N 0.30 0.46 -0.29 6.26 2.04 -0.70 -1.67 117.51 123.92 3k1q h ILE 398 Ca 0.38 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 66.16 3k1q h ILE 398 Cb 0.60 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 3k1q h ILE 398 CO -0.45 0.00 -0.16 0.03 0.00 0.00 0.00 178.15 177.57 3k1q h ARG 399 N -0.51 0.51 -0.03 2.37 2.47 0.21 -1.97 114.38 117.43 3k1q h ARG 399 Ca 0.00 -0.16 0.04 0.00 -1.26 0.00 0.00 59.98 58.60 3k1q h ARG 399 Cb 0.49 -0.05 -0.05 0.00 -1.65 0.00 0.00 29.97 28.71 3k1q h ARG 399 CO -0.07 0.66 -0.33 1.05 0.56 0.00 0.00 179.97 181.83 3k1q h GLU 400 N 0.46 -0.45 -0.40 0.04 4.11 0.36 -1.44 114.58 117.26 3k1q h GLU 400 Ca 0.08 0.03 0.08 0.00 0.07 0.00 0.00 59.36 59.62 3k1q h GLU 400 Cb 0.56 0.10 -0.09 0.00 0.50 0.00 0.00 28.75 29.82 3k1q h GLU 400 CO 0.04 -0.30 -0.36 1.79 0.07 0.00 0.00 179.01 180.25 3k1q h THR 401 N -0.47 0.19 -0.56 -1.06 1.35 -0.59 -1.02 112.91 110.76 3k1q h THR 401 Ca 0.07 0.00 0.10 0.00 -0.55 0.00 0.00 66.41 66.03 3k1q h THR 401 Cb 0.57 0.19 -0.08 0.00 -1.73 0.00 0.00 68.15 67.10 3k1q h THR 401 CO -0.29 0.00 0.12 0.22 -0.25 0.00 0.00 175.52 175.32 3k1q h TYR 402 N -0.28 0.20 -0.88 4.73 3.20 -0.92 -0.10 116.97 122.91 3k1q h TYR 402 Ca 0.16 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.06 3k1q h TYR 402 Cb 0.56 -0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.78 3k1q h TYR 402 CO -0.56 -0.01 0.53 0.82 -1.64 0.00 0.00 178.16 177.29 3k1q h ILE 403 N 0.26 1.24 -0.00 1.81 2.04 -0.88 -0.40 117.51 121.59 3k1q h ILE 403 Ca 0.29 -0.53 -0.06 0.00 1.00 0.00 0.00 64.86 65.56 3k1q h ILE 403 Cb 0.41 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.48 3k1q h ILE 403 CO -0.37 0.26 -0.27 -0.03 0.00 0.00 0.00 178.15 177.74 3k1q h MET 404 N 1.22 0.00 -0.06 2.37 4.05 -0.47 0.19 114.93 122.22 3k1q h MET 404 Ca 0.32 -0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.71 3k1q h MET 404 Cb -0.05 -0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 30.75 3k1q h MET 404 CO -0.06 0.27 -0.06 1.25 0.23 0.00 0.00 176.91 178.54 3k1q h LEU 405 N 0.00 0.16 -0.73 3.39 5.85 0.08 -1.20 115.31 122.86 3k1q h LEU 405 Ca -0.00 -0.48 0.10 0.00 0.84 0.00 0.00 57.88 58.33 3k1q h LEU 405 Cb 0.47 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.38 3k1q h LEU 405 CO 0.03 0.61 0.37 -0.07 -0.34 0.00 0.00 178.44 179.05 3k1q h LEU 406 N -0.29 0.49 -0.33 2.25 4.07 -0.70 -3.08 115.31 117.72 3k1q h LEU 406 Ca 0.01 0.06 -0.02 0.00 0.08 0.00 0.00 57.88 58.02 3k1q h LEU 406 Cb 0.57 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.27 3k1q h LEU 406 CO 0.02 0.27 0.14 -0.09 -1.08 0.00 0.00 178.44 177.70 3k1q h ARG 407 N 0.62 0.48 -1.15 1.13 2.43 -0.37 -2.19 114.38 115.34 3k1q h ARG 407 Ca 0.36 -0.08 0.33 0.00 -0.81 0.00 0.00 59.98 59.79 3k1q h ARG 407 Cb 0.39 -0.08 -0.10 0.00 -0.42 0.00 0.00 29.97 29.75 3k1q h ARG 407 CO -0.27 0.46 0.75 0.77 -1.51 0.00 0.00 179.97 180.17 3k1q h SER 408 N 0.39 0.34 1.29 -3.80 0.02 -1.20 -0.51 113.55 110.09 3k1q h SER 408 Ca 0.11 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 3k1q h SER 408 Cb 0.15 0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.75 3k1q h SER 408 CO -0.01 -0.02 -0.39 -0.03 -1.14 0.00 0.00 176.83 175.24 3k1q h MET 409 N 0.26 0.00 -6.66 3.45 1.85 -1.32 -3.48 114.93 109.02 3k1q h MET 409 Ca 0.68 0.00 -0.52 0.00 -0.61 0.00 0.00 59.70 59.25 3k1q h MET 409 Cb 1.95 0.00 0.01 0.00 0.43 0.00 0.00 31.60 33.99 3k1q h MET 409 CO -0.33 0.00 0.51 -3.38 -0.40 0.00 0.00 176.91 173.31 3k1q s HIS 410 N -3.19 3.52 -0.02 1.39 -3.43 -0.20 -2.74 115.29 110.61 3k1q s HIS 410 Ca 0.07 1.53 0.07 0.00 -0.80 0.00 0.00 55.06 55.92 3k1q s HIS 410 Cb 0.11 -3.34 -0.02 0.00 -1.43 0.00 0.00 32.58 27.89 3k1q s HIS 410 CO 0.69 -0.86 -0.22 -0.65 -2.00 0.00 0.00 174.74 171.70 3k1q s GLN 411 N -0.34 2.21 0.34 -0.38 -1.52 -0.99 -4.98 119.66 114.00 3k1q s GLN 411 Ca 0.51 -0.87 -0.14 0.00 -1.95 0.00 0.00 55.36 52.91 3k1q s GLN 411 Cb -0.31 -2.15 -0.09 0.00 -0.22 0.00 0.00 33.01 30.25 3k1q s GLN 411 CO 0.36 0.58 0.74 -0.51 -0.25 0.00 0.00 175.29 176.21 3k1q s ASP 412 N -0.71 6.73 0.20 5.90 1.11 -1.26 -4.68 116.67 123.95 3k1q s ASP 412 Ca 0.11 1.25 -0.22 0.00 0.18 0.00 0.00 52.55 53.88 3k1q s ASP 412 Cb -0.10 -2.36 0.13 0.00 1.07 0.00 0.00 42.92 41.66 3k1q s ASP 412 CO -0.00 -0.24 1.56 -0.65 1.18 0.00 0.00 175.17 177.02 3k1q h PRO 413 N 2.07 -0.08 -0.59 8.23 0.11 -1.98 -2.32 132.00 137.44 3k1q h PRO 413 Ca -0.48 0.01 0.12 0.00 0.11 0.00 0.00 66.00 65.76 3k1q h PRO 413 Cb 1.18 0.02 -0.11 0.00 0.11 0.00 0.00 31.00 32.20 3k1q h PRO 413 CO 0.65 -0.06 -0.11 1.79 -0.21 0.00 0.00 178.00 180.07 3k1q h THR 414 N -0.09 0.44 -0.78 -1.15 1.35 -1.97 0.12 112.91 110.84 3k1q h THR 414 Ca 0.26 -0.01 -0.02 0.00 -0.55 0.00 0.00 66.41 66.10 3k1q h THR 414 Cb 0.56 0.41 -0.04 0.00 -1.73 0.00 0.00 68.15 67.35 3k1q h THR 414 CO -0.85 0.00 0.42 0.06 -0.25 0.00 0.00 175.52 174.91 3k1q h GLN 415 N 0.03 1.08 -0.89 4.72 -0.00 -1.83 -1.56 115.11 116.65 3k1q h GLN 415 Ca 0.29 -0.12 0.02 0.00 -0.00 0.00 0.00 58.65 58.84 3k1q h GLN 415 Cb 0.45 -0.21 -0.05 0.00 -0.00 0.00 0.00 27.48 27.67 3k1q h GLN 415 CO -0.58 0.79 0.58 0.82 -0.00 0.00 0.00 178.83 180.44 3k1q h ILE 416 N 1.08 1.20 0.11 1.86 2.04 -0.49 -2.15 117.51 121.17 3k1q h ILE 416 Ca 0.27 -0.40 0.01 0.00 1.00 0.00 0.00 64.86 65.74 3k1q h ILE 416 Cb 0.03 -0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.02 3k1q h ILE 416 CO -0.04 0.21 -0.12 0.58 0.00 0.00 0.00 178.15 178.78 3k1q h VAL 417 N 1.18 0.72 -0.97 1.67 2.07 0.06 -1.79 116.25 119.19 3k1q h VAL 417 Ca 0.33 0.00 0.19 0.00 0.82 0.00 0.00 66.70 68.04 3k1q h VAL 417 Cb -0.10 0.72 -0.18 0.00 -1.52 0.00 0.00 31.29 30.21 3k1q h VAL 417 CO -0.08 0.00 -0.27 1.56 0.02 0.00 0.00 177.57 178.80 3k1q h GLN 418 N -0.26 -0.00 0.28 1.57 4.20 -1.13 0.87 115.11 120.63 3k1q h GLN 418 Ca 0.01 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 3k1q h GLN 418 Cb 0.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.04 3k1q h GLN 418 CO -0.04 -0.00 -0.13 0.82 -0.67 0.00 0.00 178.83 178.80 3k1q h ILE 419 N -0.00 0.73 0.64 2.54 1.08 -0.68 0.48 117.51 122.31 3k1q h ILE 419 Ca 0.45 -0.03 -0.03 0.00 -0.39 0.00 0.00 64.86 64.86 3k1q h ILE 419 Cb 0.69 0.75 0.01 0.00 -3.07 0.00 0.00 36.82 35.20 3k1q h ILE 419 CO -1.00 0.01 -0.31 0.58 -0.69 0.00 0.00 178.15 176.74 3k1q h VAL 420 N -0.38 0.32 -0.99 1.67 2.07 -1.16 0.14 116.25 117.92 3k1q h VAL 420 Ca -0.04 -0.15 0.25 0.00 0.82 0.00 0.00 66.70 67.58 3k1q h VAL 420 Cb 0.29 0.37 -0.13 0.00 -1.52 0.00 0.00 31.29 30.31 3k1q h VAL 420 CO 0.06 0.02 0.56 -1.13 0.02 0.00 0.00 177.57 177.10 3k1q h ASN 421 N -0.97 0.60 0.04 0.57 -0.73 -0.49 0.24 115.58 114.84 3k1q h ASN 421 Ca -0.09 0.15 -0.00 0.00 1.87 0.00 0.00 56.30 58.23 3k1q h ASN 421 Cb 0.69 0.06 0.00 0.00 0.27 0.00 0.00 38.32 39.35 3k1q h ASN 421 CO 0.14 0.05 -0.02 -0.33 -0.37 0.00 0.00 177.43 176.91 3k1q h GLU 422 N 0.52 -0.05 -0.94 6.67 5.08 0.55 -2.29 114.58 124.11 3k1q h GLU 422 Ca 0.64 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 59.11 3k1q h GLU 422 Cb 1.26 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 30.45 3k1q h GLU 422 CO -0.50 0.28 0.61 0.00 -1.00 0.00 0.00 179.01 178.40 3k1q h ALA 424 N 1.54 1.00 -6.99 0.00 0.00 -0.32 -3.46 119.26 111.03 3k1q h ALA 424 Ca 0.44 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.76 3k1q h ALA 424 Cb 0.41 0.00 -0.24 0.00 0.00 0.00 0.00 17.79 17.96 3k1q h ALA 424 CO -0.20 0.00 -0.92 0.09 0.00 0.00 0.00 179.25 178.21 3k1q n ASN 425 N -2.69 -0.62 0.00 0.00 3.02 -0.30 -1.17 115.26 113.49 3k1q n ASN 425 Ca -0.00 -1.19 0.00 0.00 -0.03 0.00 0.00 54.58 53.35 3k1q n ASN 425 Cb 0.17 -1.97 0.00 0.00 -0.61 0.00 0.00 39.78 37.37 3k1q n ASN 425 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3k1q n ASN 426 N -2.75 0.00 0.23 6.41 4.13 -1.24 -4.81 115.26 117.24 3k1q n ASN 426 Ca -0.14 0.00 0.11 0.00 1.68 0.00 0.00 54.58 56.23 3k1q n ASN 426 Cb 0.60 -1.23 0.70 0.00 -1.54 0.00 0.00 39.78 38.30 3k1q n ASN 426 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 3k1q h LEU 427 N 0.00 0.00 -8.59 3.41 3.38 -1.50 -3.42 115.31 108.59 3k1q h LEU 427 Ca 0.00 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.37 3k1q h LEU 427 Cb 0.00 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 40.50 3k1q h LEU 427 CO 0.00 0.00 -0.85 -0.76 0.09 0.00 0.00 178.44 176.92 3k1q s LEU 428 N -8.75 2.18 -0.06 1.67 1.02 -1.23 -4.31 118.68 109.19 3k1q s LEU 428 Ca -0.05 -0.55 -0.04 0.00 0.02 0.00 0.00 54.13 53.51 3k1q s LEU 428 Cb 0.17 -1.01 0.02 0.00 0.02 0.00 0.00 46.19 45.39 3k1q s LEU 428 CO 0.65 0.17 0.15 0.21 0.02 0.00 0.00 176.35 177.55 3k1q s ASN 429 N -1.25 -0.15 0.13 2.29 2.47 -1.26 -4.87 114.94 112.29 3k1q s ASN 429 Ca 0.08 0.31 0.07 0.00 0.42 0.00 0.00 52.86 53.74 3k1q s ASN 429 Cb -0.09 0.27 -0.04 0.00 -1.45 0.00 0.00 41.25 39.94 3k1q s ASN 429 CO 0.02 -0.09 -0.16 -0.55 -3.72 0.00 0.00 177.10 172.60 3k1q s SER 430 N 0.51 2.20 -0.50 -4.21 0.15 -1.26 -2.74 113.70 107.85 3k1q s SER 430 Ca -0.04 -0.80 -0.10 0.00 0.70 0.00 0.00 55.95 55.71 3k1q s SER 430 Cb -0.05 -0.10 0.13 0.00 -1.71 0.00 0.00 66.02 64.29 3k1q s SER 430 CO -0.02 -0.09 0.39 -0.89 1.20 0.00 0.00 173.24 173.82 3k1q s THR 431 N -1.97 4.43 -0.28 6.45 2.01 -0.23 -4.86 115.64 121.18 3k1q s THR 431 Ca 0.10 -1.80 -0.28 0.00 0.31 0.00 0.00 61.69 60.02 3k1q s THR 431 Cb -0.06 -3.89 -0.05 0.00 0.01 0.00 0.00 72.50 68.51 3k1q s THR 431 CO 0.04 -0.81 2.27 -0.63 -0.69 0.00 0.00 174.62 174.80 3k1q s ILE 432 N 1.31 3.00 0.04 1.82 1.09 -1.26 -2.89 121.20 124.31 3k1q s ILE 432 Ca 0.06 0.00 -0.19 0.00 -1.10 0.00 0.00 60.65 59.42 3k1q s ILE 432 Cb -0.26 -3.00 -0.06 0.00 -1.06 0.00 0.00 42.46 38.07 3k1q s ILE 432 CO -0.00 -0.00 0.55 -2.16 -0.10 0.00 0.00 174.94 173.23 3k1q s PRO 433 N 6.78 4.21 -0.99 2.79 0.04 -1.26 -5.03 135.00 141.53 3k1q s PRO 433 Ca 1.00 0.69 -0.13 0.00 0.04 0.00 0.00 61.00 62.61 3k1q s PRO 433 Cb -0.30 -3.27 0.23 0.00 0.04 0.00 0.00 34.50 31.20 3k1q s PRO 433 CO 0.33 0.55 1.02 0.42 0.04 0.00 0.00 177.00 179.36 3k1q s ILE 434 N -0.79 5.60 -0.01 0.56 1.09 -1.26 -5.02 121.20 121.37 3k1q s ILE 434 Ca 0.29 -2.76 -0.04 0.00 -1.10 0.00 0.00 60.65 57.04 3k1q s ILE 434 Cb -0.19 -4.61 0.00 0.00 -1.06 0.00 0.00 42.46 36.61 3k1q s ILE 434 CO 0.18 -1.21 0.08 -0.44 -0.10 0.00 0.00 174.94 173.45 3k1q s SER 435 N 2.08 0.01 0.51 3.58 0.01 -1.26 -5.15 113.70 113.48 3k1q s SER 435 Ca 0.27 -0.07 -0.23 0.00 1.31 0.00 0.00 55.95 57.23 3k1q s SER 435 Cb -0.09 0.18 -0.06 0.00 0.21 0.00 0.00 66.02 66.26 3k1q s SER 435 CO -0.08 -0.19 1.38 -0.22 0.41 0.00 0.00 173.24 174.54 3k1q s LEU 436 N -0.70 3.95 -0.58 2.44 2.96 -1.26 -4.97 118.68 120.52 3k1q s LEU 436 Ca -0.08 2.81 -0.25 0.00 -0.22 0.00 0.00 54.13 56.39 3k1q s LEU 436 Cb -0.05 -4.15 0.04 0.00 0.50 0.00 0.00 46.19 42.53 3k1q s LEU 436 CO 0.00 -1.42 1.03 -0.13 -1.32 0.00 0.00 176.35 174.52 3k1q s ARG 437 N -2.74 3.36 -1.37 1.98 0.52 -1.26 -4.96 118.95 114.47 3k1q s ARG 437 Ca 0.68 -0.16 -0.16 0.00 -0.52 0.00 0.00 55.73 55.57 3k1q s ARG 437 Cb -0.41 -4.06 0.06 0.00 0.52 0.00 0.00 34.95 31.06 3k1q s ARG 437 CO 0.50 -1.60 1.96 -0.35 0.02 0.00 0.00 175.30 175.84 3k1q n PRO 438 N 7.85 3.06 -3.91 3.54 -0.04 -1.26 -4.83 135.00 139.41 3k1q n PRO 438 Ca 0.03 -2.99 -0.29 0.00 -0.04 0.00 0.00 63.50 60.21 3k1q n PRO 438 Cb 0.48 -3.36 -0.01 0.00 -0.04 0.00 0.00 33.50 30.57 3k1q n PRO 438 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3k1q n THR 439 N 5.58 -1.46 -2.45 0.52 -2.24 -1.26 -4.82 114.28 108.15 3k1q n THR 439 Ca 0.50 -0.38 -0.38 0.00 -2.27 0.00 0.00 64.05 61.51 3k1q n THR 439 Cb 0.42 -1.27 -0.03 0.00 -2.10 0.00 0.00 70.33 67.35 3k1q n THR 439 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 3k1q s ILE 440 N -4.00 3.78 -0.95 2.28 -5.25 -1.26 -4.27 121.20 111.52 3k1q s ILE 440 Ca 0.25 -0.43 -0.24 0.00 -0.99 0.00 0.00 60.65 59.24 3k1q s ILE 440 Cb -0.14 -4.80 0.05 0.00 2.95 0.00 0.00 42.46 40.52 3k1q s ILE 440 CO 0.65 -1.71 1.40 -0.22 -1.79 0.00 0.00 174.94 173.28 3k1q s LEU 441 N 6.18 3.44 -0.40 0.37 2.96 -0.98 -4.73 118.68 125.52 3k1q s LEU 441 Ca 0.49 -1.20 0.01 0.00 -0.22 0.00 0.00 54.13 53.21 3k1q s LEU 441 Cb -0.03 -2.56 0.14 0.00 0.50 0.00 0.00 46.19 44.23 3k1q s LEU 441 CO -0.02 -1.59 0.23 0.00 -1.32 0.00 0.00 176.35 173.65 3k1q s PRO 443 N 0.64 3.74 -0.00 0.00 0.02 -1.26 -2.36 135.00 135.77 3k1q s PRO 443 Ca 0.18 -1.60 0.04 0.00 0.02 0.00 0.00 61.00 59.64 3k1q s PRO 443 Cb -0.22 -5.28 -0.05 0.00 0.02 0.00 0.00 34.50 28.97 3k1q s PRO 443 CO -0.00 -2.09 0.17 -2.67 -0.33 0.00 0.00 177.00 172.08 3k1q n TRP 444 N 7.97 0.00 -3.33 6.54 4.27 -1.24 -4.89 117.44 126.76 3k1q n TRP 444 Ca 0.35 0.00 -0.38 0.00 -3.89 0.00 0.00 57.50 53.58 3k1q n TRP 444 Cb 0.49 -0.00 -0.07 0.00 -1.36 0.00 0.00 31.31 30.36 3k1q n TRP 444 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 3k1q s PHE 445 N -1.44 3.42 -0.04 -2.67 5.36 -1.11 -4.24 117.98 117.26 3k1q s PHE 445 Ca 0.01 0.75 0.04 0.00 -0.96 0.00 0.00 56.93 56.77 3k1q s PHE 445 Cb 0.03 -2.57 0.00 0.00 -0.34 0.00 0.00 43.02 40.14 3k1q s PHE 445 CO 0.17 0.03 -0.15 0.00 -1.46 0.00 0.00 175.22 173.81 3k1q s ALA 446 N 1.17 1.38 0.54 11.12 0.00 -1.26 -4.70 121.76 130.00 3k1q s ALA 446 Ca 0.23 -0.59 -0.19 0.00 0.00 0.00 0.00 51.96 51.40 3k1q s ALA 446 Cb -0.15 -0.48 -0.09 0.00 0.00 0.00 0.00 23.12 22.40 3k1q s ALA 446 CO 0.09 0.23 0.64 0.45 0.00 0.00 0.00 175.76 177.17 3k1q n SER 447 N 3.26 -0.52 -0.34 0.00 2.88 -1.26 -4.92 113.62 112.72 3k1q n SER 447 Ca -0.19 0.80 0.14 0.00 -1.33 0.00 0.00 58.87 58.29 3k1q n SER 447 Cb 0.53 -1.22 0.33 0.00 -0.75 0.00 0.00 64.21 63.10 3k1q n SER 447 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 3k1q h SER 448 N 0.48 0.68 -0.94 -3.46 4.64 -1.86 -2.17 113.55 110.91 3k1q h SER 448 Ca -0.45 0.11 0.12 0.00 -0.47 0.00 0.00 61.79 61.10 3k1q h SER 448 Cb 1.39 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.34 3k1q h SER 448 CO 0.49 0.20 -0.48 -0.08 -0.87 0.00 0.00 176.83 176.08 3k1q h GLU 449 N 0.66 -0.03 -0.22 4.77 4.81 -1.91 0.42 114.58 123.08 3k1q h GLU 449 Ca 0.58 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.76 3k1q h GLU 449 Cb 0.98 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.35 3k1q h GLU 449 CO -0.42 -0.02 -0.12 -0.44 -0.73 0.00 0.00 179.01 177.28 3k1q h ASP 450 N -0.03 0.34 -0.90 1.04 3.45 -1.70 -1.84 116.42 116.78 3k1q h ASP 450 Ca 0.24 -0.08 -0.01 0.00 0.43 0.00 0.00 57.03 57.62 3k1q h ASP 450 Cb 0.51 -0.09 -0.04 0.00 -0.56 0.00 0.00 39.33 39.15 3k1q h ASP 450 CO -0.93 0.50 0.54 -0.07 -1.57 0.00 0.00 179.24 177.70 3k1q h LEU 451 N 0.34 1.09 0.27 1.55 3.38 -1.15 0.45 115.31 121.24 3k1q h LEU 451 Ca 0.07 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3k1q h LEU 451 Cb 0.42 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3k1q h LEU 451 CO 0.02 0.84 -0.23 0.03 0.09 0.00 0.00 178.44 179.19 3k1q h ARG 452 N 1.25 -0.50 -0.03 1.13 2.47 -0.05 0.21 114.38 118.86 3k1q h ARG 452 Ca 0.32 0.03 -0.08 0.00 -1.26 0.00 0.00 59.98 59.00 3k1q h ARG 452 Cb -0.04 0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.38 3k1q h ARG 452 CO -0.06 -0.33 -0.35 1.25 0.56 0.00 0.00 179.97 181.03 3k1q h LEU 453 N -0.52 0.06 0.08 3.04 5.85 -0.73 -1.68 115.31 121.41 3k1q h LEU 453 Ca -0.01 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 3k1q h LEU 453 Cb 0.47 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.48 3k1q h LEU 453 CO -0.03 0.41 -0.06 -0.61 -0.34 0.00 0.00 178.44 177.82 3k1q h GLN 454 N 0.05 -0.14 -0.66 1.25 5.75 -0.42 -1.65 115.11 119.30 3k1q h GLN 454 Ca 0.00 0.01 0.13 0.00 -0.15 0.00 0.00 58.65 58.64 3k1q h GLN 454 Cb 0.65 0.03 -0.13 0.00 1.07 0.00 0.00 27.48 29.11 3k1q h GLN 454 CO 0.05 -0.09 -0.24 0.93 -2.65 0.00 0.00 178.83 176.83 3k1q h GLU 455 N -0.14 -0.06 0.17 1.69 4.39 -0.49 -0.65 114.58 119.48 3k1q h GLU 455 Ca -0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 3k1q h GLU 455 Cb 0.13 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 3k1q h GLU 455 CO -0.00 -0.04 -0.08 0.28 -1.16 0.00 0.00 179.01 178.00 3k1q h VAL 456 N -0.07 0.88 -0.89 3.13 2.07 -1.04 0.22 116.25 120.55 3k1q h VAL 456 Ca 0.30 -0.22 0.19 0.00 0.82 0.00 0.00 66.70 67.80 3k1q h VAL 456 Cb 0.53 1.01 -0.17 0.00 -1.52 0.00 0.00 31.29 31.14 3k1q h VAL 456 CO -0.71 0.05 -0.15 -0.03 0.02 0.00 0.00 177.57 176.75 3k1q h MET 457 N -0.34 0.01 -0.23 1.57 1.85 -1.07 0.32 114.93 117.05 3k1q h MET 457 Ca -0.02 -0.00 0.05 0.00 -0.61 0.00 0.00 59.70 59.12 3k1q h MET 457 Cb 0.26 -0.00 -0.07 0.00 0.43 0.00 0.00 31.60 32.21 3k1q h MET 457 CO 0.04 0.01 -0.41 0.45 -0.40 0.00 0.00 176.91 176.60 3k1q h HIS 458 N 0.01 -1.18 -0.84 1.39 -0.00 -0.74 -2.18 115.15 111.61 3k1q h HIS 458 Ca 0.46 0.05 0.08 0.00 -0.00 0.00 0.00 60.37 60.96 3k1q h HIS 458 Cb 0.76 0.55 -0.06 0.00 -0.00 0.00 0.00 27.41 28.67 3k1q h HIS 458 CO -0.63 -0.46 0.55 -0.07 -0.00 0.00 0.00 177.93 177.32 3k1q h LEU 459 N -0.42 0.77 -0.38 2.43 3.38 0.23 -2.99 115.31 118.33 3k1q h LEU 459 Ca 0.10 0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.92 3k1q h LEU 459 Cb 0.60 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 3k1q h LEU 459 CO -0.46 0.48 -0.38 0.58 0.09 0.00 0.00 178.44 178.76 3k1q h VAL 460 N 0.87 1.27 0.00 1.22 2.07 -0.24 -1.32 116.25 120.12 3k1q h VAL 460 Ca 0.37 -1.55 0.00 0.00 0.82 0.00 0.00 66.70 66.34 3k1q h VAL 460 Cb 0.31 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 3k1q h VAL 460 CO -0.14 0.52 0.00 -3.20 0.02 0.00 0.00 177.57 174.77 3k1q n ASN 461 N -4.08 0.04 -4.55 0.57 5.15 -0.84 -4.17 115.26 107.37 3k1q n ASN 461 Ca -0.02 0.51 -0.42 0.00 -0.60 0.00 0.00 54.58 54.04 3k1q n ASN 461 Cb 0.54 -0.52 -0.01 0.00 -0.53 0.00 0.00 39.78 39.26 3k1q n ASN 461 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3k1q s ILE 462 N -3.03 4.17 -0.47 -1.44 1.01 -0.50 -4.92 121.20 116.03 3k1q s ILE 462 Ca 0.03 -1.54 -0.26 0.00 0.00 0.00 0.00 60.65 58.87 3k1q s ILE 462 Cb 0.04 -5.09 -0.06 0.00 0.01 0.00 0.00 42.46 37.36 3k1q s ILE 462 CO 0.12 -1.93 2.31 -0.55 0.00 0.00 0.00 174.94 174.89 3k1q s SER 463 N 4.34 4.69 0.00 3.58 0.15 -1.26 -4.68 113.70 120.52 3k1q s SER 463 Ca 0.49 1.11 0.00 0.00 0.70 0.00 0.00 55.95 58.24 3k1q s SER 463 Cb 0.01 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.82 3k1q s SER 463 CO -0.00 -2.68 0.00 -1.54 1.20 0.00 0.00 173.24 170.22 3k1q n SER 464 N 14.88 0.00 -4.67 5.45 3.41 -1.26 -4.83 113.62 126.59 3k1q n SER 464 Ca 0.34 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.58 3k1q n SER 464 Cb 0.53 -0.04 -0.09 0.00 -0.26 0.00 0.00 64.21 64.35 3k1q n SER 464 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3k1q s ASN 465 N -0.08 6.14 0.42 4.04 3.84 -1.26 -5.00 114.94 123.03 3k1q s ASN 465 Ca 0.00 0.14 0.17 0.00 0.21 0.00 0.00 52.86 53.38 3k1q s ASN 465 Cb 0.00 -2.10 1.07 0.00 -0.55 0.00 0.00 41.25 39.67 3k1q s ASN 465 CO 0.00 0.09 1.87 0.71 -2.79 0.00 0.00 177.10 176.98 3k1q h THR 466 N 4.95 0.71 0.00 -5.21 1.35 -1.91 -1.20 112.91 111.59 3k1q h THR 466 Ca -0.39 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.33 3k1q h THR 466 Cb 1.17 0.26 0.00 0.00 -1.73 0.00 0.00 68.15 67.84 3k1q h THR 466 CO 0.68 0.08 0.01 0.00 -0.25 0.00 0.00 175.52 176.03 3k1q h ALA 467 N 1.62 1.01 -0.72 6.62 0.00 -1.95 -3.22 119.26 122.62 3k1q h ALA 467 Ca 0.45 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.34 3k1q h ALA 467 Cb 1.08 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 3k1q h ALA 467 CO -0.16 -0.01 0.37 0.00 0.00 0.00 0.00 179.25 179.45 3k1q h ALA 468 N 1.98 1.29 -0.67 0.00 0.00 -1.59 -1.30 119.26 118.96 3k1q h ALA 468 Ca 0.00 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.85 3k1q h ALA 468 Cb 0.02 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.48 3k1q h ALA 468 CO 0.00 0.56 0.44 0.00 0.00 0.00 0.00 179.25 180.25 3k1q h ALA 469 N 1.39 1.78 -0.26 0.00 0.00 -1.81 -3.36 119.26 117.00 3k1q h ALA 469 Ca 0.25 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.20 3k1q h ALA 469 Cb 0.06 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.63 3k1q h ALA 469 CO -0.04 0.11 -0.10 1.25 0.00 0.00 0.00 179.25 180.47 3k1q h LEU 470 N 0.66 -0.34 -0.86 0.00 5.85 -1.41 -2.35 115.31 116.86 3k1q h LEU 470 Ca 0.29 0.09 0.11 0.00 0.84 0.00 0.00 57.88 59.22 3k1q h LEU 470 Cb 0.31 0.20 -0.08 0.00 0.37 0.00 0.00 40.66 41.46 3k1q h LEU 470 CO -0.09 -0.13 0.49 1.55 -0.34 0.00 0.00 178.44 179.92 3k1q h PRO 471 N -0.05 0.76 0.18 5.25 0.13 -1.70 0.34 132.00 136.91 3k1q h PRO 471 Ca 0.13 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 65.21 3k1q h PRO 471 Cb 0.25 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 31.21 3k1q h PRO 471 CO -0.30 0.50 -0.09 1.25 -0.23 0.00 0.00 178.00 179.14 3k1q h LEU 472 N 0.78 -0.20 -1.47 1.56 5.85 -1.66 0.23 115.31 120.40 3k1q h LEU 472 Ca 0.43 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 59.08 3k1q h LEU 472 Cb 0.46 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 3k1q h LEU 472 CO -0.28 -0.11 -0.13 1.62 -0.34 0.00 0.00 178.44 179.20 3k1q h VAL 473 N -0.28 1.16 -0.25 1.05 3.04 -0.91 0.15 116.25 120.22 3k1q h VAL 473 Ca -0.02 -0.72 -0.01 0.00 -1.01 0.00 0.00 66.70 64.93 3k1q h VAL 473 Cb 0.21 1.23 -0.01 0.00 -2.01 0.00 0.00 31.29 30.71 3k1q h VAL 473 CO 0.04 0.22 0.13 -0.08 -1.01 0.00 0.00 177.57 176.87 3k1q h GLU 474 N 0.17 0.35 -0.60 4.17 4.57 0.02 -1.90 114.58 121.36 3k1q h GLU 474 Ca 0.04 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.13 3k1q h GLU 474 Cb 0.35 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.84 3k1q h GLU 474 CO 0.02 0.34 0.23 0.00 -1.18 0.00 0.00 179.01 178.42 3k1q h ALA 475 N 1.00 1.28 -0.13 2.92 0.00 0.14 -1.43 119.26 123.04 3k1q h ALA 475 Ca 0.09 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 3k1q h ALA 475 Cb 0.09 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3k1q h ALA 475 CO -0.01 0.53 -0.21 -0.07 0.00 0.00 0.00 179.25 179.48 3k1q h LEU 476 N 0.86 0.21 -0.34 0.00 3.38 -1.01 -1.21 115.31 117.20 3k1q h LEU 476 Ca 0.20 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 58.02 3k1q h LEU 476 Cb 0.18 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3k1q h LEU 476 CO -0.02 0.44 -0.17 0.28 0.09 0.00 0.00 178.44 179.07 3k1q h SER 477 N 0.20 0.74 -0.28 -0.43 0.02 -0.60 0.19 113.55 113.39 3k1q h SER 477 Ca 0.04 -0.41 -0.00 0.00 -0.84 0.00 0.00 61.79 60.58 3k1q h SER 477 Cb 0.50 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 3k1q h SER 477 CO 0.03 0.98 0.16 0.71 -1.14 0.00 0.00 176.83 177.58 3k1q h THR 478 N 0.50 1.12 -0.65 -2.27 1.35 -0.32 0.13 112.91 112.76 3k1q h THR 478 Ca 0.08 -0.30 0.12 0.00 -0.55 0.00 0.00 66.41 65.76 3k1q h THR 478 Cb 0.70 0.81 -0.09 0.00 -1.73 0.00 0.00 68.15 67.85 3k1q h THR 478 CO 0.05 0.12 0.20 0.25 -0.25 0.00 0.00 175.52 175.88 3k1q h LEU 479 N 0.34 0.13 -0.26 3.87 6.46 -0.91 0.17 115.31 125.11 3k1q h LEU 479 Ca 0.10 0.10 -0.00 0.00 -0.12 0.00 0.00 57.88 57.96 3k1q h LEU 479 Cb 0.05 0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.08 3k1q h LEU 479 CO -0.02 0.06 0.16 0.25 -0.62 0.00 0.00 178.44 178.28 3k1q h LEU 480 N 0.34 0.31 -0.09 2.25 5.85 -0.28 -0.86 115.31 122.83 3k1q h LEU 480 Ca 0.34 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 59.03 3k1q h LEU 480 Cb 0.50 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 3k1q h LEU 480 CO -0.38 0.26 0.03 -0.09 -0.34 0.00 0.00 178.44 177.92 3k1q h ARG 481 N 0.34 0.08 0.00 1.25 2.43 0.27 -0.71 114.38 118.03 3k1q h ARG 481 Ca 0.09 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.23 3k1q h ARG 481 Cb -0.00 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.53 3k1q h ARG 481 CO -0.02 0.05 -0.15 1.03 -1.51 0.00 0.00 179.97 179.38 3k1q h SER 482 N 0.08 0.00 0.61 -3.80 0.87 -0.37 -3.27 113.55 107.66 3k1q h SER 482 Ca 0.04 0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 60.32 3k1q h SER 482 Cb 0.02 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 61.93 3k1q h SER 482 CO -0.04 0.15 -1.54 -0.37 -0.53 0.00 0.00 176.83 174.50 3k1q h VAL 483 N 0.00 1.06 -2.85 2.23 -1.51 -0.19 -3.49 116.25 111.50 3k1q h VAL 483 Ca -0.00 -2.87 -0.53 0.00 -1.23 0.00 0.00 66.70 62.07 3k1q h VAL 483 Cb 0.35 2.53 0.03 0.00 -2.13 0.00 0.00 31.29 32.07 3k1q h VAL 483 CO 0.02 0.61 0.86 0.28 -1.23 0.00 0.00 177.57 178.11 3k1q s THR 484 N -2.62 3.00 -1.12 7.19 -1.32 -0.37 -4.94 115.64 115.46 3k1q s THR 484 Ca -0.04 0.65 -0.22 0.00 -1.21 0.00 0.00 61.69 60.87 3k1q s THR 484 Cb 0.08 -3.41 -0.02 0.00 -1.51 0.00 0.00 72.50 67.64 3k1q s THR 484 CO 0.82 0.03 1.81 -2.84 -2.21 0.00 0.00 174.62 172.24 3k1q s PRO 485 N 1.57 3.05 0.02 7.08 0.02 -1.26 -4.91 135.00 140.57 3k1q s PRO 485 Ca 0.69 -1.16 -0.14 0.00 0.02 0.00 0.00 61.00 60.41 3k1q s PRO 485 Cb -0.40 -5.29 0.02 0.00 0.02 0.00 0.00 34.50 28.85 3k1q s PRO 485 CO 0.31 -3.14 0.30 -1.17 -0.33 0.00 0.00 177.00 172.97 3k1q s LEU 486 N 8.18 0.89 -0.14 -5.54 2.96 -1.26 -4.83 118.68 118.94 3k1q s LEU 486 Ca 0.62 -0.09 -0.02 0.00 -0.22 0.00 0.00 54.13 54.41 3k1q s LEU 486 Cb -0.01 1.30 0.05 0.00 0.50 0.00 0.00 46.19 48.03 3k1q s LEU 486 CO 0.05 -0.55 0.01 -0.69 -1.32 0.00 0.00 176.35 173.85 3k1q s VAL 487 N -2.09 0.52 -0.67 1.68 1.01 0.10 -4.97 120.40 115.98 3k1q s VAL 487 Ca -0.08 -0.29 -0.09 0.00 0.00 0.00 0.00 61.98 61.51 3k1q s VAL 487 Cb -0.03 -0.85 0.17 0.00 0.00 0.00 0.00 36.38 35.68 3k1q s VAL 487 CO -0.00 0.01 0.56 -0.76 0.00 0.00 0.00 175.10 174.90 3k1q s LEU 488 N 1.89 6.00 -0.75 3.92 1.43 -1.26 -1.01 118.68 128.90 3k1q s LEU 488 Ca 0.02 -2.54 0.03 0.00 -1.03 0.00 0.00 54.13 50.61 3k1q s LEU 488 Cb -0.15 -2.05 0.28 0.00 0.03 0.00 0.00 46.19 44.30 3k1q s LEU 488 CO -0.07 -0.54 0.98 -0.67 0.23 0.00 0.00 176.35 176.27 3k1q n ASP 489 N 4.07 4.58 -0.33 2.29 -0.08 -1.26 -4.97 116.55 120.85 3k1q n ASP 489 Ca 0.06 -3.48 0.15 0.00 -1.51 0.00 0.00 54.79 50.01 3k1q n ASP 489 Cb 0.42 -0.81 0.34 0.00 2.34 0.00 0.00 41.12 43.42 3k1q n ASP 489 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3k1q h PRO 490 N 4.32 0.52 -0.69 -0.67 0.13 -1.95 0.12 132.00 133.78 3k1q h PRO 490 Ca 0.21 -0.03 0.23 0.00 -0.87 0.00 0.00 66.00 65.53 3k1q h PRO 490 Cb 0.62 -0.12 -0.06 0.00 0.13 0.00 0.00 31.00 31.58 3k1q h PRO 490 CO 0.96 0.34 0.46 0.25 -0.23 0.00 0.00 178.00 179.79 3k1q n THR 491 N -4.93 -0.09 -0.12 1.56 -2.24 -1.26 0.36 114.28 107.56 3k1q n THR 491 Ca 0.24 0.78 -0.08 0.00 -2.27 0.00 0.00 64.05 62.72 3k1q n THR 491 Cb 0.68 -1.28 -0.00 0.00 -2.10 0.00 0.00 70.33 67.63 3k1q n THR 491 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 3k1q h VAL 492 N 0.00 1.11 -0.66 2.28 2.07 -1.40 -1.74 116.25 117.92 3k1q h VAL 492 Ca 0.41 -0.23 0.13 0.00 0.82 0.00 0.00 66.70 67.82 3k1q h VAL 492 Cb 1.39 0.57 -0.13 0.00 -1.52 0.00 0.00 31.29 31.61 3k1q h VAL 492 CO -0.16 0.11 -0.25 0.25 0.02 0.00 0.00 177.57 177.54 3k1q h LEU 493 N 0.52 -0.88 -0.08 2.57 5.85 -0.30 -2.75 115.31 120.23 3k1q h LEU 493 Ca 0.14 0.22 -0.00 0.00 0.84 0.00 0.00 57.88 59.08 3k1q h LEU 493 Cb -0.03 0.50 -0.00 0.00 0.37 0.00 0.00 40.66 41.49 3k1q h LEU 493 CO -0.03 -0.26 0.04 0.74 -0.34 0.00 0.00 178.44 178.59 3k1q h THR 494 N -0.07 1.09 -0.58 1.05 2.02 -1.42 0.53 112.91 115.54 3k1q h THR 494 Ca 0.29 -0.26 0.11 0.00 0.77 0.00 0.00 66.41 67.33 3k1q h THR 494 Cb 0.53 1.11 -0.11 0.00 -1.74 0.00 0.00 68.15 67.94 3k1q h THR 494 CO -0.71 0.08 -0.22 0.78 0.37 0.00 0.00 175.52 175.82 3k1q h ASN 495 N 0.03 -0.77 -0.71 4.18 4.21 -1.48 -0.56 115.58 120.48 3k1q h ASN 495 Ca 0.03 0.19 0.13 0.00 1.21 0.00 0.00 56.30 57.86 3k1q h ASN 495 Cb 0.09 0.44 -0.09 0.00 -1.12 0.00 0.00 38.32 37.64 3k1q h ASN 495 CO -0.00 -0.24 0.27 0.00 -1.29 0.00 0.00 177.43 176.16 3k1q h ALA 496 N 1.36 0.98 0.00 -0.83 0.00 -0.65 -2.20 119.26 117.92 3k1q h ALA 496 Ca 0.27 0.11 -0.10 0.00 0.00 0.00 0.00 54.91 55.19 3k1q h ALA 496 Cb 0.49 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3k1q h ALA 496 CO -0.63 -0.21 -0.45 -0.84 0.00 0.00 0.00 179.25 177.12 3k1q h ILE 497 N 0.42 1.25 0.00 0.00 -0.00 -0.79 -3.09 117.51 115.30 3k1q h ILE 497 Ca 0.38 -1.59 0.00 0.00 -0.00 0.00 0.00 64.86 63.65 3k1q h ILE 497 Cb 0.56 1.88 0.00 0.00 -0.00 0.00 0.00 36.82 39.26 3k1q h ILE 497 CO -0.38 0.44 0.00 0.35 -0.00 0.00 0.00 178.15 178.56 3k1q n THR 498 N -3.89 0.00 0.80 0.16 -2.24 -0.25 -1.95 114.28 106.92 3k1q n THR 498 Ca -0.01 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.89 3k1q n THR 498 Cb 0.49 -0.99 0.31 0.00 -2.10 0.00 0.00 70.33 68.03 3k1q n THR 498 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3k1q n THR 499 N -0.97 0.19 -3.67 4.28 -2.24 -1.17 -4.70 114.28 106.01 3k1q n THR 499 Ca 0.00 -0.13 -0.36 0.00 -2.27 0.00 0.00 64.05 61.29 3k1q n THR 499 Cb 0.00 -0.12 -0.09 0.00 -2.10 0.00 0.00 70.33 68.02 3k1q n THR 499 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3k1q s ILE 500 N -3.07 5.37 -0.11 2.28 1.01 -0.82 -5.02 121.20 120.83 3k1q s ILE 500 Ca 0.10 0.20 -0.03 0.00 0.00 0.00 0.00 60.65 60.92 3k1q s ILE 500 Cb 0.16 -3.50 -0.03 0.00 0.01 0.00 0.00 42.46 39.09 3k1q s ILE 500 CO 0.66 0.36 0.01 -0.94 0.00 0.00 0.00 174.94 175.04 3k1q s SER 501 N 0.91 5.30 0.13 3.58 1.04 -1.26 -5.08 113.70 118.33 3k1q s SER 501 Ca 0.08 0.12 -0.15 0.00 0.48 0.00 0.00 55.95 56.48 3k1q s SER 501 Cb -0.13 -1.62 0.03 0.00 0.10 0.00 0.00 66.02 64.40 3k1q s SER 501 CO 0.03 0.32 0.39 -1.61 0.98 0.00 0.00 173.24 173.36 3k1q s GLU 502 N -0.56 1.10 0.01 4.02 0.41 -1.26 -5.14 118.70 117.28 3k1q s GLU 502 Ca 0.10 -0.79 -0.30 0.00 -0.41 0.00 0.00 54.97 53.57 3k1q s GLU 502 Cb -0.12 0.46 -0.09 0.00 -1.78 0.00 0.00 34.13 32.60 3k1q s GLU 502 CO 0.02 -0.43 2.01 0.45 -0.49 0.00 0.00 175.26 176.82 3k1q n SER 503 N -0.23 4.06 0.21 -0.19 2.88 -1.26 -4.89 113.62 114.21 3k1q n SER 503 Ca -0.14 0.82 0.16 0.00 -1.33 0.00 0.00 58.87 58.37 3k1q n SER 503 Cb 0.63 -1.53 0.66 0.00 -0.75 0.00 0.00 64.21 63.23 3k1q n SER 503 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 3k1q h THR 504 N 5.82 0.12 -0.69 2.46 1.35 -2.00 -2.80 112.91 117.17 3k1q h THR 504 Ca -0.49 0.00 0.17 0.00 -0.55 0.00 0.00 66.41 65.54 3k1q h THR 504 Cb 1.24 0.52 -0.04 0.00 -1.73 0.00 0.00 68.15 68.15 3k1q h THR 504 CO 0.94 0.00 0.48 0.71 -0.25 0.00 0.00 175.52 177.40 3k1q h THR 505 N 0.00 0.73 -3.17 6.82 1.35 -2.00 -3.43 112.91 113.20 3k1q h THR 505 Ca 0.10 -0.06 -0.57 0.00 -0.55 0.00 0.00 66.41 65.33 3k1q h THR 505 Cb 1.15 0.53 -0.05 0.00 -1.73 0.00 0.00 68.15 68.05 3k1q h THR 505 CO -0.00 0.03 0.68 -1.10 -0.25 0.00 0.00 175.52 174.88 3k1q s GLN 506 N -5.18 4.34 0.53 4.72 -1.52 -1.06 -4.94 119.66 116.54 3k1q s GLN 506 Ca -0.06 1.37 0.19 0.00 -1.95 0.00 0.00 55.36 54.90 3k1q s GLN 506 Cb 0.21 -3.59 1.33 0.00 -0.22 0.00 0.00 33.01 30.74 3k1q s GLN 506 CO 0.75 -0.47 2.12 1.79 -0.25 0.00 0.00 175.29 179.23 3k1q h THR 507 N 5.27 0.90 -2.28 -0.19 1.35 -1.93 -3.43 112.91 112.61 3k1q h THR 507 Ca -0.25 0.00 -0.58 0.00 -0.55 0.00 0.00 66.41 65.03 3k1q h THR 507 Cb 1.10 0.93 -0.01 0.00 -1.73 0.00 0.00 68.15 68.44 3k1q h THR 507 CO 0.92 0.00 1.40 -0.51 -0.25 0.00 0.00 175.52 177.07 3k1q s ILE 508 N -5.03 3.22 -0.71 6.82 1.10 -1.26 -4.98 121.20 120.36 3k1q s ILE 508 Ca -0.05 0.22 -0.01 0.00 -0.51 0.00 0.00 60.65 60.30 3k1q s ILE 508 Cb 0.17 -3.31 0.18 0.00 0.15 0.00 0.00 42.46 39.66 3k1q s ILE 508 CO 0.68 -0.20 0.55 -0.55 -2.11 0.00 0.00 174.94 173.30 3k1q s SER 509 N 7.44 5.39 0.18 4.50 0.15 -1.26 -4.96 113.70 125.14 3k1q s SER 509 Ca 0.91 -3.24 -0.14 0.00 0.70 0.00 0.00 55.95 54.18 3k1q s SER 509 Cb -0.27 -1.84 0.18 0.00 -1.71 0.00 0.00 66.02 62.37 3k1q s SER 509 CO 0.34 -0.28 1.69 -0.65 1.20 0.00 0.00 173.24 175.54 3k1q h PRO 510 N 6.52 0.12 -0.44 5.44 0.11 -1.99 -1.95 132.00 139.80 3k1q h PRO 510 Ca 0.05 -0.01 0.09 0.00 0.11 0.00 0.00 66.00 66.25 3k1q h PRO 510 Cb 0.89 -0.03 -0.09 0.00 0.11 0.00 0.00 31.00 31.88 3k1q h PRO 510 CO 0.75 0.08 -0.17 0.82 -0.21 0.00 0.00 178.00 179.27 3k1q h ILE 511 N 0.12 0.44 -0.24 4.15 2.04 -2.00 -0.35 117.51 121.67 3k1q h ILE 511 Ca 0.24 0.00 -0.17 0.00 1.00 0.00 0.00 64.86 65.93 3k1q h ILE 511 Cb 0.36 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 36.88 3k1q h ILE 511 CO -0.40 0.00 -0.52 0.28 0.00 0.00 0.00 178.15 177.52 3k1q h SER 512 N -0.08 0.88 -0.03 1.72 0.02 -1.94 -2.81 113.55 111.31 3k1q h SER 512 Ca 0.21 -0.55 0.03 0.00 -0.84 0.00 0.00 61.79 60.65 3k1q h SER 512 Cb 0.41 -0.25 -0.06 0.00 0.14 0.00 0.00 62.40 62.64 3k1q h SER 512 CO -0.50 1.26 -0.38 -0.33 -1.14 0.00 0.00 176.83 175.74 3k1q h GLU 513 N 0.52 -0.50 -0.42 3.45 5.08 -0.46 -2.04 114.58 120.22 3k1q h GLU 513 Ca 0.00 0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.45 3k1q h GLU 513 Cb 1.13 0.11 -0.09 0.00 0.50 0.00 0.00 28.75 30.41 3k1q h GLU 513 CO 0.11 -0.33 -0.53 0.82 -1.00 0.00 0.00 179.01 178.08 3k1q h ILE 514 N -0.52 0.02 -0.30 3.13 2.04 -1.05 -0.27 117.51 120.55 3k1q h ILE 514 Ca 0.06 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.96 3k1q h ILE 514 Cb 0.62 0.02 -0.07 0.00 -0.74 0.00 0.00 36.82 36.65 3k1q h ILE 514 CO -0.32 0.00 -0.52 -0.07 0.00 0.00 0.00 178.15 177.25 3k1q h LEU 515 N -0.38 -1.70 -1.24 1.44 3.38 -1.45 -1.26 115.31 114.11 3k1q h LEU 515 Ca 0.09 0.22 0.14 0.00 0.09 0.00 0.00 57.88 58.41 3k1q h LEU 515 Cb 0.59 0.69 -0.07 0.00 0.09 0.00 0.00 40.66 41.96 3k1q h LEU 515 CO -0.60 -0.40 0.58 0.03 0.09 0.00 0.00 178.44 178.14 3k1q h ARG 516 N -0.42 0.73 -0.31 1.13 3.08 -1.23 -1.21 114.38 116.14 3k1q h ARG 516 Ca 0.06 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 60.00 3k1q h ARG 516 Cb 0.58 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 3k1q h ARG 516 CO -0.51 0.48 -0.08 -0.07 -1.07 0.00 0.00 179.97 178.72 3k1q h LEU 517 N 0.75 0.49 0.00 3.04 3.38 -0.16 -3.26 115.31 119.56 3k1q h LEU 517 Ca 0.45 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.31 3k1q h LEU 517 Cb 0.66 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3k1q h LEU 517 CO -0.21 0.62 0.00 0.18 0.09 0.00 0.00 178.44 179.12 3k1q n LEU 518 N -4.23 0.00 -3.53 1.67 4.77 -0.46 -4.91 117.00 110.31 3k1q n LEU 518 Ca 0.01 0.10 -0.16 0.00 -0.03 0.00 0.00 56.01 55.93 3k1q n LEU 518 Cb 0.30 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 3k1q n LEU 518 CO 0.40 -0.04 -0.03 0.00 -1.33 0.00 0.00 177.39 176.39 3k1q n GLN 519 N -1.10 -1.46 -1.48 3.23 6.02 -1.23 -4.73 117.38 116.64 3k1q n GLN 519 Ca 0.13 1.02 -0.44 0.00 -0.01 0.00 0.00 57.00 57.71 3k1q n GLN 519 Cb 0.10 -3.56 -0.09 0.00 1.02 0.00 0.00 30.24 27.70 3k1q n GLN 519 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 3k1q n PRO 520 N -2.34 0.57 0.00 -1.09 -0.02 -1.26 -4.50 135.00 126.36 3k1q n PRO 520 Ca -0.20 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.35 3k1q n PRO 520 Cb 0.62 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 3k1q n PRO 520 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3k1q n MET 521 N 8.48 0.00 -0.95 -0.52 2.81 -1.26 -5.05 117.12 120.63 3k1q n MET 521 Ca 0.51 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.40 3k1q n MET 521 Cb 0.22 -0.08 0.00 0.00 -0.71 0.00 0.00 33.22 32.65 3k1q n MET 521 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3k1q n GLY 522 N 0.30 0.23 0.07 3.03 0.00 -1.26 -4.79 105.19 102.77 3k1q n GLY 522 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 3k1q n GLY 522 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3k1q n ASN 523 N -0.51 1.71 0.06 1.61 0.23 -1.26 -4.87 115.26 112.23 3k1q n ASN 523 Ca 0.00 -0.02 0.00 0.00 -0.53 0.00 0.00 54.58 54.04 3k1q n ASN 523 Cb 0.26 0.66 0.01 0.00 -2.08 0.00 0.00 39.78 38.63 3k1q n ASN 523 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 3k1q n ASP 524 N -2.60 0.01 0.24 0.53 5.75 -1.26 -4.23 116.55 114.99 3k1q n ASP 524 Ca -0.24 0.12 0.10 0.00 -0.01 0.00 0.00 54.79 54.75 3k1q n ASP 524 Cb 0.94 -0.03 0.52 0.00 -1.03 0.00 0.00 41.12 41.51 3k1q n ASP 524 CO 0.00 0.00 0.00 1.88 -0.11 0.00 0.00 177.20 178.97 3k1q h TYR 525 N 0.00 0.00 -0.88 2.11 0.99 -1.94 -3.09 116.97 114.16 3k1q h TYR 525 Ca 0.00 0.00 0.25 0.00 2.00 0.00 0.00 58.73 60.98 3k1q h TYR 525 Cb 1.13 0.00 -0.16 0.00 1.00 0.00 0.00 36.73 38.70 3k1q h TYR 525 CO 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 178.16 178.20 3k1q n ALA 526 N -1.69 0.47 -0.01 3.88 0.00 -1.26 -1.00 120.51 120.91 3k1q n ALA 526 Ca -0.01 0.94 0.03 0.00 0.00 0.00 0.00 53.44 54.40 3k1q n ALA 526 Cb 0.39 -0.70 0.38 0.00 0.00 0.00 0.00 19.45 19.51 3k1q n ALA 526 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k1q h ALA 527 N 1.76 1.59 0.01 0.00 0.00 -1.90 -0.36 119.26 120.36 3k1q h ALA 527 Ca 0.55 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.37 3k1q h ALA 527 Cb 1.14 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3k1q h ALA 527 CO -0.82 0.34 -0.00 0.35 0.00 0.00 0.00 179.25 179.11 3k1q h PHE 528 N 0.57 -0.01 -0.63 0.00 3.57 -1.34 -1.97 116.94 117.14 3k1q h PHE 528 Ca 0.14 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.77 3k1q h PHE 528 Cb 0.05 0.00 -0.10 0.00 2.79 0.00 0.00 35.95 38.69 3k1q h PHE 528 CO 0.00 0.73 0.04 -1.49 -2.23 0.00 0.00 178.31 175.36 3k1q h TRP 529 N -0.97 0.02 -0.93 0.41 -0.00 -1.31 -2.09 115.95 111.08 3k1q h TRP 529 Ca -0.00 0.04 0.19 0.00 -0.00 0.00 0.00 58.89 59.12 3k1q h TRP 529 Cb 0.75 0.09 -0.11 0.00 -0.00 0.00 0.00 29.16 29.89 3k1q h TRP 529 CO 0.20 -0.14 0.50 0.87 -0.00 0.00 0.00 178.44 179.88 3k1q h LYS 530 N 0.15 0.60 0.22 0.49 1.57 -0.94 -1.49 116.57 117.16 3k1q h LYS 530 Ca 0.33 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 3k1q h LYS 530 Cb 0.54 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.68 3k1q h LYS 530 CO -0.51 0.40 -0.44 0.00 -0.57 0.00 0.00 179.45 178.33 3k1q h ILE 532 N -0.71 0.07 -0.91 0.00 2.04 -1.39 -1.73 117.51 114.87 3k1q h ILE 532 Ca -0.02 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.04 3k1q h ILE 532 Cb 0.67 0.07 -0.12 0.00 -0.74 0.00 0.00 36.82 36.70 3k1q h ILE 532 CO -0.17 0.00 0.46 0.00 0.00 0.00 0.00 178.15 178.44 3k1q h ALA 533 N 0.11 1.49 0.00 1.87 0.00 -1.23 0.20 119.26 121.69 3k1q h ALA 533 Ca 0.09 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 3k1q h ALA 533 Cb 0.62 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 3k1q h ALA 533 CO -0.52 -0.24 -0.09 0.66 0.00 0.00 0.00 179.25 179.07 3k1q h SER 534 N 0.52 0.00 0.05 0.00 4.64 0.09 -1.21 113.55 117.63 3k1q h SER 534 Ca 0.55 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.87 3k1q h SER 534 Cb 0.98 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.07 3k1q h SER 534 CO -0.47 0.09 -0.03 -0.50 -0.87 0.00 0.00 176.83 175.05 3k1q h TRP 535 N 0.00 0.00 -0.00 4.77 6.55 -0.03 -1.62 115.95 125.62 3k1q h TRP 535 Ca -0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 3k1q h TRP 535 Cb 0.27 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.57 3k1q h TRP 535 CO 0.00 0.03 -0.01 0.00 -1.05 0.00 0.00 178.44 177.42 3k1q n ALA 536 N -2.45 2.50 -2.41 1.49 0.00 -0.46 -4.15 120.51 115.03 3k1q n ALA 536 Ca -0.03 -0.15 -0.05 0.00 0.00 0.00 0.00 53.44 53.21 3k1q n ALA 536 Cb 0.12 -1.48 0.05 0.00 0.00 0.00 0.00 19.45 18.14 3k1q n ALA 536 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3k1q n TYR 537 N -1.27 1.29 0.24 0.00 4.02 -0.61 -3.73 117.16 117.10 3k1q n TYR 537 Ca 0.14 -1.79 0.09 0.00 -0.01 0.00 0.00 57.90 56.33 3k1q n TYR 537 Cb 0.24 -0.25 0.60 0.00 -0.02 0.00 0.00 39.34 39.91 3k1q n TYR 537 CO 0.00 0.00 0.00 -2.95 -1.01 0.00 0.00 176.86 172.90 3k1q h ASN 538 N 2.01 0.00 0.00 7.72 -1.07 -1.63 0.30 115.58 122.92 3k1q h ASN 538 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 3k1q h ASN 538 Cb 1.43 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.68 3k1q h ASN 538 CO 0.30 0.17 0.02 0.61 0.07 0.00 0.00 177.43 178.61 3k1q n GLY 539 N -0.80 -0.75 0.00 9.14 0.00 -1.15 -4.60 105.19 107.02 3k1q n GLY 539 Ca -0.02 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3k1q n GLY 539 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3k1q n LEU 540 N -2.04 0.00 -4.39 0.99 0.00 0.23 -4.69 117.00 107.10 3k1q n LEU 540 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 56.01 55.64 3k1q n LEU 540 Cb 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 43.42 43.34 3k1q n LEU 540 CO 0.07 0.00 -0.34 -0.69 0.00 0.00 0.00 177.39 176.43 3k1q s VAL 541 N -0.90 3.82 0.05 1.96 1.01 0.81 -0.72 120.40 126.43 3k1q s VAL 541 Ca 0.00 -0.34 0.07 0.00 0.00 0.00 0.00 61.98 61.71 3k1q s VAL 541 Cb 0.00 -2.76 -0.03 0.00 0.00 0.00 0.00 36.38 33.60 3k1q s VAL 541 CO 0.00 0.39 -0.21 0.42 0.00 0.00 0.00 175.10 175.70 3k1q s THR 542 N 1.42 1.70 -0.34 3.92 -4.23 -1.04 -3.73 115.64 113.34 3k1q s THR 542 Ca 0.05 -1.24 -0.14 0.00 -1.18 0.00 0.00 61.69 59.18 3k1q s THR 542 Cb -0.15 -1.48 -0.01 0.00 1.34 0.00 0.00 72.50 72.20 3k1q s THR 542 CO 0.00 0.19 0.31 0.42 -0.54 0.00 0.00 174.62 175.00 3k1q s THR 543 N -0.83 5.22 -0.00 3.99 -4.23 -1.26 -0.69 115.64 117.83 3k1q s THR 543 Ca 0.08 -0.09 0.04 0.00 -1.18 0.00 0.00 61.69 60.53 3k1q s THR 543 Cb -0.09 -3.78 -0.03 0.00 1.34 0.00 0.00 72.50 69.94 3k1q s THR 543 CO 0.02 -0.07 -0.10 0.68 -0.54 0.00 0.00 174.62 174.61 3k1q s VAL 544 N 1.88 3.38 -0.35 2.29 -7.23 -0.11 -3.09 120.40 117.17 3k1q s VAL 544 Ca 0.09 -0.84 -0.29 0.00 -1.81 0.00 0.00 61.98 59.14 3k1q s VAL 544 Cb -0.17 -2.43 0.01 0.00 0.56 0.00 0.00 36.38 34.34 3k1q s VAL 544 CO 0.11 0.42 1.31 -0.22 -0.31 0.00 0.00 175.10 176.42 3k1q s LEU 545 N -1.28 3.77 0.15 1.32 2.96 -1.26 -1.55 118.68 122.79 3k1q s LEU 545 Ca 0.15 1.02 0.03 0.00 -0.22 0.00 0.00 54.13 55.11 3k1q s LEU 545 Cb -0.11 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.01 3k1q s LEU 545 CO 0.06 -1.20 0.28 -0.55 -1.32 0.00 0.00 176.35 173.62 3k1q s SER 546 N 3.08 6.32 0.00 3.68 0.15 -1.15 -4.92 113.70 120.87 3k1q s SER 546 Ca 0.57 0.16 0.00 0.00 0.70 0.00 0.00 55.95 57.38 3k1q s SER 546 Cb -0.15 -1.90 0.00 0.00 -1.71 0.00 0.00 66.02 62.26 3k1q s SER 546 CO 0.27 0.05 1.18 1.21 1.20 0.00 0.00 173.24 177.15 3k1q n GLU 547 N -0.58 0.69 0.00 5.44 2.13 -1.26 -4.00 120.64 123.06 3k1q n GLU 547 Ca -0.07 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.75 3k1q n GLU 547 Cb 0.54 -1.16 0.00 0.00 0.27 0.00 0.00 31.44 31.09 3k1q n GLU 547 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 3k1q n ASP 548 N 1.38 0.00 -1.76 4.31 5.68 -1.26 -4.64 116.55 120.26 3k1q n ASP 548 Ca 0.00 0.00 -0.00 0.00 -0.50 0.00 0.00 54.79 54.29 3k1q n ASP 548 Cb 0.34 -0.22 -0.00 0.00 -1.14 0.00 0.00 41.12 40.10 3k1q n ASP 548 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3k1q n ALA 549 N -1.94 2.87 -2.81 2.12 0.00 -1.26 -4.77 120.51 114.72 3k1q n ALA 549 Ca 0.00 -0.05 -0.35 0.00 0.00 0.00 0.00 53.44 53.05 3k1q n ALA 549 Cb 0.00 -1.51 -0.10 0.00 0.00 0.00 0.00 19.45 17.84 3k1q n ALA 549 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3k1q s PHE 550 N 1.00 3.22 -0.91 0.00 5.36 -1.26 -4.83 117.98 120.56 3k1q s PHE 550 Ca 0.02 0.08 -0.31 0.00 -0.96 0.00 0.00 56.93 55.75 3k1q s PHE 550 Cb 0.01 -1.97 -0.20 0.00 -0.34 0.00 0.00 43.02 40.52 3k1q s PHE 550 CO 0.00 0.26 2.63 -0.35 -1.46 0.00 0.00 175.22 176.30 3k1q n PRO 551 N 3.02 0.13 -0.06 10.12 -0.04 -1.26 -4.78 135.00 142.13 3k1q n PRO 551 Ca -0.18 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.16 3k1q n PRO 551 Cb 0.53 -1.72 -0.01 0.00 -0.04 0.00 0.00 33.50 32.26 3k1q n PRO 551 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3k1q h ASP 552 N 12.66 0.88 1.73 3.54 3.32 -1.92 -1.21 116.42 135.41 3k1q h ASP 552 Ca -0.08 -0.46 -0.04 0.00 0.02 0.00 0.00 57.03 56.47 3k1q h ASP 552 Cb 1.31 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.61 3k1q h ASP 552 CO 1.34 1.24 -0.20 0.77 -1.72 0.00 0.00 179.24 180.67 3k1q h SER 553 N 0.61 0.00 0.00 6.45 4.64 -2.02 -3.48 113.55 119.76 3k1q h SER 553 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3k1q h SER 553 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 3k1q h SER 553 CO 0.11 0.20 0.00 -0.24 -0.87 0.00 0.00 176.83 176.04 3k1q n SER 554 N -3.16 0.00 0.00 4.97 2.88 -0.46 -4.93 113.62 112.92 3k1q n SER 554 Ca 0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 3k1q n SER 554 Cb 0.60 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.06 3k1q n SER 554 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3k1q n GLN 555 N 0.00 0.00 0.00 -1.46 6.02 -1.26 -4.79 117.38 115.89 3k1q n GLN 555 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3k1q n GLN 555 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 3k1q n GLN 555 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 3k1q n SER 556 N -2.29 0.00 -3.16 1.08 3.41 -1.23 -4.23 113.62 107.21 3k1q n SER 556 Ca 0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.25 3k1q n SER 556 Cb 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 63.96 3k1q n SER 556 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3k1q n ILE 557 N 0.00 4.36 -0.06 -1.33 -5.35 -1.25 -4.47 119.36 111.27 3k1q n ILE 557 Ca 0.00 -5.31 -0.03 0.00 -0.27 0.00 0.00 62.75 57.15 3k1q n ILE 557 Cb 0.00 -1.40 -0.02 0.00 -1.74 0.00 0.00 39.64 36.49 3k1q n ILE 557 CO 0.00 0.00 0.00 0.71 -1.76 0.00 0.00 176.55 175.50 3k1q h THR 558 N 2.34 0.14 -3.23 7.28 1.35 -1.92 -3.44 112.91 115.44 3k1q h THR 558 Ca 0.44 -1.12 -0.66 0.00 -0.55 0.00 0.00 66.41 64.51 3k1q h THR 558 Cb 0.35 0.29 -0.16 0.00 -1.73 0.00 0.00 68.15 66.89 3k1q h THR 558 CO 1.14 0.05 0.20 -1.00 -0.25 0.00 0.00 175.52 175.66 3k1q s HIS 559 N -1.81 2.97 0.46 4.73 3.76 -1.26 -4.97 115.29 119.17 3k1q s HIS 559 Ca -0.06 -0.39 0.37 0.00 -0.15 0.00 0.00 55.06 54.82 3k1q s HIS 559 Cb 0.01 -3.70 1.51 0.00 1.11 0.00 0.00 32.58 31.51 3k1q s HIS 559 CO 0.12 -1.13 1.50 -0.11 -0.85 0.00 0.00 174.74 174.27 3k1q n LEU 560 N 6.55 0.14 -0.05 0.89 7.94 -1.26 -0.57 117.00 130.63 3k1q n LEU 560 Ca -0.04 1.21 -0.09 0.00 -1.11 0.00 0.00 56.01 55.98 3k1q n LEU 560 Cb 0.46 -0.60 -0.03 0.00 0.53 0.00 0.00 43.42 43.78 3k1q n LEU 560 CO 0.57 -1.29 0.65 -0.65 -1.11 0.00 0.00 177.39 175.56 3k1q h PRO 561 N 0.00 -0.31 0.00 1.96 0.11 -1.99 -2.40 132.00 129.37 3k1q h PRO 561 Ca 0.87 0.02 -0.00 0.00 0.11 0.00 0.00 66.00 67.00 3k1q h PRO 561 Cb 3.03 0.07 -0.00 0.00 0.11 0.00 0.00 31.00 34.21 3k1q h PRO 561 CO -0.31 -0.21 -0.00 0.77 -0.21 0.00 0.00 178.00 178.04 3k1q h SER 562 N -0.32 0.00 0.79 -2.05 0.02 -1.23 -0.15 113.55 110.60 3k1q h SER 562 Ca 0.13 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.04 3k1q h SER 562 Cb 0.53 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.08 3k1q h SER 562 CO -0.43 0.00 -0.38 0.24 -1.14 0.00 0.00 176.83 175.12 3k1q h MET 563 N 0.00 -1.02 -0.82 3.45 2.86 -1.32 -2.35 114.93 115.73 3k1q h MET 563 Ca -0.00 0.07 0.18 0.00 -2.06 0.00 0.00 59.70 57.89 3k1q h MET 563 Cb 0.02 0.23 -0.11 0.00 0.06 0.00 0.00 31.60 31.80 3k1q h MET 563 CO 0.00 -0.67 0.33 -1.49 1.06 0.00 0.00 176.91 176.14 3k1q h TRP 564 N -1.10 0.55 -0.87 -0.22 -0.00 -0.84 -2.00 115.95 111.47 3k1q h TRP 564 Ca -0.11 0.04 0.23 0.00 -0.00 0.00 0.00 58.89 59.05 3k1q h TRP 564 Cb 0.82 -0.12 -0.14 0.00 -0.00 0.00 0.00 29.16 29.72 3k1q h TRP 564 CO -0.01 0.00 0.22 0.87 -0.00 0.00 0.00 178.44 179.52 3k1q h LYS 565 N 0.42 0.19 -0.37 0.49 1.57 -0.82 0.11 116.57 118.16 3k1q h LYS 565 Ca 0.48 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 59.18 3k1q h LYS 565 Cb 0.82 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.08 3k1q h LYS 565 CO -0.47 0.13 -0.04 0.00 -0.57 0.00 0.00 179.45 178.49 3k1q h LEU 567 N 0.49 0.00 -0.12 0.00 5.85 -0.28 -0.03 115.31 121.22 3k1q h LEU 567 Ca 0.10 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.77 3k1q h LEU 567 Cb 0.53 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.56 3k1q h LEU 567 CO 0.03 0.00 -0.11 -0.26 -0.34 0.00 0.00 178.44 177.76 3k1q h PHE 568 N 0.00 0.34 0.82 1.25 0.05 -0.71 -2.51 116.94 116.18 3k1q h PHE 568 Ca 0.07 -0.10 -0.04 0.00 3.82 0.00 0.00 57.97 61.72 3k1q h PHE 568 Cb 0.28 -0.07 0.01 0.00 2.00 0.00 0.00 35.95 38.16 3k1q h PHE 568 CO 0.00 0.68 -0.39 -0.07 -0.18 0.00 0.00 178.31 178.35 3k1q h LEU 569 N -0.10 -0.93 -1.67 1.54 3.38 -0.99 -1.12 115.31 115.42 3k1q h LEU 569 Ca 0.02 0.03 0.31 0.00 0.09 0.00 0.00 57.88 58.33 3k1q h LEU 569 Cb 0.62 0.24 -0.07 0.00 0.09 0.00 0.00 40.66 41.54 3k1q h LEU 569 CO 0.03 -0.65 0.76 0.74 0.09 0.00 0.00 178.44 179.40 3k1q h THR 570 N -1.12 0.46 0.04 0.22 2.02 -1.04 0.35 112.91 113.84 3k1q h THR 570 Ca -0.11 -0.07 -0.00 0.00 0.77 0.00 0.00 66.41 67.00 3k1q h THR 570 Cb 0.84 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 3k1q h THR 570 CO 0.18 0.03 -0.02 -0.07 0.37 0.00 0.00 175.52 176.02 3k1q h LEU 571 N 0.19 -0.05 0.02 2.58 3.38 -0.93 -3.33 115.31 117.19 3k1q h LEU 571 Ca 0.58 -0.37 0.02 0.00 0.09 0.00 0.00 57.88 58.21 3k1q h LEU 571 Cb 1.89 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 42.63 3k1q h LEU 571 CO -0.16 0.35 -0.15 0.00 0.09 0.00 0.00 178.44 178.57 3k1q h ALA 572 N 0.48 -0.20 -0.87 1.53 0.00 -0.11 -3.36 119.26 116.73 3k1q h ALA 572 Ca -0.01 -0.00 0.09 0.00 0.00 0.00 0.00 54.91 54.99 3k1q h ALA 572 Cb 0.41 0.26 -0.12 0.00 0.00 0.00 0.00 17.79 18.34 3k1q h ALA 572 CO 0.01 -0.65 -0.56 0.78 0.00 0.00 0.00 179.25 178.82 3k1q h GLY 573 N -0.26 -0.79 1.37 0.00 0.00 -0.45 -0.44 103.07 102.50 3k1q h GLY 573 Ca 0.04 0.76 0.00 0.00 0.00 0.00 0.00 47.33 48.13 3k1q h GLY 573 CO -0.13 -0.01 0.31 -2.55 0.00 0.00 0.00 176.54 174.16 3k1q h PRO 574 N -0.08 0.00 0.00 4.80 0.11 -1.76 -0.73 132.00 134.34 3k1q h PRO 574 Ca 0.16 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.21 3k1q h PRO 574 Cb 0.46 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.57 3k1q h PRO 574 CO -0.87 0.00 -0.27 0.52 -0.21 0.00 0.00 178.00 177.17 3k1q h MET 575 N 0.00 0.00 -6.69 1.05 2.86 -1.29 -3.47 114.93 107.39 3k1q h MET 575 Ca 0.00 0.00 -0.52 0.00 -2.06 0.00 0.00 59.70 57.12 3k1q h MET 575 Cb 0.62 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.29 3k1q h MET 575 CO 0.00 0.27 0.53 0.95 1.06 0.00 0.00 176.91 179.72 3k1q s THR 576 N -3.35 3.59 -0.86 2.22 -4.23 -0.28 -4.58 115.64 108.14 3k1q s THR 576 Ca 0.03 1.39 0.00 0.00 -1.18 0.00 0.00 61.69 61.93 3k1q s THR 576 Cb 0.08 -3.89 0.00 0.00 1.34 0.00 0.00 72.50 70.04 3k1q s THR 576 CO 0.67 0.25 0.17 -1.54 -0.54 0.00 0.00 174.62 173.63 3k1q n SER 577 N 2.22 0.39 -4.56 3.99 3.41 -1.18 -4.79 113.62 113.10 3k1q n SER 577 Ca 0.03 -0.61 -0.43 0.00 -0.26 0.00 0.00 58.87 57.60 3k1q n SER 577 Cb 0.45 -0.15 -0.04 0.00 -0.26 0.00 0.00 64.21 64.21 3k1q n SER 577 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3k1q s ASP 578 N -0.46 6.48 0.63 4.04 -1.08 -1.20 -4.83 116.67 120.25 3k1q s ASP 578 Ca 0.00 0.07 0.27 0.00 -0.52 0.00 0.00 52.55 52.37 3k1q s ASP 578 Cb 0.00 -2.46 1.43 0.00 -1.46 0.00 0.00 42.92 40.42 3k1q s ASP 578 CO 0.00 -1.13 1.82 -0.65 0.52 0.00 0.00 175.17 175.73 3k1q h PRO 579 N 9.17 0.00 -0.14 4.34 0.11 -1.94 -2.60 132.00 140.94 3k1q h PRO 579 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 3k1q h PRO 579 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3k1q h PRO 579 CO 1.06 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 179.57 3k1q n HIS 580 N -3.21 0.16 -0.29 0.65 8.25 -1.26 -4.68 115.22 114.84 3k1q n HIS 580 Ca 0.03 -0.08 -0.01 0.00 -0.26 0.00 0.00 57.72 57.40 3k1q n HIS 580 Cb 0.58 0.00 0.11 0.00 1.12 0.00 0.00 29.99 31.80 3k1q n HIS 580 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 3k1q h SER 581 N 3.57 0.81 -0.92 0.41 0.02 -1.81 -2.42 113.55 113.21 3k1q h SER 581 Ca 0.00 0.01 0.05 0.00 -0.84 0.00 0.00 61.79 61.00 3k1q h SER 581 Cb 0.77 -0.17 -0.06 0.00 0.14 0.00 0.00 62.40 63.08 3k1q h SER 581 CO 0.00 0.55 0.60 1.55 -1.14 0.00 0.00 176.83 178.39 3k1q h PRO 582 N 0.96 1.09 0.35 3.45 0.13 -1.86 0.23 132.00 136.35 3k1q h PRO 582 Ca 0.33 -0.07 -0.00 0.00 -0.87 0.00 0.00 66.00 65.39 3k1q h PRO 582 Cb 0.08 -0.25 -0.03 0.00 0.13 0.00 0.00 31.00 30.93 3k1q h PRO 582 CO -0.14 0.72 -0.52 0.28 -0.23 0.00 0.00 178.00 178.11 3k1q h VAL 583 N 1.12 0.00 -1.01 1.56 2.07 -1.79 -0.76 116.25 117.44 3k1q h VAL 583 Ca 0.38 0.00 0.11 0.00 0.82 0.00 0.00 66.70 68.01 3k1q h VAL 583 Cb 0.07 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 29.76 3k1q h VAL 583 CO -0.12 0.00 0.64 0.11 0.02 0.00 0.00 177.57 178.21 3k1q h LYS 584 N -0.92 1.00 -0.41 1.57 1.57 -1.19 -0.39 116.57 117.81 3k1q h LYS 584 Ca -0.04 -0.06 0.06 0.00 -1.87 0.00 0.00 60.65 58.73 3k1q h LYS 584 Cb 0.84 -0.23 -0.05 0.00 0.08 0.00 0.00 32.23 32.87 3k1q h LYS 584 CO -0.16 0.66 0.12 0.28 -0.57 0.00 0.00 179.45 179.78 3k1q h VAL 585 N 1.03 0.84 0.81 0.50 2.07 -0.36 0.84 116.25 121.98 3k1q h VAL 585 Ca 0.49 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 67.88 3k1q h VAL 585 Cb 0.43 0.55 -0.00 0.00 -1.52 0.00 0.00 31.29 30.75 3k1q h VAL 585 CO -0.25 0.05 -0.49 0.15 0.02 0.00 0.00 177.57 177.04 3k1q h PHE 586 N 0.26 -1.32 0.00 1.57 3.57 -0.30 -3.35 116.94 117.37 3k1q h PHE 586 Ca 0.19 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 3k1q h PHE 586 Cb 0.20 0.47 -0.00 0.00 2.79 0.00 0.00 35.95 39.41 3k1q h PHE 586 CO -0.17 -0.74 -0.04 1.98 -2.23 0.00 0.00 178.31 177.11 3k1q h MET 587 N -1.22 0.00 -0.77 1.11 4.05 -0.77 -1.58 114.93 115.76 3k1q h MET 587 Ca -0.11 0.00 0.15 0.00 -0.28 0.00 0.00 59.70 59.46 3k1q h MET 587 Cb 0.98 0.00 -0.14 0.00 -0.80 0.00 0.00 31.60 31.63 3k1q h MET 587 CO 0.11 0.04 -0.23 0.00 0.23 0.00 0.00 176.91 177.06 3k1q h ALA 588 N 1.96 0.41 -0.08 0.39 0.00 -0.97 0.13 119.26 121.10 3k1q h ALA 588 Ca -0.00 0.28 -0.23 0.00 0.00 0.00 0.00 54.91 54.96 3k1q h ALA 588 Cb 0.09 0.65 0.01 0.00 0.00 0.00 0.00 17.79 18.54 3k1q h ALA 588 CO 0.01 -0.46 -0.86 1.25 0.00 0.00 0.00 179.25 179.18 3k1q h LEU 589 N -0.03 0.79 -1.55 0.00 5.85 -1.47 -3.17 115.31 115.73 3k1q h LEU 589 Ca 0.35 -0.56 0.02 0.00 0.84 0.00 0.00 57.88 58.53 3k1q h LEU 589 Cb 0.57 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 3k1q h LEU 589 CO -0.80 1.35 0.32 0.00 -0.34 0.00 0.00 178.44 178.97 3k1q h ALA 590 N 0.62 1.71 0.55 1.25 0.00 -0.67 0.22 119.26 122.93 3k1q h ALA 590 Ca -0.07 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3k1q h ALA 590 Cb 1.49 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 3k1q h ALA 590 CO 0.17 0.25 -0.31 -0.91 0.00 0.00 0.00 179.25 178.45 3k1q h ASN 591 N 0.60 -0.76 -0.66 0.00 -0.26 -1.12 -2.75 115.58 110.63 3k1q h ASN 591 Ca 0.19 0.04 0.14 0.00 -0.56 0.00 0.00 56.30 56.10 3k1q h ASN 591 Cb 0.01 0.22 -0.04 0.00 -1.06 0.00 0.00 38.32 37.44 3k1q h ASN 591 CO -0.04 -0.50 0.45 0.25 -1.06 0.00 0.00 177.43 176.53 3k1q h LEU 592 N -0.80 0.28 -0.13 1.61 5.85 -0.98 -1.26 115.31 119.89 3k1q h LEU 592 Ca -0.07 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.67 3k1q h LEU 592 Cb 0.64 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.63 3k1q h LEU 592 CO 0.09 0.15 0.00 0.18 -0.34 0.00 0.00 178.44 178.52 3k1q n LEU 593 N -4.45 0.19 -4.58 2.25 4.77 0.56 -3.48 117.00 112.26 3k1q n LEU 593 Ca 0.12 -0.09 -0.40 0.00 -0.03 0.00 0.00 56.01 55.61 3k1q n LEU 593 Cb 0.52 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.56 3k1q n LEU 593 CO 0.34 0.04 1.71 0.00 -1.33 0.00 0.00 177.39 178.15 3k1q s ALA 594 N -1.97 2.39 0.00 -1.18 0.00 -0.48 -3.16 121.76 117.37 3k1q s ALA 594 Ca 0.17 0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.19 3k1q s ALA 594 Cb 0.08 -4.17 0.00 0.00 0.00 0.00 0.00 23.12 19.03 3k1q s ALA 594 CO 0.13 -3.39 0.00 0.94 0.00 0.00 0.00 175.76 173.44 3k1q n GLN 595 N 8.81 0.00 -0.04 0.00 0.00 -1.26 -4.12 117.38 120.76 3k1q n GLN 595 Ca 0.26 0.00 -0.11 0.00 -0.00 0.00 0.00 57.00 57.15 3k1q n GLN 595 Cb 0.50 0.00 -0.06 0.00 0.00 0.00 0.00 30.24 30.68 3k1q n GLN 595 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.06 175.71 3k1q h PRO 596 N 0.00 0.24 -4.20 3.69 0.11 -1.90 -3.41 132.00 126.52 3k1q h PRO 596 Ca 0.00 -0.06 -0.36 0.00 0.11 0.00 0.00 66.00 65.70 3k1q h PRO 596 Cb 0.00 -0.03 -0.31 0.00 0.11 0.00 0.00 31.00 30.77 3k1q h PRO 596 CO 0.00 0.39 -0.76 -2.00 -0.21 0.00 0.00 178.00 175.42 3k1q s GLU 597 N -5.30 0.56 0.50 1.05 2.56 -1.23 -5.13 118.70 111.70 3k1q s GLU 597 Ca -0.14 -0.15 -0.23 0.00 0.00 0.00 0.00 54.97 54.46 3k1q s GLU 597 Cb 0.06 -0.57 -0.07 0.00 2.00 0.00 0.00 34.13 35.55 3k1q s GLU 597 CO 0.70 0.04 1.19 -2.30 -0.56 0.00 0.00 175.26 174.34 3k1q n PRO 598 N 3.39 1.56 -4.34 4.30 -0.02 -1.26 -4.65 135.00 133.97 3k1q n PRO 598 Ca -0.18 0.57 -0.18 0.00 -2.02 0.00 0.00 63.50 61.68 3k1q n PRO 598 Cb 0.55 -2.35 -0.10 0.00 -0.02 0.00 0.00 33.50 31.58 3k1q n PRO 598 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3k1q s ILE 599 N -1.30 1.57 -1.03 4.25 -4.36 -1.26 -5.00 121.20 114.07 3k1q s ILE 599 Ca 0.68 -2.16 -0.23 0.00 -0.26 0.00 0.00 60.65 58.68 3k1q s ILE 599 Cb -0.47 -2.11 0.03 0.00 1.25 0.00 0.00 42.46 41.16 3k1q s ILE 599 CO 0.53 -0.55 1.59 0.00 0.24 0.00 0.00 174.94 176.76 3k1q s ALA 600 N -3.07 2.54 0.52 2.27 0.00 -1.26 -4.96 121.76 117.80 3k1q s ALA 600 Ca 0.23 -2.18 -0.05 0.00 0.00 0.00 0.00 51.96 49.96 3k1q s ALA 600 Cb 0.01 -4.55 -0.02 0.00 0.00 0.00 0.00 23.12 18.56 3k1q s ALA 600 CO 0.07 -3.87 0.82 0.96 0.00 0.00 0.00 175.76 173.74 3k1q s ILE 601 N 6.08 4.53 0.00 0.00 -5.25 -1.26 -4.43 121.20 120.86 3k1q s ILE 601 Ca 0.52 0.15 0.00 0.00 -0.99 0.00 0.00 60.65 60.34 3k1q s ILE 601 Cb -0.01 -3.74 0.00 0.00 2.95 0.00 0.00 42.46 41.66 3k1q s ILE 601 CO -0.06 -0.74 0.00 0.61 -1.79 0.00 0.00 174.94 172.96 3k1q n GLY 602 N -2.37 -1.18 2.04 6.27 0.00 -0.76 -4.99 105.19 104.20 3k1q n GLY 602 Ca 0.02 -0.72 -0.18 0.00 0.00 0.00 0.00 46.02 45.14 3k1q n GLY 602 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3k1q n VAL 603 N 0.00 0.00 0.21 1.61 0.24 -1.26 -4.78 118.33 114.35 3k1q n VAL 603 Ca 0.00 -0.25 0.05 0.00 -2.04 0.00 0.00 64.34 62.10 3k1q n VAL 603 Cb 0.00 -1.07 0.44 0.00 -1.47 0.00 0.00 33.84 31.75 3k1q n VAL 603 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 3k1q h PRO 604 N 0.00 0.00 -0.99 7.34 0.11 -2.00 -1.36 132.00 135.10 3k1q h PRO 604 Ca -0.24 0.00 0.15 0.00 0.11 0.00 0.00 66.00 66.01 3k1q h PRO 604 Cb 0.75 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 31.70 3k1q h PRO 604 CO 0.16 0.29 -0.41 0.78 -0.21 0.00 0.00 178.00 178.60 3k1q h GLY 605 N 0.98 -0.03 -3.87 -0.55 0.00 -2.03 -2.99 103.07 94.58 3k1q h GLY 605 Ca -0.00 0.55 -0.59 0.00 0.00 0.00 0.00 47.33 47.29 3k1q h GLY 605 CO 0.04 -0.17 0.65 -0.13 0.00 0.00 0.00 176.54 176.92 3k1q n MET 606 N -5.45 2.56 -1.32 4.80 0.00 -0.54 -4.82 117.12 112.35 3k1q n MET 606 Ca 0.09 -3.25 -0.35 0.00 0.00 0.00 0.00 57.70 54.19 3k1q n MET 606 Cb 0.38 -2.23 0.09 0.00 0.00 0.00 0.00 33.22 31.47 3k1q n MET 606 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 175.97 177.55 3k1q n HIS 607 N -0.99 0.53 -0.49 1.12 -0.00 -1.04 -1.83 115.22 112.51 3k1q n HIS 607 Ca 0.59 0.39 0.41 0.00 0.46 0.00 0.00 57.72 59.57 3k1q n HIS 607 Cb 1.03 -2.06 0.69 0.00 -0.12 0.00 0.00 29.99 29.53 3k1q n HIS 607 CO 0.00 0.00 0.00 0.37 0.46 0.00 0.00 176.34 177.17 3k1q h GLN 608 N -0.34 0.03 -0.29 1.57 5.75 -1.91 -2.30 115.11 117.63 3k1q h GLN 608 Ca -0.47 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.03 3k1q h GLN 608 Cb 1.33 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.87 3k1q h GLN 608 CO 0.46 0.02 0.00 0.25 -2.65 0.00 0.00 178.83 176.91 3k1q n THR 609 N -4.60 1.92 -2.64 2.39 -2.24 -1.26 -4.59 114.28 103.27 3k1q n THR 609 Ca 0.40 -1.62 -0.41 0.00 -2.27 0.00 0.00 64.05 60.14 3k1q n THR 609 Cb 1.58 -0.04 -0.04 0.00 -2.10 0.00 0.00 70.33 69.73 3k1q n THR 609 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3k1q s THR 610 N -2.30 4.33 0.51 4.28 2.01 -0.87 -5.01 115.64 118.60 3k1q s THR 610 Ca 0.37 1.88 -0.21 0.00 0.31 0.00 0.00 61.69 64.04 3k1q s THR 610 Cb 0.28 -4.20 -0.06 0.00 0.01 0.00 0.00 72.50 68.52 3k1q s THR 610 CO 0.11 0.26 1.15 -2.84 -0.69 0.00 0.00 174.62 172.61 3k1q s PRO 611 N 0.15 3.49 0.29 4.92 0.02 -1.26 -4.92 135.00 137.69 3k1q s PRO 611 Ca 0.50 1.68 0.04 0.00 0.02 0.00 0.00 61.00 63.24 3k1q s PRO 611 Cb -0.25 -2.15 0.73 0.00 0.02 0.00 0.00 34.50 32.84 3k1q s PRO 611 CO 0.31 -0.75 1.70 0.00 -0.33 0.00 0.00 177.00 177.93 3k1q h ALA 612 N 1.51 1.46 -0.96 -1.55 0.00 -1.90 -2.32 119.26 115.51 3k1q h ALA 612 Ca -0.50 0.15 0.27 0.00 0.00 0.00 0.00 54.91 54.84 3k1q h ALA 612 Cb 1.26 0.13 -0.14 0.00 0.00 0.00 0.00 17.79 19.03 3k1q h ALA 612 CO 0.58 -0.32 0.46 0.66 0.00 0.00 0.00 179.25 180.63 3k1q h SER 613 N 0.43 0.38 -0.02 0.00 4.64 -1.91 -1.67 113.55 115.40 3k1q h SER 613 Ca 0.56 0.18 0.01 0.00 -0.47 0.00 0.00 61.79 62.07 3k1q h SER 613 Cb 1.05 0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3k1q h SER 613 CO -0.51 -0.09 0.05 1.56 -0.87 0.00 0.00 176.83 176.97 3k1q h GLN 614 N 0.34 0.00 -2.87 4.77 7.50 -1.80 -3.35 115.11 119.70 3k1q h GLN 614 Ca 0.65 0.00 -0.70 0.00 0.50 0.00 0.00 58.65 59.10 3k1q h GLN 614 Cb 1.38 0.00 -0.04 0.00 0.05 0.00 0.00 27.48 28.87 3k1q h GLN 614 CO -0.59 0.00 3.17 1.19 -1.50 0.00 0.00 178.83 181.09 3k1q n PHE 615 N -3.43 2.54 -1.26 2.96 3.01 -0.63 -4.51 117.46 116.15 3k1q n PHE 615 Ca -0.02 -2.97 0.03 0.00 1.01 0.00 0.00 57.45 55.50 3k1q n PHE 615 Cb 0.13 -2.19 0.21 0.00 -0.01 0.00 0.00 39.48 37.62 3k1q n PHE 615 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3k1q n SER 616 N 2.83 2.85 -3.80 4.37 3.41 -1.26 -4.61 113.62 117.40 3k1q n SER 616 Ca 0.70 -3.43 -0.17 0.00 -0.26 0.00 0.00 58.87 55.71 3k1q n SER 616 Cb 0.24 -0.56 -0.16 0.00 -0.26 0.00 0.00 64.21 63.47 3k1q n SER 616 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 3k1q s HIS 617 N -3.05 0.28 0.28 7.33 5.65 -1.26 -4.94 115.29 119.58 3k1q s HIS 617 Ca 0.41 0.02 0.02 0.00 0.25 0.00 0.00 55.06 55.77 3k1q s HIS 617 Cb 0.36 -0.41 0.71 0.00 -1.18 0.00 0.00 32.58 32.07 3k1q s HIS 617 CO 0.03 -0.13 1.41 -2.30 -0.65 0.00 0.00 174.74 173.09 3k1q n PRO 618 N 4.24 -0.07 0.30 2.88 -0.02 -1.26 -0.99 135.00 140.08 3k1q n PRO 618 Ca -0.25 1.35 0.19 0.00 -2.02 0.00 0.00 63.50 62.76 3k1q n PRO 618 Cb 0.50 -2.15 1.02 0.00 -0.02 0.00 0.00 33.50 32.86 3k1q n PRO 618 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3k1q h GLY 619 N 0.00 0.00 -3.50 -1.23 0.00 -1.96 -3.12 103.07 93.26 3k1q h GLY 619 Ca 0.56 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.81 3k1q h GLY 619 CO -0.84 0.00 0.10 3.33 0.00 0.00 0.00 176.54 179.13 3k1q n VAL 620 N -3.43 2.70 -2.64 4.60 0.24 -0.16 -4.92 118.33 114.72 3k1q n VAL 620 Ca -0.02 -1.40 -0.43 0.00 -2.04 0.00 0.00 64.34 60.45 3k1q n VAL 620 Cb 0.15 -0.33 -0.02 0.00 -1.47 0.00 0.00 33.84 32.17 3k1q n VAL 620 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 3k1q s TRP 621 N -2.74 2.87 0.33 6.34 0.52 -1.18 -4.94 118.94 120.13 3k1q s TRP 621 Ca 0.52 0.71 -0.29 0.00 0.02 0.00 0.00 56.10 57.06 3k1q s TRP 621 Cb 0.40 -4.28 -0.11 0.00 -1.15 0.00 0.00 33.47 28.34 3k1q s TRP 621 CO 0.14 -1.19 1.43 -2.14 0.02 0.00 0.00 176.95 175.22 3k1q s PRO 622 N 4.25 4.22 0.20 4.98 0.02 -1.26 -4.85 135.00 142.56 3k1q s PRO 622 Ca 0.46 2.41 -0.16 0.00 0.02 0.00 0.00 61.00 63.72 3k1q s PRO 622 Cb -0.08 -3.03 0.19 0.00 0.02 0.00 0.00 34.50 31.59 3k1q s PRO 622 CO 0.29 -0.41 1.62 -1.35 -0.33 0.00 0.00 177.00 176.82 3k1q h PRO 623 N 3.70 -0.07 -0.26 5.54 0.11 -1.92 0.33 132.00 139.42 3k1q h PRO 623 Ca -0.49 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.66 3k1q h PRO 623 Cb 1.23 0.02 -0.05 0.00 0.11 0.00 0.00 31.00 32.30 3k1q h PRO 623 CO 0.69 -0.05 -0.37 0.78 -0.21 0.00 0.00 178.00 178.84 3k1q h GLY 624 N -0.07 -1.33 -0.69 -0.55 0.00 -1.82 0.15 103.07 98.76 3k1q h GLY 624 Ca 0.27 0.76 0.12 0.00 0.00 0.00 0.00 47.33 48.47 3k1q h GLY 624 CO -0.63 -0.33 -0.41 -2.75 0.00 0.00 0.00 176.54 172.42 3k1q h PHE 625 N -0.26 -1.17 -0.80 5.60 3.57 -1.87 -2.50 116.94 119.51 3k1q h PHE 625 Ca 0.05 0.09 -0.04 0.00 3.53 0.00 0.00 57.97 61.60 3k1q h PHE 625 Cb 0.39 0.62 -0.04 0.00 2.79 0.00 0.00 35.95 39.72 3k1q h PHE 625 CO -0.68 -0.40 0.34 -0.07 -2.23 0.00 0.00 178.31 175.27 3k1q h LEU 626 N -0.11 1.07 -7.58 0.59 3.38 -0.81 -3.36 115.31 108.49 3k1q h LEU 626 Ca 0.25 -0.15 -0.68 0.00 0.09 0.00 0.00 57.88 57.39 3k1q h LEU 626 Cb 0.56 -0.28 -0.37 0.00 0.09 0.00 0.00 40.66 40.67 3k1q h LEU 626 CO -0.81 0.93 -0.47 0.21 0.09 0.00 0.00 178.44 178.39 3k1q s ASN 627 N -6.36 5.02 0.17 -0.43 3.84 0.53 -4.96 114.94 112.76 3k1q s ASN 627 Ca -0.12 -2.71 -0.10 0.00 0.21 0.00 0.00 52.86 50.14 3k1q s ASN 627 Cb 0.16 -1.79 0.07 0.00 -0.55 0.00 0.00 41.25 39.14 3k1q s ASN 627 CO 0.83 -0.37 1.67 -0.65 -2.79 0.00 0.00 177.10 175.79 3k1q h PRO 628 N 7.12 1.00 -0.13 0.43 0.11 -1.61 -3.18 132.00 135.75 3k1q h PRO 628 Ca -0.05 -0.27 0.01 0.00 0.11 0.00 0.00 66.00 65.80 3k1q h PRO 628 Cb 0.96 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.95 3k1q h PRO 628 CO 0.69 0.94 0.08 1.96 -0.21 0.00 0.00 178.00 181.47 3k1q h GLN 629 N 0.91 0.13 -0.09 1.05 7.50 -1.93 -0.53 115.11 122.15 3k1q h GLN 629 Ca 0.18 -0.01 0.03 0.00 0.50 0.00 0.00 58.65 59.35 3k1q h GLN 629 Cb 0.43 -0.03 -0.00 0.00 0.05 0.00 0.00 27.48 27.92 3k1q h GLN 629 CO 0.01 0.09 0.07 -0.07 -1.50 0.00 0.00 178.83 177.43 3k1q h LEU 630 N 0.13 0.00 -8.34 1.46 3.38 -1.92 -3.45 115.31 106.58 3k1q h LEU 630 Ca 0.05 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.54 3k1q h LEU 630 Cb 0.04 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.73 3k1q h LEU 630 CO -0.01 0.00 1.16 -0.63 0.09 0.00 0.00 178.44 179.05 3k1q s ILE 631 N -4.88 3.55 0.00 1.22 1.01 -0.21 -4.80 121.20 117.09 3k1q s ILE 631 Ca -0.05 -0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.57 3k1q s ILE 631 Cb 0.17 -4.37 0.00 0.00 0.01 0.00 0.00 42.46 38.26 3k1q s ILE 631 CO 0.62 -1.31 0.00 -3.20 0.00 0.00 0.00 174.94 171.05 3k1q n ASN 632 N 11.61 0.00 -0.34 3.58 2.85 -1.26 -4.83 115.26 126.87 3k1q n ASN 632 Ca 0.23 0.00 0.13 0.00 -0.11 0.00 0.00 54.58 54.83 3k1q n ASN 632 Cb 0.50 0.00 0.34 0.00 1.24 0.00 0.00 39.78 41.86 3k1q n ASN 632 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3k1q h PRO 633 N 0.00 0.72 -0.21 1.20 0.11 -1.90 -1.75 132.00 130.17 3k1q h PRO 633 Ca 0.00 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 65.94 3k1q h PRO 633 Cb 0.00 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 30.94 3k1q h PRO 633 CO 0.00 0.47 -0.40 1.96 -0.21 0.00 0.00 178.00 179.82 3k1q h GLN 634 N 0.74 0.49 0.14 1.05 7.50 -1.99 -3.28 115.11 119.77 3k1q h GLN 634 Ca 0.56 -0.25 -0.36 0.00 0.50 0.00 0.00 58.65 59.10 3k1q h GLN 634 Cb 0.90 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.42 3k1q h GLN 634 CO -0.34 0.82 -1.93 1.96 -1.50 0.00 0.00 178.83 177.84 3k1q h GLN 635 N 0.41 0.30 -2.12 1.46 4.20 -1.74 -3.44 115.11 114.18 3k1q h GLN 635 Ca 0.04 -0.51 -0.54 0.00 0.06 0.00 0.00 58.65 57.69 3k1q h GLN 635 Cb 0.88 0.19 -0.41 0.00 0.30 0.00 0.00 27.48 28.45 3k1q h GLN 635 CO 0.08 1.24 -0.93 0.00 -0.67 0.00 0.00 178.83 178.55 3k1q n ALA 636 N -2.95 3.22 -0.00 3.87 0.00 -0.73 -4.89 120.51 119.02 3k1q n ALA 636 Ca -0.30 -4.01 -0.11 0.00 0.00 0.00 0.00 53.44 49.02 3k1q n ALA 636 Cb 1.06 -0.84 -0.06 0.00 0.00 0.00 0.00 19.45 19.60 3k1q n ALA 636 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3k1q h PRO 637 N 3.28 0.12 -0.76 0.00 0.13 -1.76 -2.44 132.00 130.56 3k1q h PRO 637 Ca 0.12 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3k1q h PRO 637 Cb 0.76 -0.02 -0.04 0.00 0.13 0.00 0.00 31.00 31.83 3k1q h PRO 637 CO 0.64 0.18 0.47 -0.07 -0.23 0.00 0.00 178.00 178.99 3k1q h LEU 638 N 0.03 0.90 -0.18 1.56 3.38 -1.92 -0.42 115.31 118.66 3k1q h LEU 638 Ca 0.03 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 3k1q h LEU 638 Cb 0.10 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 3k1q h LEU 638 CO -0.00 0.69 -0.17 0.25 0.09 0.00 0.00 178.44 179.29 3k1q h LEU 639 N 1.04 0.47 -0.64 1.67 5.85 -1.95 -0.79 115.31 120.95 3k1q h LEU 639 Ca 0.27 -0.47 0.13 0.00 0.84 0.00 0.00 57.88 58.65 3k1q h LEU 639 Cb -0.06 -0.13 -0.12 0.00 0.37 0.00 0.00 40.66 40.72 3k1q h LEU 639 CO -0.05 0.85 -0.20 -0.09 -0.34 0.00 0.00 178.44 178.61 3k1q h ARG 640 N 0.10 -0.03 0.04 1.25 2.43 -1.30 -0.38 114.38 116.49 3k1q h ARG 640 Ca 0.03 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.23 3k1q h ARG 640 Cb 0.71 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.22 3k1q h ARG 640 CO 0.04 -0.02 -0.43 0.00 -1.51 0.00 0.00 179.97 178.05 3k1q h ALA 641 N 1.52 -0.71 -0.40 2.80 0.00 -0.55 0.52 119.26 122.44 3k1q h ALA 641 Ca 0.30 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.23 3k1q h ALA 641 Cb 0.49 0.74 -0.09 0.00 0.00 0.00 0.00 17.79 18.94 3k1q h ALA 641 CO -0.67 -0.98 -0.20 0.35 0.00 0.00 0.00 179.25 177.76 3k1q h PHE 642 N -0.61 -0.50 -0.80 0.00 3.57 -1.01 0.12 116.94 117.72 3k1q h PHE 642 Ca 0.04 0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.62 3k1q h PHE 642 Cb 0.67 0.28 -0.05 0.00 2.79 0.00 0.00 35.95 39.64 3k1q h PHE 642 CO -0.41 -0.28 0.50 0.00 -2.23 0.00 0.00 178.31 175.90 3k1q h ALA 643 N 1.14 1.07 -0.68 2.41 0.00 -0.76 -1.26 119.26 121.18 3k1q h ALA 643 Ca 0.19 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.12 3k1q h ALA 643 Cb 0.43 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 3k1q h ALA 643 CO -0.48 0.29 0.45 0.93 0.00 0.00 0.00 179.25 180.44 3k1q h GLU 644 N 0.96 0.79 -0.56 0.00 4.39 0.14 -0.71 114.58 119.59 3k1q h GLU 644 Ca 0.33 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.96 3k1q h GLU 644 Cb 0.06 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 28.51 3k1q h GLU 644 CO -0.13 0.52 0.28 1.25 -1.16 0.00 0.00 179.01 179.77 3k1q h HIS 645 N 0.82 0.80 0.63 4.33 2.76 -0.48 -1.34 115.15 122.67 3k1q h HIS 645 Ca 0.27 -0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.38 3k1q h HIS 645 Cb 0.07 -0.25 -0.01 0.00 1.55 0.00 0.00 27.41 28.77 3k1q h HIS 645 CO -0.00 0.61 -0.43 0.82 -1.30 0.00 0.00 177.93 177.63 3k1q h ILE 646 N 0.76 0.14 -0.45 6.26 2.04 -0.04 0.27 117.51 126.49 3k1q h ILE 646 Ca 0.20 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.13 3k1q h ILE 646 Cb 0.10 0.14 -0.06 0.00 -0.74 0.00 0.00 36.82 36.25 3k1q h ILE 646 CO -0.03 0.00 0.08 -0.09 0.00 0.00 0.00 178.15 178.11 3k1q h ARG 647 N -1.01 0.20 0.24 2.37 2.43 -1.13 -1.36 114.38 116.12 3k1q h ARG 647 Ca -0.08 -0.01 -0.33 0.00 -0.81 0.00 0.00 59.98 58.75 3k1q h ARG 647 Cb 0.83 -0.05 0.03 0.00 -0.42 0.00 0.00 29.97 30.37 3k1q h ARG 647 CO 0.05 0.13 -1.46 0.00 -1.51 0.00 0.00 179.97 177.19 3k1q h ALA 648 N 1.35 -0.12 -0.01 2.80 0.00 -0.75 -3.38 119.26 119.16 3k1q h ALA 648 Ca 0.22 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 54.26 3k1q h ALA 648 Cb 0.29 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3k1q h ALA 648 CO -0.30 0.75 -0.16 -1.71 0.00 0.00 0.00 179.25 177.82 3k1q n ASN 649 N -3.69 1.77 -4.63 0.00 4.05 0.91 -4.98 115.26 108.69 3k1q n ASN 649 Ca -0.16 -1.39 -0.45 0.00 0.45 0.00 0.00 54.58 53.04 3k1q n ASN 649 Cb 1.10 0.27 -0.02 0.00 1.23 0.00 0.00 39.78 42.36 3k1q n ASN 649 CO 0.00 0.00 0.00 1.87 -3.05 0.00 0.00 177.26 176.08 3k1q n TRP 650 N 0.24 1.73 -2.11 1.20 -0.00 -0.52 -4.85 117.44 113.14 3k1q n TRP 650 Ca 0.07 0.60 -0.38 0.00 -0.00 0.00 0.00 57.50 57.79 3k1q n TRP 650 Cb 0.32 -2.34 0.00 0.00 -0.00 0.00 0.00 31.31 29.29 3k1q n TRP 650 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 177.69 176.44 3k1q s PRO 651 N -1.23 3.63 0.14 5.87 0.04 -1.26 -5.03 135.00 137.16 3k1q s PRO 651 Ca 0.62 1.94 0.03 0.00 0.04 0.00 0.00 61.00 63.62 3k1q s PRO 651 Cb -0.68 -2.41 -0.04 0.00 0.04 0.00 0.00 34.50 31.41 3k1q s PRO 651 CO 0.57 -0.71 0.25 -0.65 0.04 0.00 0.00 177.00 176.51 3k1q s GLN 652 N -2.69 3.35 0.15 4.56 1.11 -1.26 -4.95 119.66 119.94 3k1q s GLN 652 Ca 0.65 -0.63 -0.27 0.00 0.01 0.00 0.00 55.36 55.12 3k1q s GLN 652 Cb -0.33 -2.92 -0.07 0.00 -1.01 0.00 0.00 33.01 28.68 3k1q s GLN 652 CO 0.40 0.52 0.85 -2.14 0.01 0.00 0.00 175.29 174.93 3k1q s PRO 653 N -3.13 4.66 0.41 2.91 0.02 -1.21 -2.77 135.00 135.89 3k1q s PRO 653 Ca 0.34 1.28 0.04 0.00 0.02 0.00 0.00 61.00 62.68 3k1q s PRO 653 Cb -0.11 -3.31 -0.04 0.00 0.02 0.00 0.00 34.50 31.06 3k1q s PRO 653 CO 0.28 0.44 0.06 0.45 -0.33 0.00 0.00 177.00 177.89 3k1q s SER 654 N -0.74 3.18 0.04 2.53 0.15 0.17 -4.96 113.70 114.08 3k1q s SER 654 Ca 0.40 -1.54 0.05 0.00 0.70 0.00 0.00 55.95 55.55 3k1q s SER 654 Cb -0.23 0.20 -0.02 0.00 -1.71 0.00 0.00 66.02 64.26 3k1q s SER 654 CO 0.28 -0.75 -0.13 -1.83 1.20 0.00 0.00 173.24 172.01 3k1q s GLU 655 N -3.80 0.86 0.03 5.44 4.04 -1.26 -0.63 118.70 123.37 3k1q s GLU 655 Ca 0.25 -0.75 -0.20 0.00 0.04 0.00 0.00 54.97 54.30 3k1q s GLU 655 Cb 0.05 -0.85 0.04 0.00 0.02 0.00 0.00 34.13 33.39 3k1q s GLU 655 CO 0.12 0.21 0.45 -0.59 -1.84 0.00 0.00 175.26 173.61 3k1q s PHE 656 N -0.91 -0.33 0.76 4.83 -0.12 0.23 -4.92 117.98 117.52 3k1q s PHE 656 Ca 0.00 0.39 -0.11 0.00 -0.05 0.00 0.00 56.93 57.16 3k1q s PHE 656 Cb -0.08 0.25 0.05 0.00 -0.63 0.00 0.00 43.02 42.61 3k1q s PHE 656 CO 0.01 -0.57 1.08 0.20 -0.05 0.00 0.00 175.22 175.89 3k1q s GLY 657 N -1.81 1.66 0.00 1.99 0.00 -1.26 0.80 107.32 108.71 3k1q s GLY 657 Ca -0.07 0.12 0.00 0.00 0.00 0.00 0.00 44.72 44.77 3k1q s GLY 657 CO 0.00 0.48 0.00 1.58 0.00 0.00 0.00 173.10 175.16 3k1q n TYR 658 N -3.40 0.00 0.00 1.90 0.18 0.34 -4.77 117.16 111.40 3k1q n TYR 658 Ca 0.08 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.86 3k1q n TYR 658 Cb 0.54 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.50 3k1q n TYR 658 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3k1q n GLY 659 N -0.03 0.90 3.58 -7.48 0.00 -1.26 -4.37 105.19 96.54 3k1q n GLY 659 Ca 0.00 -1.15 -0.07 0.00 0.00 0.00 0.00 46.02 44.80 3k1q n GLY 659 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3k1q s SER 660 N -4.00 -0.24 -0.06 1.61 0.15 -1.26 -3.08 113.70 106.83 3k1q s SER 660 Ca 0.00 0.17 -0.27 0.00 0.70 0.00 0.00 55.95 56.55 3k1q s SER 660 Cb 0.00 0.22 -0.22 0.00 -1.71 0.00 0.00 66.02 64.31 3k1q s SER 660 CO 0.00 -0.29 1.12 0.71 1.20 0.00 0.00 173.24 175.98 3k1q h THR 661 N 2.23 1.50 -1.30 6.45 1.35 -1.94 -2.97 112.91 118.25 3k1q h THR 661 Ca -0.14 -1.50 0.41 0.00 -0.55 0.00 0.00 66.41 64.63 3k1q h THR 661 Cb 1.18 2.52 -0.12 0.00 -1.73 0.00 0.00 68.15 70.00 3k1q h THR 661 CO 0.27 0.39 0.85 -0.07 -0.25 0.00 0.00 175.52 176.70 3k1q h LEU 662 N -0.64 0.26 0.00 3.87 4.07 -1.98 0.46 115.31 121.34 3k1q h LEU 662 Ca -0.00 0.12 -0.24 0.00 0.08 0.00 0.00 57.88 57.84 3k1q h LEU 662 Cb 0.64 0.09 -0.05 0.00 1.08 0.00 0.00 40.66 42.43 3k1q h LEU 662 CO 0.00 -0.12 -1.93 1.67 -1.08 0.00 0.00 178.44 176.98 3k1q n GLN 663 N -4.62 1.72 0.00 1.13 7.27 -1.26 -5.12 117.38 116.50 3k1q n GLN 663 Ca 0.35 -0.01 0.00 0.00 0.07 0.00 0.00 57.00 57.41 3k1q n GLN 663 Cb 1.35 -1.35 0.00 0.00 2.41 0.00 0.00 30.24 32.65 3k1q n GLN 663 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3k1q n GLY 664 N 2.14 0.30 3.18 1.69 0.00 0.16 -4.50 105.19 108.16 3k1q n GLY 664 Ca -0.21 -1.15 -0.12 0.00 0.00 0.00 0.00 46.02 44.54 3k1q n GLY 664 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3k1q s SER 665 N -4.00 -0.04 0.00 1.61 1.04 -1.26 -4.11 113.70 106.93 3k1q s SER 665 Ca 0.00 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.25 3k1q s SER 665 Cb 0.00 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.40 3k1q s SER 665 CO 0.00 -0.48 0.77 0.00 0.98 0.00 0.00 173.24 174.51 3k1q n ALA 666 N 1.06 2.50 -1.39 5.32 0.00 -1.26 -4.77 120.51 121.97 3k1q n ALA 666 Ca -0.21 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 52.90 3k1q n ALA 666 Cb 0.57 -1.00 -0.16 0.00 0.00 0.00 0.00 19.45 18.86 3k1q n ALA 666 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3k1q n ASN 667 N -0.27 -0.14 0.00 0.00 5.03 -1.26 -4.63 115.26 113.98 3k1q n ASN 667 Ca 0.00 -0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 3k1q n ASN 667 Cb 0.11 -0.76 0.00 0.00 -1.02 0.00 0.00 39.78 38.11 3k1q n ASN 667 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 3k1q n LEU 668 N 8.55 0.09 0.04 3.41 4.77 -1.26 -4.37 117.00 128.22 3k1q n LEU 668 Ca 0.61 0.39 0.12 0.00 -0.03 0.00 0.00 56.01 57.10 3k1q n LEU 668 Cb 0.05 0.00 0.48 0.00 -2.33 0.00 0.00 43.42 41.62 3k1q n LEU 668 CO 0.90 0.00 0.87 0.49 -1.33 0.00 0.00 177.39 178.32 3k1q n PHE 669 N -0.40 0.29 -4.49 -1.77 3.72 -1.26 -4.88 117.46 108.66 3k1q n PHE 669 Ca 0.00 0.09 -0.31 0.00 -0.05 0.00 0.00 57.45 57.18 3k1q n PHE 669 Cb 0.00 -0.65 -0.11 0.00 -0.94 0.00 0.00 39.48 37.78 3k1q n PHE 669 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 3k1q s ILE 670 N -3.06 3.29 0.55 4.37 -4.36 -1.25 -4.82 121.20 115.91 3k1q s ILE 670 Ca 0.10 -1.01 -0.19 0.00 -0.26 0.00 0.00 60.65 59.29 3k1q s ILE 670 Cb 0.14 -2.44 -0.08 0.00 1.25 0.00 0.00 42.46 41.33 3k1q s ILE 670 CO 0.45 0.32 0.74 -2.65 0.24 0.00 0.00 174.94 174.04 3k1q n PRO 671 N 1.40 0.76 -1.64 0.37 -0.02 -1.26 -4.71 135.00 129.89 3k1q n PRO 671 Ca -0.15 0.29 -0.48 0.00 -2.02 0.00 0.00 63.50 61.14 3k1q n PRO 671 Cb 0.52 -1.88 -0.05 0.00 -0.02 0.00 0.00 33.50 32.07 3k1q n PRO 671 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3k1q n SER 672 N 0.15 2.58 0.00 2.55 2.88 -1.26 -1.62 113.62 118.90 3k1q n SER 672 Ca 0.12 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.76 3k1q n SER 672 Cb 0.46 -1.35 0.00 0.00 -0.75 0.00 0.00 64.21 62.57 3k1q n SER 672 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 3k1q n ASN 673 N 3.04 -0.22 -4.43 -3.46 4.13 -1.26 -4.94 115.26 108.11 3k1q n ASN 673 Ca 0.17 0.00 -0.33 0.00 1.68 0.00 0.00 54.58 56.10 3k1q n ASN 673 Cb 0.26 -1.33 -0.14 0.00 -1.54 0.00 0.00 39.78 37.03 3k1q n ASN 673 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 3k1q s ARG 674 N -0.54 3.01 0.14 3.52 1.81 -0.64 -0.51 118.95 125.74 3k1q s ARG 674 Ca 0.00 -0.68 0.10 0.00 -1.72 0.00 0.00 55.73 53.43 3k1q s ARG 674 Cb 0.00 -2.54 -0.04 0.00 -0.45 0.00 0.00 34.95 31.92 3k1q s ARG 674 CO 0.00 0.40 -0.22 -1.64 -0.68 0.00 0.00 175.30 173.16 3k1q s MET 675 N -0.14 1.62 0.02 3.54 -1.94 0.24 -4.64 119.30 117.99 3k1q s MET 675 Ca -0.01 -1.30 0.02 0.00 -1.71 0.00 0.00 55.69 52.70 3k1q s MET 675 Cb -0.13 -2.00 -0.04 0.00 2.01 0.00 0.00 34.83 34.67 3k1q s MET 675 CO 0.03 0.46 0.02 0.08 -0.01 0.00 0.00 175.02 175.60 3k1q s VAL 676 N -1.21 4.27 -0.18 -6.03 1.01 -1.26 0.75 120.40 117.74 3k1q s VAL 676 Ca 0.17 -0.64 -0.00 0.00 0.00 0.00 0.00 61.98 61.50 3k1q s VAL 676 Cb -0.10 -2.95 0.00 0.00 0.00 0.00 0.00 36.38 33.34 3k1q s VAL 676 CO 0.09 0.31 -0.14 -0.47 0.00 0.00 0.00 175.10 174.89 3k1q s TYR 677 N -1.17 2.82 0.37 5.22 5.04 0.19 -4.74 117.35 125.09 3k1q s TYR 677 Ca 0.22 -1.21 0.05 0.00 -2.44 0.00 0.00 57.07 53.68 3k1q s TYR 677 Cb -0.12 -1.95 0.72 0.00 0.35 0.00 0.00 41.96 40.96 3k1q s TYR 677 CO 0.13 -0.60 2.00 -1.35 -1.34 0.00 0.00 175.55 174.39 3k1q h PRO 678 N 7.70 0.64 -7.30 4.97 0.11 -1.85 0.50 132.00 136.77 3k1q h PRO 678 Ca -0.39 -0.06 -0.50 0.00 0.11 0.00 0.00 66.00 65.16 3k1q h PRO 678 Cb 1.17 -0.13 0.07 0.00 0.11 0.00 0.00 31.00 32.22 3k1q h PRO 678 CO 0.60 0.47 0.38 -1.58 -0.21 0.00 0.00 178.00 177.67 3k1q s TRP 679 N -5.45 3.26 0.30 0.65 0.52 -1.25 -3.30 118.94 113.67 3k1q s TRP 679 Ca -0.09 1.41 -0.26 0.00 0.02 0.00 0.00 56.10 57.18 3k1q s TRP 679 Cb 0.17 -2.85 -0.10 0.00 -1.15 0.00 0.00 33.47 29.54 3k1q s TRP 679 CO 0.75 -0.98 0.93 -2.14 0.02 0.00 0.00 176.95 175.53 3k1q s PRO 680 N -4.80 4.61 -0.37 4.98 0.02 -1.11 -3.39 135.00 134.93 3k1q s PRO 680 Ca 0.58 1.33 -0.15 0.00 0.02 0.00 0.00 61.00 62.78 3k1q s PRO 680 Cb -0.13 -2.88 -0.00 0.00 0.02 0.00 0.00 34.50 31.51 3k1q s PRO 680 CO 0.49 0.32 0.36 1.21 -0.33 0.00 0.00 177.00 179.05 3k1q s ASN 681 N -1.55 6.16 -0.32 2.53 2.47 -1.26 -4.53 114.94 118.44 3k1q s ASN 681 Ca 0.48 -0.42 -0.10 0.00 0.42 0.00 0.00 52.86 53.25 3k1q s ASN 681 Cb -0.20 -2.19 0.00 0.00 -1.45 0.00 0.00 41.25 37.41 3k1q s ASN 681 CO 0.25 -0.40 0.15 -1.58 -3.72 0.00 0.00 177.10 171.81 3k1q s GLN 682 N 1.98 3.22 0.38 0.43 -0.44 0.38 -5.03 119.66 120.59 3k1q s GLN 682 Ca 0.11 -0.80 -0.27 0.00 -2.50 0.00 0.00 55.36 51.89 3k1q s GLN 682 Cb -0.17 -3.57 -0.11 0.00 -1.64 0.00 0.00 33.01 27.52 3k1q s GLN 682 CO 0.12 -0.47 1.42 -0.35 0.50 0.00 0.00 175.29 176.51 3k1q n PRO 683 N 4.97 2.46 -3.44 1.67 -0.04 -1.26 -3.90 135.00 135.45 3k1q n PRO 683 Ca -0.14 0.86 -0.39 0.00 -0.04 0.00 0.00 63.50 63.80 3k1q n PRO 683 Cb 0.48 -2.57 -0.09 0.00 -0.04 0.00 0.00 33.50 31.28 3k1q n PRO 683 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3k1q s LEU 684 N -1.89 4.04 0.30 1.53 2.96 -1.26 -4.98 118.68 119.39 3k1q s LEU 684 Ca 0.55 0.22 -0.15 0.00 -0.22 0.00 0.00 54.13 54.54 3k1q s LEU 684 Cb -0.49 -2.35 -0.09 0.00 0.50 0.00 0.00 46.19 43.76 3k1q s LEU 684 CO 0.62 -0.14 0.71 -2.16 -1.32 0.00 0.00 176.35 174.06 3k1q s PRO 685 N 1.94 3.99 -0.95 0.98 0.04 -1.26 -4.99 135.00 134.75 3k1q s PRO 685 Ca 0.13 0.63 -0.20 0.00 0.04 0.00 0.00 61.00 61.60 3k1q s PRO 685 Cb -0.16 -2.49 -0.11 0.00 0.04 0.00 0.00 34.50 31.79 3k1q s PRO 685 CO 0.10 0.19 1.98 0.54 0.04 0.00 0.00 177.00 179.85 3k1q n ARG 686 N -0.27 1.82 0.00 4.56 1.74 -1.26 -4.80 116.66 118.45 3k1q n ARG 686 Ca 0.03 -2.07 0.00 0.00 -0.77 0.00 0.00 57.85 55.04 3k1q n ARG 686 Cb 0.53 -3.06 0.00 0.00 -1.02 0.00 0.00 32.46 28.91 3k1q n ARG 686 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3k1q n LEU 687 N 7.70 0.00 0.00 0.55 7.94 -1.26 -4.91 117.00 127.02 3k1q n LEU 687 Ca 0.50 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.40 3k1q n LEU 687 Cb 0.41 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.36 3k1q n LEU 687 CO 0.98 0.00 0.00 0.35 -1.11 0.00 0.00 177.39 177.61 3k1q n THR 688 N 0.00 0.00 -3.25 1.96 -2.24 -1.26 -3.41 114.28 106.08 3k1q n THR 688 Ca 0.00 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.49 3k1q n THR 688 Cb 0.00 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.20 3k1q n THR 688 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3k1q s VAL 689 N 3.58 4.97 -0.28 2.28 1.01 -1.00 -4.70 120.40 126.26 3k1q s VAL 689 Ca 0.00 0.21 -0.16 0.00 0.00 0.00 0.00 61.98 62.02 3k1q s VAL 689 Cb 0.00 -3.72 0.09 0.00 0.00 0.00 0.00 36.38 32.75 3k1q s VAL 689 CO 0.00 -0.33 0.74 0.00 0.00 0.00 0.00 175.10 175.51 3k1q s ALA 690 N -2.11 -1.95 -1.20 5.51 0.00 -1.26 -5.08 121.76 115.66 3k1q s ALA 690 Ca 0.46 2.38 -0.17 0.00 0.00 0.00 0.00 51.96 54.63 3k1q s ALA 690 Cb -0.11 -1.48 0.11 0.00 0.00 0.00 0.00 23.12 21.65 3k1q s ALA 690 CO 0.29 -0.37 1.53 -1.25 0.00 0.00 0.00 175.76 175.96 3k1q s PRO 691 N 1.56 3.95 -0.77 0.00 0.04 -1.26 -4.98 135.00 133.53 3k1q s PRO 691 Ca -0.10 -2.10 -0.22 0.00 0.04 0.00 0.00 61.00 58.62 3k1q s PRO 691 Cb -0.05 -5.28 0.08 0.00 0.04 0.00 0.00 34.50 29.29 3k1q s PRO 691 CO -0.19 -2.02 1.08 0.95 0.04 0.00 0.00 177.00 176.87 3k1q s THR 692 N 3.16 4.34 0.56 1.26 -4.23 -1.26 -4.88 115.64 114.58 3k1q s THR 692 Ca 0.47 -0.66 0.35 0.00 -1.18 0.00 0.00 61.69 60.67 3k1q s THR 692 Cb 0.00 -4.77 0.38 0.00 1.34 0.00 0.00 72.50 69.45 3k1q s THR 692 CO 0.01 -1.56 2.25 1.88 -0.54 0.00 0.00 174.62 176.67 3k1q h TYR 693 N 9.44 0.00 0.00 3.99 0.05 -1.93 -3.38 116.97 125.13 3k1q h TYR 693 Ca -0.12 0.00 -0.17 0.00 0.05 0.00 0.00 58.73 58.49 3k1q h TYR 693 Cb 1.05 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.78 3k1q h TYR 693 CO 1.07 0.02 1.16 -0.40 -1.05 0.00 0.00 178.16 178.96 3k1q n ASP 694 N -3.47 2.82 -4.56 3.88 5.75 -1.26 -4.66 116.55 115.04 3k1q n ASP 694 Ca -0.03 -2.06 -0.26 0.00 -0.01 0.00 0.00 54.79 52.43 3k1q n ASP 694 Cb 0.12 -0.75 -0.09 0.00 -1.03 0.00 0.00 41.12 39.37 3k1q n ASP 694 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3k1q s SER 695 N 3.24 4.19 0.18 -1.12 1.04 -1.26 -5.04 113.70 114.92 3k1q s SER 695 Ca 0.27 -0.63 -0.14 0.00 0.48 0.00 0.00 55.95 55.94 3k1q s SER 695 Cb 0.10 -0.68 0.15 0.00 0.10 0.00 0.00 66.02 65.69 3k1q s SER 695 CO -0.01 0.09 1.72 0.00 0.98 0.00 0.00 173.24 176.01 3k1q h ALA 696 N 2.80 0.48 -0.51 5.32 0.00 -1.91 -2.00 119.26 123.44 3k1q h ALA 696 Ca -0.46 0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.55 3k1q h ALA 696 Cb 1.21 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 3k1q h ALA 696 CO 0.55 -0.33 0.34 1.98 0.00 0.00 0.00 179.25 181.78 3k1q h MET 697 N 0.20 0.67 -0.55 0.00 1.85 -1.94 -2.25 114.93 112.91 3k1q h MET 697 Ca 0.22 -0.04 0.06 0.00 -0.61 0.00 0.00 59.70 59.33 3k1q h MET 697 Cb 0.29 -0.15 -0.05 0.00 0.43 0.00 0.00 31.60 32.12 3k1q h MET 697 CO -0.30 0.45 0.26 0.77 -0.40 0.00 0.00 176.91 177.69 3k1q h SER 698 N 0.69 0.36 -0.59 1.39 0.02 -1.64 -1.80 113.55 111.98 3k1q h SER 698 Ca 0.19 0.04 0.11 0.00 -0.84 0.00 0.00 61.79 61.28 3k1q h SER 698 Cb -0.08 -0.02 -0.08 0.00 0.14 0.00 0.00 62.40 62.36 3k1q h SER 698 CO -0.04 0.24 0.14 -1.13 -1.14 0.00 0.00 176.83 174.90 3k1q h ASN 699 N 0.50 0.05 -0.10 3.07 -0.00 -1.04 -1.12 115.58 116.93 3k1q h ASN 699 Ca 0.25 0.10 -0.07 0.00 -0.00 0.00 0.00 56.30 56.59 3k1q h ASN 699 Cb 0.20 0.13 -0.02 0.00 -0.00 0.00 0.00 38.32 38.63 3k1q h ASN 699 CO -0.19 0.04 -0.12 -0.25 -0.00 0.00 0.00 177.43 176.90 3k1q h TRP 700 N 0.28 0.47 0.97 0.67 2.91 -0.83 -2.24 115.95 118.19 3k1q h TRP 700 Ca 0.30 -0.07 -0.05 0.00 1.13 0.00 0.00 58.89 60.21 3k1q h TRP 700 Cb 0.43 -0.13 0.01 0.00 -0.51 0.00 0.00 29.16 28.96 3k1q h TRP 700 CO -0.23 0.56 -0.47 0.82 -1.03 0.00 0.00 178.44 178.09 3k1q h ILE 701 N 0.41 0.00 -0.91 2.65 2.04 -0.46 -2.58 117.51 118.66 3k1q h ILE 701 Ca 0.08 -0.01 0.08 0.00 1.00 0.00 0.00 64.86 66.02 3k1q h ILE 701 Cb 0.47 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.44 3k1q h ILE 701 CO 0.03 0.00 -0.56 0.77 0.00 0.00 0.00 178.15 178.39 3k1q h SER 702 N -1.31 -2.04 -0.63 1.72 4.64 -1.35 -1.73 113.55 112.84 3k1q h SER 702 Ca -0.13 0.31 0.01 0.00 -0.47 0.00 0.00 61.79 61.51 3k1q h SER 702 Cb 1.00 0.90 -0.03 0.00 -0.31 0.00 0.00 62.40 63.96 3k1q h SER 702 CO 0.22 -0.23 0.41 0.71 -0.87 0.00 0.00 176.83 177.07 3k1q h THR 703 N -0.03 1.14 -0.78 2.95 1.35 -1.46 -0.10 112.91 115.98 3k1q h THR 703 Ca 0.15 -0.29 0.07 0.00 -0.55 0.00 0.00 66.41 65.79 3k1q h THR 703 Cb 0.40 0.23 -0.06 0.00 -1.73 0.00 0.00 68.15 66.99 3k1q h THR 703 CO -0.87 0.15 0.46 0.74 -0.25 0.00 0.00 175.52 175.75 3k1q h THR 704 N 0.83 0.98 -0.60 6.82 2.02 -0.96 0.12 112.91 122.12 3k1q h THR 704 Ca 0.24 -0.28 -0.06 0.00 0.77 0.00 0.00 66.41 67.07 3k1q h THR 704 Cb -0.06 0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 66.41 3k1q h THR 704 CO -0.07 0.15 0.13 0.40 0.37 0.00 0.00 175.52 176.50 3k1q h ILE 705 N 0.83 1.25 -0.11 3.11 1.08 -0.69 -1.35 117.51 121.64 3k1q h ILE 705 Ca 0.35 -0.94 -0.08 0.00 -0.39 0.00 0.00 64.86 63.80 3k1q h ILE 705 Cb 0.22 0.71 -0.01 0.00 -3.07 0.00 0.00 36.82 34.67 3k1q h ILE 705 CO -0.19 0.35 -0.31 0.00 -0.69 0.00 0.00 178.15 177.30 3k1q h ALA 706 N 1.03 1.28 0.14 1.87 0.00 -0.93 0.18 119.26 122.83 3k1q h ALA 706 Ca 0.19 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3k1q h ALA 706 Cb 0.38 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3k1q h ALA 706 CO 0.01 0.49 -0.07 0.35 0.00 0.00 0.00 179.25 180.04 3k1q h PHE 707 N 0.18 -0.17 -0.61 0.00 3.57 -0.21 -1.38 116.94 118.32 3k1q h PHE 707 Ca 0.02 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3k1q h PHE 707 Cb 0.65 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.41 3k1q h PHE 707 CO 0.01 0.01 0.39 0.74 -2.23 0.00 0.00 178.31 177.23 3k1q h PHE 708 N -0.32 0.78 -0.51 0.41 -1.00 -0.81 -1.29 116.94 114.20 3k1q h PHE 708 Ca -0.02 0.01 0.01 0.00 2.81 0.00 0.00 57.97 60.78 3k1q h PHE 708 Cb 0.25 -0.26 -0.03 0.00 3.61 0.00 0.00 35.95 39.53 3k1q h PHE 708 CO -0.03 0.50 0.33 0.82 -1.61 0.00 0.00 178.31 178.33 3k1q h ILE 709 N 0.83 1.12 -0.19 -0.55 2.04 -0.76 -0.47 117.51 119.54 3k1q h ILE 709 Ca 0.22 -0.23 0.02 0.00 1.00 0.00 0.00 64.86 65.88 3k1q h ILE 709 Cb -0.08 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 36.36 3k1q h ILE 709 CO -0.05 0.12 0.03 0.03 0.00 0.00 0.00 178.15 178.29 3k1q h ARG 710 N 0.67 0.10 -0.97 2.37 3.08 -0.44 0.11 114.38 119.30 3k1q h ARG 710 Ca 0.19 -0.01 0.12 0.00 0.07 0.00 0.00 59.98 60.36 3k1q h ARG 710 Cb -0.06 -0.02 -0.14 0.00 0.08 0.00 0.00 29.97 29.83 3k1q h ARG 710 CO -0.05 0.07 -0.48 0.28 -1.07 0.00 0.00 179.97 178.71 3k1q h VAL 711 N 0.10 0.01 -0.40 2.04 2.07 -0.74 0.71 116.25 120.03 3k1q h VAL 711 Ca 0.08 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.66 3k1q h VAL 711 Cb 0.08 0.01 -0.05 0.00 -1.52 0.00 0.00 31.29 29.81 3k1q h VAL 711 CO -0.12 0.00 0.12 0.58 0.02 0.00 0.00 177.57 178.18 3k1q h VAL 712 N -0.02 0.85 -0.00 2.57 2.07 -0.24 -2.75 116.25 118.73 3k1q h VAL 712 Ca 0.25 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.68 3k1q h VAL 712 Cb 0.51 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 3k1q h VAL 712 CO -0.95 0.05 -0.01 0.59 0.02 0.00 0.00 177.57 177.28 3k1q n ASN 713 N -5.04 0.06 -4.74 0.57 4.13 0.29 -4.06 115.26 106.46 3k1q n ASN 713 Ca 0.03 -0.62 -0.41 0.00 1.68 0.00 0.00 54.58 55.25 3k1q n ASN 713 Cb 0.16 -0.13 -0.02 0.00 -1.54 0.00 0.00 39.78 38.25 3k1q n ASN 713 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 3k1q s SER 714 N -2.27 6.66 0.23 6.41 0.15 0.23 -4.72 113.70 120.39 3k1q s SER 714 Ca 0.38 2.64 -0.15 0.00 0.70 0.00 0.00 55.95 59.52 3k1q s SER 714 Cb 0.21 -2.62 0.26 0.00 -1.71 0.00 0.00 66.02 62.16 3k1q s SER 714 CO 0.41 -0.71 1.58 0.58 1.20 0.00 0.00 173.24 176.30 3k1q h VAL 715 N 3.62 0.11 -0.83 4.45 2.07 -1.89 0.39 116.25 124.18 3k1q h VAL 715 Ca -0.45 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.31 3k1q h VAL 715 Cb 1.22 0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 3k1q h VAL 715 CO 0.79 0.00 0.68 -0.55 0.02 0.00 0.00 177.57 178.51 3k1q h ASN 716 N -0.05 0.00 0.03 0.57 -1.07 -1.96 -1.93 115.58 111.18 3k1q h ASN 716 Ca 0.34 0.00 -0.39 0.00 0.07 0.00 0.00 56.30 56.32 3k1q h ASN 716 Cb 0.59 0.00 -0.06 0.00 -2.07 0.00 0.00 38.32 36.79 3k1q h ASN 716 CO -0.85 0.00 -2.29 0.80 0.07 0.00 0.00 177.43 175.15 3k1q n MET 717 N -4.01 0.65 -0.31 4.14 0.00 0.12 -4.55 117.12 113.17 3k1q n MET 717 Ca 0.17 0.23 0.12 0.00 0.00 0.00 0.00 57.70 58.23 3k1q n MET 717 Cb 0.97 -1.57 0.30 0.00 0.00 0.00 0.00 33.22 32.91 3k1q n MET 717 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 175.97 177.76 3k1q h THR 718 N -0.27 0.55 -0.09 1.12 1.35 -0.33 -1.04 112.91 114.20 3k1q h THR 718 Ca -0.55 -0.16 -0.03 0.00 -0.55 0.00 0.00 66.41 65.11 3k1q h THR 718 Cb 1.82 0.02 -0.01 0.00 -1.73 0.00 0.00 68.15 68.26 3k1q h THR 718 CO -0.13 0.09 -0.07 0.00 -0.25 0.00 0.00 175.52 175.16 3k1q h ALA 719 N 1.67 1.73 -0.00 6.62 0.00 -1.77 -2.62 119.26 124.89 3k1q h ALA 719 Ca 0.55 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.34 3k1q h ALA 719 Cb 0.98 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3k1q h ALA 719 CO -0.48 0.20 -0.17 0.25 0.00 0.00 0.00 179.25 179.05 3k1q n THR 720 N -4.39 0.00 -4.46 0.00 -2.24 -0.40 -4.94 114.28 97.86 3k1q n THR 720 Ca -0.01 -0.05 -0.27 0.00 -2.27 0.00 0.00 64.05 61.45 3k1q n THR 720 Cb 0.19 -0.03 -0.13 0.00 -2.10 0.00 0.00 70.33 68.25 3k1q n THR 720 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3k1q s VAL 721 N -2.63 1.93 -0.13 2.28 -7.23 -0.99 -5.07 120.40 108.56 3k1q s VAL 721 Ca 0.24 -1.53 -0.29 0.00 -1.81 0.00 0.00 61.98 58.59 3k1q s VAL 721 Cb 0.19 -1.71 -0.06 0.00 0.56 0.00 0.00 36.38 35.36 3k1q s VAL 721 CO 0.52 0.09 2.14 0.21 -0.31 0.00 0.00 175.10 177.75 3k1q s ASN 722 N -1.74 5.78 0.29 4.85 3.84 -1.26 -4.86 114.94 121.83 3k1q s ASN 722 Ca 0.10 2.16 0.03 0.00 0.21 0.00 0.00 52.86 55.35 3k1q s ASN 722 Cb -0.10 -2.52 0.70 0.00 -0.55 0.00 0.00 41.25 38.79 3k1q s ASN 722 CO 0.04 -1.67 1.69 -0.78 -2.79 0.00 0.00 177.10 173.59 3k1q h ASP 723 N 13.62 0.26 -0.65 -4.21 1.82 -1.98 0.13 116.42 125.40 3k1q h ASP 723 Ca -0.44 0.16 0.12 0.00 -0.39 0.00 0.00 57.03 56.48 3k1q h ASP 723 Cb 1.24 0.16 -0.09 0.00 0.68 0.00 0.00 39.33 41.32 3k1q h ASP 723 CO 0.95 -0.03 0.18 0.25 -1.61 0.00 0.00 179.24 178.99 3k1q h LEU 724 N 0.36 0.08 -0.52 2.28 5.85 -2.00 -1.30 115.31 120.06 3k1q h LEU 724 Ca 0.55 0.11 0.04 0.00 0.84 0.00 0.00 57.88 59.42 3k1q h LEU 724 Cb 1.04 0.14 -0.04 0.00 0.37 0.00 0.00 40.66 42.16 3k1q h LEU 724 CO -0.54 0.03 0.27 0.74 -0.34 0.00 0.00 178.44 178.60 3k1q h THR 725 N 0.31 0.96 -0.43 1.05 2.02 -1.18 -2.16 112.91 113.49 3k1q h THR 725 Ca 0.35 -0.18 0.04 0.00 0.77 0.00 0.00 66.41 67.39 3k1q h THR 725 Cb 0.53 0.39 -0.04 0.00 -1.74 0.00 0.00 68.15 67.29 3k1q h THR 725 CO -0.41 0.10 0.20 -0.09 0.37 0.00 0.00 175.52 175.69 3k1q h ARG 726 N 0.52 0.40 -0.49 6.66 1.12 -0.58 -0.83 114.38 121.18 3k1q h ARG 726 Ca 0.23 -0.02 0.09 0.00 -1.11 0.00 0.00 59.98 59.17 3k1q h ARG 726 Cb 0.13 -0.09 -0.10 0.00 -0.01 0.00 0.00 29.97 29.90 3k1q h ARG 726 CO -0.16 0.26 -0.29 -0.09 -3.11 0.00 0.00 179.97 176.59 3k1q h ARG 727 N 0.41 -0.17 -0.17 0.20 2.43 -0.97 -2.22 114.38 113.89 3k1q h ARG 727 Ca 0.18 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.36 3k1q h ARG 727 Cb 0.10 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 3k1q h ARG 727 CO -0.14 -0.11 0.09 1.15 -1.51 0.00 0.00 179.97 179.45 3k1q h THR 728 N -0.18 1.11 -0.97 0.20 2.02 -0.84 -1.30 112.91 112.96 3k1q h THR 728 Ca 0.21 -0.31 0.12 0.00 0.77 0.00 0.00 66.41 67.21 3k1q h THR 728 Cb 0.52 1.01 -0.14 0.00 -1.74 0.00 0.00 68.15 67.80 3k1q h THR 728 CO -0.59 0.11 -0.46 0.23 0.37 0.00 0.00 175.52 175.17 3k1q n MET 729 N -4.90 -0.31 -0.13 6.66 2.81 -0.37 -1.27 117.12 119.61 3k1q n MET 729 Ca -0.04 1.48 -0.01 0.00 -1.81 0.00 0.00 57.70 57.32 3k1q n MET 729 Cb 0.08 -2.19 0.24 0.00 -0.71 0.00 0.00 33.22 30.64 3k1q n MET 729 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 3k1q h THR 730 N 0.00 1.20 0.87 2.03 1.35 -1.06 -2.19 112.91 115.12 3k1q h THR 730 Ca 0.26 -0.59 -0.04 0.00 -0.55 0.00 0.00 66.41 65.48 3k1q h THR 730 Cb 0.50 0.49 0.00 0.00 -1.73 0.00 0.00 68.15 67.41 3k1q h THR 730 CO -0.94 0.24 -0.46 1.23 -0.25 0.00 0.00 175.52 175.34 3k1q h GLY 731 N 0.93 -1.32 0.00 5.82 0.00 -0.60 0.26 103.07 108.15 3k1q h GLY 731 Ca 0.20 0.51 0.00 0.00 0.00 0.00 0.00 47.33 48.04 3k1q h GLY 731 CO -0.02 -0.47 0.00 -0.62 0.00 0.00 0.00 176.54 175.43 3k1q n VAL 732 N -5.43 0.00 -0.25 4.60 0.31 -0.39 -0.63 118.33 116.54 3k1q n VAL 732 Ca -0.15 0.96 -0.03 0.00 -0.01 0.00 0.00 64.34 65.11 3k1q n VAL 732 Cb 0.49 -1.36 -0.00 0.00 -0.91 0.00 0.00 33.84 32.06 3k1q n VAL 732 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 3k1q n MET 733 N -1.66 -0.19 -0.24 5.55 2.81 -0.85 -1.05 117.12 121.50 3k1q n MET 733 Ca 0.00 0.96 -0.06 0.00 -1.81 0.00 0.00 57.70 56.78 3k1q n MET 733 Cb 0.00 -1.41 0.04 0.00 -0.71 0.00 0.00 33.22 31.14 3k1q n MET 733 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 3k1q h THR 734 N 0.00 1.22 -0.58 2.03 1.35 -0.92 -1.77 112.91 114.25 3k1q h THR 734 Ca 0.18 -0.63 0.07 0.00 -0.55 0.00 0.00 66.41 65.49 3k1q h THR 734 Cb 0.34 0.41 -0.03 0.00 -1.73 0.00 0.00 68.15 67.13 3k1q h THR 734 CO -0.61 0.26 0.39 0.00 -0.25 0.00 0.00 175.52 175.31 3k1q h ALA 735 N 1.15 1.90 -0.19 6.62 0.00 0.83 0.32 119.26 129.89 3k1q h ALA 735 Ca 0.23 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 3k1q h ALA 735 Cb 0.12 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3k1q h ALA 735 CO -0.03 -0.01 -0.15 1.98 0.00 0.00 0.00 179.25 181.03 3k1q h MET 736 N 0.49 0.44 -0.85 0.00 -1.53 -0.95 -2.35 114.93 110.19 3k1q h MET 736 Ca 0.26 -0.22 -0.02 0.00 -3.44 0.00 0.00 59.70 56.28 3k1q h MET 736 Cb 0.38 0.00 -0.04 0.00 -0.55 0.00 0.00 31.60 31.39 3k1q h MET 736 CO -0.07 0.78 0.46 -0.09 0.14 0.00 0.00 176.91 178.13 3k1q h ARG 737 N 0.12 1.18 0.00 0.39 2.43 -0.71 -3.06 114.38 114.72 3k1q h ARG 737 Ca 0.04 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 3k1q h ARG 737 Cb 0.68 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 3k1q h ARG 737 CO 0.04 0.86 0.00 1.96 -1.51 0.00 0.00 179.97 181.32 3k1q h GLN 738 N 1.18 0.00 -6.36 0.20 7.50 -0.46 -3.47 115.11 113.70 3k1q h GLN 738 Ca 0.30 0.00 -0.64 0.00 0.50 0.00 0.00 58.65 58.81 3k1q h GLN 738 Cb 0.03 0.00 0.09 0.00 0.05 0.00 0.00 27.48 27.64 3k1q h GLN 738 CO -0.05 0.00 0.24 0.28 -1.50 0.00 0.00 178.83 177.80 3k1q n VAL 739 N -2.52 1.11 -2.12 -0.54 0.31 -0.93 -4.90 118.33 108.74 3k1q n VAL 739 Ca -0.00 -0.28 -0.29 0.00 -0.01 0.00 0.00 64.34 63.76 3k1q n VAL 739 Cb 0.15 -0.88 -0.05 0.00 -0.91 0.00 0.00 33.84 32.16 3k1q n VAL 739 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3k1q s LYS 740 N -0.60 2.66 -0.36 5.55 3.01 -1.26 -5.00 119.74 123.74 3k1q s LYS 740 Ca 0.70 -0.96 -0.03 0.00 -1.01 0.00 0.00 55.97 54.68 3k1q s LYS 740 Cb -0.82 -5.21 0.08 0.00 -1.01 0.00 0.00 37.83 30.86 3k1q s LYS 740 CO 0.54 -3.61 0.11 -0.08 0.51 0.00 0.00 175.35 172.81 3k1q s THR 741 N 10.04 3.24 0.16 2.17 -1.32 -1.26 -4.78 115.64 123.88 3k1q s THR 741 Ca 0.67 -1.67 -0.14 0.00 -1.21 0.00 0.00 61.69 59.34 3k1q s THR 741 Cb -0.02 -3.03 0.04 0.00 -1.51 0.00 0.00 72.50 67.98 3k1q s THR 741 CO 0.08 -0.39 1.75 0.24 -2.21 0.00 0.00 174.62 174.09 3k1q h MET 742 N 8.05 0.71 -0.59 7.08 2.86 -0.91 -3.34 114.93 128.79 3k1q h MET 742 Ca -0.17 -0.09 0.20 0.00 -2.06 0.00 0.00 59.70 57.57 3k1q h MET 742 Cb 1.06 -0.13 -0.11 0.00 0.06 0.00 0.00 31.60 32.47 3k1q h MET 742 CO 0.62 0.57 0.13 0.25 1.06 0.00 0.00 176.91 179.55 3k1q n THR 743 N -4.63 -0.25 0.04 2.22 -2.24 -1.25 -0.92 114.28 107.25 3k1q n THR 743 Ca 0.02 1.26 -0.03 0.00 -2.27 0.00 0.00 64.05 63.04 3k1q n THR 743 Cb 0.10 -1.92 0.22 0.00 -2.10 0.00 0.00 70.33 66.64 3k1q n THR 743 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 3k1q h PRO 744 N 0.00 0.42 -0.39 -0.78 0.11 -1.87 -0.34 132.00 129.14 3k1q h PRO 744 Ca 0.41 -0.16 -0.08 0.00 0.11 0.00 0.00 66.00 66.29 3k1q h PRO 744 Cb 0.97 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.04 3k1q h PRO 744 CO -0.52 0.65 -0.05 0.35 -0.21 0.00 0.00 178.00 178.22 3k1q h PHE 745 N 0.37 0.81 -0.55 0.65 3.57 -1.26 -1.46 116.94 119.08 3k1q h PHE 745 Ca 0.06 -0.16 -0.01 0.00 3.53 0.00 0.00 57.97 61.38 3k1q h PHE 745 Cb 0.65 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 39.16 3k1q h PHE 745 CO 0.02 0.84 0.29 -0.92 -2.23 0.00 0.00 178.31 176.32 3k1q h TYR 746 N 0.55 0.76 -0.18 0.41 3.20 -0.89 -0.03 116.97 120.79 3k1q h TYR 746 Ca 0.10 -0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.00 3k1q h TYR 746 Cb 0.56 -0.24 -0.05 0.00 1.54 0.00 0.00 36.73 38.53 3k1q h TYR 746 CO 0.04 0.57 -0.15 0.82 -1.64 0.00 0.00 178.16 177.80 3k1q h ILE 747 N 0.74 0.58 0.00 1.81 5.03 -0.75 0.90 117.51 125.83 3k1q h ILE 747 Ca 0.19 0.00 -0.07 0.00 -0.12 0.00 0.00 64.86 64.86 3k1q h ILE 747 Cb 0.06 0.58 -0.01 0.00 -3.03 0.00 0.00 36.82 34.42 3k1q h ILE 747 CO -0.03 0.00 -0.33 1.56 -0.68 0.00 0.00 178.15 178.67 3k1q h GLN 748 N -0.16 0.00 0.00 2.37 7.50 -1.00 -3.36 115.11 120.46 3k1q h GLN 748 Ca 0.11 0.00 -0.23 0.00 0.50 0.00 0.00 58.65 59.03 3k1q h GLN 748 Cb 0.33 0.00 -0.04 0.00 0.05 0.00 0.00 27.48 27.81 3k1q h GLN 748 CO -0.28 0.33 -1.88 0.72 -1.50 0.00 0.00 178.83 176.22 3k1q n HIS 749 N -3.68 0.00 -0.04 2.96 8.25 -0.05 -0.47 115.22 122.19 3k1q n HIS 749 Ca -0.01 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.39 3k1q n HIS 749 Cb 0.44 -0.61 -0.04 0.00 1.12 0.00 0.00 29.99 30.90 3k1q n HIS 749 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 3k1q n MET 750 N -2.82 0.37 -0.35 -0.41 2.81 0.27 -4.14 117.12 112.84 3k1q n MET 750 Ca -0.26 0.05 0.30 0.00 -1.81 0.00 0.00 57.70 55.98 3k1q n MET 750 Cb 0.82 -1.18 0.61 0.00 -0.71 0.00 0.00 33.22 32.77 3k1q n MET 750 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3k1q h PRO 752 N 0.22 -0.73 0.00 0.00 0.11 -1.80 -1.96 132.00 127.85 3k1q h PRO 752 Ca 0.64 0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.79 3k1q h PRO 752 Cb 1.97 0.16 -0.00 0.00 0.11 0.00 0.00 31.00 33.24 3k1q h PRO 752 CO -0.23 -0.48 -0.05 1.79 -0.21 0.00 0.00 178.00 178.82 3k1q h THR 753 N -0.75 0.92 -0.63 -1.15 1.35 -1.78 -1.96 112.91 108.91 3k1q h THR 753 Ca -0.03 -0.17 0.06 0.00 -0.55 0.00 0.00 66.41 65.72 3k1q h THR 753 Cb 0.69 1.10 -0.05 0.00 -1.73 0.00 0.00 68.15 68.15 3k1q h THR 753 CO -0.14 0.05 0.34 -0.33 -0.25 0.00 0.00 175.52 175.19 3k1q h GLU 754 N 0.00 0.61 0.00 4.72 5.08 -0.93 0.10 114.58 124.16 3k1q h GLU 754 Ca -0.00 -0.04 -0.18 0.00 -1.00 0.00 0.00 59.36 58.14 3k1q h GLU 754 Cb 0.09 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 3k1q h GLU 754 CO 0.01 0.40 -0.84 -0.07 -1.00 0.00 0.00 179.01 177.51 3k1q h LEU 755 N 0.62 0.14 0.30 1.33 3.38 -0.63 -1.83 115.31 118.62 3k1q h LEU 755 Ca 0.29 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 3k1q h LEU 755 Cb 0.20 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3k1q h LEU 755 CO -0.19 0.91 -0.38 0.28 0.09 0.00 0.00 178.44 179.15 3k1q h SER 756 N 0.06 -1.08 -0.85 -0.43 0.02 -0.37 -0.15 113.55 110.76 3k1q h SER 756 Ca -0.03 0.09 0.17 0.00 -0.84 0.00 0.00 61.79 61.19 3k1q h SER 756 Cb 1.46 0.37 -0.11 0.00 0.14 0.00 0.00 62.40 64.26 3k1q h SER 756 CO 0.12 -0.47 0.39 -0.37 -1.14 0.00 0.00 176.83 175.35 3k1q h VAL 757 N -0.70 0.62 0.09 2.27 -1.51 -0.99 -2.47 116.25 113.56 3k1q h VAL 757 Ca -0.04 -0.17 0.02 0.00 -1.23 0.00 0.00 66.70 65.29 3k1q h VAL 757 Cb 0.63 0.07 -0.04 0.00 -2.13 0.00 0.00 31.29 29.82 3k1q h VAL 757 CO -0.09 0.09 -0.33 -0.07 -1.23 0.00 0.00 177.57 175.94 3k1q h LEU 758 N 0.50 -0.96 -1.27 4.19 3.38 -1.09 -3.30 115.31 116.75 3k1q h LEU 758 Ca 0.49 0.11 0.24 0.00 0.09 0.00 0.00 57.88 58.81 3k1q h LEU 758 Cb 0.80 0.37 -0.10 0.00 0.09 0.00 0.00 40.66 41.82 3k1q h LEU 758 CO -0.44 -0.41 0.64 0.00 0.09 0.00 0.00 178.44 178.32 3k1q h ALA 759 N 0.11 2.06 0.00 1.53 0.00 -0.54 0.63 119.26 123.05 3k1q h ALA 759 Ca 0.04 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 3k1q h ALA 759 Cb 0.58 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 3k1q h ALA 759 CO -0.21 -0.45 -0.54 1.03 0.00 0.00 0.00 179.25 179.08 3k1q h SER 760 N 0.50 0.00 -0.00 0.00 0.87 -1.62 -3.28 113.55 110.02 3k1q h SER 760 Ca 0.58 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.14 3k1q h SER 760 Cb 1.29 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.25 3k1q h SER 760 CO -0.31 0.54 0.00 1.33 -0.53 0.00 0.00 176.83 177.86 3k1q n VAL 761 N -3.62 1.27 -1.99 2.23 0.24 -0.74 -4.95 118.33 110.77 3k1q n VAL 761 Ca -0.00 -1.38 -0.40 0.00 -2.04 0.00 0.00 64.34 60.52 3k1q n VAL 761 Cb 0.61 0.28 -0.00 0.00 -1.47 0.00 0.00 33.84 33.25 3k1q n VAL 761 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3k1q s THR 762 N -1.56 2.48 0.21 3.34 -4.23 0.14 -4.93 115.64 111.08 3k1q s THR 762 Ca 0.10 0.44 -0.10 0.00 -1.18 0.00 0.00 61.69 60.94 3k1q s THR 762 Cb 0.09 -3.26 0.15 0.00 1.34 0.00 0.00 72.50 70.82 3k1q s THR 762 CO 0.01 0.07 1.71 0.58 -0.54 0.00 0.00 174.62 176.45 3k1q h VAL 763 N 2.51 0.67 -3.53 2.29 2.07 -1.93 -3.32 116.25 115.02 3k1q h VAL 763 Ca -0.50 -0.09 -0.70 0.00 0.82 0.00 0.00 66.70 66.23 3k1q h VAL 763 Cb 1.25 0.37 -0.33 0.00 -1.52 0.00 0.00 31.29 31.06 3k1q h VAL 763 CO 0.63 0.05 -0.56 -0.89 0.02 0.00 0.00 177.57 176.82 3k1q s THR 764 N -6.11 3.45 0.22 2.57 2.01 -1.26 -5.13 115.64 111.39 3k1q s THR 764 Ca -0.13 -1.77 -0.21 0.00 0.31 0.00 0.00 61.69 59.89 3k1q s THR 764 Cb 0.17 -3.23 -0.13 0.00 0.01 0.00 0.00 72.50 69.32 3k1q s THR 764 CO 0.74 -0.54 0.31 -2.65 -0.69 0.00 0.00 174.62 171.79 3k1q n PRO 765 N 4.68 0.00 -1.68 4.92 -0.02 -1.25 -4.85 135.00 136.80 3k1q n PRO 765 Ca -0.06 0.00 -0.52 0.00 -2.02 0.00 0.00 63.50 60.90 3k1q n PRO 765 Cb 0.42 -0.81 -0.06 0.00 -0.02 0.00 0.00 33.50 33.03 3k1q n PRO 765 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3k1q n PRO 766 N 0.90 1.63 -3.76 0.52 -0.04 -1.26 -4.95 135.00 128.04 3k1q n PRO 766 Ca 0.13 0.60 -0.35 0.00 -0.04 0.00 0.00 63.50 63.83 3k1q n PRO 766 Cb 0.24 -2.34 -0.10 0.00 -0.04 0.00 0.00 33.50 31.26 3k1q n PRO 766 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 3k1q s PHE 767 N 2.89 3.37 0.02 0.54 5.36 -1.24 -4.60 117.98 124.31 3k1q s PHE 767 Ca 0.92 -2.81 0.05 0.00 -0.96 0.00 0.00 56.93 54.12 3k1q s PHE 767 Cb -0.87 -3.12 -0.03 0.00 -0.34 0.00 0.00 43.02 38.65 3k1q s PHE 767 CO 0.54 -0.82 -0.12 -0.65 -1.46 0.00 0.00 175.22 172.72 3k1q s GLN 768 N -0.11 2.35 -0.08 10.12 -0.21 -1.26 -2.95 119.66 127.51 3k1q s GLN 768 Ca 0.17 -0.83 0.02 0.00 0.02 0.00 0.00 55.36 54.73 3k1q s GLN 768 Cb -0.21 -2.37 0.01 0.00 1.00 0.00 0.00 33.01 31.45 3k1q s GLN 768 CO -0.03 0.57 -0.13 0.08 -2.12 0.00 0.00 175.29 173.67 3k1q s VAL 769 N -0.97 1.26 -0.34 1.09 1.01 -1.26 -3.93 120.40 117.26 3k1q s VAL 769 Ca 0.16 -0.52 -0.31 0.00 0.00 0.00 0.00 61.98 61.31 3k1q s VAL 769 Cb -0.11 -1.16 -0.13 0.00 0.00 0.00 0.00 36.38 34.98 3k1q s VAL 769 CO 0.07 0.39 1.20 -2.65 0.00 0.00 0.00 175.10 174.10 3k1q n PRO 770 N 4.06 0.00 -2.71 2.72 -0.02 -1.26 -4.55 135.00 133.23 3k1q n PRO 770 Ca -0.20 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 60.85 3k1q n PRO 770 Cb 0.51 -1.02 -0.03 0.00 -0.02 0.00 0.00 33.50 32.94 3k1q n PRO 770 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3k1q s PHE 771 N 2.64 2.80 0.00 6.00 5.36 -1.26 -4.94 117.98 128.58 3k1q s PHE 771 Ca 0.74 0.40 0.00 0.00 -0.96 0.00 0.00 56.93 57.12 3k1q s PHE 771 Cb -1.02 -4.24 0.00 0.00 -0.34 0.00 0.00 43.02 37.42 3k1q s PHE 771 CO 0.53 -1.30 0.00 0.25 -1.46 0.00 0.00 175.22 173.23 3k1q n THR 772 N 6.55 0.00 0.00 0.12 -2.24 -1.26 -4.93 114.28 112.52 3k1q n THR 772 Ca 0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 3k1q n THR 772 Cb 0.49 -1.24 0.00 0.00 -2.10 0.00 0.00 70.33 67.48 3k1q n THR 772 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3k1q n ARG 773 N -0.86 0.00 -1.32 -0.78 0.63 -1.26 -4.81 116.66 108.26 3k1q n ARG 773 Ca 0.00 0.00 0.04 0.00 -0.92 0.00 0.00 57.85 56.97 3k1q n ARG 773 Cb 0.00 0.00 0.06 0.00 0.45 0.00 0.00 32.46 32.97 3k1q n ARG 773 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59 3k1q n LEU 774 N -0.99 1.35 -4.39 6.15 -0.00 -1.26 -4.89 117.00 112.96 3k1q n LEU 774 Ca 0.00 -2.39 -0.45 0.00 -0.00 0.00 0.00 56.01 53.17 3k1q n LEU 774 Cb 0.00 -0.11 -0.02 0.00 -0.00 0.00 0.00 43.42 43.29 3k1q n LEU 774 CO 0.00 0.69 0.72 0.68 -0.00 0.00 0.00 177.39 179.47 3k1q s VAL 775 N -0.66 5.12 0.20 1.47 -7.23 -1.26 -4.95 120.40 113.08 3k1q s VAL 775 Ca 0.35 -1.94 -0.22 0.00 -1.81 0.00 0.00 61.98 58.36 3k1q s VAL 775 Cb 0.39 -4.63 0.13 0.00 0.56 0.00 0.00 36.38 32.82 3k1q s VAL 775 CO -0.15 -1.28 1.55 -0.61 -0.31 0.00 0.00 175.10 174.30 3k1q h GLN 776 N 8.39 -0.04 0.00 4.82 -0.00 -1.98 -1.93 115.11 124.37 3k1q h GLN 776 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.77 3k1q h GLN 776 Cb 1.03 0.01 0.00 0.00 0.00 0.00 0.00 27.48 28.52 3k1q h GLN 776 CO 0.95 -0.03 0.00 0.09 0.00 0.00 0.00 178.83 179.85 3k1q n ASN 777 N -5.40 0.14 -3.48 -0.69 4.13 -1.26 -3.05 115.26 105.65 3k1q n ASN 777 Ca 0.07 0.56 -0.27 0.00 1.68 0.00 0.00 54.58 56.62 3k1q n ASN 777 Cb 0.36 -0.58 -0.10 0.00 -1.54 0.00 0.00 39.78 37.91 3k1q n ASN 777 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 3k1q n ASP 778 N -1.69 0.84 -4.07 6.41 9.92 -0.72 -4.57 116.55 122.66 3k1q n ASP 778 Ca 0.00 -2.72 -0.23 0.00 -0.53 0.00 0.00 54.79 51.31 3k1q n ASP 778 Cb 0.04 -0.63 -0.16 0.00 -0.64 0.00 0.00 41.12 39.74 3k1q n ASP 778 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3k1q s VAL 779 N -0.74 1.09 0.13 2.53 1.01 -1.17 -4.79 120.40 118.46 3k1q s VAL 779 Ca 0.32 -0.54 -0.31 0.00 0.00 0.00 0.00 61.98 61.46 3k1q s VAL 779 Cb 0.05 -0.94 -0.07 0.00 0.00 0.00 0.00 36.38 35.41 3k1q s VAL 779 CO -0.16 0.32 1.27 -0.63 0.00 0.00 0.00 175.10 175.90 3k1q s ILE 780 N 0.06 3.60 -0.13 2.22 -1.09 -1.26 -1.76 121.20 122.83 3k1q s ILE 780 Ca -0.02 1.22 -0.01 0.00 -2.23 0.00 0.00 60.65 59.60 3k1q s ILE 780 Cb -0.09 -3.78 -0.24 0.00 -1.58 0.00 0.00 42.46 36.76 3k1q s ILE 780 CO 0.01 0.13 0.33 0.35 -1.23 0.00 0.00 174.94 174.53 3k1q n THR 781 N 3.38 1.70 -3.78 2.92 -2.24 -0.03 -4.79 114.28 111.45 3k1q n THR 781 Ca 0.08 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 3k1q n THR 781 Cb 0.44 -1.53 0.00 0.00 -2.10 0.00 0.00 70.33 67.14 3k1q n THR 781 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 3k1q s ASN 782 N -6.76 -0.05 0.01 3.42 0.01 -0.69 -5.01 114.94 105.87 3k1q s ASN 782 Ca -0.21 -0.29 0.07 0.00 -0.71 0.00 0.00 52.86 51.73 3k1q s ASN 782 Cb 0.07 0.27 -0.02 0.00 0.41 0.00 0.00 41.25 41.98 3k1q s ASN 782 CO 0.76 -0.51 -0.23 -0.69 -1.51 0.00 0.00 177.10 174.92 3k1q s VAL 783 N -2.41 1.81 0.05 1.60 1.01 -1.20 0.12 120.40 121.38 3k1q s VAL 783 Ca 0.19 -1.10 0.07 0.00 0.00 0.00 0.00 61.98 61.13 3k1q s VAL 783 Cb 0.01 -1.53 -0.03 0.00 0.00 0.00 0.00 36.38 34.84 3k1q s VAL 783 CO -0.00 0.40 -0.19 -0.76 0.00 0.00 0.00 175.10 174.54 3k1q s LEU 784 N -0.83 2.18 -0.14 3.92 1.02 0.21 0.28 118.68 125.32 3k1q s LEU 784 Ca 0.09 -0.52 0.02 0.00 0.02 0.00 0.00 54.13 53.73 3k1q s LEU 784 Cb -0.09 -0.87 0.01 0.00 0.02 0.00 0.00 46.19 45.26 3k1q s LEU 784 CO 0.00 0.12 -0.19 0.68 0.02 0.00 0.00 176.35 176.98 3k1q s VAL 785 N -0.85 1.88 -0.33 -1.59 -7.23 -0.76 -1.45 120.40 110.07 3k1q s VAL 785 Ca 0.06 -0.86 -0.11 0.00 -1.81 0.00 0.00 61.98 59.26 3k1q s VAL 785 Cb -0.09 -1.69 -0.00 0.00 0.56 0.00 0.00 36.38 35.16 3k1q s VAL 785 CO 0.02 0.51 0.18 0.00 -0.31 0.00 0.00 175.10 175.50 3k1q s ALA 786 N 1.00 3.32 -0.13 1.32 0.00 -0.82 -3.93 121.76 122.53 3k1q s ALA 786 Ca -0.04 -1.45 0.21 0.00 0.00 0.00 0.00 51.96 50.69 3k1q s ALA 786 Cb -0.15 -2.48 -0.19 0.00 0.00 0.00 0.00 23.12 20.31 3k1q s ALA 786 CO -0.05 -1.00 0.68 2.89 0.00 0.00 0.00 175.76 178.28 3k1q n ARG 787 N 5.01 0.64 -3.60 0.00 0.00 -1.26 -1.60 116.66 115.85 3k1q n ARG 787 Ca -0.13 -0.02 -0.15 0.00 -0.00 0.00 0.00 57.85 57.54 3k1q n ARG 787 Cb 0.49 -1.66 -0.06 0.00 -0.00 0.00 0.00 32.46 31.22 3k1q n ARG 787 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3k1q s VAL 788 N -3.30 0.02 -0.22 8.89 0.11 -1.22 -1.97 120.40 122.72 3k1q s VAL 788 Ca -0.05 -0.20 -0.02 0.00 -2.93 0.00 0.00 61.98 58.79 3k1q s VAL 788 Cb 0.11 -0.90 0.06 0.00 -1.53 0.00 0.00 36.38 34.12 3k1q s VAL 788 CO 0.85 -0.11 0.01 -1.81 -3.33 0.00 0.00 175.10 170.71 3k1q s ASP 789 N -1.50 3.30 -0.82 3.54 1.11 -1.26 -4.93 116.67 116.11 3k1q s ASP 789 Ca -0.10 -1.01 -0.25 0.00 0.18 0.00 0.00 52.55 51.38 3k1q s ASP 789 Cb -0.01 -0.80 -0.03 0.00 1.07 0.00 0.00 42.92 43.14 3k1q s ASP 789 CO 0.05 -0.30 1.88 -2.16 1.18 0.00 0.00 175.17 175.82 3k1q s PRO 790 N 1.69 2.64 0.00 8.23 0.04 -1.26 -4.74 135.00 141.60 3k1q s PRO 790 Ca -0.01 -0.08 0.00 0.00 0.04 0.00 0.00 61.00 60.94 3k1q s PRO 790 Cb -0.18 -4.87 0.00 0.00 0.04 0.00 0.00 34.50 29.49 3k1q s PRO 790 CO -0.09 -3.12 0.00 0.00 0.04 0.00 0.00 177.00 173.83 3k1q n ALA 791 N 13.29 0.00 -2.57 8.56 0.00 -1.26 -2.75 120.51 135.77 3k1q n ALA 791 Ca 0.34 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.79 3k1q n ALA 791 Cb 0.49 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.98 3k1q n ALA 791 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k1q n GLN 792 N 0.00 0.96 -1.76 0.00 0.00 -1.26 -5.08 117.38 110.24 3k1q n GLN 792 Ca 0.00 -2.79 -0.42 0.00 0.00 0.00 0.00 57.00 53.79 3k1q n GLN 792 Cb 0.00 -0.85 -0.03 0.00 0.00 0.00 0.00 30.24 29.36 3k1q n GLN 792 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.06 177.56 3k1q s ARG 793 N -1.91 3.99 -0.20 2.61 3.52 -1.11 -4.84 118.95 121.01 3k1q s ARG 793 Ca 0.32 2.39 0.15 0.00 -0.13 0.00 0.00 55.73 58.45 3k1q s ARG 793 Cb 0.36 -4.15 0.46 0.00 -1.56 0.00 0.00 34.95 30.06 3k1q s ARG 793 CO -0.10 -1.11 1.35 0.41 -0.81 0.00 0.00 175.30 175.04 3k1q n GLY 794 N 4.64 4.59 1.45 8.12 0.00 -1.26 -4.85 105.19 117.87 3k1q n GLY 794 Ca 0.21 -1.14 -0.01 0.00 0.00 0.00 0.00 46.02 45.08 3k1q n GLY 794 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3k1q n ASP 795 N -0.96 5.08 0.00 1.61 8.00 -1.26 -4.85 116.55 124.17 3k1q n ASP 795 Ca 0.23 -2.38 0.00 0.00 0.71 0.00 0.00 54.79 53.35 3k1q n ASP 795 Cb 0.86 -1.05 0.00 0.00 -0.02 0.00 0.00 41.12 40.91 3k1q n ASP 795 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3k1q n ALA 796 N 1.33 0.00 0.23 2.24 0.00 -1.26 0.20 120.51 123.26 3k1q n ALA 796 Ca 0.01 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.60 3k1q n ALA 796 Cb 0.50 0.00 0.81 0.00 0.00 0.00 0.00 19.45 20.77 3k1q n ALA 796 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k1q h ALA 797 N -0.53 1.80 -0.13 0.00 0.00 -1.92 0.33 119.26 118.83 3k1q h ALA 797 Ca 0.00 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 3k1q h ALA 797 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3k1q h ALA 797 CO 0.00 -0.18 -0.31 0.28 0.00 0.00 0.00 179.25 179.05 3k1q h VAL 798 N 0.00 1.37 0.01 0.00 2.07 -1.48 -3.18 116.25 115.03 3k1q h VAL 798 Ca 0.06 -1.60 -0.11 0.00 0.82 0.00 0.00 66.70 65.87 3k1q h VAL 798 Cb 0.29 2.08 0.01 0.00 -1.52 0.00 0.00 31.29 32.14 3k1q h VAL 798 CO -0.00 0.47 -0.42 0.44 0.02 0.00 0.00 177.57 178.08 3k1q h ASP 799 N 0.02 0.36 -0.89 0.57 5.19 -0.07 -3.42 116.42 118.18 3k1q h ASP 799 Ca -0.00 -0.79 -0.01 0.00 -0.62 0.00 0.00 57.03 55.61 3k1q h ASP 799 Cb 0.91 -0.11 -0.04 0.00 0.18 0.00 0.00 39.33 40.27 3k1q h ASP 799 CO 0.07 1.10 0.53 0.40 -3.12 0.00 0.00 179.24 178.21 3k1q h ILE 800 N -0.35 1.25 -0.62 0.35 5.03 -0.42 0.35 117.51 123.10 3k1q h ILE 800 Ca -0.05 -0.56 0.08 0.00 -0.12 0.00 0.00 64.86 64.21 3k1q h ILE 800 Cb 1.17 0.00 -0.06 0.00 -3.03 0.00 0.00 36.82 34.90 3k1q h ILE 800 CO 0.08 0.26 0.29 -0.09 -0.68 0.00 0.00 178.15 178.02 3k1q h ARG 801 N 1.23 0.51 0.00 2.37 9.65 -1.75 -2.18 114.38 124.22 3k1q h ARG 801 Ca 0.32 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 59.17 3k1q h ARG 801 Cb -0.04 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 28.43 3k1q h ARG 801 CO -0.06 0.34 -0.95 0.00 2.80 0.00 0.00 179.97 182.10 3k1q n ALA 802 N -2.40 4.60 -0.01 2.80 0.00 -0.43 -4.75 120.51 120.33 3k1q n ALA 802 Ca 0.08 -0.57 0.01 0.00 0.00 0.00 0.00 53.44 52.96 3k1q n ALA 802 Cb 0.23 -0.73 -0.03 0.00 0.00 0.00 0.00 19.45 18.92 3k1q n ALA 802 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3k1q n THR 803 N -1.48 0.10 -4.37 0.00 -2.24 0.11 -5.07 114.28 101.34 3k1q n THR 803 Ca 0.04 -0.12 -0.25 0.00 -2.27 0.00 0.00 64.05 61.45 3k1q n THR 803 Cb 0.31 -0.10 -0.09 0.00 -2.10 0.00 0.00 70.33 68.35 3k1q n THR 803 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3k1q s HIS 804 N -2.21 2.52 -0.37 4.78 3.76 -0.84 -5.02 115.29 117.91 3k1q s HIS 804 Ca -0.02 -0.44 -0.28 0.00 -0.15 0.00 0.00 55.06 54.18 3k1q s HIS 804 Cb 0.02 -1.45 -0.02 0.00 1.11 0.00 0.00 32.58 32.24 3k1q s HIS 804 CO 0.17 0.50 1.86 0.00 -0.85 0.00 0.00 174.74 176.43 3k1q s ALA 805 N -2.52 2.70 -0.57 -1.40 0.00 -1.25 -4.84 121.76 113.87 3k1q s ALA 805 Ca 0.34 0.15 -0.23 0.00 0.00 0.00 0.00 51.96 52.22 3k1q s ALA 805 Cb -0.00 -4.08 0.05 0.00 0.00 0.00 0.00 23.12 19.09 3k1q s ALA 805 CO 0.19 -2.91 0.92 0.95 0.00 0.00 0.00 175.76 174.91 3k1q s THR 806 N 7.54 4.42 -0.97 0.00 -4.23 -1.26 -1.83 115.64 119.30 3k1q s THR 806 Ca 0.80 0.06 -0.19 0.00 -1.18 0.00 0.00 61.69 61.19 3k1q s THR 806 Cb -0.21 -4.55 0.13 0.00 1.34 0.00 0.00 72.50 69.20 3k1q s THR 806 CO 0.31 -1.17 1.20 -0.36 -0.54 0.00 0.00 174.62 174.06 3k1q s PHE 807 N 3.86 3.09 -0.18 3.99 0.40 0.14 -4.92 117.98 124.36 3k1q s PHE 807 Ca 0.27 -1.41 -0.04 0.00 -0.60 0.00 0.00 56.93 55.15 3k1q s PHE 807 Cb -0.14 -4.33 0.09 0.00 0.51 0.00 0.00 43.02 39.14 3k1q s PHE 807 CO 0.16 -1.53 0.25 0.00 0.70 0.00 0.00 175.22 174.80 3k1q s ALA 808 N 2.84 -0.44 0.23 5.36 0.00 -1.26 -3.24 121.76 125.24 3k1q s ALA 808 Ca 0.35 0.55 -0.13 0.00 0.00 0.00 0.00 51.96 52.72 3k1q s ALA 808 Cb -0.04 -1.24 -0.08 0.00 0.00 0.00 0.00 23.12 21.76 3k1q s ALA 808 CO -0.08 -1.01 0.61 0.00 0.00 0.00 0.00 175.76 175.28 3k1q s ALA 809 N 2.38 3.49 -0.11 0.00 0.00 0.10 -5.04 121.76 122.58 3k1q s ALA 809 Ca 0.06 -0.10 0.03 0.00 0.00 0.00 0.00 51.96 51.95 3k1q s ALA 809 Cb -0.14 -2.59 -0.00 0.00 0.00 0.00 0.00 23.12 20.39 3k1q s ALA 809 CO -0.11 0.43 -0.22 0.00 0.00 0.00 0.00 175.76 175.86 3k1q s ALA 810 N -1.71 2.26 -0.25 0.00 0.00 -1.26 -2.49 121.76 118.30 3k1q s ALA 810 Ca 0.46 -0.96 -0.02 0.00 0.00 0.00 0.00 51.96 51.43 3k1q s ALA 810 Cb -0.13 -0.89 0.08 0.00 0.00 0.00 0.00 23.12 22.18 3k1q s ALA 810 CO 0.20 0.26 0.06 -0.51 0.00 0.00 0.00 175.76 175.76 3k1q s LEU 811 N 0.38 1.72 -0.51 0.00 1.43 0.13 -4.84 118.68 116.99 3k1q s LEU 811 Ca -0.17 -1.22 -0.26 0.00 -1.03 0.00 0.00 54.13 51.45 3k1q s LEU 811 Cb -0.17 -0.75 -0.06 0.00 0.03 0.00 0.00 46.19 45.23 3k1q s LEU 811 CO 0.08 -0.35 2.31 -2.84 0.23 0.00 0.00 176.35 175.78 3k1q s PRO 812 N 1.73 2.20 0.09 1.29 0.02 -1.26 -0.94 135.00 138.13 3k1q s PRO 812 Ca 0.04 1.27 0.02 0.00 0.02 0.00 0.00 61.00 62.35 3k1q s PRO 812 Cb -0.17 -4.55 -0.04 0.00 0.02 0.00 0.00 34.50 29.76 3k1q s PRO 812 CO -0.16 -3.18 0.15 0.54 -0.33 0.00 0.00 177.00 174.02 3k1q s VAL 813 N 11.64 4.88 -0.40 3.83 0.11 -0.59 -4.92 120.40 134.94 3k1q s VAL 813 Ca 0.92 -0.69 -0.15 0.00 -2.93 0.00 0.00 61.98 59.13 3k1q s VAL 813 Cb -0.16 -3.40 0.01 0.00 -1.53 0.00 0.00 36.38 31.30 3k1q s VAL 813 CO 0.25 0.07 0.32 -0.62 -3.33 0.00 0.00 175.10 171.79 3k1q s ASP 814 N -2.63 6.12 0.10 3.54 -1.08 -1.26 -2.95 116.67 118.51 3k1q s ASP 814 Ca 0.32 -0.76 -0.28 0.00 -0.52 0.00 0.00 52.55 51.31 3k1q s ASP 814 Cb -0.12 -2.17 -0.10 0.00 -1.46 0.00 0.00 42.92 39.07 3k1q s ASP 814 CO 0.25 -0.43 1.46 -0.65 0.52 0.00 0.00 175.17 176.31 3k1q h PRO 815 N 8.62 -0.44 -0.96 4.34 0.11 -1.95 -3.16 132.00 138.56 3k1q h PRO 815 Ca -0.28 0.03 0.11 0.00 0.11 0.00 0.00 66.00 65.97 3k1q h PRO 815 Cb 1.13 0.10 -0.13 0.00 0.11 0.00 0.00 31.00 32.20 3k1q h PRO 815 CO 0.72 -0.29 -0.49 0.00 -0.21 0.00 0.00 178.00 177.73 3k1q n ALA 816 N -2.95 -0.41 -0.31 -0.75 0.00 -1.26 -1.99 120.51 112.84 3k1q n ALA 816 Ca -0.05 0.88 0.10 0.00 0.00 0.00 0.00 53.44 54.37 3k1q n ALA 816 Cb 0.31 -0.25 0.32 0.00 0.00 0.00 0.00 19.45 19.83 3k1q n ALA 816 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k1q h ALA 817 N 0.83 1.70 0.02 0.00 0.00 -1.83 -1.53 119.26 118.45 3k1q h ALA 817 Ca 0.23 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.19 3k1q h ALA 817 Cb 0.47 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 3k1q h ALA 817 CO -0.93 0.05 -0.45 0.82 0.00 0.00 0.00 179.25 178.74 3k1q h ILE 818 N 0.81 0.11 -0.30 0.00 2.04 -1.52 -2.36 117.51 116.30 3k1q h ILE 818 Ca 0.47 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 66.26 3k1q h ILE 818 Cb 0.64 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 3k1q h ILE 818 CO -0.24 0.00 -0.11 0.58 0.00 0.00 0.00 178.15 178.38 3k1q h VAL 819 N -0.62 1.23 -0.37 1.67 2.07 -1.19 -0.19 116.25 118.86 3k1q h VAL 819 Ca 0.04 -1.01 0.07 0.00 0.82 0.00 0.00 66.70 66.62 3k1q h VAL 819 Cb 0.68 1.12 -0.07 0.00 -1.52 0.00 0.00 31.29 31.50 3k1q h VAL 819 CO -0.32 0.33 -0.09 0.58 0.02 0.00 0.00 177.57 178.09 3k1q h VAL 820 N 0.47 0.63 -0.04 2.57 2.07 -1.16 -0.21 116.25 120.59 3k1q h VAL 820 Ca 0.09 -0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.60 3k1q h VAL 820 Cb 0.48 0.63 -0.00 0.00 -1.52 0.00 0.00 31.29 30.88 3k1q h VAL 820 CO 0.03 0.00 -0.00 0.00 0.02 0.00 0.00 177.57 177.61 3k1q h ALA 821 N 1.37 0.05 -0.93 1.67 0.00 -1.23 -1.18 119.26 119.02 3k1q h ALA 821 Ca 0.18 -0.18 0.18 0.00 0.00 0.00 0.00 54.91 55.09 3k1q h ALA 821 Cb 0.27 -0.01 -0.11 0.00 0.00 0.00 0.00 17.79 17.94 3k1q h ALA 821 CO -0.38 -0.26 0.51 1.98 0.00 0.00 0.00 179.25 181.10 3k1q h MET 822 N -0.25 0.62 -0.01 0.00 -1.53 -0.85 -2.50 114.93 110.41 3k1q h MET 822 Ca 0.01 -0.04 -0.17 0.00 -3.44 0.00 0.00 59.70 56.06 3k1q h MET 822 Cb 0.36 -0.14 -0.02 0.00 -0.55 0.00 0.00 31.60 31.25 3k1q h MET 822 CO 0.00 0.41 -0.79 -0.07 0.14 0.00 0.00 176.91 176.61 3k1q h LEU 823 N 0.64 0.16 -6.87 3.39 3.38 -0.81 -3.39 115.31 111.82 3k1q h LEU 823 Ca 0.54 -0.12 -0.61 0.00 0.09 0.00 0.00 57.88 57.78 3k1q h LEU 823 Cb 0.86 -0.05 -0.40 0.00 0.09 0.00 0.00 40.66 41.16 3k1q h LEU 823 CO -0.41 0.88 -0.72 0.00 0.09 0.00 0.00 178.44 178.29 3k1q s GLY 825 N -0.65 1.51 0.05 0.00 0.00 -1.19 -4.32 107.32 102.73 3k1q s GLY 825 Ca 0.26 -1.29 0.03 0.00 0.00 0.00 0.00 44.72 43.71 3k1q s GLY 825 CO -0.14 0.39 -0.10 -0.86 0.00 0.00 0.00 173.10 172.39 3k1q s GLN 826 N 1.33 0.63 0.00 2.90 0.00 -0.18 -0.16 119.66 124.18 3k1q s GLN 826 Ca 0.03 -0.84 0.00 0.00 -0.00 0.00 0.00 55.36 54.55 3k1q s GLN 826 Cb -0.15 -0.46 0.00 0.00 0.00 0.00 0.00 33.01 32.40 3k1q s GLN 826 CO -0.08 0.09 0.00 0.25 0.00 0.00 0.00 175.29 175.55 3k1q n THR 827 N 1.36 0.00 -3.64 3.63 -2.24 -1.26 0.03 114.28 112.15 3k1q n THR 827 Ca -0.22 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.33 3k1q n THR 827 Cb 0.55 -0.12 -0.02 0.00 -2.10 0.00 0.00 70.33 68.64 3k1q n THR 827 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3k1q s GLU 828 N 3.72 3.47 0.05 -0.78 8.01 -1.26 -4.67 118.70 127.24 3k1q s GLU 828 Ca 0.00 -0.52 -0.31 0.00 0.01 0.00 0.00 54.97 54.15 3k1q s GLU 828 Cb 0.00 -2.76 -0.16 0.00 -4.31 0.00 0.00 34.13 26.89 3k1q s GLU 828 CO 0.00 0.27 1.47 1.79 0.01 0.00 0.00 175.26 178.80 3k1q h THR 829 N 0.93 0.00 -2.52 3.63 1.35 -2.04 -3.18 112.91 111.08 3k1q h THR 829 Ca -0.51 0.00 -0.80 0.00 -0.55 0.00 0.00 66.41 64.56 3k1q h THR 829 Cb 1.22 0.00 -0.25 0.00 -1.73 0.00 0.00 68.15 67.40 3k1q h THR 829 CO 0.61 0.00 1.10 -3.20 -0.25 0.00 0.00 175.52 173.78 3k1q n ASN 830 N -5.01 6.14 -4.68 5.36 5.15 -1.26 -4.93 115.26 116.03 3k1q n ASN 830 Ca -0.13 -3.35 -0.41 0.00 -0.60 0.00 0.00 54.58 50.09 3k1q n ASN 830 Cb 0.43 -1.32 -0.04 0.00 -0.53 0.00 0.00 39.78 38.31 3k1q n ASN 830 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 3k1q s LEU 831 N -2.20 4.21 -0.42 1.20 2.96 -1.21 -5.02 118.68 118.21 3k1q s LEU 831 Ca 0.33 1.14 0.02 0.00 -0.22 0.00 0.00 54.13 55.40 3k1q s LEU 831 Cb 0.06 -3.16 0.13 0.00 0.50 0.00 0.00 46.19 43.73 3k1q s LEU 831 CO 0.08 -0.31 0.22 -0.63 -1.32 0.00 0.00 176.35 174.39 3k1q s ILE 832 N 1.77 1.33 0.31 6.68 1.01 -1.26 -2.37 121.20 128.67 3k1q s ILE 832 Ca 0.37 -2.43 0.07 0.00 0.00 0.00 0.00 60.65 58.66 3k1q s ILE 832 Cb -0.17 -1.94 0.30 0.00 0.01 0.00 0.00 42.46 40.66 3k1q s ILE 832 CO 0.14 -0.88 1.75 -0.65 0.00 0.00 0.00 174.94 175.30 3k1q h PRO 833 N 6.86 0.65 -0.01 2.79 0.11 -1.83 -2.21 132.00 138.36 3k1q h PRO 833 Ca -0.02 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.05 3k1q h PRO 833 Cb 0.94 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.90 3k1q h PRO 833 CO 0.47 0.43 -0.05 0.66 -0.21 0.00 0.00 178.00 179.31 3k1q h SER 834 N 0.67 -0.15 -0.72 -2.05 4.64 -1.88 0.20 113.55 114.26 3k1q h SER 834 Ca 0.60 0.02 0.06 0.00 -0.47 0.00 0.00 61.79 62.01 3k1q h SER 834 Cb 1.04 0.06 -0.09 0.00 -0.31 0.00 0.00 62.40 63.10 3k1q h SER 834 CO -0.43 -0.04 -0.42 1.57 -0.87 0.00 0.00 176.83 176.63 3k1q n HIS 835 N -2.79 -0.32 0.06 4.77 -0.00 -1.18 -1.87 115.22 113.89 3k1q n HIS 835 Ca -0.01 0.90 -0.11 0.00 -0.00 0.00 0.00 57.72 58.50 3k1q n HIS 835 Cb 0.03 -0.55 -0.05 0.00 -0.00 0.00 0.00 29.99 29.42 3k1q n HIS 835 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 3k1q h HIS 836 N 0.00 -0.31 -0.88 1.57 3.86 -0.69 -2.49 115.15 116.20 3k1q h HIS 836 Ca 0.11 0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.34 3k1q h HIS 836 Cb 0.29 0.14 -0.04 0.00 1.06 0.00 0.00 27.41 28.86 3k1q h HIS 836 CO -0.78 -0.19 0.58 1.88 0.86 0.00 0.00 177.93 180.28 3k1q h TYR 837 N -0.22 1.12 -0.02 2.45 0.99 -0.59 0.64 116.97 121.34 3k1q h TYR 837 Ca 0.04 0.02 0.03 0.00 2.00 0.00 0.00 58.73 60.82 3k1q h TYR 837 Cb 0.26 -0.38 -0.06 0.00 1.00 0.00 0.00 36.73 37.56 3k1q h TYR 837 CO -0.17 0.71 -0.45 0.78 -0.00 0.00 0.00 178.16 179.02 3k1q h GLY 838 N 1.20 -0.86 0.90 3.88 0.00 -0.94 -0.20 103.07 107.05 3k1q h GLY 838 Ca 0.32 0.56 -0.02 0.00 0.00 0.00 0.00 47.33 48.18 3k1q h GLY 838 CO -0.07 -0.24 -0.24 0.50 0.00 0.00 0.00 176.54 176.49 3k1q h LYS 839 N -0.59 -0.66 -0.14 4.80 1.79 -1.11 -2.86 116.57 117.81 3k1q h LYS 839 Ca 0.04 0.04 0.04 0.00 -2.18 0.00 0.00 60.65 58.59 3k1q h LYS 839 Cb 0.67 0.15 -0.04 0.00 -1.58 0.00 0.00 32.23 31.43 3k1q h LYS 839 CO -0.34 -0.39 -0.10 0.00 -1.08 0.00 0.00 179.45 177.54 3k1q h ALA 840 N -0.35 0.02 0.00 3.86 0.00 -0.71 -2.28 119.26 119.80 3k1q h ALA 840 Ca -0.07 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3k1q h ALA 840 Cb 0.57 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 3k1q h ALA 840 CO 0.11 -0.54 -0.25 0.74 0.00 0.00 0.00 179.25 179.31 3k1q h PHE 841 N -0.10 0.00 -0.99 0.00 0.05 -1.16 -3.40 116.94 111.34 3k1q h PHE 841 Ca 0.09 0.00 0.32 0.00 3.82 0.00 0.00 57.97 62.20 3k1q h PHE 841 Cb 0.23 0.00 -0.18 0.00 2.00 0.00 0.00 35.95 38.00 3k1q h PHE 841 CO -0.23 0.25 0.21 0.00 -0.18 0.00 0.00 178.31 178.37 3k1q h ALA 842 N 1.75 1.52 -0.01 2.45 0.00 -1.16 -1.57 119.26 122.24 3k1q h ALA 842 Ca -0.00 0.31 -0.10 0.00 0.00 0.00 0.00 54.91 55.12 3k1q h ALA 842 Cb 0.53 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 3k1q h ALA 842 CO 0.03 -0.70 -0.48 -1.00 0.00 0.00 0.00 179.25 177.10 3k1q h PRO 843 N 0.01 0.02 0.49 0.00 0.13 -1.77 -3.18 132.00 127.70 3k1q h PRO 843 Ca 0.69 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 65.78 3k1q h PRO 843 Cb 1.58 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.71 3k1q h PRO 843 CO -0.86 0.50 -0.24 1.25 -0.23 0.00 0.00 178.00 178.41 3k1q h LEU 844 N 0.02 -0.58 -0.41 1.56 5.85 -1.55 0.13 115.31 120.33 3k1q h LEU 844 Ca -0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 3k1q h LEU 844 Cb 0.86 0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.05 3k1q h LEU 844 CO 0.06 -0.41 0.00 0.49 -0.34 0.00 0.00 178.44 178.25 3k1q n PHE 845 N -5.38 0.00 0.34 1.25 3.01 -1.15 -2.68 117.46 112.86 3k1q n PHE 845 Ca -0.12 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.46 3k1q n PHE 845 Cb 0.28 -0.03 0.17 0.00 -0.01 0.00 0.00 39.48 39.89 3k1q n PHE 845 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3k1q h ALA 846 N 2.17 0.77 -1.00 4.37 0.00 -0.78 -3.45 119.26 121.35 3k1q h ALA 846 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 54.91 54.44 3k1q h ALA 846 Cb 0.15 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.87 3k1q h ALA 846 CO 0.00 0.00 1.15 0.45 0.00 0.00 0.00 179.25 180.85 3k1q s SER 847 N -5.23 5.84 0.00 0.00 0.15 -1.09 -4.87 113.70 108.50 3k1q s SER 847 Ca 0.05 -0.92 0.00 0.00 0.70 0.00 0.00 55.95 55.78 3k1q s SER 847 Cb 0.09 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.84 3k1q s SER 847 CO 0.70 -2.09 0.91 -3.20 1.20 0.00 0.00 173.24 170.75 3k1q n ASN 848 N 11.25 0.00 -0.13 5.45 4.05 -1.26 -3.65 115.26 130.96 3k1q n ASN 848 Ca 0.32 0.41 0.11 0.00 0.45 0.00 0.00 54.58 55.87 3k1q n ASN 848 Cb 0.49 -0.41 0.45 0.00 1.23 0.00 0.00 39.78 41.55 3k1q n ASN 848 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3k1q h ALA 849 N 1.84 1.93 -0.90 5.20 0.00 -1.98 -0.59 119.26 124.76 3k1q h ALA 849 Ca 0.00 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.03 3k1q h ALA 849 Cb 0.07 -0.11 -0.14 0.00 0.00 0.00 0.00 17.79 17.61 3k1q h ALA 849 CO 0.00 -0.07 -0.42 1.98 0.00 0.00 0.00 179.25 180.74 3k1q h MET 850 N 0.52 -0.05 -0.12 0.00 1.85 -1.93 -0.64 114.93 114.57 3k1q h MET 850 Ca 0.31 0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 59.39 3k1q h MET 850 Cb 0.51 0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.54 3k1q h MET 850 CO -0.10 -0.03 0.01 0.74 -0.40 0.00 0.00 176.91 177.13 3k1q h PHE 851 N -0.05 0.16 0.00 1.39 -1.00 -1.42 -2.84 116.94 113.19 3k1q h PHE 851 Ca 0.29 -0.00 -0.01 0.00 2.81 0.00 0.00 57.97 61.05 3k1q h PHE 851 Cb 0.56 -0.05 -0.00 0.00 3.61 0.00 0.00 35.95 40.07 3k1q h PHE 851 CO -0.85 0.17 -0.05 1.79 -1.61 0.00 0.00 178.31 177.76 3k1q h THR 852 N 0.17 0.17 -0.35 -1.55 1.35 -1.21 -2.98 112.91 108.50 3k1q h THR 852 Ca 0.04 -0.52 -0.03 0.00 -0.55 0.00 0.00 66.41 65.36 3k1q h THR 852 Cb 0.10 1.44 -0.01 0.00 -1.73 0.00 0.00 68.15 67.94 3k1q h THR 852 CO 0.00 0.05 0.11 0.03 -0.25 0.00 0.00 175.52 175.46 3k1q h ARG 853 N 0.00 0.54 -0.76 4.72 3.08 -1.38 -2.01 114.38 118.57 3k1q h ARG 853 Ca -0.00 -0.12 0.18 0.00 0.07 0.00 0.00 59.98 60.11 3k1q h ARG 853 Cb 0.43 -0.08 -0.12 0.00 0.08 0.00 0.00 29.97 30.28 3k1q h ARG 853 CO 0.01 0.57 0.12 -0.91 -1.07 0.00 0.00 179.97 178.69 3k1q h ASN 854 N 0.41 -0.12 -0.41 7.04 2.35 -1.64 -1.50 115.58 121.72 3k1q h ASN 854 Ca 0.11 0.17 -0.10 0.00 -0.55 0.00 0.00 56.30 55.93 3k1q h ASN 854 Cb 0.25 0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.87 3k1q h ASN 854 CO -0.00 -0.11 -0.13 1.56 -1.65 0.00 0.00 177.43 177.09 3k1q h GLN 855 N 0.20 0.82 -0.05 0.81 4.20 -1.45 -1.74 115.11 117.90 3k1q h GLN 855 Ca 0.43 -0.33 0.04 0.00 0.06 0.00 0.00 58.65 58.85 3k1q h GLN 855 Cb 0.78 -0.04 -0.05 0.00 0.30 0.00 0.00 27.48 28.48 3k1q h GLN 855 CO -0.59 0.96 -0.22 -0.09 -0.67 0.00 0.00 178.83 178.22 3k1q h ARG 856 N 0.63 -0.31 -0.95 1.46 2.43 -1.08 -2.61 114.38 113.96 3k1q h ARG 856 Ca 0.10 0.02 0.20 0.00 -0.81 0.00 0.00 59.98 59.49 3k1q h ARG 856 Cb 0.67 0.07 -0.08 0.00 -0.42 0.00 0.00 29.97 30.21 3k1q h ARG 856 CO 0.05 -0.20 0.61 0.00 -1.51 0.00 0.00 179.97 178.91 3k1q h ALA 857 N 0.60 1.97 -0.27 2.80 0.00 -0.42 -0.50 119.26 123.43 3k1q h ALA 857 Ca 0.07 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 3k1q h ALA 857 Cb 0.42 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3k1q h ALA 857 CO -0.23 -0.29 -0.28 -0.24 0.00 0.00 0.00 179.25 178.21 3k1q h VAL 858 N 0.58 1.27 -0.13 0.00 3.04 -1.04 -2.53 116.25 117.44 3k1q h VAL 858 Ca 0.52 -1.35 -0.15 0.00 -1.01 0.00 0.00 66.70 64.71 3k1q h VAL 858 Cb 1.04 1.37 -0.01 0.00 -2.01 0.00 0.00 31.29 31.68 3k1q h VAL 858 CO -0.26 0.43 -0.57 0.40 -1.01 0.00 0.00 177.57 176.56 3k1q h ILE 859 N 0.48 1.35 -0.45 3.17 1.08 -0.96 -1.41 117.51 120.75 3k1q h ILE 859 Ca 0.06 -1.86 0.09 0.00 -0.39 0.00 0.00 64.86 62.76 3k1q h ILE 859 Cb 0.73 1.87 -0.10 0.00 -3.07 0.00 0.00 36.82 36.25 3k1q h ILE 859 CO 0.06 0.57 -0.26 0.74 -0.69 0.00 0.00 178.15 178.56 3k1q h THR 860 N 0.32 0.30 -0.08 -0.27 2.02 -1.25 0.17 112.91 114.12 3k1q h THR 860 Ca 0.00 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.22 3k1q h THR 860 Cb 1.09 0.30 -0.05 0.00 -1.74 0.00 0.00 68.15 67.76 3k1q h THR 860 CO 0.10 0.00 -0.19 0.03 0.37 0.00 0.00 175.52 175.83 3k1q h ARG 861 N -0.17 -0.26 -1.01 6.66 3.08 -1.32 -2.27 114.38 119.10 3k1q h ARG 861 Ca 0.21 0.02 0.10 0.00 0.07 0.00 0.00 59.98 60.37 3k1q h ARG 861 Cb 0.50 0.06 -0.08 0.00 0.08 0.00 0.00 29.97 30.53 3k1q h ARG 861 CO -0.55 -0.17 0.64 0.93 -1.07 0.00 0.00 179.97 179.75 3k1q h GLU 862 N -0.27 1.05 -0.23 0.04 4.39 -0.61 -2.57 114.58 116.39 3k1q h GLU 862 Ca 0.08 -0.06 -0.05 0.00 0.34 0.00 0.00 59.36 59.67 3k1q h GLU 862 Cb 0.38 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 3k1q h GLU 862 CO -0.23 0.70 -0.06 0.00 -1.16 0.00 0.00 179.01 178.26 3k1q h ALA 863 N 1.50 0.32 -0.19 3.43 0.00 -0.65 -0.02 119.26 123.65 3k1q h ALA 863 Ca 0.47 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 55.14 3k1q h ALA 863 Cb 0.34 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 3k1q h ALA 863 CO -0.22 0.11 -0.35 0.35 0.00 0.00 0.00 179.25 179.14 3k1q h PHE 864 N 0.18 -1.06 -0.58 0.00 3.57 -1.05 -1.15 116.94 116.85 3k1q h PHE 864 Ca 0.06 0.05 0.12 0.00 3.53 0.00 0.00 57.97 61.72 3k1q h PHE 864 Cb 0.52 0.49 -0.11 0.00 2.79 0.00 0.00 35.95 39.63 3k1q h PHE 864 CO 0.05 -0.33 -0.18 0.28 -2.23 0.00 0.00 178.31 175.90 3k1q h VAL 865 N -0.30 0.36 -0.02 1.41 2.07 -1.45 -2.22 116.25 116.10 3k1q h VAL 865 Ca 0.04 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.55 3k1q h VAL 865 Cb 0.40 0.36 -0.00 0.00 -1.52 0.00 0.00 31.29 30.53 3k1q h VAL 865 CO -0.34 0.00 0.01 0.00 0.02 0.00 0.00 177.57 177.26 3k1q h ALA 867 N 0.90 1.23 0.80 0.00 0.00 -0.72 -2.03 119.26 119.43 3k1q h ALA 867 Ca 0.01 0.29 -0.04 0.00 0.00 0.00 0.00 54.91 55.17 3k1q h ALA 867 Cb 0.11 0.48 0.01 0.00 0.00 0.00 0.00 17.79 18.38 3k1q h ALA 867 CO -0.00 -0.55 -0.38 -0.09 0.00 0.00 0.00 179.25 178.22 3k1q h ARG 868 N 0.07 -1.03 -0.84 0.00 2.43 -0.71 -0.98 114.38 113.32 3k1q h ARG 868 Ca 0.58 0.07 0.06 0.00 -0.81 0.00 0.00 59.98 59.89 3k1q h ARG 868 Cb 1.22 0.23 -0.05 0.00 -0.42 0.00 0.00 29.97 30.95 3k1q h ARG 868 CO -0.81 -0.69 0.55 1.03 -1.51 0.00 0.00 179.97 178.54 3k1q h SER 869 N -1.26 0.83 -0.27 -3.80 0.87 -1.26 -0.04 113.55 108.61 3k1q h SER 869 Ca -0.11 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.41 3k1q h SER 869 Cb 0.82 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.60 3k1q h SER 869 CO 0.18 0.53 -0.01 0.00 -0.53 0.00 0.00 176.83 177.01 3k1q h ALA 870 N 1.54 0.37 0.00 6.23 0.00 -1.23 -3.01 119.26 123.16 3k1q h ALA 870 Ca 0.36 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 3k1q h ALA 870 Cb 0.21 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3k1q h ALA 870 CO -0.13 0.12 -0.23 -0.24 0.00 0.00 0.00 179.25 178.77 3k1q h VAL 871 N 0.27 0.74 0.00 0.00 3.04 0.16 -1.98 116.25 118.48 3k1q h VAL 871 Ca 0.08 -0.94 0.00 0.00 -1.01 0.00 0.00 66.70 64.83 3k1q h VAL 871 Cb 0.44 1.58 0.00 0.00 -2.01 0.00 0.00 31.29 31.30 3k1q h VAL 871 CO 0.02 0.22 0.00 0.00 -1.01 0.00 0.00 177.57 176.80 3k1q n ALA 872 N -2.31 2.19 1.31 3.17 0.00 -0.16 -0.22 120.51 124.50 3k1q n ALA 872 Ca -0.01 -0.10 0.14 0.00 0.00 0.00 0.00 53.44 53.46 3k1q n ALA 872 Cb 0.35 -1.40 0.51 0.00 0.00 0.00 0.00 19.45 18.91 3k1q n ALA 872 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3k1q n GLN 873 N -1.38 0.68 -0.03 0.00 1.13 -0.74 -4.24 117.38 112.79 3k1q n GLN 873 Ca 0.09 -0.30 -0.03 0.00 -1.94 0.00 0.00 57.00 54.82 3k1q n GLN 873 Cb 0.23 -1.49 -0.05 0.00 0.11 0.00 0.00 30.24 29.04 3k1q n GLN 873 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3k1q s GLN 875 N -2.14 2.96 -0.24 0.00 -1.52 0.69 -4.63 119.66 114.77 3k1q s GLN 875 Ca -0.04 -0.69 -0.28 0.00 -1.95 0.00 0.00 55.36 52.40 3k1q s GLN 875 Cb 0.02 -2.51 -0.05 0.00 -0.22 0.00 0.00 33.01 30.24 3k1q s GLN 875 CO 0.24 0.42 2.24 -0.25 -0.25 0.00 0.00 175.29 177.68 3k1q n ASP 876 N 2.93 3.15 -4.51 5.90 8.00 -1.26 -3.89 116.55 126.86 3k1q n ASP 876 Ca -0.18 0.17 -0.24 0.00 0.71 0.00 0.00 54.79 55.25 3k1q n ASP 876 Cb 0.52 -1.54 -0.09 0.00 -0.02 0.00 0.00 41.12 39.99 3k1q n ASP 876 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3k1q s ALA 877 N 8.52 2.86 -1.17 2.24 0.00 -1.26 -5.03 121.76 127.92 3k1q s ALA 877 Ca 1.01 -1.86 0.00 0.00 0.00 0.00 0.00 51.96 51.12 3k1q s ALA 877 Cb -0.35 -0.35 0.00 0.00 0.00 0.00 0.00 23.12 22.42 3k1q s ALA 877 CO 0.35 0.26 0.16 0.41 0.00 0.00 0.00 175.76 176.94 3k1q n GLY 878 N -0.69 0.30 2.79 0.00 0.00 -1.26 -4.69 105.19 101.63 3k1q n GLY 878 Ca -0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.72 3k1q n GLY 878 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3k1q s PHE 879 N -1.17 0.95 -0.06 1.61 2.99 -1.26 -5.09 117.98 115.95 3k1q s PHE 879 Ca 0.00 -0.50 -0.30 0.00 0.00 0.00 0.00 56.93 56.13 3k1q s PHE 879 Cb 0.00 -0.96 -0.05 0.00 0.00 0.00 0.00 43.02 42.01 3k1q s PHE 879 CO 0.00 -0.45 1.56 -1.17 -0.00 0.00 0.00 175.22 175.15 3k1q s LEU 880 N 1.88 4.30 0.16 -0.37 2.96 -1.26 -4.97 118.68 121.38 3k1q s LEU 880 Ca 0.03 2.15 0.08 0.00 -0.22 0.00 0.00 54.13 56.17 3k1q s LEU 880 Cb -0.14 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.97 3k1q s LEU 880 CO -0.07 -0.87 -0.17 0.68 -1.32 0.00 0.00 176.35 174.61 3k1q s VAL 881 N 3.62 1.68 0.30 1.68 -7.23 -1.26 -5.12 120.40 114.07 3k1q s VAL 881 Ca 0.69 -1.91 -0.29 0.00 -1.81 0.00 0.00 61.98 58.66 3k1q s VAL 881 Cb -0.32 -1.80 -0.10 0.00 0.56 0.00 0.00 36.38 34.73 3k1q s VAL 881 CO 0.27 -0.38 1.15 -2.84 -0.31 0.00 0.00 175.10 172.99 3k1q s PRO 882 N -2.89 4.55 -0.26 4.82 0.02 -1.26 -5.06 135.00 134.92 3k1q s PRO 882 Ca 0.15 1.91 0.01 0.00 0.02 0.00 0.00 61.00 63.09 3k1q s PRO 882 Cb -0.05 -3.14 0.07 0.00 0.02 0.00 0.00 34.50 31.40 3k1q s PRO 882 CO 0.06 0.09 -0.01 1.03 -0.33 0.00 0.00 177.00 177.84 3k1q s ARG 883 N -1.56 1.38 -0.24 5.54 0.52 -1.26 -4.87 118.95 118.46 3k1q s ARG 883 Ca 0.46 -1.08 -0.10 0.00 -0.52 0.00 0.00 55.73 54.49 3k1q s ARG 883 Cb -0.34 -2.54 -0.17 0.00 0.52 0.00 0.00 34.95 32.43 3k1q s ARG 883 CO 0.44 -0.71 -0.13 -0.35 0.02 0.00 0.00 175.30 174.57 3k1q n PRO 884 N 4.67 0.63 -0.29 3.54 -0.04 -1.26 -4.69 135.00 137.55 3k1q n PRO 884 Ca -0.08 0.28 -0.05 0.00 -0.04 0.00 0.00 63.50 63.61 3k1q n PRO 884 Cb 0.44 -1.57 0.03 0.00 -0.04 0.00 0.00 33.50 32.36 3k1q n PRO 884 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3k1q n LEU 885 N -3.88 3.99 0.27 1.53 4.77 -1.26 -4.40 117.00 118.02 3k1q n LEU 885 Ca -0.45 -2.02 0.15 0.00 -0.03 0.00 0.00 56.01 53.65 3k1q n LEU 885 Cb 0.91 -0.63 0.78 0.00 -2.33 0.00 0.00 43.42 42.14 3k1q n LEU 885 CO 0.18 0.67 1.00 0.44 -1.33 0.00 0.00 177.39 178.35 3k1q h ASP 886 N 0.32 0.00 1.27 -1.43 3.32 -1.94 0.40 116.42 118.36 3k1q h ASP 886 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3k1q h ASP 886 Cb 1.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.86 3k1q h ASP 886 CO 0.23 0.09 0.00 0.00 -1.72 0.00 0.00 179.24 177.84 3k1q h ALA 887 N 1.91 1.00 -1.16 3.45 0.00 -1.98 -3.42 119.26 119.05 3k1q h ALA 887 Ca -0.00 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.33 3k1q h ALA 887 Cb 0.33 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.03 3k1q h ALA 887 CO 0.01 0.00 1.39 -1.17 0.00 0.00 0.00 179.25 179.48 3k1q s LEU 888 N -5.70 3.42 -0.32 0.00 2.96 0.14 -4.64 118.68 114.54 3k1q s LEU 888 Ca 0.04 -1.20 -0.37 0.00 -0.22 0.00 0.00 54.13 52.38 3k1q s LEU 888 Cb 0.08 -2.57 -0.13 0.00 0.50 0.00 0.00 46.19 44.08 3k1q s LEU 888 CO 0.55 -1.61 2.05 -1.14 -1.32 0.00 0.00 176.35 174.88 3k1q n ARG 889 N 9.00 1.12 -4.66 1.98 0.63 -1.26 -4.57 116.66 118.90 3k1q n ARG 889 Ca 0.26 0.35 -0.26 0.00 -0.92 0.00 0.00 57.85 57.28 3k1q n ARG 889 Cb 0.50 -2.32 -0.14 0.00 0.45 0.00 0.00 32.46 30.95 3k1q n ARG 889 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 3k1q s GLN 890 N 5.34 1.45 0.98 -0.14 2.00 -1.25 -4.32 119.66 123.71 3k1q s GLN 890 Ca 1.06 -1.00 -0.14 0.00 -2.00 0.00 0.00 55.36 53.28 3k1q s GLN 890 Cb -0.94 -1.59 0.04 0.00 0.80 0.00 0.00 33.01 31.31 3k1q s GLN 890 CO 0.55 0.40 0.30 1.97 -0.50 0.00 0.00 175.29 178.01 3k1q n PHE 891 N 1.75 -1.59 -2.04 1.67 1.16 -0.91 -4.90 117.46 112.59 3k1q n PHE 891 Ca -0.17 0.21 -0.27 0.00 -1.87 0.00 0.00 57.45 55.34 3k1q n PHE 891 Cb 0.53 -1.74 -0.06 0.00 -1.61 0.00 0.00 39.48 36.60 3k1q n PHE 891 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 3k1q s ASP 892 N -1.95 4.98 -0.23 5.98 -1.08 -1.26 -4.91 116.67 118.19 3k1q s ASP 892 Ca 0.56 -1.45 -0.35 0.00 -0.52 0.00 0.00 52.55 50.79 3k1q s ASP 892 Cb -0.20 -2.58 -0.12 0.00 -1.46 0.00 0.00 42.92 38.56 3k1q s ASP 892 CO 0.68 -3.09 1.99 0.52 0.52 0.00 0.00 175.17 175.79 3k1q n VAL 893 N 7.87 0.37 -1.98 1.11 0.31 -1.26 -4.99 118.33 119.75 3k1q n VAL 893 Ca 0.44 -0.17 -0.29 0.00 -0.01 0.00 0.00 64.34 64.31 3k1q n VAL 893 Cb 0.47 -1.70 0.06 0.00 -0.91 0.00 0.00 33.84 31.75 3k1q n VAL 893 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3k1q s THR 894 N 5.43 2.95 0.28 2.52 -4.23 -1.26 -4.95 115.64 116.39 3k1q s THR 894 Ca 1.01 0.21 -0.01 0.00 -1.18 0.00 0.00 61.69 61.71 3k1q s THR 894 Cb -0.81 -3.29 0.34 0.00 1.34 0.00 0.00 72.50 70.09 3k1q s THR 894 CO 0.53 -0.36 1.61 0.77 -0.54 0.00 0.00 174.62 176.63 3k1q h SER 895 N -0.71 -0.33 -0.46 3.99 4.64 -1.98 0.23 113.55 118.93 3k1q h SER 895 Ca -0.45 0.23 0.01 0.00 -0.47 0.00 0.00 61.79 61.11 3k1q h SER 895 Cb 1.28 0.39 -0.02 0.00 -0.31 0.00 0.00 62.40 63.74 3k1q h SER 895 CO 0.64 -0.25 0.30 0.00 -0.87 0.00 0.00 176.83 176.65 3k1q h ALA 896 N 1.84 0.58 -0.37 5.18 0.00 -1.95 -1.30 119.26 123.25 3k1q h ALA 896 Ca 0.52 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.29 3k1q h ALA 896 Cb 1.02 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3k1q h ALA 896 CO -0.77 0.02 -0.20 0.00 0.00 0.00 0.00 179.25 178.30 3k1q h ALA 897 N 1.17 0.52 -0.95 0.00 0.00 -1.62 -1.20 119.26 117.18 3k1q h ALA 897 Ca 0.17 -0.37 0.04 0.00 0.00 0.00 0.00 54.91 54.75 3k1q h ALA 897 Cb -0.06 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.55 3k1q h ALA 897 CO -0.04 0.47 0.62 0.00 0.00 0.00 0.00 179.25 180.30 3k1q h ALA 898 N 0.79 1.40 -0.36 0.00 0.00 -0.41 0.05 119.26 120.72 3k1q h ALA 898 Ca 0.08 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3k1q h ALA 898 Cb 0.75 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3k1q h ALA 898 CO 0.06 0.51 0.15 0.00 0.00 0.00 0.00 179.25 179.97 3k1q h ALA 899 N 1.45 1.60 -0.03 0.00 0.00 -0.28 -0.06 119.26 121.93 3k1q h ALA 899 Ca 0.38 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 3k1q h ALA 899 Cb 0.03 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 3k1q h ALA 899 CO -0.12 0.32 0.01 0.93 0.00 0.00 0.00 179.25 180.39 3k1q h GLU 900 N 0.50 0.05 -0.76 0.00 5.08 0.10 -1.70 114.58 117.85 3k1q h GLU 900 Ca 0.13 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 3k1q h GLU 900 Cb 0.09 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.29 3k1q h GLU 900 CO -0.01 0.21 0.45 0.82 -1.00 0.00 0.00 179.01 179.47 3k1q h ILE 901 N -0.12 1.22 0.24 3.13 2.04 -0.70 -2.08 117.51 121.24 3k1q h ILE 901 Ca 0.01 -0.49 -0.00 0.00 1.00 0.00 0.00 64.86 65.38 3k1q h ILE 901 Cb 0.18 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.42 3k1q h ILE 901 CO -0.00 0.23 -0.20 -0.03 0.00 0.00 0.00 178.15 178.15 3k1q h MET 902 N 1.04 -0.44 -0.50 2.37 4.05 -0.94 -1.91 114.93 118.61 3k1q h MET 902 Ca 0.27 0.03 0.09 0.00 -0.28 0.00 0.00 59.70 59.81 3k1q h MET 902 Cb -0.02 0.10 -0.08 0.00 -0.80 0.00 0.00 31.60 30.80 3k1q h MET 902 CO -0.05 -0.29 0.05 1.25 0.23 0.00 0.00 176.91 178.10 3k1q h HIS 903 N -0.46 0.07 -0.58 1.39 2.76 -0.83 0.13 115.15 117.64 3k1q h HIS 903 Ca -0.01 0.03 0.02 0.00 -2.20 0.00 0.00 60.37 58.21 3k1q h HIS 903 Cb 0.41 0.04 -0.03 0.00 1.55 0.00 0.00 27.41 29.38 3k1q h HIS 903 CO -0.13 -0.06 0.38 0.00 -1.30 0.00 0.00 177.93 176.82 3k1q h ALA 904 N 1.41 1.65 -0.73 5.26 0.00 -1.16 0.24 119.26 125.94 3k1q h ALA 904 Ca 0.25 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 3k1q h ALA 904 Cb 0.36 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3k1q h ALA 904 CO -0.37 0.30 0.31 0.28 0.00 0.00 0.00 179.25 179.77 3k1q h VAL 905 N 0.72 1.25 -0.32 0.00 2.07 -0.66 -0.07 116.25 119.23 3k1q h VAL 905 Ca 0.22 -0.75 -0.06 0.00 0.82 0.00 0.00 66.70 66.94 3k1q h VAL 905 Cb 0.02 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 3k1q h VAL 905 CO -0.06 0.31 -0.03 -1.13 0.02 0.00 0.00 177.57 176.68 3k1q h ASN 906 N 1.04 0.59 -0.19 0.57 -1.24 -0.65 -2.35 115.58 113.34 3k1q h ASN 906 Ca 0.25 -0.33 -0.09 0.00 0.71 0.00 0.00 56.30 56.83 3k1q h ASN 906 Cb 0.18 -0.16 -0.02 0.00 0.73 0.00 0.00 38.32 39.06 3k1q h ASN 906 CO -0.02 0.78 -0.19 0.44 -1.29 0.00 0.00 177.43 177.15 3k1q h ASP 907 N 0.38 0.62 -0.61 1.15 3.32 -0.17 -2.61 116.42 118.51 3k1q h ASP 907 Ca 0.09 -0.20 0.13 0.00 0.02 0.00 0.00 57.03 57.07 3k1q h ASP 907 Cb 0.49 -0.17 -0.11 0.00 0.22 0.00 0.00 39.33 39.77 3k1q h ASP 907 CO 0.02 0.81 -0.03 0.00 -1.72 0.00 0.00 179.24 178.33 3k1q h ALA 908 N 1.24 0.57 0.53 3.45 0.00 -0.50 -1.06 119.26 123.49 3k1q h ALA 908 Ca 0.09 0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 3k1q h ALA 908 Cb 0.63 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3k1q h ALA 908 CO 0.04 -0.40 -0.28 0.74 0.00 0.00 0.00 179.25 179.36 3k1q h PHE 909 N 0.09 -0.72 -0.54 0.00 0.04 -1.18 -1.97 116.94 112.66 3k1q h PHE 909 Ca 0.31 -0.01 0.11 0.00 2.80 0.00 0.00 57.97 61.18 3k1q h PHE 909 Cb 0.50 0.24 -0.10 0.00 2.20 0.00 0.00 35.95 38.80 3k1q h PHE 909 CO -0.39 -0.44 -0.10 0.87 -0.60 0.00 0.00 178.31 177.66 3k1q h LYS 910 N -0.74 0.03 -0.29 1.51 1.57 -1.32 -0.69 116.57 116.64 3k1q h LYS 910 Ca -0.07 -0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.78 3k1q h LYS 910 Cb 0.58 -0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.82 3k1q h LYS 910 CO 0.10 0.02 -0.16 1.79 -0.57 0.00 0.00 179.45 180.63 3k1q h THR 911 N 0.03 0.52 -0.23 -0.16 1.35 -1.20 -1.76 112.91 111.46 3k1q h THR 911 Ca 0.27 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.13 3k1q h THR 911 Cb 0.41 0.52 -0.01 0.00 -1.73 0.00 0.00 68.15 67.34 3k1q h THR 911 CO -0.53 0.00 0.15 0.00 -0.25 0.00 0.00 175.52 174.89 3k1q h ALA 912 N 1.07 0.29 -0.32 6.62 0.00 -0.35 0.03 119.26 126.59 3k1q h ALA 912 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3k1q h ALA 912 Cb 0.36 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3k1q h ALA 912 CO -0.37 -0.24 0.00 1.19 0.00 0.00 0.00 179.25 179.83 3k1q n PHE 913 N -4.94 0.56 -3.58 0.00 3.01 -0.69 -4.98 117.46 106.85 3k1q n PHE 913 Ca -0.03 -0.25 -0.24 0.00 1.01 0.00 0.00 57.45 57.94 3k1q n PHE 913 Cb 0.03 -0.06 0.03 0.00 -0.01 0.00 0.00 39.48 39.46 3k1q n PHE 913 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 3k1q n ASP 914 N 0.44 -5.74 -3.83 4.37 4.64 -0.00 -2.65 116.55 113.78 3k1q n ASP 914 Ca 0.12 -0.83 -0.28 0.00 -1.38 0.00 0.00 54.79 52.42 3k1q n ASP 914 Cb 0.37 -3.44 -0.16 0.00 -1.04 0.00 0.00 41.12 36.85 3k1q n ASP 914 CO 0.00 0.00 0.00 -0.22 -0.82 0.00 0.00 177.20 176.16 3k1q s LEU 915 N -5.71 1.57 0.06 -2.67 2.96 -0.68 -4.80 118.68 109.40 3k1q s LEU 915 Ca 0.30 -0.78 -0.17 0.00 -0.22 0.00 0.00 54.13 53.26 3k1q s LEU 915 Cb -0.11 -0.82 -0.16 0.00 0.50 0.00 0.00 46.19 45.61 3k1q s LEU 915 CO 0.85 -0.24 1.27 -0.78 -1.32 0.00 0.00 176.35 176.13 3k1q h ASP 916 N 8.15 0.65 -4.28 3.68 1.82 -1.90 -3.43 116.42 121.11 3k1q h ASP 916 Ca -0.20 -0.61 -0.52 0.00 -0.39 0.00 0.00 57.03 55.32 3k1q h ASP 916 Cb 1.11 -0.19 0.17 0.00 0.68 0.00 0.00 39.33 41.10 3k1q h ASP 916 CO 0.37 1.14 0.26 -0.83 -1.61 0.00 0.00 179.24 178.58 3k1q s GLY 917 N -3.86 1.72 -0.16 -0.78 0.00 -1.26 -4.97 107.32 98.01 3k1q s GLY 917 Ca -0.13 0.51 -0.29 0.00 0.00 0.00 0.00 44.72 44.81 3k1q s GLY 917 CO 0.83 0.91 1.67 0.00 0.00 0.00 0.00 173.10 176.50 3k1q s ALA 918 N -2.69 3.35 -0.21 3.20 0.00 -1.26 -5.02 121.76 119.14 3k1q s ALA 918 Ca 0.65 0.65 -0.01 0.00 0.00 0.00 0.00 51.96 53.25 3k1q s ALA 918 Cb -0.21 -3.83 0.01 0.00 0.00 0.00 0.00 23.12 19.09 3k1q s ALA 918 CO 0.57 -1.82 -0.12 -1.17 0.00 0.00 0.00 175.76 173.22 3k1q s LEU 919 N 5.00 2.60 0.00 0.00 2.96 -1.26 -4.87 118.68 123.11 3k1q s LEU 919 Ca 0.74 -0.63 0.00 0.00 -0.22 0.00 0.00 54.13 54.02 3k1q s LEU 919 Cb -0.28 -1.60 0.00 0.00 0.50 0.00 0.00 46.19 44.81 3k1q s LEU 919 CO 0.30 -0.03 0.00 0.18 -1.32 0.00 0.00 176.35 175.47 3k1q n LEU 920 N 4.68 0.00 -0.08 -0.68 4.77 -1.26 -4.70 117.00 119.74 3k1q n LEU 920 Ca -0.19 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 3k1q n LEU 920 Cb 0.50 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.60 3k1q n LEU 920 CO 0.27 0.00 0.12 -0.67 -1.33 0.00 0.00 177.39 175.78 3k1q n ASP 921 N 1.27 -0.12 -0.10 -1.43 4.64 -1.26 -1.07 116.55 118.49 3k1q n ASP 921 Ca 0.00 0.35 -0.03 0.00 -1.38 0.00 0.00 54.79 53.74 3k1q n ASP 921 Cb 0.00 -0.09 -0.02 0.00 -1.04 0.00 0.00 41.12 39.97 3k1q n ASP 921 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3k1q n GLY 922 N -1.10 -0.78 0.28 0.27 0.00 -1.26 -0.98 105.19 101.60 3k1q n GLY 922 Ca 0.02 0.31 0.04 0.00 0.00 0.00 0.00 46.02 46.40 3k1q n GLY 922 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3k1q h LEU 923 N 0.00 0.30 -1.10 0.99 3.38 -1.49 -2.95 115.31 114.42 3k1q h LEU 923 Ca 0.04 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 3k1q h LEU 923 Cb 0.09 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3k1q h LEU 923 CO -0.22 0.28 -0.20 0.00 0.09 0.00 0.00 178.44 178.39 3k1q h ALA 924 N 1.77 1.25 -0.03 1.53 0.00 -1.20 -2.91 119.26 119.68 3k1q h ALA 924 Ca 0.09 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.71 3k1q h ALA 924 Cb 0.07 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 3k1q h ALA 924 CO -0.01 0.49 0.24 -0.07 0.00 0.00 0.00 179.25 179.90 3k1q h LEU 925 N 0.36 0.00 -3.27 0.00 3.38 -1.33 -3.15 115.31 111.30 3k1q h LEU 925 Ca 0.06 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.71 3k1q h LEU 925 Cb 0.56 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.13 3k1q h LEU 925 CO 0.04 0.00 0.41 -1.22 0.09 0.00 0.00 178.44 177.76 3k1q n TYR 926 N -3.03 1.79 0.00 1.13 4.01 -1.10 -4.84 117.16 115.11 3k1q n TYR 926 Ca -0.02 -1.54 0.00 0.00 -0.16 0.00 0.00 57.90 56.19 3k1q n TYR 926 Cb 0.30 -0.77 0.00 0.00 -0.31 0.00 0.00 39.34 38.56 3k1q n TYR 926 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3k1q n GLY 927 N -0.28 0.77 2.79 2.72 0.00 -1.19 -4.72 105.19 105.27 3k1q n GLY 927 Ca 0.35 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.07 3k1q n GLY 927 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3k1q s ASP 928 N 0.00 3.92 0.07 1.61 3.68 -1.26 -4.96 116.67 119.72 3k1q s ASP 928 Ca 0.00 -1.51 0.27 0.00 2.13 0.00 0.00 52.55 53.44 3k1q s ASP 928 Cb 0.00 -0.94 0.81 0.00 -1.45 0.00 0.00 42.92 41.34 3k1q s ASP 928 CO 0.00 -0.37 1.67 -0.81 0.13 0.00 0.00 175.17 175.78 3k1q n PRO 929 N 4.80 0.12 0.29 4.34 -0.04 -1.26 -4.50 135.00 138.75 3k1q n PRO 929 Ca -0.04 0.07 0.16 0.00 -0.04 0.00 0.00 63.50 63.65 3k1q n PRO 929 Cb 0.43 -1.61 0.80 0.00 -0.04 0.00 0.00 33.50 33.08 3k1q n PRO 929 CO 0.00 0.00 0.00 0.07 -0.04 0.00 0.00 175.50 175.53 3k1q h ARG 930 N 0.00 0.00 -3.28 0.54 0.11 -1.92 -3.31 114.38 106.52 3k1q h ARG 930 Ca 0.00 0.00 -0.64 0.00 0.10 0.00 0.00 59.98 59.44 3k1q h ARG 930 Cb 0.61 0.00 -0.40 0.00 1.11 0.00 0.00 29.97 31.28 3k1q h ARG 930 CO 0.00 0.00 -0.54 0.42 0.10 0.00 0.00 179.97 179.95 3k1q s ILE 931 N -4.19 2.96 -0.89 0.08 1.09 -1.26 -5.01 121.20 113.98 3k1q s ILE 931 Ca -0.03 -3.71 -0.18 0.00 -1.10 0.00 0.00 60.65 55.62 3k1q s ILE 931 Cb 0.10 -2.97 0.14 0.00 -1.06 0.00 0.00 42.46 38.66 3k1q s ILE 931 CO 0.32 -0.91 1.06 0.00 -0.10 0.00 0.00 174.94 175.31 3k1q s ALA 932 N -0.81 3.43 -0.39 9.38 0.00 -1.25 -4.13 121.76 127.99 3k1q s ALA 932 Ca 0.21 -2.75 -0.05 0.00 0.00 0.00 0.00 51.96 49.37 3k1q s ALA 932 Cb -0.16 -3.96 0.09 0.00 0.00 0.00 0.00 23.12 19.09 3k1q s ALA 932 CO -0.08 -2.86 0.19 0.34 0.00 0.00 0.00 175.76 173.35 3k1q s ASP 933 N 3.47 5.34 -0.14 0.00 2.15 -0.83 -5.01 116.67 121.65 3k1q s ASP 933 Ca 0.29 -1.68 -0.05 0.00 0.43 0.00 0.00 52.55 51.54 3k1q s ASP 933 Cb -0.07 -1.87 -0.04 0.00 -0.30 0.00 0.00 42.92 40.64 3k1q s ASP 933 CO -0.07 -0.49 0.05 -0.22 -0.17 0.00 0.00 175.17 174.27 3k1q s LEU 934 N 1.27 3.82 -0.04 -1.34 2.96 -1.26 -3.39 118.68 120.70 3k1q s LEU 934 Ca 0.04 0.16 0.02 0.00 -0.22 0.00 0.00 54.13 54.12 3k1q s LEU 934 Cb -0.22 -1.93 0.01 0.00 0.50 0.00 0.00 46.19 44.55 3k1q s LEU 934 CO -0.01 0.28 -0.07 -0.55 -1.32 0.00 0.00 176.35 174.68 3k1q s SER 935 N -0.28 1.14 -0.75 3.68 0.15 -0.63 -4.21 113.70 112.80 3k1q s SER 935 Ca 0.08 -0.17 -0.16 0.00 0.70 0.00 0.00 55.95 56.40 3k1q s SER 935 Cb -0.12 -0.47 0.18 0.00 -1.71 0.00 0.00 66.02 63.89 3k1q s SER 935 CO 0.02 0.00 0.75 0.00 1.20 0.00 0.00 173.24 175.21 3k1q s ALA 936 N 0.62 3.82 0.27 5.45 0.00 0.69 -1.95 121.76 130.68 3k1q s ALA 936 Ca -0.10 -2.96 0.10 0.00 0.00 0.00 0.00 51.96 49.00 3k1q s ALA 936 Cb -0.13 -3.54 -0.05 0.00 0.00 0.00 0.00 23.12 19.40 3k1q s ALA 936 CO 0.01 -2.32 -0.15 0.00 0.00 0.00 0.00 175.76 173.30 3k1q s ALA 937 N 1.09 2.56 0.07 0.00 0.00 -0.53 -1.27 121.76 123.67 3k1q s ALA 937 Ca 0.16 -1.87 -0.08 0.00 0.00 0.00 0.00 51.96 50.17 3k1q s ALA 937 Cb -0.15 -0.12 -0.01 0.00 0.00 0.00 0.00 23.12 22.85 3k1q s ALA 937 CO -0.05 0.14 0.16 1.52 0.00 0.00 0.00 175.76 177.53 3k1q s TYR 938 N -2.71 0.18 -0.05 0.00 -0.85 -1.07 0.64 117.35 113.48 3k1q s TYR 938 Ca 0.29 -0.55 0.03 0.00 -0.52 0.00 0.00 57.07 56.31 3k1q s TYR 938 Cb -0.01 -0.10 0.01 0.00 0.38 0.00 0.00 41.96 42.23 3k1q s TYR 938 CO 0.13 -0.48 -0.14 -1.17 -1.52 0.00 0.00 175.55 172.37 3k1q s LEU 939 N -2.60 1.79 -0.04 -3.49 0.20 0.31 -3.46 118.68 111.39 3k1q s LEU 939 Ca 0.02 -0.32 0.02 0.00 0.69 0.00 0.00 54.13 54.54 3k1q s LEU 939 Cb 0.03 -0.87 -0.03 0.00 -0.43 0.00 0.00 46.19 44.89 3k1q s LEU 939 CO -0.08 0.09 -0.06 -1.58 -0.29 0.00 0.00 176.35 174.42 3k1q s GLN 940 N 0.35 2.69 0.23 1.98 -0.44 -0.82 -0.85 119.66 122.80 3k1q s GLN 940 Ca -0.09 -0.60 -0.10 0.00 -2.50 0.00 0.00 55.36 52.07 3k1q s GLN 940 Cb -0.13 -2.57 0.35 0.00 -1.64 0.00 0.00 33.01 29.02 3k1q s GLN 940 CO 0.03 0.64 1.64 0.10 0.50 0.00 0.00 175.29 178.20 3k1q h TYR 941 N 4.98 -0.12 0.00 1.67 -0.00 -1.65 -1.01 116.97 120.84 3k1q h TYR 941 Ca -0.49 0.05 -0.44 0.00 0.00 0.00 0.00 58.73 57.86 3k1q h TYR 941 Cb 1.17 0.16 0.02 0.00 0.00 0.00 0.00 36.73 38.08 3k1q h TYR 941 CO 0.57 -0.23 2.77 0.41 -0.00 0.00 0.00 178.16 181.68 3k1q n GLY 942 N -1.41 3.26 2.95 0.10 0.00 -1.26 -4.72 105.19 104.11 3k1q n GLY 942 Ca 0.11 -0.97 -0.11 0.00 0.00 0.00 0.00 46.02 45.04 3k1q n GLY 942 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k1q n GLY 943 N 3.80 -0.45 3.23 -0.02 0.00 -0.48 -4.93 105.19 106.34 3k1q n GLY 943 Ca 0.50 0.02 -0.42 0.00 0.00 0.00 0.00 46.02 46.11 3k1q n GLY 943 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3k1q s ASN 944 N -2.24 6.07 -0.22 1.61 3.84 -0.64 -4.93 114.94 118.42 3k1q s ASN 944 Ca 0.22 -2.71 -0.18 0.00 0.21 0.00 0.00 52.86 50.40 3k1q s ASN 944 Cb -0.13 -2.05 -0.03 0.00 -0.55 0.00 0.00 41.25 38.49 3k1q s ASN 944 CO 0.27 -0.50 0.51 -0.69 -2.79 0.00 0.00 177.10 173.90 3k1q s VAL 945 N 0.15 5.10 -0.77 -5.21 1.01 -1.26 -1.94 120.40 117.48 3k1q s VAL 945 Ca 0.17 0.92 -0.10 0.00 0.00 0.00 0.00 61.98 62.97 3k1q s VAL 945 Cb -0.16 -3.83 0.20 0.00 0.00 0.00 0.00 36.38 32.59 3k1q s VAL 945 CO -0.06 0.15 0.67 -0.69 0.00 0.00 0.00 175.10 175.18 3k1q s VAL 946 N 1.83 5.02 -0.37 2.92 1.01 -1.22 -5.01 120.40 124.57 3k1q s VAL 946 Ca 0.23 -2.67 -0.16 0.00 0.00 0.00 0.00 61.98 59.38 3k1q s VAL 946 Cb -0.15 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 32.09 3k1q s VAL 946 CO 0.09 -0.99 0.38 0.00 0.00 0.00 0.00 175.10 174.58 3k1q s ARG 947 N 0.03 3.37 -0.33 2.72 1.70 -1.26 -2.61 118.95 122.58 3k1q s ARG 947 Ca 0.18 -0.57 -0.08 0.00 -0.47 0.00 0.00 55.73 54.79 3k1q s ARG 947 Cb -0.13 -3.87 0.02 0.00 -0.57 0.00 0.00 34.95 30.40 3k1q s ARG 947 CO -0.07 -0.64 0.12 -1.21 -1.08 0.00 0.00 175.30 172.42 3k1q s GLU 948 N 2.02 2.91 -0.17 3.89 2.02 -0.40 -4.92 118.70 124.06 3k1q s GLU 948 Ca 0.11 -0.99 -0.07 0.00 0.02 0.00 0.00 54.97 54.04 3k1q s GLU 948 Cb -0.17 -3.49 -0.04 0.00 0.10 0.00 0.00 34.13 30.53 3k1q s GLU 948 CO 0.12 -0.57 0.08 -1.01 0.02 0.00 0.00 175.26 173.90 3k1q s HIS 949 N 1.49 3.31 -0.47 1.61 3.76 -1.26 -0.22 115.29 123.51 3k1q s HIS 949 Ca 0.01 0.18 -0.06 0.00 -0.15 0.00 0.00 55.06 55.04 3k1q s HIS 949 Cb -0.18 -2.04 0.12 0.00 1.11 0.00 0.00 32.58 31.59 3k1q s HIS 949 CO 0.04 0.28 0.31 0.14 -0.85 0.00 0.00 174.74 174.66 3k1q s VAL 950 N 0.06 3.86 0.23 -0.90 -7.23 -1.26 -5.07 120.40 110.10 3k1q s VAL 950 Ca 0.06 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.94 3k1q s VAL 950 Cb -0.12 -3.57 -0.09 0.00 0.56 0.00 0.00 36.38 33.15 3k1q s VAL 950 CO 0.00 -0.76 1.32 -2.16 -0.31 0.00 0.00 175.10 173.20 3k1q s PRO 951 N 1.14 4.37 -0.20 4.82 0.04 -1.26 -5.00 135.00 138.91 3k1q s PRO 951 Ca 0.08 2.11 -0.25 0.00 0.04 0.00 0.00 61.00 62.98 3k1q s PRO 951 Cb -0.24 -3.16 -0.01 0.00 0.04 0.00 0.00 34.50 31.13 3k1q s PRO 951 CO -0.02 -0.25 0.85 -2.14 0.04 0.00 0.00 177.00 175.47 3k1q s PRO 952 N -0.47 4.25 1.00 0.56 0.02 -1.26 -5.06 135.00 134.04 3k1q s PRO 952 Ca 0.55 1.02 -0.12 0.00 0.02 0.00 0.00 61.00 62.47 3k1q s PRO 952 Cb -0.38 -3.61 0.19 0.00 0.02 0.00 0.00 34.50 30.72 3k1q s PRO 952 CO 0.41 -0.43 1.10 0.20 -0.33 0.00 0.00 177.00 177.96 3k1q s GLY 953 N 1.23 1.56 0.61 0.52 0.00 -1.26 -5.03 107.32 104.96 3k1q s GLY 953 Ca 0.37 -0.41 -0.18 0.00 0.00 0.00 0.00 44.72 44.50 3k1q s GLY 953 CO 0.10 0.20 -0.23 -1.55 0.00 0.00 0.00 173.10 171.61 3k1q n PRO 954 N -4.14 0.02 -3.38 2.90 -0.04 -1.26 -4.99 135.00 124.11 3k1q n PRO 954 Ca 0.05 0.01 -0.17 0.00 -0.04 0.00 0.00 63.50 63.35 3k1q n PRO 954 Cb 0.58 -1.04 -0.09 0.00 -0.04 0.00 0.00 33.50 32.91 3k1q n PRO 954 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3k1q s SER 955 N -1.02 1.46 0.32 3.54 0.15 -1.26 -5.00 113.70 111.89 3k1q s SER 955 Ca 0.54 -1.18 0.07 0.00 0.70 0.00 0.00 55.95 56.08 3k1q s SER 955 Cb -0.43 0.51 0.74 0.00 -1.71 0.00 0.00 66.02 65.14 3k1q s SER 955 CO 0.69 -0.33 1.81 0.45 1.20 0.00 0.00 173.24 177.07 3k1q h HIS 956 N 7.66 1.00 -0.10 3.44 3.86 -1.94 0.40 115.15 129.48 3k1q h HIS 956 Ca -0.04 0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.14 3k1q h HIS 956 Cb 1.06 -0.31 -0.00 0.00 1.06 0.00 0.00 27.41 29.23 3k1q h HIS 956 CO 0.30 0.29 -0.17 0.82 0.86 0.00 0.00 177.93 180.04 3k1q h ILE 957 N 0.77 1.39 -0.37 2.45 2.04 -1.94 0.11 117.51 121.96 3k1q h ILE 957 Ca 0.53 -1.43 0.05 0.00 1.00 0.00 0.00 64.86 65.01 3k1q h ILE 957 Cb 0.81 2.10 -0.04 0.00 -0.74 0.00 0.00 36.82 38.94 3k1q h ILE 957 CO -0.30 0.41 0.11 -0.74 0.00 0.00 0.00 178.15 177.63 3k1q h HIS 958 N -0.16 0.20 -0.90 1.37 -0.00 -1.83 -1.57 115.15 112.26 3k1q h HIS 958 Ca 0.01 0.02 0.02 0.00 -0.00 0.00 0.00 60.37 60.42 3k1q h HIS 958 Cb 0.74 -0.04 -0.05 0.00 -0.00 0.00 0.00 27.41 28.06 3k1q h HIS 958 CO 0.10 0.07 0.59 0.00 -0.00 0.00 0.00 177.93 178.70 3k1q h ARG 959 N 0.26 1.16 -0.65 5.26 3.08 -0.37 -0.38 114.38 122.74 3k1q h ARG 959 Ca 0.17 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.15 3k1q h ARG 959 Cb 0.16 -0.26 -0.03 0.00 0.08 0.00 0.00 29.97 29.92 3k1q h ARG 959 CO -0.19 0.77 0.42 0.00 -1.07 0.00 0.00 179.97 179.90 3k1q h ALA 960 N 1.35 0.83 0.04 0.04 0.00 -0.48 -2.10 119.26 118.92 3k1q h ALA 960 Ca 0.34 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.22 3k1q h ALA 960 Cb -0.08 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.41 3k1q h ALA 960 CO -0.09 0.27 -0.15 1.25 0.00 0.00 0.00 179.25 180.52 3k1q h LEU 961 N 0.88 -0.43 -2.17 0.00 5.85 -0.41 -0.33 115.31 118.70 3k1q h LEU 961 Ca 0.24 0.06 0.01 0.00 0.84 0.00 0.00 57.88 59.03 3k1q h LEU 961 Cb -0.08 0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.12 3k1q h LEU 961 CO -0.05 -0.22 0.04 -0.61 -0.34 0.00 0.00 178.44 177.26 3k1q h GLN 962 N -0.27 0.00 -0.21 1.25 4.15 -0.78 0.09 115.11 119.34 3k1q h GLN 962 Ca 0.04 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.41 3k1q h GLN 962 Cb 0.32 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.00 3k1q h GLN 962 CO -0.12 0.00 -0.07 1.96 -1.93 0.00 0.00 178.83 178.67 3k1q h GLN 963 N 0.00 0.41 -0.86 1.69 1.08 -0.68 -0.66 115.11 116.10 3k1q h GLN 963 Ca 0.02 -0.17 0.07 0.00 -1.45 0.00 0.00 58.65 57.12 3k1q h GLN 963 Cb 0.10 -0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 27.45 3k1q h GLN 963 CO -0.00 0.68 0.53 0.28 -0.95 0.00 0.00 178.83 179.36 3k1q h VAL 964 N 0.12 1.02 -0.85 -0.54 2.07 -0.72 -1.13 116.25 116.22 3k1q h VAL 964 Ca 0.05 -0.33 0.02 0.00 0.82 0.00 0.00 66.70 67.27 3k1q h VAL 964 Cb 0.54 -0.01 -0.05 0.00 -1.52 0.00 0.00 31.29 30.25 3k1q h VAL 964 CO 0.02 0.17 0.56 -0.33 0.02 0.00 0.00 177.57 178.02 3k1q h GLU 965 N 0.95 1.08 0.04 1.57 5.08 -0.68 0.48 114.58 123.10 3k1q h GLU 965 Ca 0.38 -0.06 -0.15 0.00 -1.00 0.00 0.00 59.36 58.53 3k1q h GLU 965 Cb 0.20 -0.24 0.01 0.00 0.50 0.00 0.00 28.75 29.22 3k1q h GLU 965 CO -0.18 0.71 -0.60 0.66 -1.00 0.00 0.00 179.01 178.60 3k1q h SER 966 N 1.11 0.47 -0.77 1.42 4.64 -0.68 -2.61 113.55 117.12 3k1q h SER 966 Ca 0.33 -0.82 0.08 0.00 -0.47 0.00 0.00 61.79 60.91 3k1q h SER 966 Cb -0.06 -0.14 -0.07 0.00 -0.31 0.00 0.00 62.40 61.82 3k1q h SER 966 CO -0.09 1.23 0.44 0.74 -0.87 0.00 0.00 176.83 178.27 3k1q h THR 967 N -0.24 0.93 -1.00 2.95 2.02 -1.17 -2.50 112.91 113.88 3k1q h THR 967 Ca -0.09 -0.26 0.16 0.00 0.77 0.00 0.00 66.41 67.00 3k1q h THR 967 Cb 1.35 0.10 -0.10 0.00 -1.74 0.00 0.00 68.15 67.77 3k1q h THR 967 CO 0.12 0.14 0.62 0.15 0.37 0.00 0.00 175.52 176.92 3k1q h PHE 968 N 0.76 1.10 -0.55 3.16 3.57 0.04 -0.36 116.94 124.66 3k1q h PHE 968 Ca 0.36 0.03 0.16 0.00 3.53 0.00 0.00 57.97 62.06 3k1q h PHE 968 Cb 0.30 -0.34 -0.02 0.00 2.79 0.00 0.00 35.95 38.68 3k1q h PHE 968 CO -0.07 0.33 0.49 1.98 -2.23 0.00 0.00 178.31 178.81 3k1q h MET 969 N 0.86 0.00 0.00 1.11 4.05 -1.05 -2.42 114.93 117.48 3k1q h MET 969 Ca 0.54 0.00 -0.45 0.00 -0.28 0.00 0.00 59.70 59.52 3k1q h MET 969 Cb 0.72 0.00 -0.07 0.00 -0.80 0.00 0.00 31.60 31.46 3k1q h MET 969 CO -0.33 0.00 -2.52 0.00 0.23 0.00 0.00 176.91 174.29 3k1q n ALA 970 N -2.48 1.27 0.98 0.39 0.00 -0.87 -4.65 120.51 115.14 3k1q n ALA 970 Ca 0.11 -1.09 0.00 0.00 0.00 0.00 0.00 53.44 52.46 3k1q n ALA 970 Cb 0.71 0.11 0.01 0.00 0.00 0.00 0.00 19.45 20.28 3k1q n ALA 970 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3k1q n GLU 971 N -4.08 1.12 -0.35 0.00 -0.58 -0.20 -4.64 120.64 111.92 3k1q n GLU 971 Ca -0.53 -0.10 0.12 0.00 -0.42 0.00 0.00 57.16 56.24 3k1q n GLU 971 Cb 0.90 -1.51 0.31 0.00 -0.57 0.00 0.00 31.44 30.57 3k1q n GLU 971 CO 0.00 0.00 0.00 0.52 -0.48 0.00 0.00 177.13 177.17 3k1q h MET 972 N 0.12 0.77 0.00 3.49 2.86 -1.68 -1.69 114.93 118.81 3k1q h MET 972 Ca 0.00 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 3k1q h MET 972 Cb 0.53 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.01 3k1q h MET 972 CO 0.01 0.51 0.00 0.09 1.06 0.00 0.00 176.91 178.59 3k1q n ASN 973 N -4.74 0.03 0.26 1.22 3.02 -0.34 -1.43 115.26 113.28 3k1q n ASN 973 Ca 0.23 0.51 0.16 0.00 -0.03 0.00 0.00 54.58 55.45 3k1q n ASN 973 Cb 0.54 -0.51 0.61 0.00 -0.61 0.00 0.00 39.78 39.81 3k1q n ASN 973 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3k1q h LEU 974 N 0.00 0.00 -3.39 3.41 4.07 -1.58 0.22 115.31 118.04 3k1q h LEU 974 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3k1q h LEU 974 Cb 0.15 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.89 3k1q h LEU 974 CO 0.00 0.00 0.00 0.49 -1.08 0.00 0.00 178.44 177.85 3k1q n PHE 975 N -3.04 1.63 -1.76 1.13 3.01 -0.55 -3.36 117.46 114.52 3k1q n PHE 975 Ca 0.01 -0.74 -0.18 0.00 1.01 0.00 0.00 57.45 57.56 3k1q n PHE 975 Cb 0.33 -0.40 -0.06 0.00 -0.01 0.00 0.00 39.48 39.35 3k1q n PHE 975 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 3k1q n ASN 976 N 0.43 -4.86 -4.58 4.37 3.02 0.77 -4.97 115.26 109.44 3k1q n ASN 976 Ca 0.25 0.34 -0.35 0.00 -0.03 0.00 0.00 54.58 54.80 3k1q n ASN 976 Cb 1.04 -4.28 -0.11 0.00 -0.61 0.00 0.00 39.78 35.82 3k1q n ASN 976 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3k1q s VAL 977 N -2.62 4.57 0.29 2.41 1.01 -0.52 -3.74 120.40 121.81 3k1q s VAL 977 Ca 0.00 -0.11 0.09 0.00 0.00 0.00 0.00 61.98 61.96 3k1q s VAL 977 Cb 0.00 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 3k1q s VAL 977 CO 0.00 0.45 0.09 0.00 0.00 0.00 0.00 175.10 175.64 3k1q s ALA 978 N 0.56 3.38 -0.03 5.51 0.00 0.97 -1.20 121.76 130.95 3k1q s ALA 978 Ca 0.02 -1.67 0.04 0.00 0.00 0.00 0.00 51.96 50.35 3k1q s ALA 978 Cb -0.13 -0.87 -0.03 0.00 0.00 0.00 0.00 23.12 22.09 3k1q s ALA 978 CO 0.01 0.17 -0.13 1.03 0.00 0.00 0.00 175.76 176.84 3k1q s ARG 979 N -3.78 2.47 0.00 0.00 0.52 -1.26 -0.15 118.95 116.75 3k1q s ARG 979 Ca 0.34 -0.72 0.00 0.00 -0.52 0.00 0.00 55.73 54.83 3k1q s ARG 979 Cb -0.05 -2.38 0.00 0.00 0.52 0.00 0.00 34.95 33.03 3k1q s ARG 979 CO 0.22 0.61 0.00 0.41 0.02 0.00 0.00 175.30 176.56 3k1q n GLY 980 N 2.11 -1.20 3.62 -3.53 0.00 0.14 -3.79 105.19 102.53 3k1q n GLY 980 Ca -0.17 -2.12 -0.28 0.00 0.00 0.00 0.00 46.02 43.45 3k1q n GLY 980 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3k1q s ASN 981 N -4.00 4.58 -0.01 1.61 0.01 -1.26 -3.11 114.94 112.76 3k1q s ASN 981 Ca 0.00 -0.39 -0.17 0.00 -0.71 0.00 0.00 52.86 51.59 3k1q s ASN 981 Cb 0.00 -0.93 -0.06 0.00 0.41 0.00 0.00 41.25 40.68 3k1q s ASN 981 CO 0.00 0.14 0.48 -0.76 -1.51 0.00 0.00 177.10 175.45 3k1q s LEU 982 N -2.55 4.43 -0.17 0.60 1.43 -1.05 -1.79 118.68 119.58 3k1q s LEU 982 Ca 0.24 1.02 -0.02 0.00 -1.03 0.00 0.00 54.13 54.35 3k1q s LEU 982 Cb -0.10 -2.72 -0.01 0.00 0.03 0.00 0.00 46.19 43.38 3k1q s LEU 982 CO 0.16 0.21 -0.09 -0.47 0.23 0.00 0.00 176.35 176.39 3k1q s TYR 983 N -0.57 2.89 -0.48 0.29 6.14 -0.04 -0.06 117.35 125.52 3k1q s TYR 983 Ca 0.26 -0.75 -0.16 0.00 0.64 0.00 0.00 57.07 57.06 3k1q s TYR 983 Cb -0.17 -1.95 0.07 0.00 0.42 0.00 0.00 41.96 40.33 3k1q s TYR 983 CO 0.14 -0.33 0.43 -0.51 0.64 0.00 0.00 175.55 175.92 3k1q s LEU 984 N 0.79 5.51 -0.04 6.97 1.43 0.32 -2.36 118.68 131.30 3k1q s LEU 984 Ca -0.03 -1.26 0.03 0.00 -1.03 0.00 0.00 54.13 51.84 3k1q s LEU 984 Cb -0.15 -2.23 0.00 0.00 0.03 0.00 0.00 46.19 43.85 3k1q s LEU 984 CO 0.01 -0.68 -0.13 0.54 0.23 0.00 0.00 176.35 176.32 3k1q s VAL 985 N 1.80 1.12 -0.89 -1.59 0.11 0.66 -2.37 120.40 119.25 3k1q s VAL 985 Ca 0.06 -0.53 -0.19 0.00 -2.93 0.00 0.00 61.98 58.38 3k1q s VAL 985 Cb -0.23 -0.99 -0.23 0.00 -1.53 0.00 0.00 36.38 33.40 3k1q s VAL 985 CO 0.08 0.34 2.34 1.67 -3.33 0.00 0.00 175.10 176.20 3k1q n GLN 986 N 3.32 0.27 -3.92 1.54 -0.06 -1.26 -3.70 117.38 113.57 3k1q n GLN 986 Ca -0.19 -0.25 -0.35 0.00 -2.00 0.00 0.00 57.00 54.21 3k1q n GLN 986 Cb 0.53 -2.13 -0.14 0.00 -4.06 0.00 0.00 30.24 24.44 3k1q n GLN 986 CO 0.00 0.00 0.00 0.95 -0.20 0.00 0.00 177.06 177.81 3k1q s THR 987 N 7.09 2.88 -0.97 1.69 -4.23 -0.54 -5.03 115.64 116.53 3k1q s THR 987 Ca 1.18 -1.48 -0.04 0.00 -1.18 0.00 0.00 61.69 60.17 3k1q s THR 987 Cb -0.63 -2.69 0.24 0.00 1.34 0.00 0.00 72.50 70.76 3k1q s THR 987 CO 0.38 -0.14 0.90 0.00 -0.54 0.00 0.00 174.62 175.22 3k1q s ALA 988 N 1.22 4.43 0.33 3.99 0.00 -1.26 -1.33 121.76 129.14 3k1q s ALA 988 Ca -0.05 -3.85 0.03 0.00 0.00 0.00 0.00 51.96 48.10 3k1q s ALA 988 Cb -0.20 -3.09 -0.06 0.00 0.00 0.00 0.00 23.12 19.77 3k1q s ALA 988 CO -0.02 -2.17 0.07 -0.08 0.00 0.00 0.00 175.76 173.57 3k1q s THR 989 N -1.33 1.04 -0.34 0.00 -1.32 0.09 -4.92 115.64 108.85 3k1q s THR 989 Ca 0.29 -2.00 0.02 0.00 -1.21 0.00 0.00 61.69 58.79 3k1q s THR 989 Cb -0.08 -2.72 0.10 0.00 -1.51 0.00 0.00 72.50 68.29 3k1q s THR 989 CO -0.11 0.00 0.09 0.20 -2.21 0.00 0.00 174.62 172.59 3k1q s ASN 990 N -3.48 4.37 0.00 8.08 0.02 -1.26 -0.96 114.94 121.71 3k1q s ASN 990 Ca 0.35 -2.01 0.00 0.00 -1.02 0.00 0.00 52.86 50.18 3k1q s ASN 990 Cb 0.08 -1.27 0.00 0.00 0.02 0.00 0.00 41.25 40.08 3k1q s ASN 990 CO 0.15 -0.38 0.00 0.61 0.02 0.00 0.00 177.10 177.50 3k1q n GLY 991 N 4.40 3.74 2.65 0.66 0.00 -1.26 -5.05 105.19 110.32 3k1q n GLY 991 Ca 0.02 -1.42 -0.41 0.00 0.00 0.00 0.00 46.02 44.21 3k1q n GLY 991 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3k1q n ASN 992 N 0.00 7.18 -4.56 1.61 6.94 -1.26 -4.95 115.26 120.21 3k1q n ASN 992 Ca 0.00 -3.31 -0.24 0.00 -0.02 0.00 0.00 54.58 51.02 3k1q n ASN 992 Cb 0.00 -1.32 -0.05 0.00 -2.36 0.00 0.00 39.78 36.04 3k1q n ASN 992 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 3k1q s TRP 993 N -1.87 1.60 -0.14 -2.53 -0.00 -1.26 -4.94 118.94 109.79 3k1q s TRP 993 Ca 0.45 1.04 -0.32 0.00 -0.00 0.00 0.00 56.10 57.27 3k1q s TRP 993 Cb 0.16 -3.87 -0.09 0.00 -0.00 0.00 0.00 33.47 29.67 3k1q s TRP 993 CO -0.06 -1.74 2.06 0.45 -0.00 0.00 0.00 176.95 177.65 3k1q n SER 994 N 15.27 3.34 -0.12 -2.66 2.88 -1.26 -4.88 113.62 126.19 3k1q n SER 994 Ca 0.41 0.64 0.20 0.00 -1.33 0.00 0.00 58.87 58.79 3k1q n SER 994 Cb 0.46 -1.44 0.61 0.00 -0.75 0.00 0.00 64.21 63.09 3k1q n SER 994 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3k1q h PRO 995 N 11.78 0.19 -0.02 -1.46 0.11 -1.87 0.28 132.00 141.01 3k1q h PRO 995 Ca -0.43 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 65.53 3k1q h PRO 995 Cb 1.26 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 3k1q h PRO 995 CO 0.96 0.12 -0.61 0.52 -0.21 0.00 0.00 178.00 178.78 3k1q h MET 996 N 0.19 0.07 -3.08 1.05 2.86 -1.89 -3.38 114.93 110.74 3k1q h MET 996 Ca 0.35 -0.05 -0.62 0.00 -2.06 0.00 0.00 59.70 57.32 3k1q h MET 996 Cb 1.11 0.01 -0.40 0.00 0.06 0.00 0.00 31.60 32.38 3k1q h MET 996 CO -0.07 0.66 -0.70 0.00 1.06 0.00 0.00 176.91 177.87 3k1q s ALA 997 N -3.66 2.59 -0.22 6.32 0.00 0.09 -0.33 121.76 126.56 3k1q s ALA 997 Ca -0.02 -2.89 -0.16 0.00 0.00 0.00 0.00 51.96 48.90 3k1q s ALA 997 Cb 0.12 -1.98 -0.04 0.00 0.00 0.00 0.00 23.12 21.23 3k1q s ALA 997 CO 0.77 -2.05 0.39 -1.25 0.00 0.00 0.00 175.76 173.62 3k1q s PRO 998 N 0.00 4.14 -1.39 0.00 0.05 -1.24 -4.46 135.00 132.11 3k1q s PRO 998 Ca 0.19 0.16 -0.09 0.00 0.05 0.00 0.00 61.00 61.31 3k1q s PRO 998 Cb -0.22 -3.56 -0.06 0.00 0.05 0.00 0.00 34.50 30.71 3k1q s PRO 998 CO -0.02 -0.09 2.91 0.28 0.05 0.00 0.00 177.00 180.13 3k1q n VAL 999 N 4.49 4.37 0.00 -0.36 0.31 -1.26 -4.43 118.33 121.45 3k1q n VAL 999 Ca -0.08 -2.85 0.00 0.00 -0.01 0.00 0.00 64.34 61.40 3k1q n VAL 999 Cb 0.51 -2.43 0.00 0.00 -0.91 0.00 0.00 33.84 31.01 3k1q n VAL 999 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3k1q n ALA 1000N 3.03 0.00 0.56 3.52 0.00 -1.26 -4.69 120.51 121.67 3k1q n ALA 1000Ca 0.72 0.00 0.11 0.00 0.00 0.00 0.00 53.44 54.26 3k1q n ALA 1000Cb 0.30 0.00 0.44 0.00 0.00 0.00 0.00 19.45 20.19 3k1q n ALA 1000CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k1q n ALA 1001N 0.40 1.87 -0.73 0.00 0.00 -1.26 -4.81 120.51 115.98 3k1q n ALA 1001Ca 0.00 -0.01 -0.32 0.00 0.00 0.00 0.00 53.44 53.11 3k1q n ALA 1001Cb 0.00 -1.37 0.15 0.00 0.00 0.00 0.00 19.45 18.23 3k1q n ALA 1001CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3k1q n PRO 1002N -1.89 -0.58 -1.53 0.00 -0.02 -1.26 -4.75 135.00 124.96 3k1q n PRO 1002Ca 0.04 -0.12 -0.40 0.00 -2.02 0.00 0.00 63.50 60.99 3k1q n PRO 1002Cb 0.26 -2.00 -0.04 0.00 -0.02 0.00 0.00 33.50 31.69 3k1q n PRO 1002CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3k1q n PRO 1003N -2.63 1.91 0.00 0.52 -0.04 -1.26 -4.66 135.00 128.84 3k1q n PRO 1003Ca 0.07 -2.21 0.07 0.00 -0.04 0.00 0.00 63.50 61.39 3k1q n PRO 1003Cb 0.54 -3.18 0.39 0.00 -0.04 0.00 0.00 33.50 31.21 3k1q n PRO 1003CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3k1q n PHE 1004N 8.51 0.00 -4.58 0.54 3.01 -1.26 -4.88 117.46 118.80 3k1q n PHE 1004Ca 0.49 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.68 3k1q n PHE 1004Cb 0.42 -0.13 -0.11 0.00 -0.01 0.00 0.00 39.48 39.65 3k1q n PHE 1004CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 3k1q s VAL 1005N -2.25 2.08 0.05 -4.37 -7.23 -1.26 -5.07 120.40 102.35 3k1q s VAL 1005Ca 0.18 -2.04 -0.25 0.00 -1.81 0.00 0.00 61.98 58.06 3k1q s VAL 1005Cb 0.09 -2.90 -0.17 0.00 0.56 0.00 0.00 36.38 33.96 3k1q s VAL 1005CO 0.18 -0.06 1.55 0.03 -0.31 0.00 0.00 175.10 176.49 3k1q h ARG 1006N 1.82 -0.09 -0.76 4.82 2.47 -1.92 -1.67 114.38 119.05 3k1q h ARG 1006Ca -0.43 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.29 3k1q h ARG 1006Cb 1.24 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.58 3k1q h ARG 1006CO 0.78 0.10 0.00 0.41 0.56 0.00 0.00 179.97 181.81 3k1q n GLY 1007N -0.66 0.50 3.80 0.04 0.00 -1.26 -4.81 105.19 102.80 3k1q n GLY 1007Ca -0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 3k1q n GLY 1007CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3k1q s GLY 1008N -0.14 2.70 -0.35 -0.02 0.00 -0.63 -5.03 107.32 103.85 3k1q s GLY 1008Ca 0.00 0.23 -0.28 0.00 0.00 0.00 0.00 44.72 44.66 3k1q s GLY 1008CO 0.00 0.63 1.71 -4.14 0.00 0.00 0.00 173.10 171.30 3k1q s PRO 1009N -1.75 3.38 -1.30 2.90 0.02 -1.26 -3.09 135.00 133.91 3k1q s PRO 1009Ca 0.41 1.31 -0.07 0.00 0.02 0.00 0.00 61.00 62.67 3k1q s PRO 1009Cb -0.18 -4.16 0.01 0.00 0.02 0.00 0.00 34.50 30.18 3k1q s PRO 1009CO 0.22 -1.80 0.88 -1.71 -0.33 0.00 0.00 177.00 174.26 3k1q n ASN 1010N 9.98 -5.88 -4.07 2.53 5.15 -1.26 -4.95 115.26 116.76 3k1q n ASN 1010Ca 0.21 -0.40 -0.35 0.00 -0.60 0.00 0.00 54.58 53.45 3k1q n ASN 1010Cb 0.47 -4.58 -0.08 0.00 -0.53 0.00 0.00 39.78 35.06 3k1q n ASN 1010CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3k1q s VAL 1011N -3.23 3.93 -0.12 3.44 1.01 -1.18 -3.46 120.40 120.80 3k1q s VAL 1011Ca 0.43 -3.74 -0.07 0.00 0.00 0.00 0.00 61.98 58.60 3k1q s VAL 1011Cb -0.19 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 3k1q s VAL 1011CO 0.54 -1.02 0.14 -0.13 0.00 0.00 0.00 175.10 174.63 3k1q s ARG 1012N -1.08 3.45 -0.03 2.72 1.81 0.57 -4.77 118.95 121.63 3k1q s ARG 1012Ca 0.25 -0.12 -0.10 0.00 -1.72 0.00 0.00 55.73 54.04 3k1q s ARG 1012Cb -0.10 -3.19 -0.05 0.00 -0.45 0.00 0.00 34.95 31.16 3k1q s ARG 1012CO -0.11 0.78 0.28 0.14 -0.68 0.00 0.00 175.30 175.71 3k1q s VAL 1013N -1.03 5.26 -0.34 3.52 -7.23 -1.26 0.18 120.40 119.50 3k1q s VAL 1013Ca 0.15 0.42 -0.01 0.00 -1.81 0.00 0.00 61.98 60.73 3k1q s VAL 1013Cb -0.12 -3.57 0.13 0.00 0.56 0.00 0.00 36.38 33.38 3k1q s VAL 1013CO 0.04 0.51 0.19 -0.69 -0.31 0.00 0.00 175.10 174.84 3k1q s VAL 1014N -1.15 0.21 -0.65 1.32 1.01 0.71 -1.33 120.40 120.53 3k1q s VAL 1014Ca 0.23 -1.56 0.05 0.00 0.00 0.00 0.00 61.98 60.69 3k1q s VAL 1014Cb -0.14 -1.17 0.16 0.00 0.00 0.00 0.00 36.38 35.23 3k1q s VAL 1014CO 0.12 -0.92 0.42 -0.83 0.00 0.00 0.00 175.10 173.89 3k1q s GLY 1015N 1.25 2.78 0.08 4.51 0.00 -1.26 -4.22 107.32 110.46 3k1q s GLY 1015Ca 0.16 -3.66 0.02 0.00 0.00 0.00 0.00 44.72 41.25 3k1q s GLY 1015CO -0.08 1.06 -0.08 0.50 0.00 0.00 0.00 173.10 174.50 3k1q s ARG 1016N -1.07 0.73 -0.38 2.90 0.52 -1.26 -4.91 118.95 115.48 3k1q s ARG 1016Ca 0.22 -1.09 -0.11 0.00 -0.52 0.00 0.00 55.73 54.22 3k1q s ARG 1016Cb -0.12 -0.31 0.03 0.00 0.52 0.00 0.00 34.95 35.07 3k1q s ARG 1016CO -0.11 0.03 0.22 -0.06 0.02 0.00 0.00 175.30 175.40 3k1q s PHE 1017N -2.57 3.25 0.00 -0.53 0.40 -1.26 -4.72 117.98 112.54 3k1q s PHE 1017Ca 0.03 -0.94 0.00 0.00 -0.60 0.00 0.00 56.93 55.42 3k1q s PHE 1017Cb -0.02 -2.47 0.00 0.00 0.51 0.00 0.00 43.02 41.04 3k1q s PHE 1017CO -0.02 -0.65 0.00 0.41 0.70 0.00 0.00 175.22 175.66 3k1q n GLY 1018N 5.02 2.59 3.66 4.36 0.00 -1.26 -4.95 105.19 114.61 3k1q n GLY 1018Ca -0.12 -0.61 -0.50 0.00 0.00 0.00 0.00 46.02 44.80 3k1q n GLY 1018CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3k1q n THR 1019N 0.00 0.20 -3.78 2.61 -2.24 -1.26 -5.01 114.28 104.80 3k1q n THR 1019Ca 0.00 -0.04 -0.13 0.00 -2.27 0.00 0.00 64.05 61.61 3k1q n THR 1019Cb 0.00 -1.43 -0.09 0.00 -2.10 0.00 0.00 70.33 66.71 3k1q n THR 1019CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 3k1q s ILE 1020N 2.04 0.06 -0.29 2.28 1.10 -1.26 -4.39 121.20 120.73 3k1q s ILE 1020Ca 0.86 -0.50 -0.05 0.00 -0.51 0.00 0.00 60.65 60.46 3k1q s ILE 1020Cb -0.80 -0.58 0.02 0.00 0.15 0.00 0.00 42.46 41.25 3k1q s ILE 1020CO 0.47 -0.27 0.04 -0.69 -2.11 0.00 0.00 174.94 172.38 3k1q s VAL 1021N -1.31 3.55 0.00 4.00 1.01 0.84 -4.95 120.40 123.54 3k1q s VAL 1021Ca -0.14 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 60.90 3k1q s VAL 1021Cb -0.06 -2.88 0.00 0.00 0.00 0.00 0.00 36.38 33.44 3k1q s VAL 1021CO 0.04 0.04 0.00 -0.81 0.00 0.00 0.00 175.10 174.36 3k1q n PRO 1022N 4.78 2.30 -3.61 2.72 -0.04 -1.26 -0.91 135.00 138.98 3k1q n PRO 1022Ca -0.14 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 62.92 3k1q n PRO 1022Cb 0.47 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.84 3k1q n PRO 1022CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 3k1q s ARG 1023N 0.00 2.43 0.16 0.54 3.00 -1.26 -3.59 118.95 120.22 3k1q s ARG 1023Ca 0.00 -1.89 -0.00 0.00 -1.00 0.00 0.00 55.73 52.84 3k1q s ARG 1023Cb 0.00 -3.86 -0.04 0.00 0.00 0.00 0.00 34.95 31.05 3k1q s ARG 1023CO 0.00 -1.17 0.33 -1.25 0.00 0.00 0.00 175.30 173.21 3k1q s PRO 1024N 1.11 3.49 -0.83 5.12 0.04 -1.26 -4.83 135.00 137.85 3k1q s PRO 1024Ca 0.08 -0.41 -0.10 0.00 0.04 0.00 0.00 61.00 60.61 3k1q s PRO 1024Cb -0.24 -2.91 0.10 0.00 0.04 0.00 0.00 34.50 31.50 3k1q s PRO 1024CO -0.02 0.47 0.26 0.27 0.04 0.00 0.00 177.00 178.02 3k1q n ASN 1025N -0.42 -1.22 0.00 6.66 6.94 -1.26 -1.16 115.26 124.81 3k1q n ASN 1025Ca -0.05 -0.34 0.00 0.00 -0.02 0.00 0.00 54.58 54.17 3k1q n ASN 1025Cb 0.53 -1.12 0.00 0.00 -2.36 0.00 0.00 39.78 36.84 3k1q n ASN 1025CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3k1q n GLY 1026N -0.71 2.87 3.70 4.83 0.00 -1.26 -5.01 105.19 109.62 3k1q n GLY 1026Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 3k1q n GLY 1026CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3k1q n LEU 1027N 0.00 5.39 -4.77 0.99 4.77 -0.31 -5.00 117.00 118.08 3k1q n LEU 1027Ca 0.00 0.85 -0.40 0.00 -0.03 0.00 0.00 56.01 56.43 3k1q n LEU 1027Cb 0.00 -1.52 0.01 0.00 -2.33 0.00 0.00 43.42 39.58 3k1q n LEU 1027CO 0.00 -1.13 1.09 1.21 -1.33 0.00 0.00 177.39 177.22 3k1q n GLU 1028N -1.53 2.37 -1.67 3.23 2.13 -1.26 -4.42 120.64 119.49 3k1q n GLU 1028Ca 0.14 0.84 -0.42 0.00 0.66 0.00 0.00 57.16 58.39 3k1q n GLU 1028Cb 0.47 -2.64 -0.03 0.00 0.27 0.00 0.00 31.44 29.51 3k1q n GLU 1028CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 3k1q s PRO 1029N -2.34 4.14 0.11 5.31 0.02 -1.24 -4.85 135.00 136.15 3k1q s PRO 1029Ca 0.59 2.62 0.10 0.00 0.02 0.00 0.00 61.00 64.33 3k1q s PRO 1029Cb -0.46 -4.11 -0.04 0.00 0.02 0.00 0.00 34.50 29.91 3k1q s PRO 1029CO 0.59 -0.95 -0.24 -0.65 -0.33 0.00 0.00 177.00 175.43 3k1q s GLN 1030N 4.30 1.59 0.29 5.54 -0.21 -0.09 -3.77 119.66 127.31 3k1q s GLN 1030Ca 0.88 -1.25 -0.08 0.00 0.02 0.00 0.00 55.36 54.93 3k1q s GLN 1030Cb -0.43 -1.99 -0.06 0.00 1.00 0.00 0.00 33.01 31.53 3k1q s GLN 1030CO 0.41 0.47 0.60 -0.51 -2.12 0.00 0.00 175.29 174.14 3k1q s LEU 1031N -1.95 4.06 -0.49 2.90 1.43 -0.37 -0.11 118.68 124.15 3k1q s LEU 1031Ca 0.15 0.89 -0.23 0.00 -1.03 0.00 0.00 54.13 53.91 3k1q s LEU 1031Cb -0.10 -3.70 0.04 0.00 0.03 0.00 0.00 46.19 42.46 3k1q s LEU 1031CO 0.07 -0.18 0.81 -0.63 0.23 0.00 0.00 176.35 176.65 3k1q s ILE 1032N -2.02 4.60 1.04 -0.59 1.09 -1.26 -0.72 121.20 123.34 3k1q s ILE 1032Ca 0.47 0.22 -0.12 0.00 -1.10 0.00 0.00 60.65 60.12 3k1q s ILE 1032Cb -0.11 -4.39 0.21 0.00 -1.06 0.00 0.00 42.46 37.11 3k1q s ILE 1032CO 0.26 -0.87 1.08 -1.81 -0.10 0.00 0.00 174.94 173.49 3k1q s ASP 1033N 2.47 2.03 -0.69 3.58 1.01 0.09 -4.83 116.67 120.33 3k1q s ASP 1033Ca 0.27 1.71 -0.26 0.00 0.71 0.00 0.00 52.55 54.98 3k1q s ASP 1033Cb -0.13 -2.35 -0.01 0.00 1.01 0.00 0.00 42.92 41.43 3k1q s ASP 1033CO 0.20 -3.58 1.73 -1.81 0.21 0.00 0.00 175.17 171.91 3k1q s ASP 1034N -2.75 5.50 0.00 0.27 1.01 -0.44 -1.59 116.67 118.68 3k1q s ASP 1034Ca 0.67 -0.03 0.00 0.00 0.71 0.00 0.00 52.55 53.90 3k1q s ASP 1034Cb -0.23 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.16 3k1q s ASP 1034CO 0.61 -2.27 0.00 0.61 0.21 0.00 0.00 175.17 174.33 3k1q n GLY 1035N 5.82 1.87 4.25 0.21 0.00 -1.26 -4.94 105.19 111.13 3k1q n GLY 1035Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 3k1q n GLY 1035CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3k1q n ASN 1036N 0.00 0.00 -4.58 1.61 4.13 -0.62 -4.92 115.26 110.88 3k1q n ASN 1036Ca 0.00 0.00 -0.60 0.00 1.68 0.00 0.00 54.58 55.66 3k1q n ASN 1036Cb 0.00 0.00 -0.09 0.00 -1.54 0.00 0.00 39.78 38.15 3k1q n ASN 1036CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 3k1q n VAL 1037N 0.00 0.14 -2.45 2.41 0.24 -1.26 -4.59 118.33 112.83 3k1q n VAL 1037Ca 0.00 -0.06 -0.42 0.00 -2.04 0.00 0.00 64.34 61.81 3k1q n VAL 1037Cb 0.00 -0.96 -0.03 0.00 -1.47 0.00 0.00 33.84 31.39 3k1q n VAL 1037CO 0.00 0.00 0.00 -2.84 -2.14 0.00 0.00 176.83 171.85 3k1q s PRO 1038N 4.41 4.36 -0.06 7.34 0.02 -1.26 -0.73 135.00 149.08 3k1q s PRO 1038Ca 1.07 1.69 0.00 0.00 0.02 0.00 0.00 61.00 63.78 3k1q s PRO 1038Cb -1.24 -3.54 0.02 0.00 0.02 0.00 0.00 34.50 29.76 3k1q s PRO 1038CO 0.67 -0.44 -0.04 0.50 -0.33 0.00 0.00 177.00 177.37 3k1q s ARG 1039N 2.14 0.86 0.06 5.54 3.52 0.10 -4.89 118.95 126.28 3k1q s ARG 1039Ca 0.56 -0.08 -0.03 0.00 -0.13 0.00 0.00 55.73 56.06 3k1q s ARG 1039Cb -0.25 -0.95 -0.02 0.00 -1.56 0.00 0.00 34.95 32.17 3k1q s ARG 1039CO 0.23 -0.15 0.01 -0.25 -0.81 0.00 0.00 175.30 174.33 3k1q n ASP 1040N 4.38 -0.40 -1.22 -2.12 9.92 -1.26 -1.24 116.55 124.61 3k1q n ASP 1040Ca -0.19 0.11 0.00 0.00 -0.53 0.00 0.00 54.79 54.17 3k1q n ASP 1040Cb 0.51 -0.12 0.00 0.00 -0.64 0.00 0.00 41.12 40.87 3k1q n ASP 1040CO 0.00 0.00 0.00 2.30 0.13 0.00 0.00 177.20 179.63 3k1q n ILE 1041N -0.15 0.64 -4.77 0.53 -6.64 -1.25 -4.59 119.36 103.13 3k1q n ILE 1041Ca 0.01 -0.07 -0.25 0.00 -1.77 0.00 0.00 62.75 60.68 3k1q n ILE 1041Cb 0.05 -0.89 -0.16 0.00 -1.44 0.00 0.00 39.64 37.21 3k1q n ILE 1041CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3k1q s ALA 1042N 0.66 1.40 0.00 -1.28 0.00 -1.26 -4.74 121.76 116.53 3k1q s ALA 1042Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.30 3k1q s ALA 1042Cb 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 23.12 22.70 3k1q s ALA 1042CO 0.00 0.29 0.00 0.41 0.00 0.00 0.00 175.76 176.46 3k1q n GLY 1043N 2.97 0.05 3.16 0.00 0.00 -1.21 -4.99 105.19 105.17 3k1q n GLY 1043Ca -0.17 -1.09 -0.39 0.00 0.00 0.00 0.00 46.02 44.38 3k1q n GLY 1043CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3k1q s ASP 1044N -4.00 5.52 -0.27 1.61 1.01 -1.22 0.43 116.67 119.75 3k1q s ASP 1044Ca 0.00 -2.34 -0.13 0.00 0.71 0.00 0.00 52.55 50.80 3k1q s ASP 1044Cb 0.00 -1.93 -0.04 0.00 1.01 0.00 0.00 42.92 41.96 3k1q s ASP 1044CO 0.00 -0.53 0.27 0.26 0.21 0.00 0.00 175.17 175.37 3k1q s TRP 1045N 0.71 3.24 -0.23 4.23 0.51 -1.12 -0.31 118.94 125.96 3k1q s TRP 1045Ca 0.11 0.25 -0.09 0.00 -2.12 0.00 0.00 56.10 54.25 3k1q s TRP 1045Cb -0.22 -2.46 -0.04 0.00 -0.81 0.00 0.00 33.47 29.94 3k1q s TRP 1045CO -0.03 -0.18 0.13 0.08 -0.51 0.00 0.00 176.95 176.44 3k1q s VAL 1046N 1.86 5.07 -0.08 4.03 1.01 0.13 -0.13 120.40 132.28 3k1q s VAL 1046Ca 0.10 0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.17 3k1q s VAL 1046Cb -0.16 -3.35 0.02 0.00 0.00 0.00 0.00 36.38 32.89 3k1q s VAL 1046CO 0.10 0.36 -0.09 -0.31 0.00 0.00 0.00 175.10 175.16 3k1q s TYR 1047N 1.05 1.37 0.09 5.22 2.02 -0.04 -0.21 117.35 126.86 3k1q s TYR 1047Ca 0.06 -0.58 -0.31 0.00 -0.37 0.00 0.00 57.07 55.88 3k1q s TYR 1047Cb -0.14 -1.09 -0.09 0.00 -0.40 0.00 0.00 41.96 40.25 3k1q s TYR 1047CO 0.04 -0.37 1.69 -2.14 -1.57 0.00 0.00 175.55 173.20 3k1q s PRO 1048N 1.16 4.18 0.00 -1.71 0.02 -1.26 -0.96 135.00 136.44 3k1q s PRO 1048Ca -0.05 2.40 0.00 0.00 0.02 0.00 0.00 61.00 63.36 3k1q s PRO 1048Cb -0.14 -3.58 0.00 0.00 0.02 0.00 0.00 34.50 30.80 3k1q s PRO 1048CO -0.02 -0.75 0.16 -1.13 -0.33 0.00 0.00 177.00 174.93 3k1q n SER 1049N 5.54 0.00 -0.35 2.53 3.41 -0.32 0.30 113.62 124.73 3k1q n SER 1049Ca 0.16 0.16 0.27 0.00 -0.26 0.00 0.00 58.87 59.21 3k1q n SER 1049Cb 0.40 -0.08 0.53 0.00 -0.26 0.00 0.00 64.21 64.80 3k1q n SER 1049CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 3k1q h ASP 1050N 0.00 0.43 0.44 4.04 2.03 -1.94 0.16 116.42 121.59 3k1q h ASP 1050Ca 0.00 0.20 -0.02 0.00 -0.73 0.00 0.00 57.03 56.48 3k1q h ASP 1050Cb 0.00 0.16 -0.00 0.00 -0.83 0.00 0.00 39.33 38.66 3k1q h ASP 1050CO 0.00 -0.20 -0.26 0.58 -1.03 0.00 0.00 179.24 178.33 3k1q h VAL 1051N 0.22 0.47 -0.38 4.15 2.07 -0.55 -1.26 116.25 120.97 3k1q h VAL 1051Ca 0.77 0.00 0.05 0.00 0.82 0.00 0.00 66.70 68.33 3k1q h VAL 1051Cb 1.92 0.47 -0.08 0.00 -1.52 0.00 0.00 31.29 32.08 3k1q h VAL 1051CO -0.61 0.00 -0.54 0.25 0.02 0.00 0.00 177.57 176.70 3k1q h LEU 1052N -0.66 -1.79 -0.85 2.57 5.85 -0.95 -2.98 115.31 116.51 3k1q h LEU 1052Ca -0.05 0.23 0.17 0.00 0.84 0.00 0.00 57.88 59.07 3k1q h LEU 1052Cb 0.53 0.73 -0.16 0.00 0.37 0.00 0.00 40.66 42.13 3k1q h LEU 1052CO 0.06 -0.39 -0.24 1.56 -0.34 0.00 0.00 178.44 179.09 3k1q h GLN 1053N -0.39 -0.01 0.00 1.25 4.20 -0.50 -0.37 115.11 119.28 3k1q h GLN 1053Ca 0.07 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.78 3k1q h GLN 1053Cb 0.57 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.36 3k1q h GLN 1053CO -0.57 -0.01 0.00 -0.39 -0.67 0.00 0.00 178.83 177.20 3k1q h VAL 1054N -0.01 0.00 -0.43 -0.54 -1.51 -1.07 -2.48 116.25 110.20 3k1q h VAL 1054Ca 0.39 -0.22 -0.24 0.00 -1.23 0.00 0.00 66.70 65.40 3k1q h VAL 1054Cb 0.62 1.09 -0.37 0.00 -2.13 0.00 0.00 31.29 30.50 3k1q h VAL 1054CO -0.88 0.00 -1.04 -1.20 -1.23 0.00 0.00 177.57 173.22 3k1q n SER 1055N -2.81 1.23 0.01 4.19 7.64 -0.21 -4.96 113.62 118.71 3k1q n SER 1055Ca -0.01 -2.10 -0.14 0.00 1.01 0.00 0.00 58.87 57.64 3k1q n SER 1055Cb 0.17 -0.35 -0.08 0.00 -1.01 0.00 0.00 64.21 62.94 3k1q n SER 1055CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 3k1q h VAL 1056N 5.20 0.08 -0.97 0.44 -1.51 -1.47 -2.94 116.25 115.08 3k1q h VAL 1056Ca -0.17 0.00 0.26 0.00 -1.23 0.00 0.00 66.70 65.56 3k1q h VAL 1056Cb 1.27 0.08 -0.06 0.00 -2.13 0.00 0.00 31.29 30.44 3k1q h VAL 1056CO 0.17 0.00 0.66 0.00 -1.23 0.00 0.00 177.57 177.17 3k1q h ALA 1057N -0.09 2.56 -0.67 5.19 0.00 -1.90 0.11 119.26 124.46 3k1q h ALA 1057Ca 0.05 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3k1q h ALA 1057Cb 0.66 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 3k1q h ALA 1057CO -0.40 -0.87 0.18 0.28 0.00 0.00 0.00 179.25 178.44 3k1q h VAL 1058N 0.21 1.26 -0.09 0.00 2.07 -1.93 -1.49 116.25 116.29 3k1q h VAL 1058Ca 0.50 -0.92 -0.03 0.00 0.82 0.00 0.00 66.70 67.07 3k1q h VAL 1058Cb 1.58 0.58 -0.00 0.00 -1.52 0.00 0.00 31.29 31.93 3k1q h VAL 1058CO -0.12 0.35 -0.06 -0.26 0.02 0.00 0.00 177.57 177.50 3k1q h PHE 1059N 0.98 0.23 -0.88 1.57 0.04 -0.93 0.57 116.94 118.52 3k1q h PHE 1059Ca 0.21 -0.06 0.09 0.00 2.80 0.00 0.00 57.97 61.01 3k1q h PHE 1059Cb 0.34 -0.05 -0.06 0.00 2.20 0.00 0.00 35.95 38.38 3k1q h PHE 1059CO 0.03 0.59 0.57 -0.09 -0.60 0.00 0.00 178.31 178.80 3k1q h ARG 1060N -0.20 0.87 0.06 1.51 1.12 -1.36 0.42 114.38 116.81 3k1q h ARG 1060Ca 0.02 -0.05 -0.00 0.00 -1.11 0.00 0.00 59.98 58.83 3k1q h ARG 1060Cb 0.54 -0.20 0.00 0.00 -0.01 0.00 0.00 29.97 30.30 3k1q h ARG 1060CO 0.02 0.58 -0.03 0.22 -3.11 0.00 0.00 179.97 177.64 3k1q h ASP 1061N 0.90 -0.07 0.22 -3.80 -0.00 -0.67 -3.34 116.42 109.65 3k1q h ASP 1061Ca 0.40 -0.56 -0.35 0.00 -0.00 0.00 0.00 57.03 56.53 3k1q h ASP 1061Cb 0.36 0.02 -0.04 0.00 -0.00 0.00 0.00 39.33 39.67 3k1q h ASP 1061CO -0.16 0.60 -2.00 -1.22 -0.00 0.00 0.00 179.24 176.46 3k1q n TYR 1062N -4.80 0.93 -0.10 0.28 4.02 0.19 -4.56 117.16 113.12 3k1q n TYR 1062Ca -0.08 0.24 -0.22 0.00 -0.01 0.00 0.00 57.90 57.83 3k1q n TYR 1062Cb 0.31 -1.14 -0.12 0.00 -0.02 0.00 0.00 39.34 38.37 3k1q n TYR 1062CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18 3k1q n VAL 1063N -3.26 1.54 -0.27 -0.72 0.24 0.13 -4.46 118.33 111.54 3k1q n VAL 1063Ca -0.29 -0.07 0.01 0.00 -2.04 0.00 0.00 64.34 61.95 3k1q n VAL 1063Cb 1.05 -2.02 0.05 0.00 -1.47 0.00 0.00 33.84 31.45 3k1q n VAL 1063CO 0.00 0.00 0.00 1.87 -2.14 0.00 0.00 176.83 176.56 3k1q n TRP 1064N -4.39 0.10 -0.29 6.34 -0.00 -0.33 -0.80 117.44 118.07 3k1q n TRP 1064Ca -0.33 0.88 -0.04 0.00 -0.00 0.00 0.00 57.50 58.00 3k1q n TRP 1064Cb 0.71 -0.81 -0.02 0.00 -0.00 0.00 0.00 31.31 31.19 3k1q n TRP 1064CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 177.69 175.39 3k1q n PRO 1065N -5.09 -0.23 0.26 5.87 -0.02 -1.26 -0.88 135.00 133.64 3k1q n PRO 1065Ca 0.09 1.09 0.13 0.00 -2.02 0.00 0.00 63.50 62.79 3k1q n PRO 1065Cb 0.31 -1.61 0.68 0.00 -0.02 0.00 0.00 33.50 32.87 3k1q n PRO 1065CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 3k1q h MET 1066N 0.00 0.00 0.30 -0.52 2.86 -1.21 0.66 114.93 117.02 3k1q h MET 1066Ca 0.19 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.81 3k1q h MET 1066Cb 0.37 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.03 3k1q h MET 1066CO -0.69 0.13 -0.14 0.28 1.06 0.00 0.00 176.91 177.54 3k1q h VAL 1067N 0.00 0.72 -0.47 -2.22 2.07 -0.34 0.11 116.25 116.11 3k1q h VAL 1067Ca -0.00 -0.55 -0.04 0.00 0.82 0.00 0.00 66.70 66.92 3k1q h VAL 1067Cb 0.45 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 3k1q h VAL 1067CO 0.02 0.11 0.12 0.50 0.02 0.00 0.00 177.57 178.34 3k1q h LYS 1068N -0.70 0.75 0.00 1.57 3.64 -0.59 -3.36 116.57 117.88 3k1q h LYS 1068Ca -0.04 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 3k1q h LYS 1068Cb 0.48 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 3k1q h LYS 1068CO 0.07 0.74 0.00 0.00 -2.27 0.00 0.00 179.45 177.98 3k1q n ALA 1069N -2.37 1.35 -2.58 5.00 0.00 0.23 -5.05 120.51 117.09 3k1q n ALA 1069Ca 0.01 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.80 3k1q n ALA 1069Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.66 3k1q n ALA 1069CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k1q n GLY 1070N -0.18 2.93 2.81 0.00 0.00 -0.56 -4.97 105.19 105.22 3k1q n GLY 1070Ca 0.00 -0.25 0.01 0.00 0.00 0.00 0.00 46.02 45.78 3k1q n GLY 1070CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3k1q s ARG 1071N 3.04 0.28 -0.33 1.61 6.06 0.27 -4.93 118.95 124.96 3k1q s ARG 1071Ca 0.00 -0.13 0.02 0.00 -2.50 0.00 0.00 55.73 53.12 3k1q s ARG 1071Cb 0.00 0.02 0.10 0.00 0.06 0.00 0.00 34.95 35.13 3k1q s ARG 1071CO 0.00 -0.40 0.07 0.99 -2.50 0.00 0.00 175.30 173.46 3k1q s THR 1072N 1.77 1.64 -0.67 4.11 2.01 -1.19 -3.28 115.64 120.03 3k1q s THR 1072Ca 0.16 -1.91 -0.27 0.00 0.31 0.00 0.00 61.69 59.99 3k1q s THR 1072Cb 0.04 -2.22 0.01 0.00 0.01 0.00 0.00 72.50 70.34 3k1q s THR 1072CO -0.13 -0.63 1.50 -0.60 -0.69 0.00 0.00 174.62 174.07 3k1q s ARG 1073N 1.23 3.01 -0.37 4.92 3.52 0.17 -4.55 118.95 126.88 3k1q s ARG 1073Ca 0.10 0.16 -0.23 0.00 -0.13 0.00 0.00 55.73 55.63 3k1q s ARG 1073Cb -0.18 -4.24 0.01 0.00 -1.56 0.00 0.00 34.95 28.98 3k1q s ARG 1073CO -0.16 -2.32 0.79 0.14 -0.81 0.00 0.00 175.30 172.95 3k1q s VAL 1074N 6.94 4.72 -0.33 7.11 -7.23 -1.00 -2.81 120.40 127.79 3k1q s VAL 1074Ca 0.49 0.88 -0.18 0.00 -1.81 0.00 0.00 61.98 61.36 3k1q s VAL 1074Cb -0.10 -4.22 -0.01 0.00 0.56 0.00 0.00 36.38 32.61 3k1q s VAL 1074CO 0.18 -0.45 0.50 -0.22 -0.31 0.00 0.00 175.10 174.80 3k1q s LEU 1075N 3.13 4.30 -0.69 1.32 0.20 0.81 -0.52 118.68 127.23 3k1q s LEU 1075Ca 0.32 0.05 -0.07 0.00 0.69 0.00 0.00 54.13 55.11 3k1q s LEU 1075Cb -0.13 -2.58 0.18 0.00 -0.43 0.00 0.00 46.19 43.23 3k1q s LEU 1075CO 0.17 -0.44 0.55 -0.69 -0.29 0.00 0.00 176.35 175.66 3k1q s VAL 1076N 2.35 4.43 -0.47 1.68 1.01 0.91 -0.86 120.40 129.45 3k1q s VAL 1076Ca 0.19 -2.70 -0.27 0.00 0.00 0.00 0.00 61.98 59.20 3k1q s VAL 1076Cb -0.16 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 3k1q s VAL 1076CO 0.13 -0.92 2.02 -1.61 0.00 0.00 0.00 175.10 174.71 3k1q s GLU 1077N 0.13 2.71 -0.00 2.72 2.02 -0.13 -2.52 118.70 123.62 3k1q s GLU 1077Ca 0.16 1.15 0.02 0.00 0.02 0.00 0.00 54.97 56.33 3k1q s GLU 1077Cb -0.17 -4.39 -0.03 0.00 0.10 0.00 0.00 34.13 29.64 3k1q s GLU 1077CO -0.05 -2.60 0.06 1.28 0.02 0.00 0.00 175.26 173.97 3k1q n LEU 1078N 12.87 0.02 0.00 1.80 4.77 -1.26 -1.17 117.00 134.03 3k1q n LEU 1078Ca 0.26 -0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 3k1q n LEU 1078Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 3k1q n LEU 1078CO 0.70 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.37 3k1q n GLY 1079N 2.07 1.59 3.14 -0.72 0.00 -1.18 -4.70 105.19 105.40 3k1q n GLY 1079Ca -0.00 0.19 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 3k1q n GLY 1079CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3k1q s HIS 1080N 0.00 0.91 0.20 1.61 3.76 -1.26 0.25 115.29 120.77 3k1q s HIS 1080Ca 0.00 -0.69 -0.23 0.00 -0.15 0.00 0.00 55.06 53.98 3k1q s HIS 1080Cb 0.00 -0.52 0.05 0.00 1.11 0.00 0.00 32.58 33.22 3k1q s HIS 1080CO 0.00 -0.07 0.87 1.52 -0.85 0.00 0.00 174.74 176.21 3k1q s TYR 1081N -2.52 -0.15 0.14 1.40 -0.85 0.79 -4.97 117.35 111.19 3k1q s TYR 1081Ca 0.03 -0.22 0.06 0.00 -0.52 0.00 0.00 57.07 56.42 3k1q s TYR 1081Cb -0.02 0.67 -0.04 0.00 0.38 0.00 0.00 41.96 42.95 3k1q s TYR 1081CO -0.01 -1.00 0.03 0.14 -1.52 0.00 0.00 175.55 173.19 3k1q s VAL 1082N -3.52 4.01 -0.04 -3.49 -7.23 -1.26 -0.02 120.40 108.84 3k1q s VAL 1082Ca 0.12 -1.17 0.04 0.00 -1.81 0.00 0.00 61.98 59.16 3k1q s VAL 1082Cb -0.03 -2.98 -0.00 0.00 0.56 0.00 0.00 36.38 33.93 3k1q s VAL 1082CO 0.04 -0.01 -0.15 -0.72 -0.31 0.00 0.00 175.10 173.95 3k1q s TYR 1083N -1.56 1.51 -0.28 2.82 1.13 -1.24 -1.27 117.35 118.46 3k1q s TYR 1083Ca 0.27 -0.43 -0.01 0.00 -1.41 0.00 0.00 57.07 55.49 3k1q s TYR 1083Cb -0.10 -1.04 0.04 0.00 -1.10 0.00 0.00 41.96 39.76 3k1q s TYR 1083CO 0.19 -0.16 -0.03 -0.08 -2.51 0.00 0.00 175.55 172.96 3k1q s THR 1084N 0.12 2.87 0.32 -3.49 -1.32 0.17 -4.82 115.64 109.49 3k1q s THR 1084Ca -0.04 -1.28 -0.28 0.00 -1.21 0.00 0.00 61.69 58.87 3k1q s THR 1084Cb -0.11 -2.58 -0.10 0.00 -1.51 0.00 0.00 72.50 68.20 3k1q s THR 1084CO 0.02 0.01 1.15 -0.76 -2.21 0.00 0.00 174.62 172.83 3k1q s LEU 1085N 1.26 4.45 0.02 9.08 1.43 0.70 -2.20 118.68 133.41 3k1q s LEU 1085Ca -0.04 2.35 0.06 0.00 -1.03 0.00 0.00 54.13 55.47 3k1q s LEU 1085Cb -0.19 -3.73 -0.02 0.00 0.03 0.00 0.00 46.19 42.29 3k1q s LEU 1085CO -0.03 -0.32 -0.17 -1.00 0.23 0.00 0.00 176.35 175.06 3k1q s HIS 1086N -1.23 1.52 -0.12 0.29 3.76 0.49 -4.34 115.29 115.66 3k1q s HIS 1086Ca 0.48 -0.33 0.03 0.00 -0.15 0.00 0.00 55.06 55.09 3k1q s HIS 1086Cb -0.33 -0.94 0.00 0.00 1.11 0.00 0.00 32.58 32.43 3k1q s HIS 1086CO 0.42 0.02 -0.22 0.71 -0.85 0.00 0.00 174.74 174.83 3k1q s TYR 1087N -0.62 2.64 0.09 1.40 1.51 -1.25 0.41 117.35 121.53 3k1q s TYR 1087Ca 0.06 -1.16 0.02 0.00 -1.01 0.00 0.00 57.07 54.98 3k1q s TYR 1087Cb -0.07 -1.78 -0.04 0.00 -0.11 0.00 0.00 41.96 39.96 3k1q s TYR 1087CO 0.01 -0.50 -0.08 1.52 -1.11 0.00 0.00 175.55 175.39 3k1q s TYR 1088N 0.59 0.91 -0.65 2.71 -0.85 -0.19 -4.95 117.35 114.92 3k1q s TYR 1088Ca -0.12 -0.75 -0.26 0.00 -0.52 0.00 0.00 57.07 55.42 3k1q s TYR 1088Cb -0.17 -0.52 -0.10 0.00 0.38 0.00 0.00 41.96 41.56 3k1q s TYR 1088CO 0.03 -0.08 2.39 0.34 -1.52 0.00 0.00 175.55 176.71 3k1q s ASP 1089N -2.58 4.17 0.63 -0.18 -1.08 -1.26 -1.15 116.67 115.22 3k1q s ASP 1089Ca 0.06 0.52 0.28 0.00 -0.52 0.00 0.00 52.55 52.89 3k1q s ASP 1089Cb -0.00 -2.53 1.50 0.00 -1.46 0.00 0.00 42.92 40.43 3k1q s ASP 1089CO -0.02 -3.39 1.88 1.55 0.52 0.00 0.00 175.17 175.71 3k1q h PRO 1090N 15.93 0.00 -0.04 4.34 0.13 -1.92 -2.31 132.00 148.13 3k1q h PRO 1090Ca -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 3k1q h PRO 1090Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3k1q h PRO 1090CO 1.08 0.00 0.00 0.94 -0.23 0.00 0.00 178.00 179.79 3k1q n GLN 1091N -3.26 1.19 -4.25 0.86 -0.06 -1.26 -4.46 117.38 106.13 3k1q n GLN 1091Ca 0.03 -0.28 -0.19 0.00 -2.00 0.00 0.00 57.00 54.56 3k1q n GLN 1091Cb 0.54 -1.31 -0.13 0.00 -4.06 0.00 0.00 30.24 25.28 3k1q n GLN 1091CO 0.00 0.00 0.00 0.96 -0.20 0.00 0.00 177.06 177.82 3k1q s ILE 1092N -1.95 1.07 -0.63 1.69 -5.25 -0.87 -4.54 121.20 110.72 3k1q s ILE 1092Ca 0.29 -1.13 -0.26 0.00 -0.99 0.00 0.00 60.65 58.55 3k1q s ILE 1092Cb 0.14 -1.00 -0.11 0.00 2.95 0.00 0.00 42.46 44.44 3k1q s ILE 1092CO 0.22 -0.12 2.42 -1.20 -1.79 0.00 0.00 174.94 174.48 3k1q n SER 1093N 1.60 1.96 -4.58 4.36 7.64 -1.26 -4.55 113.62 118.80 3k1q n SER 1093Ca -0.20 -0.85 -0.32 0.00 1.01 0.00 0.00 58.87 58.52 3k1q n SER 1093Cb 0.54 -1.57 -0.11 0.00 -1.01 0.00 0.00 64.21 62.07 3k1q n SER 1093CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3k1q s LEU 1094N 12.81 3.08 -0.11 -3.43 0.20 0.03 -4.92 118.68 126.34 3k1q s LEU 1094Ca 0.99 -0.21 0.03 0.00 0.69 0.00 0.00 54.13 55.62 3k1q s LEU 1094Cb -0.22 -1.79 0.01 0.00 -0.43 0.00 0.00 46.19 43.76 3k1q s LEU 1094CO 0.21 0.26 -0.21 -0.62 -0.29 0.00 0.00 176.35 175.71 3k1q s ASP 1095N -1.54 2.84 0.12 3.68 -1.08 -1.26 -1.99 116.67 117.44 3k1q s ASP 1095Ca 0.17 -0.52 0.15 0.00 -0.52 0.00 0.00 52.55 51.83 3k1q s ASP 1095Cb -0.11 -1.30 0.66 0.00 -1.46 0.00 0.00 42.92 40.71 3k1q s ASP 1095CO 0.08 0.11 1.46 -0.62 0.52 0.00 0.00 175.17 176.72 3k1q n GLU 1096N 3.78 0.07 -0.19 4.34 1.02 0.30 -4.45 120.64 125.51 3k1q n GLU 1096Ca -0.20 0.41 -0.03 0.00 -0.02 0.00 0.00 57.16 57.32 3k1q n GLU 1096Cb 0.52 -1.67 0.07 0.00 -0.02 0.00 0.00 31.44 30.35 3k1q n GLU 1096CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3k1q h ALA 1097N 2.26 0.74 -0.90 0.62 0.00 -1.97 -1.15 119.26 118.85 3k1q h ALA 1097Ca 0.00 0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.01 3k1q h ALA 1097Cb 0.19 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 3k1q h ALA 1097CO 0.00 -0.05 0.58 -1.35 0.00 0.00 0.00 179.25 178.43 3k1q h PRO 1098N 0.55 0.94 -0.26 0.00 0.11 -2.00 -1.51 132.00 129.83 3k1q h PRO 1098Ca 0.25 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.31 3k1q h PRO 1098Cb 0.17 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.05 3k1q h PRO 1098CO -0.18 0.62 0.16 0.82 -0.21 0.00 0.00 178.00 179.22 3k1q h ILE 1099N 0.97 1.09 0.03 4.15 2.04 -1.54 -2.39 117.51 121.85 3k1q h ILE 1099Ca 0.40 -0.19 -0.22 0.00 1.00 0.00 0.00 64.86 65.86 3k1q h ILE 1099Cb 0.29 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 3k1q h ILE 1099CO -0.16 0.08 -0.97 0.25 0.00 0.00 0.00 178.15 177.35 3k1q h LEU 1100N 0.34 0.33 -0.54 1.44 5.85 -1.47 -2.18 115.31 119.08 3k1q h LEU 1100Ca 0.09 -0.29 0.08 0.00 0.84 0.00 0.00 57.88 58.61 3k1q h LEU 1100Cb -0.01 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 40.85 3k1q h LEU 1100CO -0.02 1.12 0.16 -0.08 -0.34 0.00 0.00 178.44 179.28 3k1q h GLU 1101N 0.12 0.31 -0.27 1.25 4.81 -1.19 -0.71 114.58 118.90 3k1q h GLU 1101Ca -0.07 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.20 3k1q h GLU 1101Cb 1.63 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 30.89 3k1q h GLU 1101CO 0.15 0.21 -0.04 0.93 -0.73 0.00 0.00 179.01 179.53 3k1q h GLU 1102N 0.32 0.03 -0.64 1.92 5.08 -0.87 -0.80 114.58 119.62 3k1q h GLU 1102Ca 0.27 -0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.76 3k1q h GLU 1102Cb 0.34 -0.01 -0.10 0.00 0.50 0.00 0.00 28.75 29.48 3k1q h GLU 1102CO -0.30 0.02 0.08 2.35 -1.00 0.00 0.00 179.01 180.15 3k1q h TRP 1103N 0.03 0.10 -0.22 4.33 7.01 -0.97 -0.99 115.95 125.24 3k1q h TRP 1103Ca 0.13 0.04 -0.01 0.00 2.11 0.00 0.00 58.89 61.16 3k1q h TRP 1103Cb 0.19 0.05 -0.01 0.00 -2.10 0.00 0.00 29.16 27.29 3k1q h TRP 1103CO -0.24 -0.11 0.09 -0.07 -2.79 0.00 0.00 178.44 175.32 3k1q h LEU 1104N 0.19 0.31 -0.46 0.65 3.38 -0.57 -2.49 115.31 116.32 3k1q h LEU 1104Ca 0.34 -0.16 -0.16 0.00 0.09 0.00 0.00 57.88 57.98 3k1q h LEU 1104Cb 0.55 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 3k1q h LEU 1104CO -0.48 0.39 -0.77 0.77 0.09 0.00 0.00 178.44 178.43 3k1q h SER 1105N 0.21 0.03 -0.69 -0.43 4.64 -0.85 -3.08 113.55 113.38 3k1q h SER 1105Ca 0.07 -0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.36 3k1q h SER 1105Cb 0.18 -0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 62.22 3k1q h SER 1105CO -0.01 0.79 0.39 0.11 -0.87 0.00 0.00 176.83 177.25 3k1q h LYS 1106N 0.02 0.97 -6.29 4.77 1.57 -0.91 -3.46 116.57 113.23 3k1q h LYS 1106Ca -0.01 -0.10 -0.67 0.00 -1.87 0.00 0.00 60.65 58.00 3k1q h LYS 1106Cb 1.36 -0.20 0.05 0.00 0.08 0.00 0.00 32.23 33.53 3k1q h LYS 1106CO 0.10 0.71 0.51 -0.89 -0.57 0.00 0.00 179.45 179.31 3k1q n ILE 1107N -4.37 0.02 -4.60 1.86 5.41 -0.96 -4.82 119.36 111.89 3k1q n ILE 1107Ca 0.07 -0.00 -0.24 0.00 1.00 0.00 0.00 62.75 63.57 3k1q n ILE 1107Cb 0.09 -0.92 -0.14 0.00 -0.71 0.00 0.00 39.64 37.96 3k1q n ILE 1107CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 3k1q s ASN 1108N 0.67 2.26 0.56 4.38 3.84 -0.87 -4.80 114.94 120.99 3k1q s ASN 1108Ca 0.84 -0.49 0.42 0.00 0.21 0.00 0.00 52.86 53.84 3k1q s ASN 1108Cb -0.93 -0.19 1.58 0.00 -0.55 0.00 0.00 41.25 41.16 3k1q s ASN 1108CO 0.47 0.14 1.65 -0.65 -2.79 0.00 0.00 177.10 175.92 3k1q h PRO 1109N 4.96 0.00 -0.22 0.43 0.11 -1.80 -1.63 132.00 133.85 3k1q h PRO 1109Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3k1q h PRO 1109Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3k1q h PRO 1109CO 0.44 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.23 3k1q n ALA 1110N -2.77 2.25 -3.58 -0.75 0.00 -1.26 -4.79 120.51 109.60 3k1q n ALA 1110Ca 0.33 -0.97 -0.05 0.00 0.00 0.00 0.00 53.44 52.76 3k1q n ALA 1110Cb 1.61 -0.37 -0.02 0.00 0.00 0.00 0.00 19.45 20.68 3k1q n ALA 1110CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3k1q s GLY 1111N -0.95 -0.34 0.02 0.00 0.00 -0.61 -4.21 107.32 101.23 3k1q s GLY 1111Ca 0.18 1.28 0.08 0.00 0.00 0.00 0.00 44.72 46.26 3k1q s GLY 1111CO 0.13 0.41 -0.24 -0.42 0.00 0.00 0.00 173.10 172.98 3k1q s ILE 1112N -2.62 1.93 0.14 0.90 1.01 -0.55 -2.04 121.20 119.96 3k1q s ILE 1112Ca 0.09 -1.18 -0.15 0.00 0.00 0.00 0.00 60.65 59.41 3k1q s ILE 1112Cb -0.00 -1.63 -0.07 0.00 0.01 0.00 0.00 42.46 40.77 3k1q s ILE 1112CO -0.05 0.41 0.55 -2.16 0.00 0.00 0.00 174.94 173.68 3k1q s PRO 1113N -0.92 3.99 0.28 2.79 0.04 -1.26 -1.48 135.00 138.44 3k1q s PRO 1113Ca 0.10 0.50 -0.26 0.00 0.04 0.00 0.00 61.00 61.38 3k1q s PRO 1113Cb -0.09 -2.96 -0.15 0.00 0.04 0.00 0.00 34.50 31.33 3k1q s PRO 1113CO 0.01 0.49 0.58 -2.30 0.04 0.00 0.00 177.00 175.82 3k1q n PRO 1114N 0.88 0.39 -1.86 0.56 -0.02 -1.26 -4.88 135.00 128.82 3k1q n PRO 1114Ca -0.06 0.14 -0.42 0.00 -2.02 0.00 0.00 63.50 61.14 3k1q n PRO 1114Cb 0.52 -1.27 -0.03 0.00 -0.02 0.00 0.00 33.50 32.70 3k1q n PRO 1114CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3k1q s VAL 1115N -1.17 3.18 -0.63 -1.45 1.01 -0.40 -4.72 120.40 116.23 3k1q s VAL 1115Ca 0.62 0.38 -0.28 0.00 0.00 0.00 0.00 61.98 62.70 3k1q s VAL 1115Cb -0.79 -3.24 0.03 0.00 0.00 0.00 0.00 36.38 32.37 3k1q s VAL 1115CO 0.58 -0.02 1.21 -2.16 0.00 0.00 0.00 175.10 174.71 3k1q s PRO 1116N 3.71 3.40 -0.84 2.72 0.05 -1.26 0.46 135.00 143.25 3k1q s PRO 1116Ca 0.79 0.07 -0.04 0.00 0.05 0.00 0.00 61.00 61.87 3k1q s PRO 1116Cb -0.39 -4.07 0.21 0.00 0.05 0.00 0.00 34.50 30.30 3k1q s PRO 1116CO 0.35 -1.83 0.72 -0.06 0.05 0.00 0.00 177.00 176.22 3k1q s PHE 1117N 5.18 3.79 0.03 0.56 2.99 -0.94 -4.97 117.98 124.63 3k1q s PHE 1117Ca 0.40 -2.82 -0.27 0.00 0.00 0.00 0.00 56.93 54.25 3k1q s PHE 1117Cb -0.08 -3.34 -0.05 0.00 0.00 0.00 0.00 43.02 39.55 3k1q s PHE 1117CO 0.22 -0.81 0.83 0.00 -0.00 0.00 0.00 175.22 175.46 3k1q s ILE 1119N 0.30 0.29 0.33 0.00 2.07 0.17 -4.81 121.20 119.56 3k1q s ILE 1119Ca 0.42 -0.08 -0.27 0.00 -1.41 0.00 0.00 60.65 59.31 3k1q s ILE 1119Cb -0.21 -0.30 -0.09 0.00 0.13 0.00 0.00 42.46 41.99 3k1q s ILE 1119CO 0.24 0.12 1.11 -2.16 -1.91 0.00 0.00 174.94 172.34 3k1q s PRO 1120N 0.38 4.40 0.30 3.50 0.04 -1.26 -1.03 135.00 141.33 3k1q s PRO 1120Ca -0.04 1.76 -0.29 0.00 0.04 0.00 0.00 61.00 62.47 3k1q s PRO 1120Cb -0.07 -2.93 -0.10 0.00 0.04 0.00 0.00 34.50 31.44 3k1q s PRO 1120CO -0.01 0.01 1.33 0.42 0.04 0.00 0.00 177.00 178.79 3k1q s ILE 1121N -1.33 2.77 0.26 0.56 1.01 -0.30 -4.85 121.20 119.33 3k1q s ILE 1121Ca 0.50 0.73 -0.30 0.00 0.00 0.00 0.00 60.65 61.58 3k1q s ILE 1121Cb -0.30 -3.47 -0.11 0.00 0.01 0.00 0.00 42.46 38.60 3k1q s ILE 1121CO 0.38 0.16 1.56 -2.84 0.00 0.00 0.00 174.94 174.20 3k1q s PRO 1122N -1.34 4.17 0.06 2.79 0.02 -1.25 -4.65 135.00 134.79 3k1q s PRO 1122Ca 0.52 2.49 0.09 0.00 0.02 0.00 0.00 61.00 64.12 3k1q s PRO 1122Cb -0.40 -3.06 -0.03 0.00 0.02 0.00 0.00 34.50 31.03 3k1q s PRO 1122CO 0.49 -0.59 -0.25 -0.65 -0.33 0.00 0.00 177.00 175.67 3k1q s GLN 1123N -0.20 1.64 -0.37 5.54 -1.52 0.23 -4.99 119.66 119.98 3k1q s GLN 1123Ca 0.64 -1.12 0.03 0.00 -1.95 0.00 0.00 55.36 52.96 3k1q s GLN 1123Cb -0.46 -1.86 0.53 0.00 -0.22 0.00 0.00 33.01 31.01 3k1q s GLN 1123CO 0.44 0.47 1.75 1.33 -0.25 0.00 0.00 175.29 179.04 3k1q n VAL 1124N 1.63 2.81 -3.62 1.09 0.24 -1.26 -1.26 118.33 117.96 3k1q n VAL 1124Ca -0.17 -1.59 -0.12 0.00 -2.04 0.00 0.00 64.34 60.42 3k1q n VAL 1124Cb 0.52 -0.60 -0.07 0.00 -1.47 0.00 0.00 33.84 32.23 3k1q n VAL 1124CO 0.00 0.00 0.00 -0.72 -2.14 0.00 0.00 176.83 173.97 3k1q s TYR 1125N -2.68 -0.60 -0.74 6.34 -0.85 -1.26 -4.64 117.35 112.92 3k1q s TYR 1125Ca 0.46 1.39 -0.25 0.00 -0.52 0.00 0.00 57.07 58.15 3k1q s TYR 1125Cb 0.39 0.34 -0.16 0.00 0.38 0.00 0.00 41.96 42.91 3k1q s TYR 1125CO 0.08 -0.33 2.44 -2.30 -1.52 0.00 0.00 175.55 173.92 3k1q n PRO 1126N 2.12 0.56 -4.46 -3.49 -0.02 -1.26 -3.95 135.00 124.50 3k1q n PRO 1126Ca -0.13 -0.24 -0.23 0.00 -2.02 0.00 0.00 63.50 60.87 3k1q n PRO 1126Cb 0.56 -2.80 -0.10 0.00 -0.02 0.00 0.00 33.50 31.13 3k1q n PRO 1126CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3k1q n ILE 1128N -0.62 0.00 -4.73 0.00 -5.35 -1.26 -5.00 119.36 102.40 3k1q n ILE 1128Ca -0.05 0.00 -0.32 0.00 -0.27 0.00 0.00 62.75 62.10 3k1q n ILE 1128Cb 0.61 -0.20 -0.12 0.00 -1.74 0.00 0.00 39.64 38.19 3k1q n ILE 1128CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 3k1q s THR 1129N -1.17 3.23 0.21 7.28 -1.32 -1.26 -4.87 115.64 117.73 3k1q s THR 1129Ca 0.14 -0.77 0.06 0.00 -1.21 0.00 0.00 61.69 59.91 3k1q s THR 1129Cb -0.02 -2.32 -0.05 0.00 -1.51 0.00 0.00 72.50 68.60 3k1q s THR 1129CO 0.11 0.51 -0.11 0.00 -2.21 0.00 0.00 174.62 172.93 3k1q s ALA 1130N -0.83 1.92 -0.16 11.08 0.00 -1.26 -5.00 121.76 127.51 3k1q s ALA 1130Ca 0.13 -1.67 -0.21 0.00 0.00 0.00 0.00 51.96 50.21 3k1q s ALA 1130Cb -0.11 0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.03 3k1q s ALA 1130CO 0.03 -0.02 0.64 1.03 0.00 0.00 0.00 175.76 177.44 3k1q s ARG 1131N -3.70 4.28 -0.38 0.00 0.52 -1.26 -4.56 118.95 113.85 3k1q s ARG 1131Ca 0.23 0.68 0.04 0.00 -0.52 0.00 0.00 55.73 56.16 3k1q s ARG 1131Cb 0.01 -3.53 0.11 0.00 0.52 0.00 0.00 34.95 32.06 3k1q s ARG 1131CO 0.06 -0.13 0.11 1.03 0.02 0.00 0.00 175.30 176.39 3k1q s ARG 1132N 1.54 1.57 -0.34 3.54 0.52 -0.13 -0.79 118.95 124.86 3k1q s ARG 1132Ca 0.31 -2.03 -0.08 0.00 -0.52 0.00 0.00 55.73 53.40 3k1q s ARG 1132Cb -0.16 -3.18 0.02 0.00 0.52 0.00 0.00 34.95 32.16 3k1q s ARG 1132CO 0.12 -0.99 0.13 0.08 0.02 0.00 0.00 175.30 174.67 3k1q s VAL 1133N 0.63 4.13 0.32 3.52 1.01 -0.84 -0.73 120.40 128.44 3k1q s VAL 1133Ca 0.13 -0.88 0.09 0.00 0.00 0.00 0.00 61.98 61.32 3k1q s VAL 1133Cb -0.21 -3.26 -0.06 0.00 0.00 0.00 0.00 36.38 32.85 3k1q s VAL 1133CO -0.07 -0.11 -0.09 -1.00 0.00 0.00 0.00 175.10 173.84 3k1q s HIS 1134N 1.49 2.26 0.00 5.22 3.76 -0.44 -0.54 115.29 127.04 3k1q s HIS 1134Ca 0.01 -0.55 0.00 0.00 -0.15 0.00 0.00 55.06 54.37 3k1q s HIS 1134Cb -0.19 -1.28 0.00 0.00 1.11 0.00 0.00 32.58 32.23 3k1q s HIS 1134CO 0.04 0.50 0.00 0.66 -0.85 0.00 0.00 174.74 175.09 3k1q n TYR 1135N -0.72 0.00 -3.19 1.40 4.02 -1.24 -1.46 117.16 115.97 3k1q n TYR 1135Ca -0.05 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.43 3k1q n TYR 1135Cb 0.63 0.10 -0.07 0.00 -0.02 0.00 0.00 39.34 39.98 3k1q n TYR 1135CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3k1q s ALA 1136N -1.51 3.51 -0.03 -0.72 0.00 -1.26 -0.25 121.76 121.50 3k1q s ALA 1136Ca 0.00 -0.82 0.02 0.00 0.00 0.00 0.00 51.96 51.16 3k1q s ALA 1136Cb 0.00 -3.04 0.00 0.00 0.00 0.00 0.00 23.12 20.08 3k1q s ALA 1136CO 0.00 -1.12 -0.09 -0.06 0.00 0.00 0.00 175.76 174.49 3k1q s PHE 1137N 2.49 0.93 -0.10 0.00 0.40 -1.00 -4.72 117.98 115.99 3k1q s PHE 1137Ca 0.22 -0.23 -0.01 0.00 -0.60 0.00 0.00 56.93 56.31 3k1q s PHE 1137Cb -0.15 -0.67 -0.03 0.00 0.51 0.00 0.00 43.02 42.68 3k1q s PHE 1137CO 0.12 -0.10 -0.06 -0.08 0.70 0.00 0.00 175.22 175.80 3k1q s THR 1138N 0.20 3.72 0.55 0.64 -1.32 -1.26 -0.86 115.64 117.31 3k1q s THR 1138Ca -0.03 -0.45 0.46 0.00 -1.21 0.00 0.00 61.69 60.46 3k1q s THR 1138Cb -0.08 -2.56 0.68 0.00 -1.51 0.00 0.00 72.50 69.02 3k1q s THR 1138CO 0.00 0.56 1.64 0.77 -2.21 0.00 0.00 174.62 175.38 3k1q h SER 1139N 5.86 0.01 -4.29 8.08 4.64 -1.61 -3.41 113.55 122.83 3k1q h SER 1139Ca -0.41 0.01 -0.51 0.00 -0.47 0.00 0.00 61.79 60.41 3k1q h SER 1139Cb 1.18 0.01 -0.27 0.00 -0.31 0.00 0.00 62.40 63.01 3k1q h SER 1139CO 0.56 -0.01 -0.82 -1.61 -0.87 0.00 0.00 176.83 174.08 3k1q s GLU 1140N -4.91 1.21 0.08 4.77 8.01 -1.25 -4.80 118.70 121.82 3k1q s GLU 1140Ca -0.05 -0.71 -0.31 0.00 0.01 0.00 0.00 54.97 53.91 3k1q s GLU 1140Cb 0.26 -1.22 -0.09 0.00 -4.31 0.00 0.00 34.13 28.77 3k1q s GLU 1140CO 0.87 0.32 1.69 -0.80 0.01 0.00 0.00 175.26 177.35 3k1q s ASN 1141N -0.78 6.57 0.00 -0.19 0.01 -1.26 -4.50 114.94 114.78 3k1q s ASN 1141Ca 0.05 2.55 0.07 0.00 -0.71 0.00 0.00 52.86 54.81 3k1q s ASN 1141Cb -0.07 -2.56 0.13 0.00 0.41 0.00 0.00 41.25 39.16 3k1q s ASN 1141CO 0.00 -0.91 0.97 0.59 -1.51 0.00 0.00 177.10 176.25 3k1q n ASN 1142N 5.56 2.16 0.00 -1.22 3.02 0.55 -4.84 115.26 120.49 3k1q n ASN 1142Ca 0.16 -1.70 0.05 0.00 -0.03 0.00 0.00 54.58 53.06 3k1q n ASN 1142Cb 0.40 -0.08 0.32 0.00 -0.61 0.00 0.00 39.78 39.80 3k1q n ASN 1142CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 3k1q n ASN 1143N 0.24 0.00 -0.13 6.41 6.94 -1.11 -4.17 115.26 123.43 3k1q n ASN 1143Ca 0.06 -0.32 -0.00 0.00 -0.02 0.00 0.00 54.58 54.30 3k1q n ASN 1143Cb 0.28 -0.01 0.26 0.00 -2.36 0.00 0.00 39.78 37.95 3k1q n ASN 1143CO 0.00 0.00 0.00 -2.24 -1.03 0.00 0.00 177.26 173.99 3k1q h ASP 1144N 0.00 0.74 0.17 0.53 2.03 -1.91 -2.61 116.42 115.36 3k1q h ASP 1144Ca 0.00 -0.07 0.00 0.00 -0.73 0.00 0.00 57.03 56.23 3k1q h ASP 1144Cb 0.00 -0.19 0.00 0.00 -0.83 0.00 0.00 39.33 38.32 3k1q h ASP 1144CO 0.00 0.63 0.00 -1.54 -1.03 0.00 0.00 179.24 177.30 3k1q n SER 1145N -4.36 0.37 -4.60 4.15 3.41 -1.26 -4.73 113.62 106.61 3k1q n SER 1145Ca 0.05 0.65 -0.43 0.00 -0.26 0.00 0.00 58.87 58.88 3k1q n SER 1145Cb 0.13 -0.71 -0.02 0.00 -0.26 0.00 0.00 64.21 63.35 3k1q n SER 1145CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3k1q s LEU 1146N -3.95 3.66 0.12 1.04 2.96 -0.99 -0.22 118.68 121.30 3k1q s LEU 1146Ca 0.00 0.44 0.06 0.00 -0.22 0.00 0.00 54.13 54.41 3k1q s LEU 1146Cb 0.05 -3.52 -0.20 0.00 0.50 0.00 0.00 46.19 43.02 3k1q s LEU 1146CO 0.18 -1.24 1.28 0.15 -1.32 0.00 0.00 176.35 175.40 3k1q h PHE 1147N 9.22 0.05 -1.32 5.38 3.57 -1.47 -3.47 116.94 128.90 3k1q h PHE 1147Ca -0.23 -0.04 0.21 0.00 3.53 0.00 0.00 57.97 61.44 3k1q h PHE 1147Cb 1.06 -0.00 -0.23 0.00 2.79 0.00 0.00 35.95 39.57 3k1q h PHE 1147CO 0.97 1.02 0.81 -1.54 -2.23 0.00 0.00 178.31 177.34 3k1q s SER 1148N -6.76 -0.15 -0.05 0.41 1.04 -0.11 -3.73 113.70 104.35 3k1q s SER 1148Ca 0.00 0.11 0.03 0.00 0.48 0.00 0.00 55.95 56.57 3k1q s SER 1148Cb 0.10 0.13 0.01 0.00 0.10 0.00 0.00 66.02 66.36 3k1q s SER 1148CO 0.82 -0.17 -0.12 0.42 0.98 0.00 0.00 173.24 175.17 3k1q s THR 1149N -1.55 1.06 0.00 2.02 -4.23 -1.14 -0.53 115.64 111.28 3k1q s THR 1149Ca 0.07 -0.46 0.00 0.00 -1.18 0.00 0.00 61.69 60.11 3k1q s THR 1149Cb -0.01 -0.96 0.00 0.00 1.34 0.00 0.00 72.50 72.87 3k1q s THR 1149CO -0.05 0.33 0.00 0.59 -0.54 0.00 0.00 174.62 174.96 3k1q n ASN 1150N 3.62 0.00 0.00 3.99 3.02 0.84 -4.76 115.26 121.98 3k1q n ASN 1150Ca -0.21 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.34 3k1q n ASN 1150Cb 0.52 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.69 3k1q n ASN 1150CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3k1q n ALA 1151N 0.00 0.00 -0.19 5.41 0.00 -1.25 -3.04 120.51 121.44 3k1q n ALA 1151Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 3k1q n ALA 1151Cb 0.00 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.55 3k1q n ALA 1151CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k1q n ALA 1152N 0.00 4.17 -2.48 0.00 0.00 -1.26 -0.92 120.51 120.01 3k1q n ALA 1152Ca 0.00 -1.55 -0.24 0.00 0.00 0.00 0.00 53.44 51.65 3k1q n ALA 1152Cb 0.00 -1.24 -0.12 0.00 0.00 0.00 0.00 19.45 18.09 3k1q n ALA 1152CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3k1q s SER 1153N -0.23 2.78 0.09 0.00 0.01 -1.17 -2.74 113.70 112.43 3k1q s SER 1153Ca 0.31 -0.78 -0.03 0.00 1.31 0.00 0.00 55.95 56.76 3k1q s SER 1153Cb 0.26 -0.17 -0.26 0.00 0.21 0.00 0.00 66.02 66.06 3k1q s SER 1153CO 0.06 0.04 1.17 0.16 0.41 0.00 0.00 173.24 175.08 3k1q h ILE 1154N 3.65 1.52 -2.41 1.44 3.07 -1.90 -1.72 117.51 121.15 3k1q h ILE 1154Ca -0.45 -3.05 -0.07 0.00 1.55 0.00 0.00 64.86 62.83 3k1q h ILE 1154Cb 1.19 2.89 -0.24 0.00 -0.27 0.00 0.00 36.82 40.40 3k1q h ILE 1154CO 0.45 0.89 -0.15 -0.62 -1.05 0.00 0.00 178.15 177.66 3k1q s ASP 1155N -7.10 -0.64 -0.34 2.16 -1.08 -1.26 -4.81 116.67 103.60 3k1q s ASP 1155Ca -0.04 1.11 -0.15 0.00 -0.52 0.00 0.00 52.55 52.96 3k1q s ASP 1155Cb 0.08 1.03 -0.01 0.00 -1.46 0.00 0.00 42.92 42.55 3k1q s ASP 1155CO 0.88 -0.20 0.36 -0.89 0.52 0.00 0.00 175.17 175.84 3k1q s THR 1156N 1.13 5.17 0.00 1.71 2.01 -1.26 -4.43 115.64 119.96 3k1q s THR 1156Ca -0.07 0.08 0.00 0.00 0.31 0.00 0.00 61.69 62.02 3k1q s THR 1156Cb -0.06 -3.81 0.00 0.00 0.01 0.00 0.00 72.50 68.64 3k1q s THR 1156CO -0.11 -0.08 0.00 0.00 -0.69 0.00 0.00 174.62 173.75 3k1q n ALA 1157N 5.38 0.93 -2.00 7.40 0.00 -0.54 -4.62 120.51 127.07 3k1q n ALA 1157Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.93 3k1q n ALA 1157Cb 0.49 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.92 3k1q n ALA 1157CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3k1q s PHE 1158N 0.00 2.64 -0.48 0.00 5.36 -0.39 -0.90 117.98 124.21 3k1q s PHE 1158Ca 0.00 0.49 0.00 0.00 -0.96 0.00 0.00 56.93 56.46 3k1q s PHE 1158Cb 0.00 -3.88 0.00 0.00 -0.34 0.00 0.00 43.02 38.80 3k1q s PHE 1158CO 0.00 -3.44 0.00 0.41 -1.46 0.00 0.00 175.22 170.73 3k1q n GLY 1159N 3.86 0.73 3.09 13.12 0.00 -1.26 0.75 105.19 125.48 3k1q n GLY 1159Ca 0.15 -0.70 -0.43 0.00 0.00 0.00 0.00 46.02 45.04 3k1q n GLY 1159CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3k1q n GLU 1160N -2.72 0.00 -1.36 1.61 2.13 -0.08 -3.95 120.64 116.26 3k1q n GLU 1160Ca -0.05 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.77 3k1q n GLU 1160Cb 0.17 -0.91 0.00 0.00 0.27 0.00 0.00 31.44 30.96 3k1q n GLU 1160CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3k1q n ASN 1161N 1.89 0.00 -4.74 4.31 3.02 -1.26 -5.04 115.26 113.44 3k1q n ASN 1161Ca 0.15 -0.72 -0.23 0.00 -0.03 0.00 0.00 54.58 53.76 3k1q n ASN 1161Cb 0.25 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.36 3k1q n ASN 1161CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3k1q s ALA 1162N -1.91 3.48 0.19 5.41 0.00 -1.26 -5.04 121.76 122.63 3k1q s ALA 1162Ca 0.00 -1.73 0.00 0.00 0.00 0.00 0.00 51.96 50.23 3k1q s ALA 1162Cb 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 23.12 22.27 3k1q s ALA 1162CO 0.00 0.10 0.00 0.00 0.00 0.00 0.00 175.76 175.86 3k1q n ALA 1163N -1.12 0.00 -0.78 0.00 0.00 -1.26 -2.86 120.51 114.49 3k1q n ALA 1163Ca -0.04 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.09 3k1q n ALA 1163Cb 0.60 0.00 0.16 0.00 0.00 0.00 0.00 19.45 20.22 3k1q n ALA 1163CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3k1q s VAL 1164N 1.58 2.26 -0.46 0.00 -7.23 -1.24 -4.50 120.40 110.80 3k1q s VAL 1164Ca 0.00 0.08 -0.17 0.00 -1.81 0.00 0.00 61.98 60.09 3k1q s VAL 1164Cb 0.00 -2.19 0.05 0.00 0.56 0.00 0.00 36.38 34.80 3k1q s VAL 1164CO 0.00 -0.11 0.45 -0.55 -0.31 0.00 0.00 175.10 174.58 3k1q s SER 1165N -2.79 6.17 0.51 4.85 0.15 -1.26 -4.94 113.70 116.39 3k1q s SER 1165Ca 0.66 -1.05 0.20 0.00 0.70 0.00 0.00 55.95 56.46 3k1q s SER 1165Cb -0.22 -2.21 1.29 0.00 -1.71 0.00 0.00 66.02 63.17 3k1q s SER 1165CO 0.58 -0.67 2.04 1.55 1.20 0.00 0.00 173.24 177.94 3k1q h PRO 1166N 8.79 0.07 -0.84 5.44 0.13 -1.98 -2.08 132.00 141.54 3k1q h PRO 1166Ca -0.28 -0.00 0.24 0.00 -0.87 0.00 0.00 66.00 65.09 3k1q h PRO 1166Cb 1.11 -0.02 -0.04 0.00 0.13 0.00 0.00 31.00 32.18 3k1q h PRO 1166CO 0.87 0.05 0.60 -0.07 -0.23 0.00 0.00 178.00 179.21 3k1q h LEU 1167N 0.07 0.06 -1.98 1.56 3.38 -1.97 -1.85 115.31 114.58 3k1q h LEU 1167Ca 0.18 0.01 0.17 0.00 0.09 0.00 0.00 57.88 58.32 3k1q h LEU 1167Cb 0.61 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 3k1q h LEU 1167CO -0.01 0.02 0.50 0.03 0.09 0.00 0.00 178.44 179.06 3k1q h ARG 1168N 0.06 0.00 -1.46 1.13 3.08 -1.66 -3.23 114.38 112.29 3k1q h ARG 1168Ca 0.41 0.00 -0.45 0.00 0.07 0.00 0.00 59.98 60.01 3k1q h ARG 1168Cb 1.53 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 31.18 3k1q h ARG 1168CO -0.03 0.00 -1.07 0.91 -1.07 0.00 0.00 179.97 178.71 3k1q n TRP 1169N -3.99 1.54 -0.22 3.04 8.01 -0.70 0.60 117.44 125.72 3k1q n TRP 1169Ca 0.11 -3.22 0.00 0.00 -1.31 0.00 0.00 57.50 53.08 3k1q n TRP 1169Cb 0.72 -0.35 0.08 0.00 -2.01 0.00 0.00 31.31 29.75 3k1q n TRP 1169CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.69 175.33 3k1q h PRO 1170N 2.93 0.02 -0.26 -0.99 0.11 -1.62 0.48 132.00 132.66 3k1q h PRO 1170Ca 0.04 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.15 3k1q h PRO 1170Cb 1.02 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 3k1q h PRO 1170CO 0.59 0.01 0.17 0.78 -0.21 0.00 0.00 178.00 179.34 3k1q h GLY 1171N 0.02 0.37 1.77 -0.55 0.00 -1.77 0.06 103.07 102.98 3k1q h GLY 1171Ca 0.32 -0.15 -0.09 0.00 0.00 0.00 0.00 47.33 47.41 3k1q h GLY 1171CO -0.65 0.14 -0.31 -2.00 0.00 0.00 0.00 176.54 173.73 3k1q h LEU 1172N 0.34 0.27 0.59 3.11 5.85 -1.31 -3.27 115.31 120.89 3k1q h LEU 1172Ca 0.10 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 3k1q h LEU 1172Cb -0.01 -0.07 0.01 0.00 0.37 0.00 0.00 40.66 40.95 3k1q h LEU 1172CO -0.02 0.57 -0.28 0.58 -0.34 0.00 0.00 178.44 178.95 3k1q h VAL 1173N 0.24 0.22 -3.17 1.05 2.07 -0.83 -1.44 116.25 114.38 3k1q h VAL 1173Ca 0.03 -0.36 -0.67 0.00 0.82 0.00 0.00 66.70 66.52 3k1q h VAL 1173Cb 0.66 0.30 -0.35 0.00 -1.52 0.00 0.00 31.29 30.39 3k1q h VAL 1173CO 0.05 0.03 -0.85 -0.62 0.02 0.00 0.00 177.57 176.20 3k1q s ASP 1174N -4.64 3.34 0.41 0.57 3.68 -0.00 -1.87 116.67 118.16 3k1q s ASP 1174Ca -0.14 -0.74 0.28 0.00 2.13 0.00 0.00 52.55 54.08 3k1q s ASP 1174Cb 0.02 -1.50 1.49 0.00 -1.45 0.00 0.00 42.92 41.48 3k1q s ASP 1174CO 0.47 -0.03 1.86 1.55 0.13 0.00 0.00 175.17 179.15 3k1q h PRO 1175N 7.92 0.00 0.00 4.34 0.13 -1.84 -2.79 132.00 139.76 3k1q h PRO 1175Ca -0.42 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.70 3k1q h PRO 1175Cb 1.13 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 3k1q h PRO 1175CO 0.62 0.00 -0.01 -0.91 -0.23 0.00 0.00 178.00 177.47 3k1q h ASN 1176N 0.00 0.00 -3.36 1.44 4.21 -1.90 -3.43 115.58 112.54 3k1q h ASN 1176Ca 0.00 0.00 -0.71 0.00 1.21 0.00 0.00 56.30 56.80 3k1q h ASN 1176Cb 0.05 0.00 -0.20 0.00 -1.12 0.00 0.00 38.32 37.05 3k1q h ASN 1176CO 0.00 0.01 -0.18 -0.31 -1.29 0.00 0.00 177.43 175.66 3k1q s TYR 1177N -4.91 3.16 -1.29 1.19 1.51 -1.05 -5.01 117.35 110.94 3k1q s TYR 1177Ca -0.05 -0.62 -0.18 0.00 -1.01 0.00 0.00 57.07 55.21 3k1q s TYR 1177Cb 0.16 -3.18 0.04 0.00 -0.11 0.00 0.00 41.96 38.88 3k1q s TYR 1177CO 0.63 -0.84 1.83 0.54 -1.11 0.00 0.00 175.55 176.61 3k1q n ARG 1178N 5.63 2.92 0.00 -0.62 3.00 -1.26 -4.36 116.66 121.96 3k1q n ARG 1178Ca -0.09 -3.06 0.00 0.00 -0.01 0.00 0.00 57.85 54.69 3k1q n ARG 1178Cb 0.45 -3.49 0.00 0.00 0.00 0.00 0.00 32.46 29.43 3k1q n ARG 1178CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 3k1q n VAL 1179N 6.40 0.00 0.00 1.55 0.24 -1.26 -4.46 118.33 120.79 3k1q n VAL 1179Ca 0.49 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.79 3k1q n VAL 1179Cb 0.45 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.82 3k1q n VAL 1179CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3k1q n GLY 1180N 0.00 -1.68 3.63 7.63 0.00 -1.26 -4.24 105.19 109.27 3k1q n GLY 1180Ca 0.00 0.78 -0.33 0.00 0.00 0.00 0.00 46.02 46.46 3k1q n GLY 1180CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3k1q s THR 1181N 0.00 3.91 -0.59 2.61 -4.23 -1.26 -5.06 115.64 111.02 3k1q s THR 1181Ca 0.00 -0.56 -0.27 0.00 -1.18 0.00 0.00 61.69 59.68 3k1q s THR 1181Cb 0.00 -2.67 -0.02 0.00 1.34 0.00 0.00 72.50 71.15 3k1q s THR 1181CO 0.00 0.48 1.83 0.21 -0.54 0.00 0.00 174.62 176.60 3k1q s ASN 1182N -1.20 5.36 0.00 3.99 2.47 -1.26 -4.81 114.94 119.49 3k1q s ASN 1182Ca 0.16 0.38 0.23 0.00 0.42 0.00 0.00 52.86 54.05 3k1q s ASN 1182Cb -0.11 -2.53 0.09 0.00 -1.45 0.00 0.00 41.25 37.25 3k1q s ASN 1182CO 0.06 -2.30 1.16 0.47 -3.72 0.00 0.00 177.10 172.77 3k1q n ASP 1183N 12.42 2.25 -4.88 -4.21 9.92 -1.26 -4.99 116.55 125.80 3k1q n ASP 1183Ca 0.20 -1.62 -0.35 0.00 -0.53 0.00 0.00 54.79 52.48 3k1q n ASP 1183Cb 0.52 0.33 -0.05 0.00 -0.64 0.00 0.00 41.12 41.27 3k1q n ASP 1183CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3k1q s LEU 1184N -2.35 4.39 -0.24 0.64 1.43 -1.26 -1.28 118.68 120.01 3k1q s LEU 1184Ca 0.22 0.53 0.07 0.00 -1.03 0.00 0.00 54.13 53.91 3k1q s LEU 1184Cb 0.19 -2.44 0.57 0.00 0.03 0.00 0.00 46.19 44.53 3k1q s LEU 1184CO 0.49 0.32 1.54 -0.81 0.23 0.00 0.00 176.35 178.12 3k1q n PRO 1185N 1.45 3.10 0.22 1.29 -0.04 -1.26 -4.99 135.00 134.77 3k1q n PRO 1185Ca -0.14 -2.31 -0.09 0.00 -0.04 0.00 0.00 63.50 60.92 3k1q n PRO 1185Cb 0.53 -2.00 -0.04 0.00 -0.04 0.00 0.00 33.50 31.96 3k1q n PRO 1185CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 3k1q h ASN 1186N 2.06 -0.47 -3.90 3.54 -1.24 -1.57 -3.43 115.58 110.57 3k1q h ASN 1186Ca 0.20 0.02 -0.23 0.00 0.71 0.00 0.00 56.30 56.99 3k1q h ASN 1186Cb 1.94 0.12 -0.27 0.00 0.73 0.00 0.00 38.32 40.84 3k1q h ASN 1186CO 0.56 -0.31 -0.72 -0.60 -1.29 0.00 0.00 177.43 175.07 3k1q s ARG 1187N -3.99 0.08 -0.57 6.67 6.06 -1.05 -4.83 118.95 121.33 3k1q s ARG 1187Ca -0.08 -0.09 -0.24 0.00 -2.50 0.00 0.00 55.73 52.81 3k1q s ARG 1187Cb 0.01 -0.03 0.04 0.00 0.06 0.00 0.00 34.95 35.03 3k1q s ARG 1187CO 0.24 0.00 0.98 0.42 -2.50 0.00 0.00 175.30 174.44 3k1q s ILE 1188N -0.19 4.33 0.27 4.11 1.01 -1.26 -4.68 121.20 124.79 3k1q s ILE 1188Ca -0.02 0.27 -0.30 0.00 0.00 0.00 0.00 60.65 60.61 3k1q s ILE 1188Cb -0.01 -4.58 -0.10 0.00 0.01 0.00 0.00 42.46 37.78 3k1q s ILE 1188CO -0.00 -1.19 1.35 -0.89 0.00 0.00 0.00 174.94 174.21 3k1q s THR 1189N 4.10 2.83 -1.27 2.92 2.01 -1.26 -4.73 115.64 120.24 3k1q s THR 1189Ca 0.31 0.75 0.11 0.00 0.31 0.00 0.00 61.69 63.16 3k1q s THR 1189Cb -0.12 -3.48 0.14 0.00 0.01 0.00 0.00 72.50 69.06 3k1q s THR 1189CO 0.19 0.14 0.96 0.18 -0.69 0.00 0.00 174.62 175.39 3k1q n LEU 1190N 1.81 2.18 -3.50 4.42 4.77 0.20 -1.77 117.00 125.11 3k1q n LEU 1190Ca 0.04 -1.26 -0.00 0.00 -0.03 0.00 0.00 56.01 54.76 3k1q n LEU 1190Cb 0.42 -0.06 -0.04 0.00 -2.33 0.00 0.00 43.42 41.41 3k1q n LEU 1190CO 0.59 0.46 0.20 -0.47 -1.33 0.00 0.00 177.39 176.84 3k1q s TYR 1191N -0.95 -1.36 0.23 -1.77 5.04 -1.04 -1.81 117.35 115.69 3k1q s TYR 1191Ca 0.16 2.04 -0.11 0.00 -2.44 0.00 0.00 57.07 56.71 3k1q s TYR 1191Cb 0.10 0.67 0.04 0.00 0.35 0.00 0.00 41.96 43.12 3k1q s TYR 1191CO 0.14 -0.72 0.58 -1.71 -1.34 0.00 0.00 175.55 172.50 3k1q n ASN 1192N 5.44 -1.44 -4.61 4.32 5.15 -0.64 -4.55 115.26 118.93 3k1q n ASN 1192Ca -0.08 -1.94 -0.43 0.00 -0.60 0.00 0.00 54.58 51.53 3k1q n ASN 1192Cb 0.50 2.38 -0.03 0.00 -0.53 0.00 0.00 39.78 42.10 3k1q n ASN 1192CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 3k1q s SER 1193N -2.46 5.91 -0.11 1.20 0.15 -1.26 -2.33 113.70 114.80 3k1q s SER 1193Ca 0.12 1.55 -0.22 0.00 0.70 0.00 0.00 55.95 58.10 3k1q s SER 1193Cb -0.03 -2.52 -0.03 0.00 -1.71 0.00 0.00 66.02 61.72 3k1q s SER 1193CO 0.07 -1.65 0.65 -0.22 1.20 0.00 0.00 173.24 173.28 3k1q s LEU 1194N 6.79 4.26 -0.32 3.45 0.20 0.11 -4.96 118.68 128.20 3k1q s LEU 1194Ca 0.83 1.03 -0.17 0.00 0.69 0.00 0.00 54.13 56.52 3k1q s LEU 1194Cb -0.26 -2.97 -0.02 0.00 -0.43 0.00 0.00 46.19 42.51 3k1q s LEU 1194CO 0.34 -0.15 0.46 -0.31 -0.29 0.00 0.00 176.35 176.40 3k1q s TYR 1195N 1.12 3.21 -0.05 5.38 1.51 -1.26 -2.56 117.35 124.70 3k1q s TYR 1195Ca 0.33 0.26 0.06 0.00 -1.01 0.00 0.00 57.07 56.71 3k1q s TYR 1195Cb -0.17 -2.78 -0.02 0.00 -0.11 0.00 0.00 41.96 38.89 3k1q s TYR 1195CO 0.14 -0.42 -0.24 1.03 -1.11 0.00 0.00 175.55 174.96 3k1q s ARG 1196N 2.25 2.41 0.25 -0.62 0.52 -0.67 -4.86 118.95 118.23 3k1q s ARG 1196Ca 0.17 -0.88 0.12 0.00 -0.52 0.00 0.00 55.73 54.62 3k1q s ARG 1196Cb -0.16 -2.16 -0.05 0.00 0.52 0.00 0.00 34.95 33.10 3k1q s ARG 1196CO 0.12 0.47 -0.21 0.71 0.02 0.00 0.00 175.30 176.41 3k1q s TYR 1197N -0.38 2.31 -0.50 -0.53 1.51 -0.78 -0.26 117.35 118.72 3k1q s TYR 1197Ca 0.03 -0.34 0.03 0.00 -1.01 0.00 0.00 57.07 55.79 3k1q s TYR 1197Cb -0.12 -1.04 0.14 0.00 -0.11 0.00 0.00 41.96 40.82 3k1q s TYR 1197CO 0.02 0.65 0.27 -0.80 -1.11 0.00 0.00 175.55 174.57 3k1q s ASN 1198N -3.25 3.99 -0.22 2.29 0.01 -0.59 -1.44 114.94 115.74 3k1q s ASN 1198Ca 0.27 -2.91 0.01 0.00 -0.71 0.00 0.00 52.86 49.53 3k1q s ASN 1198Cb -0.06 -1.34 0.05 0.00 0.41 0.00 0.00 41.25 40.31 3k1q s ASN 1198CO 0.13 -0.23 -0.10 -0.36 -1.51 0.00 0.00 177.10 175.03 3k1q s PHE 1199N -0.09 2.62 0.34 2.20 0.08 -1.26 -4.72 117.98 117.15 3k1q s PHE 1199Ca 0.18 -1.79 -0.26 0.00 0.12 0.00 0.00 56.93 55.18 3k1q s PHE 1199Cb -0.23 -1.71 -0.09 0.00 -0.57 0.00 0.00 43.02 40.42 3k1q s PHE 1199CO -0.02 -0.78 1.03 0.95 -0.10 0.00 0.00 175.22 176.30 3k1q s THR 1200N 1.32 3.80 -0.64 0.64 -4.23 -1.26 -4.95 115.64 110.33 3k1q s THR 1200Ca -0.04 1.55 -0.16 0.00 -1.18 0.00 0.00 61.69 61.86 3k1q s THR 1200Cb -0.17 -3.88 0.15 0.00 1.34 0.00 0.00 72.50 69.93 3k1q s THR 1200CO -0.07 0.17 0.64 -0.47 -0.54 0.00 0.00 174.62 174.34 3k1q s TYR 1201N -1.48 3.32 0.13 3.99 5.04 -1.26 -2.32 117.35 124.77 3k1q s TYR 1201Ca 0.51 -1.40 -0.15 0.00 -2.44 0.00 0.00 57.07 53.59 3k1q s TYR 1201Cb -0.24 -3.87 -0.07 0.00 0.35 0.00 0.00 41.96 38.13 3k1q s TYR 1201CO 0.30 -1.09 0.55 -1.25 -1.34 0.00 0.00 175.55 172.72 3k1q s PRO 1202N 1.51 4.01 0.66 4.97 0.04 -1.25 -5.05 135.00 139.89 3k1q s PRO 1202Ca 0.10 0.53 -0.17 0.00 0.04 0.00 0.00 61.00 61.49 3k1q s PRO 1202Cb -0.23 -2.98 -0.00 0.00 0.04 0.00 0.00 34.50 31.33 3k1q s PRO 1202CO 0.00 0.50 1.24 0.95 0.04 0.00 0.00 177.00 179.74 3k1q s THR 1203N -1.41 2.29 0.28 1.26 -4.23 -1.26 -4.82 115.64 107.75 3k1q s THR 1203Ca 0.36 0.17 0.01 0.00 -1.18 0.00 0.00 61.69 61.06 3k1q s THR 1203Cb -0.16 -2.97 0.09 0.00 1.34 0.00 0.00 72.50 70.81 3k1q s THR 1203CO 0.19 -0.05 1.75 -0.07 -0.54 0.00 0.00 174.62 175.90 3k1q h LEU 1204N 0.40 0.57 -1.69 4.79 4.07 -1.99 -0.72 115.31 120.74 3k1q h LEU 1204Ca -0.50 -0.16 -0.01 0.00 0.08 0.00 0.00 57.88 57.29 3k1q h LEU 1204Cb 1.31 -0.15 -0.00 0.00 1.08 0.00 0.00 40.66 42.90 3k1q h LEU 1204CO 0.53 0.74 -0.03 0.44 -1.08 0.00 0.00 178.44 179.04 3k1q h ASP 1205N 0.53 0.00 0.17 -0.43 5.19 -1.92 -3.21 116.42 116.74 3k1q h ASP 1205Ca 0.09 0.00 -0.36 0.00 -0.62 0.00 0.00 57.03 56.14 3k1q h ASP 1205Cb 0.56 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.07 3k1q h ASP 1205CO 0.04 0.03 -1.88 1.23 -3.12 0.00 0.00 179.24 175.53 3k1q h GLY 1206N 1.66 0.36 -0.30 2.75 0.00 -1.69 -3.39 103.07 102.47 3k1q h GLY 1206Ca -0.00 -0.92 0.28 0.00 0.00 0.00 0.00 47.33 46.68 3k1q h GLY 1206CO 0.00 0.81 0.61 0.16 0.00 0.00 0.00 176.54 178.13 3k1q h ILE 1207N 0.09 0.45 -3.49 2.60 -0.00 -1.17 -3.42 117.51 112.56 3k1q h ILE 1207Ca -0.39 -0.16 -0.67 0.00 -0.00 0.00 0.00 64.86 63.65 3k1q h ILE 1207Cb 2.06 -0.05 -0.16 0.00 -0.00 0.00 0.00 36.82 38.67 3k1q h ILE 1207CO 0.13 0.08 -0.67 -0.04 -0.00 0.00 0.00 178.15 177.65 3k1q s MET 1208N -5.68 2.69 0.39 0.16 -1.94 -1.26 -4.93 119.30 108.74 3k1q s MET 1208Ca -0.10 -0.64 -0.24 0.00 -1.71 0.00 0.00 55.69 53.00 3k1q s MET 1208Cb 0.28 -2.60 -0.09 0.00 2.01 0.00 0.00 34.83 34.43 3k1q s MET 1208CO 0.80 0.62 1.02 0.71 -0.01 0.00 0.00 175.02 178.16 3k1q s TYR 1209N -1.01 3.34 0.38 -0.03 1.51 -1.14 -4.89 117.35 115.52 3k1q s TYR 1209Ca 0.17 1.66 -0.07 0.00 -1.01 0.00 0.00 57.07 57.82 3k1q s TYR 1209Cb -0.11 -3.05 -0.05 0.00 -0.11 0.00 0.00 41.96 38.64 3k1q s TYR 1209CO 0.08 -0.41 0.70 0.14 -1.11 0.00 0.00 175.55 174.95 3k1q s VAL 1210N -1.73 4.90 -0.44 0.71 -7.23 -1.26 -1.07 120.40 114.27 3k1q s VAL 1210Ca 0.57 0.31 0.03 0.00 -1.81 0.00 0.00 61.98 61.08 3k1q s VAL 1210Cb -0.19 -3.77 0.12 0.00 0.56 0.00 0.00 36.38 33.10 3k1q s VAL 1210CO 0.25 -0.54 0.20 -0.60 -0.31 0.00 0.00 175.10 174.10 3k1q s ARG 1211N -3.98 1.56 0.42 4.82 3.52 -1.11 -4.71 118.95 119.47 3k1q s ARG 1211Ca 0.48 -2.16 0.29 0.00 -0.13 0.00 0.00 55.73 54.21 3k1q s ARG 1211Cb -0.10 -2.88 1.41 0.00 -1.56 0.00 0.00 34.95 31.82 3k1q s ARG 1211CO 0.34 -1.08 1.88 0.77 -0.81 0.00 0.00 175.30 176.40 3k1q h SER 1212N 6.92 0.00 -1.29 -2.12 0.02 -1.97 -3.37 113.55 111.74 3k1q h SER 1212Ca -0.06 0.00 -0.64 0.00 -0.84 0.00 0.00 61.79 60.25 3k1q h SER 1212Cb 0.94 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 63.37 3k1q h SER 1212CO 0.58 0.00 1.56 0.00 -1.14 0.00 0.00 176.83 177.83 3k1q s ALA 1213N -3.63 3.02 -2.17 3.77 0.00 -1.26 -5.02 121.76 116.47 3k1q s ALA 1213Ca -0.00 -2.55 0.17 0.00 0.00 0.00 0.00 51.96 49.58 3k1q s ALA 1213Cb 0.09 -4.47 0.14 0.00 0.00 0.00 0.00 23.12 18.88 3k1q s ALA 1213CO 0.36 -3.41 1.05 0.25 0.00 0.00 0.00 175.76 174.01