#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iyl n ASN 189 N 0.00 4.57 -4.62 0.00 4.05 -1.26 -5.02 115.26 112.98 3iyl n ASN 189 Ca 0.00 -3.24 -0.34 0.00 0.45 0.00 0.00 54.58 51.45 3iyl n ASN 189 Cb 0.00 -1.03 -0.10 0.00 1.23 0.00 0.00 39.78 39.87 3iyl n ASN 189 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 177.26 173.38 3iyl s GLY 190 N -0.85 1.76 0.22 8.20 0.00 -1.26 -4.93 107.32 110.46 3iyl s GLY 190 Ca 0.31 -0.88 -0.32 0.00 0.00 0.00 0.00 44.72 43.83 3iyl s GLY 190 CO -0.06 -0.67 1.39 -1.55 0.00 0.00 0.00 173.10 172.20 3iyl n PRO 191 N 2.07 1.91 -2.05 2.90 -0.04 -1.26 -4.82 135.00 133.70 3iyl n PRO 191 Ca -0.18 0.68 -0.35 0.00 -0.04 0.00 0.00 63.50 63.62 3iyl n PRO 191 Cb 0.53 -2.32 -0.04 0.00 -0.04 0.00 0.00 33.50 31.62 3iyl n PRO 191 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3iyl n GLU 192 N 2.09 2.08 0.00 0.54 0.28 -0.75 -4.81 120.64 120.08 3iyl n GLU 192 Ca 0.12 -2.60 0.00 0.00 -0.16 0.00 0.00 57.16 54.52 3iyl n GLU 192 Cb 0.30 -3.53 0.00 0.00 1.43 0.00 0.00 31.44 29.64 3iyl n GLU 192 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 3iyl n LEU 193 N 11.34 0.11 -4.66 -1.84 4.32 -1.26 -4.69 117.00 120.32 3iyl n LEU 193 Ca 0.47 0.81 -0.42 0.00 -0.02 0.00 0.00 56.01 56.84 3iyl n LEU 193 Cb 0.45 -0.39 -0.03 0.00 -1.62 0.00 0.00 43.42 41.84 3iyl n LEU 193 CO 0.77 -0.39 1.39 0.27 -1.22 0.00 0.00 177.39 178.21 3iyl s ILE 194 N -2.26 3.53 -0.43 -0.08 -4.36 -1.26 -4.92 121.20 111.42 3iyl s ILE 194 Ca 0.00 0.64 0.04 0.00 -0.26 0.00 0.00 60.65 61.08 3iyl s ILE 194 Cb 0.00 -3.42 0.17 0.00 1.25 0.00 0.00 42.46 40.46 3iyl s ILE 194 CO 0.00 -0.06 0.44 -0.63 0.24 0.00 0.00 174.94 174.93 3iyl s ILE 195 N 4.10 -0.17 0.75 8.37 1.01 -1.26 -5.04 121.20 128.95 3iyl s ILE 195 Ca 0.75 -1.80 -0.15 0.00 0.00 0.00 0.00 60.65 59.44 3iyl s ILE 195 Cb -0.34 -0.79 0.05 0.00 0.01 0.00 0.00 42.46 41.38 3iyl s ILE 195 CO 0.31 -0.77 1.24 -0.62 0.00 0.00 0.00 174.94 175.10 3iyl n GLU 196 N 3.25 0.54 -3.60 2.79 1.02 -1.26 -1.43 120.64 121.95 3iyl n GLU 196 Ca 0.22 0.25 -0.16 0.00 -0.02 0.00 0.00 57.16 57.45 3iyl n GLU 196 Cb 0.49 -2.47 -0.14 0.00 -0.02 0.00 0.00 31.44 29.30 3iyl n GLU 196 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3iyl s ASP 197 N -1.83 0.90 -0.09 1.62 3.68 -0.01 -4.58 116.67 116.35 3iyl s ASP 197 Ca 0.77 0.18 -0.02 0.00 2.13 0.00 0.00 52.55 55.61 3iyl s ASP 197 Cb -0.33 0.44 -0.01 0.00 -1.45 0.00 0.00 42.92 41.57 3iyl s ASP 197 CO 0.47 -0.28 0.07 0.74 0.13 0.00 0.00 175.17 176.30 3iyl h THR 198 N 6.32 0.02 -1.29 1.71 2.02 -1.84 -2.22 112.91 117.63 3iyl h THR 198 Ca -0.15 -0.97 -0.66 0.00 0.77 0.00 0.00 66.41 65.40 3iyl h THR 198 Cb 1.13 0.03 0.11 0.00 -1.74 0.00 0.00 68.15 67.68 3iyl h THR 198 CO 0.20 0.01 -0.39 0.61 0.37 0.00 0.00 175.52 176.31 3iyl n GLY 199 N 1.64 -1.44 3.60 2.16 0.00 -1.26 -4.71 105.19 105.18 3iyl n GLY 199 Ca -0.01 0.34 -0.53 0.00 0.00 0.00 0.00 46.02 45.82 3iyl n GLY 199 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3iyl n LEU 200 N 1.84 2.45 -4.60 0.99 -0.00 -1.24 -4.69 117.00 111.76 3iyl n LEU 200 Ca 0.16 0.81 -0.43 0.00 -0.00 0.00 0.00 56.01 56.55 3iyl n LEU 200 Cb 0.26 -1.22 -0.03 0.00 -0.00 0.00 0.00 43.42 42.44 3iyl n LEU 200 CO 0.57 -0.47 1.63 0.00 -0.00 0.00 0.00 177.39 179.12 3iyl s THR 202 N 7.33 0.00 -0.06 0.00 -1.32 -1.26 -4.03 115.64 116.29 3iyl s THR 202 Ca 0.87 -0.01 0.19 0.00 -1.21 0.00 0.00 61.69 61.53 3iyl s THR 202 Cb -0.26 -0.99 0.38 0.00 -1.51 0.00 0.00 72.50 70.12 3iyl s THR 202 CO 0.34 -0.00 1.17 -1.20 -2.21 0.00 0.00 174.62 172.72 3iyl n SER 203 N 1.35 1.17 -3.40 8.08 7.64 -1.26 -3.44 113.62 123.74 3iyl n SER 203 Ca -0.18 -2.58 -0.19 0.00 1.01 0.00 0.00 58.87 56.93 3iyl n SER 203 Cb 0.57 -0.36 -0.10 0.00 -1.01 0.00 0.00 64.21 63.31 3iyl n SER 203 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3iyl s PHE 204 N -1.03 -0.22 0.21 1.43 0.40 -1.26 -1.94 117.98 115.57 3iyl s PHE 204 Ca 0.32 -0.62 -0.16 0.00 -0.60 0.00 0.00 56.93 55.87 3iyl s PHE 204 Cb 0.34 -0.52 -0.08 0.00 0.51 0.00 0.00 43.02 43.27 3iyl s PHE 204 CO -0.12 -0.92 0.64 0.00 0.70 0.00 0.00 175.22 175.52 3iyl s MET 205 N 1.87 4.07 -1.25 0.44 0.23 -0.80 -4.92 119.30 118.94 3iyl s MET 205 Ca 0.13 0.64 -0.17 0.00 -1.03 0.00 0.00 55.69 55.25 3iyl s MET 205 Cb -0.15 -2.82 0.09 0.00 -1.53 0.00 0.00 34.83 30.42 3iyl s MET 205 CO -0.19 0.39 1.63 -0.51 -2.03 0.00 0.00 175.02 174.31 3iyl s LEU 206 N -2.18 4.11 -0.41 0.18 2.01 -1.26 -2.62 118.68 118.52 3iyl s LEU 206 Ca 0.43 -2.48 -0.28 0.00 0.01 0.00 0.00 54.13 51.81 3iyl s LEU 206 Cb -0.15 -2.53 -0.00 0.00 0.01 0.00 0.00 46.19 43.52 3iyl s LEU 206 CO 0.20 -1.10 1.62 -0.22 1.01 0.00 0.00 176.35 177.85 3iyl s LEU 207 N 3.66 3.51 -0.17 1.79 2.96 -0.88 -4.35 118.68 125.20 3iyl s LEU 207 Ca 0.50 0.94 -0.29 0.00 -0.22 0.00 0.00 54.13 55.06 3iyl s LEU 207 Cb 0.02 -3.40 -0.05 0.00 0.50 0.00 0.00 46.19 43.26 3iyl s LEU 207 CO 0.04 -1.66 1.87 -0.62 -1.32 0.00 0.00 176.35 174.67 3iyl s ASP 208 N 5.26 6.12 0.00 3.68 2.15 -1.26 -3.00 116.67 129.61 3iyl s ASP 208 Ca 0.69 1.93 0.00 0.00 0.43 0.00 0.00 52.55 55.60 3iyl s ASP 208 Cb -0.17 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 39.92 3iyl s ASP 208 CO 0.31 -1.43 0.00 -3.20 -0.17 0.00 0.00 175.17 170.69 3iyl n ASN 209 N 9.22 0.00 -3.27 -0.34 2.85 -0.28 -4.84 115.26 118.60 3iyl n ASN 209 Ca 0.22 0.00 -0.44 0.00 -0.11 0.00 0.00 54.58 54.25 3iyl n ASN 209 Cb 0.44 0.00 -0.09 0.00 1.24 0.00 0.00 39.78 41.37 3iyl n ASN 209 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 3iyl n ILE 210 N 0.00 0.00 -1.96 -1.44 2.08 -1.13 -4.70 119.36 112.21 3iyl n ILE 210 Ca 0.00 0.00 -0.34 0.00 0.56 0.00 0.00 62.75 62.97 3iyl n ILE 210 Cb 0.00 -0.38 0.03 0.00 -0.75 0.00 0.00 39.64 38.54 3iyl n ILE 210 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 3iyl s PRO 211 N 4.85 3.03 0.16 0.38 0.04 -1.26 0.18 135.00 142.37 3iyl s PRO 211 Ca 0.93 1.48 -0.30 0.00 0.04 0.00 0.00 61.00 63.15 3iyl s PRO 211 Cb -1.12 -1.97 -0.07 0.00 0.04 0.00 0.00 34.50 31.37 3iyl s PRO 211 CO 0.49 -1.08 1.04 -1.12 0.04 0.00 0.00 177.00 176.37 3iyl s SER 212 N -2.26 7.38 -0.05 6.66 0.01 -1.26 -3.73 113.70 120.46 3iyl s SER 212 Ca 0.69 1.98 -0.30 0.00 1.31 0.00 0.00 55.95 59.63 3iyl s SER 212 Cb -0.22 -2.60 -0.05 0.00 0.21 0.00 0.00 66.02 63.36 3iyl s SER 212 CO 0.36 -0.13 1.48 0.00 0.41 0.00 0.00 173.24 175.35 3iyl s ALA 213 N -0.25 3.62 -0.23 1.44 0.00 -1.26 -4.88 121.76 120.20 3iyl s ALA 213 Ca 0.48 0.84 -0.29 0.00 0.00 0.00 0.00 51.96 52.99 3iyl s ALA 213 Cb -0.27 -3.66 -0.02 0.00 0.00 0.00 0.00 23.12 19.17 3iyl s ALA 213 CO 0.33 -1.14 1.48 -1.01 0.00 0.00 0.00 175.76 175.42 3iyl s HIS 214 N 3.19 2.35 -0.07 0.00 3.76 -1.26 -4.96 115.29 118.30 3iyl s HIS 214 Ca 0.66 0.67 0.04 0.00 -0.15 0.00 0.00 55.06 56.28 3iyl s HIS 214 Cb -0.31 -3.92 0.00 0.00 1.11 0.00 0.00 32.58 29.47 3iyl s HIS 214 CO 0.26 -2.48 -0.18 -0.48 -0.85 0.00 0.00 174.74 171.01 3iyl s LEU 215 N 4.74 1.90 0.00 0.89 2.34 -1.26 -5.02 118.68 122.26 3iyl s LEU 215 Ca 0.65 -0.41 0.00 0.00 0.06 0.00 0.00 54.13 54.43 3iyl s LEU 215 Cb -0.22 -1.09 0.00 0.00 -0.56 0.00 0.00 46.19 44.32 3iyl s LEU 215 CO 0.26 0.13 0.00 0.35 -1.06 0.00 0.00 176.35 176.03 3iyl n THR 216 N 3.44 0.00 0.18 5.48 -2.24 -1.26 -4.78 114.28 115.09 3iyl n THR 216 Ca -0.20 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.50 3iyl n THR 216 Cb 0.52 -0.78 -0.04 0.00 -2.10 0.00 0.00 70.33 67.94 3iyl n THR 216 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3iyl h LYS 217 N 0.00 -0.49 -6.27 -0.78 1.63 -2.04 -3.44 116.57 105.19 3iyl h LYS 217 Ca 0.00 0.03 -0.52 0.00 -0.85 0.00 0.00 60.65 59.31 3iyl h LYS 217 Cb 0.90 0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 32.63 3iyl h LYS 217 CO 0.00 -0.32 -0.24 -2.00 -3.45 0.00 0.00 179.45 173.43 3iyl s GLU 218 N -4.22 2.37 -0.14 1.90 2.12 -1.26 -4.79 118.70 114.67 3iyl s GLU 218 Ca -0.08 -1.74 -0.02 0.00 0.36 0.00 0.00 54.97 53.49 3iyl s GLU 218 Cb 0.01 -2.39 0.00 0.00 0.26 0.00 0.00 34.13 32.01 3iyl s GLU 218 CO 0.25 -0.60 0.09 1.47 -0.54 0.00 0.00 175.26 175.94 3iyl n LEU 219 N -1.90 -0.18 -4.82 2.70 -0.00 -1.26 -4.89 117.00 106.66 3iyl n LEU 219 Ca 0.06 -0.16 -0.33 0.00 -0.00 0.00 0.00 56.01 55.58 3iyl n LEU 219 Cb 0.62 -0.23 -0.04 0.00 -0.00 0.00 0.00 43.42 43.77 3iyl n LEU 219 CO 0.40 0.08 0.68 -0.63 -0.00 0.00 0.00 177.39 177.92 3iyl s ILE 220 N -3.03 4.18 0.00 1.47 1.01 -1.26 -3.89 121.20 119.67 3iyl s ILE 220 Ca 0.02 1.26 0.00 0.00 0.00 0.00 0.00 60.65 61.94 3iyl s ILE 220 Cb -0.01 -3.55 0.00 0.00 0.01 0.00 0.00 42.46 38.90 3iyl s ILE 220 CO 0.14 -0.38 0.00 0.61 0.00 0.00 0.00 174.94 175.30 3iyl n GLY 221 N -0.73 2.79 0.36 6.18 0.00 -1.26 -4.88 105.19 107.64 3iyl n GLY 221 Ca 0.08 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.22 3iyl n GLY 221 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3iyl h PHE 222 N 0.00 1.09 -3.26 1.61 0.04 -1.97 -3.39 116.94 111.06 3iyl h PHE 222 Ca 0.00 0.03 -0.55 0.00 2.80 0.00 0.00 57.97 60.26 3iyl h PHE 222 Cb 0.00 -0.33 -0.37 0.00 2.20 0.00 0.00 35.95 37.45 3iyl h PHE 222 CO 0.00 0.28 -0.80 -0.08 -0.60 0.00 0.00 178.31 177.11 3iyl s THR 223 N -5.88 1.11 -0.11 -1.55 -1.32 -1.26 0.65 115.64 107.28 3iyl s THR 223 Ca -0.11 -0.50 -0.10 0.00 -1.21 0.00 0.00 61.69 59.77 3iyl s THR 223 Cb 0.25 -1.21 -0.05 0.00 -1.51 0.00 0.00 72.50 69.98 3iyl s THR 223 CO 0.80 0.24 0.21 0.26 -2.21 0.00 0.00 174.62 173.93 3iyl s TRP 224 N 1.65 3.59 -0.19 9.09 0.52 -1.09 -4.90 118.94 127.61 3iyl s TRP 224 Ca 0.03 0.61 -0.04 0.00 0.02 0.00 0.00 56.10 56.72 3iyl s TRP 224 Cb -0.14 -2.09 -0.02 0.00 -1.15 0.00 0.00 33.47 30.08 3iyl s TRP 224 CO -0.08 0.60 -0.04 -0.06 0.02 0.00 0.00 176.95 177.39 3iyl s PHE 225 N -0.69 2.97 0.57 -1.98 0.40 -1.26 -4.61 117.98 113.38 3iyl s PHE 225 Ca 0.16 -0.65 0.34 0.00 -0.60 0.00 0.00 56.93 56.19 3iyl s PHE 225 Cb -0.13 -2.04 1.41 0.00 0.51 0.00 0.00 43.02 42.77 3iyl s PHE 225 CO 0.05 -0.33 1.67 0.52 0.70 0.00 0.00 175.22 177.84 3iyl h MET 226 N 7.51 0.00 -0.95 0.44 2.86 -1.98 0.77 114.93 123.57 3iyl h MET 226 Ca -0.36 0.00 0.18 0.00 -2.06 0.00 0.00 59.70 57.46 3iyl h MET 226 Cb 1.18 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 32.75 3iyl h MET 226 CO 0.60 0.00 0.60 0.37 1.06 0.00 0.00 176.91 179.55 3iyl h GLN 227 N 0.00 0.65 0.00 1.72 5.75 -1.93 -0.64 115.11 120.66 3iyl h GLN 227 Ca 0.51 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.97 3iyl h GLN 227 Cb 2.37 -0.15 0.00 0.00 1.07 0.00 0.00 27.48 30.78 3iyl h GLN 227 CO -0.01 0.43 0.00 0.00 -2.65 0.00 0.00 178.83 176.61 3iyl h MET 228 N 0.67 0.00 -0.84 1.69 -0.00 -1.20 -1.06 114.93 114.19 3iyl h MET 228 Ca 0.51 0.00 -0.53 0.00 -0.00 0.00 0.00 59.70 59.68 3iyl h MET 228 Cb 0.89 0.00 -0.29 0.00 -0.00 0.00 0.00 31.60 32.21 3iyl h MET 228 CO -0.27 0.00 0.36 0.66 -0.00 0.00 0.00 176.91 177.66 3iyl n TYR 229 N -2.66 2.73 -3.52 -0.10 4.01 -0.26 -4.94 117.16 112.42 3iyl n TYR 229 Ca -0.00 -2.38 -0.16 0.00 -0.16 0.00 0.00 57.90 55.20 3iyl n TYR 229 Cb 0.18 -0.98 -0.02 0.00 -0.31 0.00 0.00 39.34 38.21 3iyl n TYR 229 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 3iyl n GLN 230 N -0.97 -0.86 -3.35 -0.72 3.00 -0.40 -4.86 117.38 109.22 3iyl n GLN 230 Ca 0.54 -0.11 -0.09 0.00 -0.01 0.00 0.00 57.00 57.33 3iyl n GLN 230 Cb 1.00 -1.01 -0.08 0.00 0.00 0.00 0.00 30.24 30.15 3iyl n GLN 230 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.06 178.47 3iyl s MET 231 N -5.34 0.35 0.14 -1.09 1.75 -1.16 -5.05 119.30 108.91 3iyl s MET 231 Ca 0.09 0.48 -0.34 0.00 -1.25 0.00 0.00 55.69 54.67 3iyl s MET 231 Cb -0.05 -0.47 -0.14 0.00 2.84 0.00 0.00 34.83 37.01 3iyl s MET 231 CO 0.41 -0.69 1.61 0.25 -0.65 0.00 0.00 175.02 175.95 3iyl n THR 232 N 5.36 0.06 -2.07 10.11 -2.24 -1.26 -4.17 114.28 120.06 3iyl n THR 232 Ca -0.03 -0.01 -0.41 0.00 -2.27 0.00 0.00 64.05 61.32 3iyl n THR 232 Cb 0.50 -1.58 -0.03 0.00 -2.10 0.00 0.00 70.33 67.12 3iyl n THR 232 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3iyl s PRO 233 N 1.21 4.30 0.09 -0.78 0.04 -1.26 -4.95 135.00 133.65 3iyl s PRO 233 Ca 0.80 2.22 -0.21 0.00 0.04 0.00 0.00 61.00 63.85 3iyl s PRO 233 Cb -0.67 -3.15 -0.10 0.00 0.04 0.00 0.00 34.50 30.62 3iyl s PRO 233 CO 0.39 -0.39 1.63 -1.00 0.04 0.00 0.00 177.00 177.67 3iyl h PRO 234 N 5.40 0.24 -6.12 0.56 0.13 -1.92 -3.43 132.00 126.86 3iyl h PRO 234 Ca -0.45 -0.04 -0.59 0.00 -0.87 0.00 0.00 66.00 64.05 3iyl h PRO 234 Cb 1.21 -0.04 -0.04 0.00 0.13 0.00 0.00 31.00 32.27 3iyl h PRO 234 CO 0.79 0.31 -0.34 -0.51 -0.23 0.00 0.00 178.00 178.03 3iyl s LEU 235 N -9.86 4.28 0.42 1.56 1.02 -1.26 -4.74 118.68 110.10 3iyl s LEU 235 Ca -0.14 0.54 -0.26 0.00 0.02 0.00 0.00 54.13 54.29 3iyl s LEU 235 Cb 0.07 -3.25 -0.10 0.00 0.02 0.00 0.00 46.19 42.94 3iyl s LEU 235 CO 0.70 0.07 1.44 -0.81 0.02 0.00 0.00 176.35 177.77 3iyl n PRO 236 N 0.14 2.39 -3.94 1.29 -0.04 -1.26 -4.98 135.00 128.60 3iyl n PRO 236 Ca -0.03 0.85 -0.32 0.00 -0.04 0.00 0.00 63.50 63.96 3iyl n PRO 236 Cb 0.52 -2.62 -0.14 0.00 -0.04 0.00 0.00 33.50 31.22 3iyl n PRO 236 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3iyl s GLU 237 N -2.28 1.84 0.23 0.54 2.02 -1.26 -4.65 118.70 115.13 3iyl s GLU 237 Ca 0.58 -2.25 -0.14 0.00 0.02 0.00 0.00 54.97 53.18 3iyl s GLU 237 Cb -0.47 -3.34 0.00 0.00 0.10 0.00 0.00 34.13 30.43 3iyl s GLU 237 CO 0.60 -1.04 0.50 0.20 0.02 0.00 0.00 175.26 175.53 3iyl s GLY 238 N 0.45 0.34 0.64 -1.39 0.00 -1.26 -4.27 107.32 101.83 3iyl s GLY 238 Ca 0.14 -0.69 0.39 0.00 0.00 0.00 0.00 44.72 44.55 3iyl s GLY 238 CO -0.04 -0.52 2.32 0.00 0.00 0.00 0.00 173.10 174.87 3iyl h ALA 239 N 2.24 1.19 -2.28 3.20 0.00 0.17 -3.06 119.26 120.72 3iyl h ALA 239 Ca -0.26 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.56 3iyl h ALA 239 Cb 1.25 -0.00 -0.27 0.00 0.00 0.00 0.00 17.79 18.77 3iyl h ALA 239 CO 0.35 0.00 -0.37 0.08 0.00 0.00 0.00 179.25 179.32 3iyl s VAL 240 N -4.32 -0.68 -0.43 0.00 1.01 -0.13 -4.35 120.40 111.50 3iyl s VAL 240 Ca -0.05 0.10 -0.01 0.00 0.00 0.00 0.00 61.98 62.02 3iyl s VAL 240 Cb 0.14 -0.74 0.12 0.00 0.00 0.00 0.00 36.38 35.90 3iyl s VAL 240 CO 0.47 0.02 0.21 0.20 0.00 0.00 0.00 175.10 176.00 3iyl s ASN 241 N 2.63 5.09 0.52 3.32 0.01 -1.04 -1.13 114.94 124.34 3iyl s ASN 241 Ca 0.02 -2.25 -0.19 0.00 -0.71 0.00 0.00 52.86 49.73 3iyl s ASN 241 Cb -0.13 -1.78 -0.07 0.00 0.41 0.00 0.00 41.25 39.68 3iyl s ASN 241 CO -0.14 -0.46 1.04 -0.13 -1.51 0.00 0.00 177.10 175.89 3iyl s ARG 242 N 0.81 3.67 -0.88 -0.60 1.81 -1.16 -2.95 118.95 119.64 3iyl s ARG 242 Ca 0.11 1.27 -0.08 0.00 -1.72 0.00 0.00 55.73 55.31 3iyl s ARG 242 Cb -0.22 -2.08 0.22 0.00 -0.45 0.00 0.00 34.95 32.43 3iyl s ARG 242 CO -0.05 -0.53 0.80 0.42 -0.68 0.00 0.00 175.30 175.27 3iyl s ILE 243 N -2.18 5.11 0.59 1.52 1.01 0.38 -2.07 121.20 125.56 3iyl s ILE 243 Ca 0.65 -3.12 -0.07 0.00 0.00 0.00 0.00 60.65 58.12 3iyl s ILE 243 Cb -0.16 -4.15 -0.00 0.00 0.01 0.00 0.00 42.46 38.16 3iyl s ILE 243 CO 0.26 -1.06 0.92 0.54 0.00 0.00 0.00 174.94 175.60 3iyl s VAL 244 N -0.58 3.94 -0.18 2.92 0.11 -1.08 -4.67 120.40 120.86 3iyl s VAL 244 Ca 0.23 0.18 -0.04 0.00 -2.93 0.00 0.00 61.98 59.42 3iyl s VAL 244 Cb -0.11 -3.56 -0.03 0.00 -1.53 0.00 0.00 36.38 31.15 3iyl s VAL 244 CO -0.08 -0.61 -0.02 0.00 -3.33 0.00 0.00 175.10 171.05 3iyl s MET 246 N 0.70 0.30 0.08 0.00 -1.94 -0.82 -2.37 119.30 115.24 3iyl s MET 246 Ca -0.01 -0.11 -0.31 0.00 -1.71 0.00 0.00 55.69 53.55 3iyl s MET 246 Cb -0.14 -1.65 -0.08 0.00 2.01 0.00 0.00 34.83 34.96 3iyl s MET 246 CO 0.02 -0.57 1.64 0.99 -0.01 0.00 0.00 175.02 177.09 3iyl s THR 247 N 2.03 3.01 -0.98 2.05 2.01 -1.21 -2.40 115.64 120.16 3iyl s THR 247 Ca 0.02 0.50 0.00 0.00 0.31 0.00 0.00 61.69 62.51 3iyl s THR 247 Cb -0.15 -3.32 0.00 0.00 0.01 0.00 0.00 72.50 69.04 3iyl s THR 247 CO -0.07 0.00 0.00 0.59 -0.69 0.00 0.00 174.62 174.45 3iyl n ASN 248 N 5.44 -4.59 -0.27 3.53 3.02 -1.22 -4.78 115.26 116.39 3iyl n ASN 248 Ca 0.16 0.23 -0.03 0.00 -0.03 0.00 0.00 54.58 54.91 3iyl n ASN 248 Cb 0.40 -2.90 0.03 0.00 -0.61 0.00 0.00 39.78 36.71 3iyl n ASN 248 CO 0.00 0.00 0.00 4.11 -2.62 0.00 0.00 177.26 178.75 3iyl h TRP 249 N 0.00 -0.87 -2.23 3.10 5.08 -1.65 0.92 115.95 120.31 3iyl h TRP 249 Ca -0.19 0.08 -0.77 0.00 1.08 0.00 0.00 58.89 59.10 3iyl h TRP 249 Cb 0.76 0.49 -0.30 0.00 -3.00 0.00 0.00 29.16 27.11 3iyl h TRP 249 CO 0.36 -0.38 0.73 0.00 -1.28 0.00 0.00 178.44 177.87 3iyl n ALA 250 N -3.27 5.86 -3.89 0.11 0.00 -1.26 -4.88 120.51 113.19 3iyl n ALA 250 Ca 0.07 -4.59 -0.29 0.00 0.00 0.00 0.00 53.44 48.64 3iyl n ALA 250 Cb 0.38 -1.91 -0.12 0.00 0.00 0.00 0.00 19.45 17.80 3iyl n ALA 250 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3iyl s SER 251 N -1.72 4.88 0.48 0.00 0.15 0.32 -3.68 113.70 114.13 3iyl s SER 251 Ca 0.42 -3.80 0.27 0.00 0.70 0.00 0.00 55.95 53.54 3iyl s SER 251 Cb 0.23 -1.66 0.84 0.00 -1.71 0.00 0.00 66.02 63.72 3iyl s SER 251 CO -0.15 -0.10 1.79 0.17 1.20 0.00 0.00 173.24 176.15 3iyl h LEU 252 N 5.49 0.00 -8.43 3.45 8.10 -1.86 -3.46 115.31 118.60 3iyl h LEU 252 Ca 0.13 0.00 -0.74 0.00 0.11 0.00 0.00 57.88 57.38 3iyl h LEU 252 Cb 0.76 0.00 0.05 0.00 -0.44 0.00 0.00 40.66 41.03 3iyl h LEU 252 CO 0.73 0.06 0.06 0.61 -4.11 0.00 0.00 178.44 175.78 3iyl n GLY 253 N 0.53 -0.26 3.71 0.17 0.00 -1.26 -4.76 105.19 103.32 3iyl n GLY 253 Ca 0.02 0.71 -0.42 0.00 0.00 0.00 0.00 46.02 46.33 3iyl n GLY 253 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3iyl n ASP 254 N 1.42 3.06 -0.42 1.61 5.75 -1.26 -4.71 116.55 122.00 3iyl n ASP 254 Ca 0.19 1.20 0.00 0.00 -0.01 0.00 0.00 54.79 56.17 3iyl n ASP 254 Cb 0.07 -1.51 0.00 0.00 -1.03 0.00 0.00 41.12 38.65 3iyl n ASP 254 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 3iyl n GLU 255 N 0.84 0.00 -2.06 0.11 4.07 -1.26 -4.70 120.64 117.64 3iyl n GLU 255 Ca 0.05 0.42 -0.30 0.00 -0.06 0.00 0.00 57.16 57.28 3iyl n GLU 255 Cb 0.36 0.00 0.02 0.00 -0.06 0.00 0.00 31.44 31.76 3iyl n GLU 255 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 3iyl s GLY 256 N -0.02 1.62 0.03 8.31 0.00 -1.26 -4.98 107.32 111.02 3iyl s GLY 256 Ca 0.00 -0.27 0.24 0.00 0.00 0.00 0.00 44.72 44.69 3iyl s GLY 256 CO 0.00 0.00 1.27 -2.13 0.00 0.00 0.00 173.10 172.24 3iyl n ARG 257 N -2.70 0.12 0.00 2.90 3.00 -1.26 -4.99 116.66 113.73 3iyl n ARG 257 Ca 0.05 0.02 0.00 0.00 -0.00 0.00 0.00 57.85 57.92 3iyl n ARG 257 Cb 0.55 -1.56 0.00 0.00 0.00 0.00 0.00 32.46 31.46 3iyl n ARG 257 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3iyl n GLY 258 N 1.44 2.89 3.29 5.14 0.00 -1.26 -4.52 105.19 112.18 3iyl n GLY 258 Ca 0.04 -0.75 -0.29 0.00 0.00 0.00 0.00 46.02 45.03 3iyl n GLY 258 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3iyl s LEU 259 N 0.00 2.11 0.23 0.99 0.05 -1.26 -5.06 118.68 115.74 3iyl s LEU 259 Ca 0.00 -0.51 -0.03 0.00 0.05 0.00 0.00 54.13 53.65 3iyl s LEU 259 Cb 0.00 -1.20 -0.03 0.00 -2.05 0.00 0.00 46.19 42.91 3iyl s LEU 259 CO 0.00 0.25 0.23 -1.61 -0.55 0.00 0.00 176.35 174.68 3iyl s GLU 260 N -0.92 1.36 -0.27 1.48 2.02 -1.26 -4.19 118.70 116.91 3iyl s GLU 260 Ca 0.10 -1.59 -0.02 0.00 0.02 0.00 0.00 54.97 53.47 3iyl s GLU 260 Cb -0.09 0.33 0.09 0.00 0.10 0.00 0.00 34.13 34.55 3iyl s GLU 260 CO 0.01 -0.49 0.09 0.54 0.02 0.00 0.00 175.26 175.43 3iyl s VAL 261 N -4.01 0.55 -0.38 2.63 0.11 -1.26 -5.01 120.40 113.02 3iyl s VAL 261 Ca 0.35 -1.02 -0.00 0.00 -2.93 0.00 0.00 61.98 58.38 3iyl s VAL 261 Cb 0.05 -1.33 0.11 0.00 -1.53 0.00 0.00 36.38 33.67 3iyl s VAL 261 CO 0.13 -0.57 0.15 -0.13 -3.33 0.00 0.00 175.10 171.35 3iyl s ARG 262 N 1.80 1.81 0.22 1.54 1.81 -1.26 -3.33 118.95 121.54 3iyl s ARG 262 Ca 0.07 -1.85 -0.30 0.00 -1.72 0.00 0.00 55.73 51.93 3iyl s ARG 262 Cb -0.17 -3.44 -0.09 0.00 -0.45 0.00 0.00 34.95 30.80 3iyl s ARG 262 CO -0.24 -1.02 1.21 -0.51 -0.68 0.00 0.00 175.30 174.05 3iyl s LEU 263 N 1.03 4.46 0.20 2.53 2.01 -1.00 -5.01 118.68 122.91 3iyl s LEU 263 Ca 0.09 2.31 -0.24 0.00 0.01 0.00 0.00 54.13 56.31 3iyl s LEU 263 Cb -0.21 -3.62 -0.08 0.00 0.01 0.00 0.00 46.19 42.29 3iyl s LEU 263 CO -0.06 -0.37 0.78 -2.16 1.01 0.00 0.00 176.35 175.56 3iyl s PRO 264 N -0.60 4.49 0.39 1.29 0.04 -1.26 -4.62 135.00 134.73 3iyl s PRO 264 Ca 0.51 1.11 -0.20 0.00 0.04 0.00 0.00 61.00 62.46 3iyl s PRO 264 Cb -0.34 -3.12 -0.15 0.00 0.04 0.00 0.00 34.50 30.94 3iyl s PRO 264 CO 0.39 0.50 0.07 -0.35 0.04 0.00 0.00 177.00 177.65 3iyl n PRO 265 N 1.26 0.00 -0.42 0.56 -0.04 -1.26 -4.55 135.00 130.55 3iyl n PRO 265 Ca -0.04 0.00 0.34 0.00 -0.04 0.00 0.00 63.50 63.76 3iyl n PRO 265 Cb 0.49 -0.95 0.63 0.00 -0.04 0.00 0.00 33.50 33.63 3iyl n PRO 265 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 3iyl h PRO 266 N 0.29 0.13 -0.96 0.54 0.11 -1.94 1.53 132.00 131.70 3iyl h PRO 266 Ca -0.35 -0.01 0.26 0.00 0.11 0.00 0.00 66.00 66.00 3iyl h PRO 266 Cb 1.38 -0.03 -0.06 0.00 0.11 0.00 0.00 31.00 32.40 3iyl h PRO 266 CO 0.44 0.09 0.66 1.15 -0.21 0.00 0.00 178.00 180.13 3iyl h THR 267 N 0.14 0.56 -2.74 -1.15 2.02 -1.85 -2.91 112.91 106.98 3iyl h THR 267 Ca 0.78 -0.06 -0.19 0.00 0.77 0.00 0.00 66.41 67.71 3iyl h THR 267 Cb 2.39 0.37 0.08 0.00 -1.74 0.00 0.00 68.15 69.24 3iyl h THR 267 CO -0.39 0.03 0.17 0.47 0.37 0.00 0.00 175.52 176.17 3iyl n ASP 268 N -4.39 -0.19 0.00 4.18 8.00 0.52 -4.77 116.55 119.90 3iyl n ASP 268 Ca 0.21 -1.15 -0.00 0.00 0.71 0.00 0.00 54.79 54.56 3iyl n ASP 268 Cb 0.91 -0.45 -0.00 0.00 -0.02 0.00 0.00 41.12 41.56 3iyl n ASP 268 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 3iyl h SER 269 N -0.92 -0.01 0.00 -2.24 0.87 -1.79 -3.44 113.55 106.02 3iyl h SER 269 Ca -0.19 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.37 3iyl h SER 269 Cb 0.53 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.49 3iyl h SER 269 CO 0.13 0.03 0.00 -0.24 -0.53 0.00 0.00 176.83 176.22 3iyl n SER 270 N -2.24 0.00 -0.30 6.23 2.88 -1.26 -4.75 113.62 114.17 3iyl n SER 270 Ca -0.00 0.00 0.35 0.00 -1.33 0.00 0.00 58.87 57.89 3iyl n SER 270 Cb 0.00 0.00 0.70 0.00 -0.75 0.00 0.00 64.21 64.17 3iyl n SER 270 CO 0.00 0.00 0.00 -0.37 -1.23 0.00 0.00 175.04 173.44 3iyl h VAL 271 N 0.00 0.24 -0.02 2.46 -1.51 -1.90 0.18 116.25 115.70 3iyl h VAL 271 Ca 0.00 0.00 0.01 0.00 -1.23 0.00 0.00 66.70 65.48 3iyl h VAL 271 Cb 0.00 0.29 -0.00 0.00 -2.13 0.00 0.00 31.29 29.45 3iyl h VAL 271 CO 0.00 0.00 0.02 1.12 -1.23 0.00 0.00 177.57 177.48 3iyl h HIS 272 N 0.00 0.00 0.00 5.19 2.07 -1.88 -1.19 115.15 119.34 3iyl h HIS 272 Ca 0.56 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.08 3iyl h HIS 272 Cb 2.49 0.00 0.00 0.00 2.57 0.00 0.00 27.41 32.47 3iyl h HIS 272 CO 0.00 0.00 0.00 0.00 -3.07 0.00 0.00 177.93 174.86 3iyl n ALA 273 N -2.28 2.42 0.21 6.11 0.00 0.63 -3.69 120.51 123.91 3iyl n ALA 273 Ca -0.03 -0.13 0.04 0.00 0.00 0.00 0.00 53.44 53.33 3iyl n ALA 273 Cb 0.11 -1.48 0.06 0.00 0.00 0.00 0.00 19.45 18.14 3iyl n ALA 273 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3iyl n TYR 274 N -1.36 0.12 -1.08 0.00 4.02 -0.45 -4.67 117.16 113.74 3iyl n TYR 274 Ca 0.12 -0.16 -0.26 0.00 -0.01 0.00 0.00 57.90 57.59 3iyl n TYR 274 Cb 0.28 -0.01 0.09 0.00 -0.02 0.00 0.00 39.34 39.68 3iyl n TYR 274 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 3iyl n LYS 275 N 0.44 2.28 0.00 -0.72 5.02 -1.23 -4.60 118.16 119.36 3iyl n LYS 275 Ca 0.07 -2.65 0.09 0.00 -2.02 0.00 0.00 58.31 53.80 3iyl n LYS 275 Cb 0.28 -2.04 0.51 0.00 -0.02 0.00 0.00 35.03 33.76 3iyl n LYS 275 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 3iyl n THR 276 N -0.61 0.14 -3.84 -0.18 5.66 -1.26 -4.21 114.28 109.98 3iyl n THR 276 Ca 0.51 0.04 -0.07 0.00 -3.05 0.00 0.00 64.05 61.48 3iyl n THR 276 Cb 0.89 -0.75 -0.01 0.00 -1.55 0.00 0.00 70.33 68.92 3iyl n THR 276 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3iyl s VAL 277 N -2.17 0.00 -0.62 1.08 0.11 -1.26 -4.94 120.40 112.60 3iyl s VAL 277 Ca 0.24 -0.98 -0.02 0.00 -2.93 0.00 0.00 61.98 58.30 3iyl s VAL 277 Cb 0.12 -2.27 0.02 0.00 -1.53 0.00 0.00 36.38 32.72 3iyl s VAL 277 CO 0.23 0.00 0.05 0.18 -3.33 0.00 0.00 175.10 172.22 3iyl n LEU 278 N -0.49 -0.36 0.00 2.54 4.32 -1.26 -4.41 117.00 117.34 3iyl n LEU 278 Ca -0.05 -0.49 0.00 0.00 -0.02 0.00 0.00 56.01 55.45 3iyl n LEU 278 Cb 0.59 -0.61 0.00 0.00 -1.62 0.00 0.00 43.42 41.78 3iyl n LEU 278 CO 0.18 0.15 0.00 -1.20 -1.22 0.00 0.00 177.39 175.31 3iyl n SER 279 N -0.83 -0.01 0.00 -1.43 7.64 -1.26 -4.85 113.62 112.88 3iyl n SER 279 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.79 3iyl n SER 279 Cb 0.25 0.33 0.00 0.00 -1.01 0.00 0.00 64.21 63.78 3iyl n SER 279 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 3iyl n ARG 280 N -2.50 0.00 -2.31 1.43 0.63 -1.26 0.64 116.66 113.28 3iyl n ARG 280 Ca 0.00 0.00 -0.32 0.00 -0.92 0.00 0.00 57.85 56.61 3iyl n ARG 280 Cb 0.00 0.00 0.01 0.00 0.45 0.00 0.00 32.46 32.92 3iyl n ARG 280 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3iyl n GLY 281 N 0.00 5.83 2.04 5.14 0.00 -1.26 -4.72 105.19 112.22 3iyl n GLY 281 Ca 0.00 -2.67 0.00 0.00 0.00 0.00 0.00 46.02 43.35 3iyl n GLY 281 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3iyl n TYR 282 N -0.48 -1.98 -3.12 1.61 9.36 0.21 -5.06 117.16 117.69 3iyl n TYR 282 Ca 0.44 0.39 -0.41 0.00 3.32 0.00 0.00 57.90 61.64 3iyl n TYR 282 Cb 0.50 1.09 -0.07 0.00 -0.63 0.00 0.00 39.34 40.23 3iyl n TYR 282 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 3iyl s ILE 283 N -2.00 4.95 0.49 2.97 2.07 -1.19 -4.99 121.20 123.50 3iyl s ILE 283 Ca 0.00 0.84 -0.22 0.00 -1.41 0.00 0.00 60.65 59.87 3iyl s ILE 283 Cb 0.00 -3.99 -0.09 0.00 0.13 0.00 0.00 42.46 38.51 3iyl s ILE 283 CO 0.00 -0.13 0.91 -0.67 -1.91 0.00 0.00 174.94 173.14 3iyl n ASP 284 N 5.86 0.74 0.00 4.50 -0.08 -1.26 -4.81 116.55 121.49 3iyl n ASP 284 Ca -0.01 0.93 0.00 0.00 -1.51 0.00 0.00 54.79 54.20 3iyl n ASP 284 Cb 0.49 -1.33 0.00 0.00 2.34 0.00 0.00 41.12 42.62 3iyl n ASP 284 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 3iyl n ASN 285 N 0.20 0.00 -0.16 1.67 3.02 -1.26 -1.26 115.26 117.47 3iyl n ASN 285 Ca 0.11 0.38 0.07 0.00 -0.03 0.00 0.00 54.58 55.10 3iyl n ASN 285 Cb 0.42 -0.13 0.14 0.00 -0.61 0.00 0.00 39.78 39.60 3iyl n ASN 285 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3iyl n ALA 286 N -1.64 0.24 -2.20 5.41 0.00 -1.26 -4.59 120.51 116.47 3iyl n ALA 286 Ca 0.00 0.50 -0.18 0.00 0.00 0.00 0.00 53.44 53.76 3iyl n ALA 286 Cb 0.00 -0.37 0.13 0.00 0.00 0.00 0.00 19.45 19.21 3iyl n ALA 286 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3iyl n GLN 287 N -4.51 -0.45 -3.74 0.00 6.02 -0.39 -4.38 117.38 109.93 3iyl n GLN 287 Ca 0.11 -1.98 -0.15 0.00 -0.01 0.00 0.00 57.00 54.97 3iyl n GLN 287 Cb 0.36 -0.79 -0.15 0.00 1.02 0.00 0.00 30.24 30.68 3iyl n GLN 287 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 177.06 175.46 3iyl s PHE 288 N -2.87 -0.09 -0.61 1.08 -0.12 -1.02 -4.81 117.98 109.55 3iyl s PHE 288 Ca 0.57 0.36 -0.26 0.00 -0.05 0.00 0.00 56.93 57.56 3iyl s PHE 288 Cb -0.02 -0.18 -0.06 0.00 -0.63 0.00 0.00 43.02 42.13 3iyl s PHE 288 CO 0.39 -0.15 2.21 1.21 -0.05 0.00 0.00 175.22 178.82 3iyl s ASN 289 N 1.31 4.66 0.46 1.98 3.84 -1.26 -3.60 114.94 122.32 3iyl s ASN 289 Ca -0.07 0.54 0.21 0.00 0.21 0.00 0.00 52.86 53.76 3iyl s ASN 289 Cb -0.12 -2.52 1.14 0.00 -0.55 0.00 0.00 41.25 39.20 3iyl s ASN 289 CO -0.05 -2.88 1.97 1.55 -2.79 0.00 0.00 177.10 174.91 3iyl h PRO 290 N 16.46 0.00 -0.19 0.43 0.13 -1.88 -2.99 132.00 143.95 3iyl h PRO 290 Ca -0.18 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.91 3iyl h PRO 290 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 3iyl h PRO 290 CO 1.16 0.20 -0.05 -0.07 -0.23 0.00 0.00 178.00 179.02 3iyl h LEU 291 N 0.00 0.38 -3.72 1.56 -0.00 -1.87 -3.11 115.31 108.54 3iyl h LEU 291 Ca -0.00 -0.37 -0.50 0.00 -0.00 0.00 0.00 57.88 57.01 3iyl h LEU 291 Cb 0.46 -0.10 -0.22 0.00 -0.00 0.00 0.00 40.66 40.80 3iyl h LEU 291 CO 0.03 0.65 0.64 0.00 -0.00 0.00 0.00 178.44 179.76 3iyl n ALA 292 N -2.36 5.67 0.24 1.53 0.00 -1.14 -1.48 120.51 122.96 3iyl n ALA 292 Ca -0.05 -2.57 -0.15 0.00 0.00 0.00 0.00 53.44 50.67 3iyl n ALA 292 Cb 0.28 -1.56 -0.08 0.00 0.00 0.00 0.00 19.45 18.08 3iyl n ALA 292 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3iyl h LEU 293 N 2.12 -0.49 -0.47 0.00 5.85 -1.46 -3.07 115.31 117.79 3iyl h LEU 293 Ca 0.46 -0.04 0.04 0.00 0.84 0.00 0.00 57.88 59.18 3iyl h LEU 293 Cb 1.02 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 42.14 3iyl h LEU 293 CO 1.16 -0.27 0.24 -0.09 -0.34 0.00 0.00 178.44 179.15 3iyl h ARG 294 N -0.67 0.47 -0.54 1.25 2.43 -1.78 -0.49 114.38 115.04 3iyl h ARG 294 Ca -0.06 -0.03 0.16 0.00 -0.81 0.00 0.00 59.98 59.24 3iyl h ARG 294 Cb 0.49 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.92 3iyl h ARG 294 CO 0.10 0.31 0.58 1.03 -1.51 0.00 0.00 179.97 180.48 3iyl h SER 295 N 0.48 0.00 0.04 -3.80 0.87 -1.74 -1.20 113.55 108.20 3iyl h SER 295 Ca 0.20 0.00 -0.38 0.00 -1.23 0.00 0.00 61.79 60.38 3iyl h SER 295 Cb 0.10 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.01 3iyl h SER 295 CO -0.14 0.00 -2.23 0.59 -0.53 0.00 0.00 176.83 174.52 3iyl n ASN 296 N -3.64 2.02 0.05 6.23 3.02 -0.35 -2.94 115.26 119.64 3iyl n ASN 296 Ca 0.10 0.08 0.08 0.00 -0.03 0.00 0.00 54.58 54.82 3iyl n ASN 296 Cb 0.79 -0.66 0.35 0.00 -0.61 0.00 0.00 39.78 39.65 3iyl n ASN 296 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3iyl n VAL 297 N -3.56 1.04 -0.11 2.41 0.31 -0.34 -1.06 118.33 117.03 3iyl n VAL 297 Ca -0.41 0.29 -0.24 0.00 -0.01 0.00 0.00 64.34 63.96 3iyl n VAL 297 Cb 0.97 -1.13 -0.11 0.00 -0.91 0.00 0.00 33.84 32.66 3iyl n VAL 297 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 3iyl n LEU 298 N -1.76 2.28 0.29 7.52 0.00 -0.49 -3.17 117.00 121.67 3iyl n LEU 298 Ca 0.03 0.23 0.17 0.00 0.00 0.00 0.00 56.01 56.43 3iyl n LEU 298 Cb 0.17 -0.93 0.90 0.00 0.00 0.00 0.00 43.42 43.56 3iyl n LEU 298 CO 0.14 0.63 1.07 0.25 0.00 0.00 0.00 177.39 179.48 3iyl h LEU 299 N -0.60 0.00 0.00 -1.96 5.85 -1.38 -0.12 115.31 117.11 3iyl h LEU 299 Ca -0.55 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 57.98 3iyl h LEU 299 Cb 1.68 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.67 3iyl h LEU 299 CO -0.22 0.05 -1.54 0.80 -0.34 0.00 0.00 178.44 177.19 3iyl n MET 300 N -3.48 0.63 0.09 1.25 1.56 -0.22 -3.27 117.12 113.68 3iyl n MET 300 Ca -0.02 0.21 -0.08 0.00 -0.27 0.00 0.00 57.70 57.54 3iyl n MET 300 Cb 0.16 -1.78 -0.03 0.00 2.15 0.00 0.00 33.22 33.72 3iyl n MET 300 CO 0.00 0.00 0.00 -0.07 -0.73 0.00 0.00 175.97 175.17 3iyl h LEU 301 N 0.00 0.14 -0.60 -0.89 3.38 -1.20 0.11 115.31 116.25 3iyl h LEU 301 Ca -0.20 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.60 3iyl h LEU 301 Cb 1.67 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 42.35 3iyl h LEU 301 CO 0.05 0.98 0.20 0.25 0.09 0.00 0.00 178.44 180.01 3iyl h LEU 302 N 0.05 0.86 -1.28 1.67 6.46 -1.20 -1.22 115.31 120.65 3iyl h LEU 302 Ca -0.03 -0.20 0.03 0.00 -0.12 0.00 0.00 57.88 57.56 3iyl h LEU 302 Cb 1.58 -0.23 -0.04 0.00 -0.73 0.00 0.00 40.66 41.25 3iyl h LEU 302 CO 0.13 0.83 0.50 -0.61 -0.62 0.00 0.00 178.44 178.67 3iyl h GLN 303 N 0.85 0.92 0.00 1.25 4.15 -1.43 -0.68 115.11 120.17 3iyl h GLN 303 Ca 0.20 -0.06 -0.04 0.00 0.77 0.00 0.00 58.65 59.52 3iyl h GLN 303 Cb 0.27 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.74 3iyl h GLN 303 CO -0.01 0.61 -0.20 0.35 -1.93 0.00 0.00 178.83 177.65 3iyl h PHE 304 N 0.95 0.00 0.00 3.99 3.57 0.24 -2.94 116.94 122.74 3iyl h PHE 304 Ca 0.30 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.80 3iyl h PHE 304 Cb 0.01 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.75 3iyl h PHE 304 CO -0.00 0.20 -0.11 1.15 -2.23 0.00 0.00 178.31 177.32 3iyl h THR 305 N 0.00 0.00 -1.09 4.41 2.02 -0.04 -3.31 112.91 114.91 3iyl h THR 305 Ca -0.00 -0.67 0.33 0.00 0.77 0.00 0.00 66.41 66.84 3iyl h THR 305 Cb 0.62 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.90 3iyl h THR 305 CO 0.03 0.00 0.67 -0.07 0.37 0.00 0.00 175.52 176.51 3iyl h LEU 306 N -0.67 0.45 -2.29 2.58 4.07 -1.48 1.39 115.31 119.35 3iyl h LEU 306 Ca 0.00 0.14 -0.01 0.00 0.08 0.00 0.00 57.88 58.09 3iyl h LEU 306 Cb 0.11 0.09 -0.00 0.00 1.08 0.00 0.00 40.66 41.93 3iyl h LEU 306 CO 0.00 -0.06 -0.05 0.77 -1.08 0.00 0.00 178.44 178.02 3iyl h SER 307 N 0.31 0.00 -0.68 -0.43 4.64 -1.66 -1.88 113.55 113.85 3iyl h SER 307 Ca 0.71 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.03 3iyl h SER 307 Cb 1.80 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.89 3iyl h SER 307 CO -0.46 0.05 0.00 0.59 -0.87 0.00 0.00 176.83 176.13 3iyl n ASN 308 N -3.52 3.84 -3.42 4.97 4.13 0.47 -4.71 115.26 117.03 3iyl n ASN 308 Ca -0.02 -2.08 -0.40 0.00 1.68 0.00 0.00 54.58 53.76 3iyl n ASN 308 Cb 0.16 -0.48 -0.02 0.00 -1.54 0.00 0.00 39.78 37.90 3iyl n ASN 308 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3iyl n LEU 309 N 1.43 8.34 -4.48 3.41 4.77 -0.71 -4.10 117.00 125.66 3iyl n LEU 309 Ca 0.23 -4.60 -0.25 0.00 -0.03 0.00 0.00 56.01 51.36 3iyl n LEU 309 Cb 0.63 -1.47 -0.10 0.00 -2.33 0.00 0.00 43.42 40.15 3iyl n LEU 309 CO 0.17 2.02 -0.47 -0.54 -1.33 0.00 0.00 177.39 177.24 3iyl s LYS 310 N 0.67 1.73 0.07 3.23 1.02 -1.26 -4.82 119.74 120.37 3iyl s LYS 310 Ca 0.61 -1.64 -0.17 0.00 0.02 0.00 0.00 55.97 54.79 3iyl s LYS 310 Cb 0.18 -1.85 -0.06 0.00 -0.52 0.00 0.00 37.83 35.57 3iyl s LYS 310 CO -0.07 0.36 0.52 0.42 -0.92 0.00 0.00 175.35 175.65 3iyl s ILE 311 N -2.24 4.84 -0.87 2.17 1.01 -0.51 -4.77 121.20 120.84 3iyl s ILE 311 Ca 0.28 1.02 -0.25 0.00 0.00 0.00 0.00 60.65 61.70 3iyl s ILE 311 Cb -0.06 -3.81 0.04 0.00 0.01 0.00 0.00 42.46 38.64 3iyl s ILE 311 CO 0.14 0.49 1.34 0.20 0.00 0.00 0.00 174.94 177.11 3iyl s ASN 312 N -1.25 6.33 0.37 3.58 0.01 -1.26 -0.83 114.94 121.89 3iyl s ASN 312 Ca 0.30 -0.97 -0.25 0.00 -0.71 0.00 0.00 52.86 51.23 3iyl s ASN 312 Cb -0.18 -2.56 -0.09 0.00 0.41 0.00 0.00 41.25 38.84 3iyl s ASN 312 CO 0.18 -1.66 1.04 -0.75 -1.51 0.00 0.00 177.10 174.40 3iyl s LYS 313 N 5.26 4.28 0.35 -0.60 2.20 -0.84 -0.90 119.74 129.48 3iyl s LYS 313 Ca 0.40 1.53 -0.25 0.00 -0.36 0.00 0.00 55.97 57.28 3iyl s LYS 313 Cb -0.05 -2.66 -0.10 0.00 -1.51 0.00 0.00 37.83 33.52 3iyl s LYS 313 CO 0.03 -0.05 0.98 0.45 -0.36 0.00 0.00 175.35 176.40 3iyl s SER 314 N -1.47 7.17 0.04 1.43 0.15 0.71 -4.45 113.70 117.27 3iyl s SER 314 Ca 0.55 1.90 0.00 0.00 0.70 0.00 0.00 55.95 59.10 3iyl s SER 314 Cb -0.23 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.50 3iyl s SER 314 CO 0.29 -0.20 0.03 -1.20 1.20 0.00 0.00 173.24 173.37 3iyl n SER 315 N 0.36 0.92 -4.39 5.45 7.64 -1.26 -4.94 113.62 117.40 3iyl n SER 315 Ca 0.03 -1.12 -0.44 0.00 1.01 0.00 0.00 58.87 58.35 3iyl n SER 315 Cb 0.50 -0.01 -0.04 0.00 -1.01 0.00 0.00 64.21 63.65 3iyl n SER 315 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 3iyl s THR 316 N 0.01 4.72 -0.49 0.44 -1.32 -1.26 -5.02 115.64 112.71 3iyl s THR 316 Ca 0.02 -0.88 -0.29 0.00 -1.21 0.00 0.00 61.69 59.34 3iyl s THR 316 Cb -0.00 -4.53 0.03 0.00 -1.51 0.00 0.00 72.50 66.48 3iyl s THR 316 CO 0.01 -1.20 1.21 -0.36 -2.21 0.00 0.00 174.62 172.07 3iyl s PHE 317 N 2.97 2.68 0.21 9.09 0.40 -1.26 -3.44 117.98 128.62 3iyl s PHE 317 Ca 0.14 0.63 0.05 0.00 -0.60 0.00 0.00 56.93 57.15 3iyl s PHE 317 Cb -0.22 -4.44 -0.03 0.00 0.51 0.00 0.00 43.02 38.83 3iyl s PHE 317 CO 0.07 -1.49 0.24 0.95 0.70 0.00 0.00 175.22 175.70 3iyl s THR 318 N 4.81 4.85 1.17 0.64 -4.23 -1.14 -4.96 115.64 116.77 3iyl s THR 318 Ca 0.49 -1.07 -0.20 0.00 -1.18 0.00 0.00 61.69 59.73 3iyl s THR 318 Cb -0.08 -3.57 0.29 0.00 1.34 0.00 0.00 72.50 70.48 3iyl s THR 318 CO 0.30 -0.24 1.03 -1.20 -0.54 0.00 0.00 174.62 173.98 3iyl n SER 319 N -0.92 -2.07 -3.89 3.99 7.64 -1.26 -3.61 113.62 113.49 3iyl n SER 319 Ca -0.08 -1.13 -0.30 0.00 1.01 0.00 0.00 58.87 58.37 3iyl n SER 319 Cb 0.56 -0.95 -0.14 0.00 -1.01 0.00 0.00 64.21 62.67 3iyl n SER 319 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3iyl s ASP 320 N -4.28 4.15 0.58 6.43 2.15 -0.43 -4.82 116.67 120.45 3iyl s ASP 320 Ca 0.67 -2.89 0.34 0.00 0.43 0.00 0.00 52.55 51.10 3iyl s ASP 320 Cb -0.07 -1.48 1.74 0.00 -0.30 0.00 0.00 42.92 42.81 3iyl s ASP 320 CO 0.52 -0.24 2.15 0.58 -0.17 0.00 0.00 175.17 178.00 3iyl h VAL 321 N 5.46 0.25 -4.19 1.11 2.07 -1.91 0.65 116.25 119.69 3iyl h VAL 321 Ca -0.06 -0.35 -0.49 0.00 0.82 0.00 0.00 66.70 66.62 3iyl h VAL 321 Cb 0.90 1.27 0.06 0.00 -1.52 0.00 0.00 31.29 32.01 3iyl h VAL 321 CO 0.63 0.05 0.38 0.28 0.02 0.00 0.00 177.57 178.93 3iyl s THR 322 N -4.06 3.79 -1.10 2.57 -1.32 -1.26 -4.81 115.64 109.44 3iyl s THR 322 Ca -0.03 0.87 0.21 0.00 -1.21 0.00 0.00 61.69 61.53 3iyl s THR 322 Cb 0.12 -3.38 0.22 0.00 -1.51 0.00 0.00 72.50 67.95 3iyl s THR 322 CO 0.52 -0.48 1.66 1.07 -2.21 0.00 0.00 174.62 175.18 3iyl n THR 323 N -1.96 0.54 -0.06 5.08 5.66 -1.26 -2.54 114.28 119.73 3iyl n THR 323 Ca 0.09 0.13 0.07 0.00 -3.05 0.00 0.00 64.05 61.29 3iyl n THR 323 Cb 0.53 -0.78 0.44 0.00 -1.55 0.00 0.00 70.33 68.96 3iyl n THR 323 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 175.07 172.42 3iyl h ILE 324 N 0.00 1.02 0.00 1.09 2.04 -1.93 -3.20 117.51 116.54 3iyl h ILE 324 Ca 0.00 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.67 3iyl h ILE 324 Cb 0.31 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 3iyl h ILE 324 CO 0.00 0.10 0.00 0.35 0.00 0.00 0.00 178.15 178.60 3iyl n THR 325 N -4.47 0.23 -3.47 -0.27 -2.24 -1.24 -4.94 114.28 97.88 3iyl n THR 325 Ca 0.07 -0.29 -0.19 0.00 -2.27 0.00 0.00 64.05 61.36 3iyl n THR 325 Cb 0.19 1.11 0.00 0.00 -2.10 0.00 0.00 70.33 69.54 3iyl n THR 325 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3iyl n SER 326 N -0.12 -3.13 0.00 3.42 3.41 -1.05 -2.48 113.62 113.67 3iyl n SER 326 Ca 0.00 -0.70 0.00 0.00 -0.26 0.00 0.00 58.87 57.91 3iyl n SER 326 Cb 0.32 -1.07 0.00 0.00 -0.26 0.00 0.00 64.21 63.21 3iyl n SER 326 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3iyl n GLY 327 N -1.34 3.10 0.60 5.00 0.00 0.23 -4.95 105.19 107.82 3iyl n GLY 327 Ca -0.20 -0.93 -0.08 0.00 0.00 0.00 0.00 46.02 44.82 3iyl n GLY 327 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iyl n ARG 328 N 0.00 0.00 -1.11 1.61 5.12 -1.03 -1.31 116.66 119.94 3iyl n ARG 328 Ca 0.00 0.00 -0.15 0.00 -1.93 0.00 0.00 57.85 55.77 3iyl n ARG 328 Cb 0.00 -0.20 0.24 0.00 -1.16 0.00 0.00 32.46 31.34 3iyl n ARG 328 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 3iyl n MET 329 N 0.50 2.95 -1.40 5.56 2.81 -1.26 -1.48 117.12 124.80 3iyl n MET 329 Ca -0.00 -2.97 -0.42 0.00 -1.81 0.00 0.00 57.70 52.50 3iyl n MET 329 Cb 0.14 -2.18 0.00 0.00 -0.71 0.00 0.00 33.22 30.48 3iyl n MET 329 CO 0.00 0.00 0.00 0.44 1.51 0.00 0.00 175.97 177.92 3iyl n ILE 330 N -0.62 1.41 -2.96 2.02 -5.35 -1.24 -3.60 119.36 109.02 3iyl n ILE 330 Ca 0.50 -0.50 -0.43 0.00 -0.27 0.00 0.00 62.75 62.04 3iyl n ILE 330 Cb 1.51 -0.32 -0.05 0.00 -1.74 0.00 0.00 39.64 39.05 3iyl n ILE 330 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3iyl s ARG 331 N -1.33 3.28 0.34 6.28 3.52 -1.26 -2.88 118.95 126.89 3iyl s ARG 331 Ca 0.62 -0.42 -0.29 0.00 -0.13 0.00 0.00 55.73 55.51 3iyl s ARG 331 Cb -0.64 -4.05 -0.10 0.00 -1.56 0.00 0.00 34.95 28.60 3iyl s ARG 331 CO 0.60 -1.34 1.38 0.00 -0.81 0.00 0.00 175.30 175.12 3iyl s ALA 332 N 3.44 3.53 0.00 6.12 0.00 -1.22 -4.96 121.76 128.67 3iyl s ALA 332 Ca 0.26 1.37 0.00 0.00 0.00 0.00 0.00 51.96 53.58 3iyl s ALA 332 Cb -0.14 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.45 3iyl s ALA 332 CO 0.18 -0.78 0.00 1.19 0.00 0.00 0.00 175.76 176.35 3iyl n PHE 333 N 0.84 0.00 0.00 0.00 3.01 -1.26 -4.59 117.46 115.46 3iyl n PHE 333 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.47 3iyl n PHE 333 Cb 0.41 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.88 3iyl n PHE 333 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 3iyl n PRO 337 N 0.00 0.00 0.01 -1.08 -0.04 -1.26 -5.07 135.00 127.56 3iyl n PRO 337 Ca 0.00 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.57 3iyl n PRO 337 Cb 0.00 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.46 3iyl n PRO 337 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3iyl n GLU 338 N 0.00 0.12 0.25 0.54 2.13 -1.26 -4.09 120.64 118.34 3iyl n GLU 338 Ca 0.00 -0.01 0.17 0.00 0.66 0.00 0.00 57.16 57.98 3iyl n GLU 338 Cb 0.00 -1.53 0.91 0.00 0.27 0.00 0.00 31.44 31.09 3iyl n GLU 338 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 3iyl h LEU 339 N 0.00 0.00 0.35 4.31 5.85 -2.00 -2.81 115.31 121.01 3iyl h LEU 339 Ca 0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 3iyl h LEU 339 Cb 0.60 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.63 3iyl h LEU 339 CO 0.00 0.00 -0.17 0.25 -0.34 0.00 0.00 178.44 178.18 3iyl h LEU 340 N 0.00 -0.40 -0.84 2.25 5.85 -1.94 -1.09 115.31 119.14 3iyl h LEU 340 Ca 0.00 0.01 0.12 0.00 0.84 0.00 0.00 57.88 58.86 3iyl h LEU 340 Cb 0.01 0.10 -0.13 0.00 0.37 0.00 0.00 40.66 41.02 3iyl h LEU 340 CO 0.00 -0.27 -0.35 0.00 -0.34 0.00 0.00 178.44 177.48 3iyl n ALA 341 N -2.26 -0.16 0.25 1.25 0.00 -1.06 0.89 120.51 119.42 3iyl n ALA 341 Ca -0.06 0.82 0.07 0.00 0.00 0.00 0.00 53.44 54.28 3iyl n ALA 341 Cb 0.19 -0.34 0.61 0.00 0.00 0.00 0.00 19.45 19.90 3iyl n ALA 341 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3iyl h LEU 342 N 0.00 0.00 0.00 0.00 4.07 -1.57 -3.37 115.31 114.44 3iyl h LEU 342 Ca 0.27 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.23 3iyl h LEU 342 Cb 0.48 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.22 3iyl h LEU 342 CO -0.83 0.05 0.00 0.00 -1.08 0.00 0.00 178.44 176.59 3iyl n ALA 343 N -2.52 0.00 -1.52 1.53 0.00 0.26 -4.62 120.51 113.63 3iyl n ALA 343 Ca -0.03 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 52.96 3iyl n ALA 343 Cb 0.13 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.53 3iyl n ALA 343 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3iyl n TYR 344 N 0.00 1.70 0.10 0.00 4.01 -1.19 -4.23 117.16 117.56 3iyl n TYR 344 Ca 0.00 0.09 -0.03 0.00 -0.16 0.00 0.00 57.90 57.80 3iyl n TYR 344 Cb 0.00 -2.62 -0.00 0.00 -0.31 0.00 0.00 39.34 36.40 3iyl n TYR 344 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3iyl h PRO 345 N 14.42 0.00 -0.96 -0.72 0.11 -1.82 -3.29 132.00 139.75 3iyl h PRO 345 Ca -0.32 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.86 3iyl h PRO 345 Cb 1.28 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.33 3iyl h PRO 345 CO 1.02 0.77 0.62 0.78 -0.21 0.00 0.00 178.00 180.98 3iyl h GLY 346 N 2.87 1.42 0.17 -0.55 0.00 -1.93 -2.59 103.07 102.47 3iyl h GLY 346 Ca -0.01 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3iyl h GLY 346 CO 0.10 0.32 0.00 0.54 0.00 0.00 0.00 176.54 177.50 3iyl n ARG 347 N -4.49 0.27 -2.12 4.80 1.74 -1.24 -4.82 116.66 110.80 3iyl n ARG 347 Ca 0.15 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.82 3iyl n ARG 347 Cb 0.19 -1.09 -0.02 0.00 -1.02 0.00 0.00 32.46 30.52 3iyl n ARG 347 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3iyl s ALA 348 N -2.00 3.53 -0.34 7.54 0.00 -0.98 -5.01 121.76 124.50 3iyl s ALA 348 Ca 0.02 1.25 -0.13 0.00 0.00 0.00 0.00 51.96 53.10 3iyl s ALA 348 Cb 0.01 -3.49 -0.02 0.00 0.00 0.00 0.00 23.12 19.62 3iyl s ALA 348 CO 0.02 -0.64 0.26 0.08 0.00 0.00 0.00 175.76 175.48 3iyl s VAL 349 N -0.74 5.27 -0.44 0.00 1.01 -1.26 -5.06 120.40 119.18 3iyl s VAL 349 Ca 0.52 -0.16 -0.14 0.00 0.00 0.00 0.00 61.98 62.21 3iyl s VAL 349 Cb -0.40 -3.72 0.06 0.00 0.00 0.00 0.00 36.38 32.32 3iyl s VAL 349 CO 0.49 -0.01 0.33 -0.76 0.00 0.00 0.00 175.10 175.15 3iyl s LEU 350 N 1.77 5.34 -0.09 3.92 1.02 -1.26 -4.97 118.68 124.41 3iyl s LEU 350 Ca 0.07 -1.26 -0.27 0.00 0.02 0.00 0.00 54.13 52.69 3iyl s LEU 350 Cb -0.17 -2.12 -0.25 0.00 0.02 0.00 0.00 46.19 43.67 3iyl s LEU 350 CO 0.11 -0.56 0.93 -0.65 0.02 0.00 0.00 176.35 176.19 3iyl h PRO 351 N 8.63 0.05 -6.11 1.29 0.11 -2.02 -3.47 132.00 130.47 3iyl h PRO 351 Ca -0.27 -0.06 -0.57 0.00 0.11 0.00 0.00 66.00 65.21 3iyl h PRO 351 Cb 1.11 0.02 -0.16 0.00 0.11 0.00 0.00 31.00 32.08 3iyl h PRO 351 CO 0.81 0.89 -0.77 0.95 -0.21 0.00 0.00 178.00 179.67 3iyl s THR 352 N -2.82 2.17 -0.31 -1.15 -4.23 -1.26 -5.02 115.64 103.02 3iyl s THR 352 Ca -0.17 -2.19 -0.02 0.00 -1.18 0.00 0.00 61.69 58.12 3iyl s THR 352 Cb -0.01 -2.12 -0.02 0.00 1.34 0.00 0.00 72.50 71.69 3iyl s THR 352 CO 0.70 -0.36 1.40 1.67 -0.54 0.00 0.00 174.62 177.49 3iyl n GLN 353 N -0.20 0.76 -2.70 3.99 -0.06 -1.26 -4.73 117.38 113.17 3iyl n GLN 353 Ca -0.09 -0.80 -0.39 0.00 -2.00 0.00 0.00 57.00 53.72 3iyl n GLN 353 Cb 0.59 -2.12 -0.06 0.00 -4.06 0.00 0.00 30.24 24.59 3iyl n GLN 353 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 3iyl s THR 354 N 4.22 3.98 0.28 1.69 2.01 -1.26 -4.69 115.64 121.86 3iyl s THR 354 Ca 0.15 1.93 0.16 0.00 0.31 0.00 0.00 61.69 64.24 3iyl s THR 354 Cb 0.04 -4.20 0.27 0.00 0.01 0.00 0.00 72.50 68.62 3iyl s THR 354 CO -0.01 0.41 1.15 1.17 -0.69 0.00 0.00 174.62 176.64 3iyl n LYS 355 N 1.25 -0.04 0.23 4.92 4.81 -1.03 0.13 118.16 128.42 3iyl n LYS 355 Ca -0.01 0.99 -0.09 0.00 -0.87 0.00 0.00 58.31 58.33 3iyl n LYS 355 Cb 0.47 -1.80 -0.04 0.00 0.02 0.00 0.00 35.03 33.68 3iyl n LYS 355 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 3iyl h ASN 356 N 0.00 -0.51 -0.45 3.14 2.35 -1.76 -2.02 115.58 116.32 3iyl h ASN 356 Ca 0.62 0.02 0.13 0.00 -0.55 0.00 0.00 56.30 56.52 3iyl h ASN 356 Cb 1.69 0.13 -0.02 0.00 0.05 0.00 0.00 38.32 40.18 3iyl h ASN 356 CO -0.53 -0.28 0.71 0.00 -1.65 0.00 0.00 177.43 175.68 3iyl h ALA 357 N -1.54 2.19 -0.37 -0.83 0.00 0.58 2.31 119.26 121.59 3iyl h ALA 357 Ca -0.06 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3iyl h ALA 357 Cb 0.46 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3iyl h ALA 357 CO 0.10 -0.94 0.22 0.37 0.00 0.00 0.00 179.25 178.99 3iyl h GLN 358 N 0.00 0.51 0.00 0.00 5.75 0.18 -1.94 115.11 119.61 3iyl h GLN 358 Ca 0.22 -0.05 -0.00 0.00 -0.15 0.00 0.00 58.65 58.66 3iyl h GLN 358 Cb 1.63 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 30.08 3iyl h GLN 358 CO -0.00 0.39 -0.00 0.35 -2.65 0.00 0.00 178.83 176.92 3iyl h PHE 359 N 0.48 -0.01 -0.98 3.99 3.57 0.42 -3.36 116.94 121.05 3iyl h PHE 359 Ca 0.13 -0.00 0.35 0.00 3.53 0.00 0.00 57.97 61.98 3iyl h PHE 359 Cb 0.02 0.00 -0.18 0.00 2.79 0.00 0.00 35.95 38.59 3iyl h PHE 359 CO -0.03 -0.00 0.30 1.28 -2.23 0.00 0.00 178.31 177.63 3iyl n LEU 360 N -2.12 0.14 -0.23 0.59 4.77 -0.05 0.31 117.00 120.42 3iyl n LEU 360 Ca -0.00 1.64 0.10 0.00 -0.03 0.00 0.00 56.01 57.72 3iyl n LEU 360 Cb 0.00 -0.71 0.19 0.00 -2.33 0.00 0.00 43.42 40.58 3iyl n LEU 360 CO 0.00 -1.76 0.53 -0.24 -1.33 0.00 0.00 177.39 174.59 3iyl n SER 361 N -5.32 -0.08 0.16 -1.43 2.88 -0.73 -0.25 113.62 108.85 3iyl n SER 361 Ca 0.31 1.14 -0.14 0.00 -1.33 0.00 0.00 58.87 58.85 3iyl n SER 361 Cb 1.04 -0.41 -0.07 0.00 -0.75 0.00 0.00 64.21 64.02 3iyl n SER 361 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 3iyl h THR 362 N 0.00 0.62 0.00 2.46 2.02 -0.35 -3.47 112.91 114.20 3iyl h THR 362 Ca 0.40 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.58 3iyl h THR 362 Cb 0.82 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 67.86 3iyl h THR 362 CO -0.63 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.26 3iyl n ALA 363 N -2.37 0.00 -1.76 6.16 0.00 0.65 -4.68 120.51 118.51 3iyl n ALA 363 Ca -0.09 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.92 3iyl n ALA 363 Cb 0.21 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.63 3iyl n ALA 363 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3iyl s ILE 364 N 0.00 3.19 0.15 0.00 -1.09 -0.99 -4.88 121.20 117.57 3iyl s ILE 364 Ca 0.00 0.20 -0.16 0.00 -2.23 0.00 0.00 60.65 58.46 3iyl s ILE 364 Cb 0.00 -3.21 0.10 0.00 -1.58 0.00 0.00 42.46 37.77 3iyl s ILE 364 CO 0.00 -0.11 1.11 0.00 -1.23 0.00 0.00 174.94 174.71 3iyl n ALA 365 N 10.24 -0.21 0.86 9.38 0.00 -1.26 -0.88 120.51 138.63 3iyl n ALA 365 Ca 0.25 0.68 0.08 0.00 0.00 0.00 0.00 53.44 54.46 3iyl n ALA 365 Cb 0.45 -0.25 0.43 0.00 0.00 0.00 0.00 19.45 20.08 3iyl n ALA 365 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3iyl n ASP 366 N -5.01 0.00 -0.81 0.00 5.68 -1.26 -3.81 116.55 111.34 3iyl n ASP 366 Ca 0.05 -0.15 0.01 0.00 -0.50 0.00 0.00 54.79 54.20 3iyl n ASP 366 Cb 0.26 -0.18 0.08 0.00 -1.14 0.00 0.00 41.12 40.14 3iyl n ASP 366 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 3iyl n ARG 367 N -1.18 1.80 0.00 0.11 3.00 -0.06 -4.86 116.66 115.47 3iyl n ARG 367 Ca 0.09 -0.66 0.00 0.00 -0.00 0.00 0.00 57.85 57.28 3iyl n ARG 367 Cb 0.10 -1.65 0.00 0.00 0.00 0.00 0.00 32.46 30.91 3iyl n ARG 367 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.63 179.14 3iyl n ILE 368 N 0.13 0.00 0.00 5.15 3.06 -1.25 -4.78 119.36 121.68 3iyl n ILE 368 Ca 0.06 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.31 3iyl n ILE 368 Cb 0.46 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.64 3iyl n ILE 368 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3iyl n GLY 369 N 5.00 0.00 3.20 4.50 0.00 -1.26 -4.29 105.19 112.33 3iyl n GLY 369 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 3iyl n GLY 369 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3iyl n ARG 370 N 0.00 0.70 0.02 1.61 -4.01 -1.24 -2.63 116.66 111.11 3iyl n ARG 370 Ca 0.00 -2.60 0.00 0.00 -1.04 0.00 0.00 57.85 54.21 3iyl n ARG 370 Cb 0.00 -0.12 0.00 0.00 -3.04 0.00 0.00 32.46 29.30 3iyl n ARG 370 CO 0.00 0.00 0.00 1.28 -3.04 0.00 0.00 177.63 175.87 3iyl n LEU 371 N 0.00 0.05 -3.82 2.89 4.32 0.35 -4.82 117.00 115.97 3iyl n LEU 371 Ca 0.11 0.07 -0.28 0.00 -0.02 0.00 0.00 56.01 55.89 3iyl n LEU 371 Cb 0.50 0.03 -0.12 0.00 -1.62 0.00 0.00 43.42 42.20 3iyl n LEU 371 CO 0.32 -0.55 -0.10 -1.81 -1.22 0.00 0.00 177.39 174.03 3iyl s ASP 372 N -4.54 4.24 -0.35 -1.43 1.01 -1.18 -4.94 116.67 109.48 3iyl s ASP 372 Ca 0.00 -3.63 -0.28 0.00 0.71 0.00 0.00 52.55 49.35 3iyl s ASP 372 Cb 0.00 -1.43 -0.03 0.00 1.01 0.00 0.00 42.92 42.46 3iyl s ASP 372 CO 0.00 -0.11 1.98 -0.60 0.21 0.00 0.00 175.17 176.65 3iyl s ARG 373 N -1.07 3.06 -0.69 8.23 3.52 -1.26 -3.74 118.95 126.99 3iyl s ARG 373 Ca 0.25 1.49 -0.18 0.00 -0.13 0.00 0.00 55.73 57.16 3iyl s ARG 373 Cb -0.06 -4.31 0.13 0.00 -1.56 0.00 0.00 34.95 29.16 3iyl s ARG 373 CO -0.15 -2.18 0.77 0.00 -0.81 0.00 0.00 175.30 172.93 3iyl s ALA 374 N 8.09 3.56 -0.01 6.12 0.00 -1.12 -4.99 121.76 133.43 3iyl s ALA 374 Ca 0.86 -2.57 0.03 0.00 0.00 0.00 0.00 51.96 50.28 3iyl s ALA 374 Cb -0.23 -3.59 -0.03 0.00 0.00 0.00 0.00 23.12 19.26 3iyl s ALA 374 CO 0.32 -2.41 -0.07 0.54 0.00 0.00 0.00 175.76 174.14 3iyl s ASN 375 N 3.33 4.62 0.00 0.00 4.22 -1.26 -3.06 114.94 122.79 3iyl s ASN 375 Ca 0.15 -0.13 0.00 0.00 -2.14 0.00 0.00 52.86 50.74 3iyl s ASN 375 Cb -0.19 -1.09 0.00 0.00 1.28 0.00 0.00 41.25 41.26 3iyl s ASN 375 CO 0.00 0.29 0.00 0.18 -2.04 0.00 0.00 177.10 175.54 3iyl n LEU 376 N 1.64 0.00 -4.63 3.54 4.32 -1.26 -4.92 117.00 115.69 3iyl n LEU 376 Ca -0.16 0.00 -0.43 0.00 -0.02 0.00 0.00 56.01 55.41 3iyl n LEU 376 Cb 0.53 -0.16 -0.03 0.00 -1.62 0.00 0.00 43.42 42.14 3iyl n LEU 376 CO 0.30 -0.22 1.57 -0.63 -1.22 0.00 0.00 177.39 177.20 3iyl s ILE 377 N -0.44 3.30 -0.26 -0.08 -1.09 -1.26 -4.88 121.20 116.48 3iyl s ILE 377 Ca 0.00 0.34 -0.28 0.00 -2.23 0.00 0.00 60.65 58.47 3iyl s ILE 377 Cb 0.00 -3.30 -0.03 0.00 -1.58 0.00 0.00 42.46 37.55 3iyl s ILE 377 CO 0.00 -0.12 1.87 -0.83 -1.23 0.00 0.00 174.94 174.63 3iyl s GLY 378 N 5.43 0.84 0.00 6.18 0.00 -1.26 -1.59 107.32 116.92 3iyl s GLY 378 Ca 0.85 0.47 0.00 0.00 0.00 0.00 0.00 44.72 46.04 3iyl s GLY 378 CO 0.34 3.35 0.00 0.61 0.00 0.00 0.00 173.10 177.40 3iyl n GLY 379 N 5.32 0.99 3.94 0.20 0.00 -1.26 -5.09 105.19 109.29 3iyl n GLY 379 Ca 0.24 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.05 3iyl n GLY 379 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3iyl s GLU 380 N -0.41 3.23 0.38 1.61 2.12 -0.62 -5.06 118.70 119.94 3iyl s GLU 380 Ca 0.00 -0.90 -0.27 0.00 0.36 0.00 0.00 54.97 54.15 3iyl s GLU 380 Cb 0.00 -2.79 -0.10 0.00 0.26 0.00 0.00 34.13 31.50 3iyl s GLU 380 CO 0.00 0.33 1.40 0.54 -0.54 0.00 0.00 175.26 176.99 3iyl s VAL 381 N -2.07 2.32 0.34 3.70 0.11 -1.26 -4.84 120.40 118.70 3iyl s VAL 381 Ca 0.37 0.31 -0.28 0.00 -2.93 0.00 0.00 61.98 59.44 3iyl s VAL 381 Cb -0.09 -3.19 -0.12 0.00 -1.53 0.00 0.00 36.38 31.45 3iyl s VAL 381 CO 0.28 0.07 1.42 -0.24 -3.33 0.00 0.00 175.10 173.30 3iyl n SER 382 N 0.39 3.33 0.24 3.54 2.88 -1.26 -4.83 113.62 117.91 3iyl n SER 382 Ca 0.02 1.21 -0.10 0.00 -1.33 0.00 0.00 58.87 58.67 3iyl n SER 382 Cb 0.41 -1.55 -0.05 0.00 -0.75 0.00 0.00 64.21 62.27 3iyl n SER 382 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3iyl h ALA 383 N 3.10 -1.06 -2.85 -1.46 0.00 -1.91 -3.39 119.26 111.70 3iyl h ALA 383 Ca -0.48 -0.14 -0.31 0.00 0.00 0.00 0.00 54.91 53.98 3iyl h ALA 383 Cb 1.26 0.24 -0.36 0.00 0.00 0.00 0.00 17.79 18.93 3iyl h ALA 383 CO 0.66 -1.01 -0.63 0.00 0.00 0.00 0.00 179.25 178.27 3iyl s MET 384 N -4.18 0.11 0.53 0.00 0.23 -1.25 0.09 119.30 114.83 3iyl s MET 384 Ca -0.09 0.39 -0.05 0.00 -1.03 0.00 0.00 55.69 54.92 3iyl s MET 384 Cb 0.01 -0.73 -0.01 0.00 -1.53 0.00 0.00 34.83 32.57 3iyl s MET 384 CO 0.28 -0.47 0.82 0.14 -2.03 0.00 0.00 175.02 173.76 3iyl s VAL 385 N 2.31 4.20 -0.04 5.16 -7.23 0.03 -2.77 120.40 122.06 3iyl s VAL 385 Ca 0.04 0.01 0.02 0.00 -1.81 0.00 0.00 61.98 60.24 3iyl s VAL 385 Cb -0.14 -3.62 0.01 0.00 0.56 0.00 0.00 36.38 33.19 3iyl s VAL 385 CO -0.09 -0.60 -0.10 -0.70 -0.31 0.00 0.00 175.10 173.30 3iyl s GLU 386 N -4.83 1.25 -0.06 4.82 2.12 -1.25 -1.27 118.70 119.49 3iyl s GLU 386 Ca 0.50 -0.33 -0.25 0.00 0.36 0.00 0.00 54.97 55.25 3iyl s GLU 386 Cb -0.10 -1.11 0.06 0.00 0.26 0.00 0.00 34.13 33.23 3iyl s GLU 386 CO 0.44 0.06 0.57 0.00 -0.54 0.00 0.00 175.26 175.79 3iyl s MET 388 N -1.08 4.48 -0.29 0.00 1.00 -1.08 -1.58 119.30 120.74 3iyl s MET 388 Ca -0.11 1.04 -0.17 0.00 0.00 0.00 0.00 55.69 56.45 3iyl s MET 388 Cb -0.02 -3.29 0.18 0.00 0.00 0.00 0.00 34.83 31.70 3iyl s MET 388 CO 0.07 0.49 1.18 -1.83 0.00 0.00 0.00 175.02 174.93 3iyl s GLU 389 N -0.77 0.17 -0.34 2.03 -1.05 -0.70 -4.34 118.70 113.70 3iyl s GLU 389 Ca 0.35 0.28 -0.30 0.00 -0.15 0.00 0.00 54.97 55.16 3iyl s GLU 389 Cb -0.22 0.04 -0.13 0.00 -0.44 0.00 0.00 34.13 33.39 3iyl s GLU 389 CO 0.24 -0.03 1.42 -0.11 0.95 0.00 0.00 175.26 177.72 3iyl n LEU 390 N 3.09 0.52 -3.61 1.83 0.00 -1.26 -4.08 117.00 113.49 3iyl n LEU 390 Ca -0.17 0.48 -0.02 0.00 0.00 0.00 0.00 56.01 56.30 3iyl n LEU 390 Cb 0.57 -0.60 -0.06 0.00 0.00 0.00 0.00 43.42 43.32 3iyl n LEU 390 CO 0.04 -0.52 0.65 0.00 0.00 0.00 0.00 177.39 177.56 3iyl s ASP 392 N 1.53 6.91 0.56 0.00 -4.77 -1.25 -2.74 116.67 116.90 3iyl s ASP 392 Ca -0.08 2.27 0.43 0.00 -3.30 0.00 0.00 52.55 51.87 3iyl s ASP 392 Cb -0.04 -2.59 1.60 0.00 -1.09 0.00 0.00 42.92 40.80 3iyl s ASP 392 CO -0.16 -0.56 1.65 0.00 0.70 0.00 0.00 175.17 176.80 3iyl h ALA 393 N 6.36 3.48 0.22 2.11 0.00 -1.78 -1.03 119.26 128.60 3iyl h ALA 393 Ca -0.43 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 3iyl h ALA 393 Cb 1.21 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3iyl h ALA 393 CO 0.82 -1.97 -0.10 1.25 0.00 0.00 0.00 179.25 179.25 3iyl h LEU 394 N 0.00 -0.24 -0.41 0.00 5.85 -1.90 -0.84 115.31 117.77 3iyl h LEU 394 Ca 0.74 -0.12 0.06 0.00 0.84 0.00 0.00 57.88 59.40 3iyl h LEU 394 Cb 3.07 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 44.12 3iyl h LEU 394 CO -0.01 0.26 0.10 0.74 -0.34 0.00 0.00 178.44 179.19 3iyl h THR 395 N -1.03 0.82 -0.33 1.05 2.02 -1.72 -1.49 112.91 112.23 3iyl h THR 395 Ca -0.03 -0.08 0.06 0.00 0.77 0.00 0.00 66.41 67.13 3iyl h THR 395 Cb 0.35 0.56 -0.08 0.00 -1.74 0.00 0.00 68.15 67.23 3iyl h THR 395 CO 0.05 0.04 -0.43 0.25 0.37 0.00 0.00 175.52 175.80 3iyl h LEU 396 N 0.24 -1.42 -0.33 2.58 5.85 -1.30 0.22 115.31 121.16 3iyl h LEU 396 Ca 0.19 0.21 0.04 0.00 0.84 0.00 0.00 57.88 59.16 3iyl h LEU 396 Cb 0.22 0.61 -0.07 0.00 0.37 0.00 0.00 40.66 41.78 3iyl h LEU 396 CO -0.24 -0.39 -0.53 -0.74 -0.34 0.00 0.00 178.44 176.21 3iyl h HIS 397 N -0.38 -1.62 0.04 1.25 2.76 -0.14 -1.08 115.15 115.98 3iyl h HIS 397 Ca 0.12 0.07 0.03 0.00 -2.20 0.00 0.00 60.37 58.39 3iyl h HIS 397 Cb 0.60 0.75 -0.05 0.00 1.55 0.00 0.00 27.41 30.25 3iyl h HIS 397 CO -0.59 -0.48 -0.37 0.82 -1.30 0.00 0.00 177.93 176.00 3iyl h ILE 398 N -0.42 0.22 0.00 6.26 2.04 -0.96 0.35 117.51 125.00 3iyl h ILE 398 Ca 0.06 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.92 3iyl h ILE 398 Cb 0.59 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 3iyl h ILE 398 CO -0.53 0.00 0.40 -0.09 0.00 0.00 0.00 178.15 177.93 3iyl h ARG 399 N -0.55 0.00 -0.00 2.37 9.65 -0.49 0.84 114.38 126.19 3iyl h ARG 399 Ca 0.05 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.93 3iyl h ARG 399 Cb 0.62 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.20 3iyl h ARG 399 CO -0.27 0.00 -0.30 -1.91 2.80 0.00 0.00 179.97 180.29 3iyl n GLU 400 N -2.77 4.19 -0.24 0.20 4.07 -0.45 -4.02 120.64 121.62 3iyl n GLU 400 Ca -0.02 -0.10 0.07 0.00 -0.06 0.00 0.00 57.16 57.05 3iyl n GLU 400 Cb 0.44 -0.87 0.19 0.00 -0.06 0.00 0.00 31.44 31.15 3iyl n GLU 400 CO 0.00 0.00 0.00 -2.37 -0.06 0.00 0.00 177.13 174.70 3iyl n THR 401 N -1.00 0.64 -0.10 6.31 5.66 0.24 -2.64 114.28 123.40 3iyl n THR 401 Ca 0.02 -0.59 -0.14 0.00 -3.05 0.00 0.00 64.05 60.30 3iyl n THR 401 Cb 0.12 0.24 -0.09 0.00 -1.55 0.00 0.00 70.33 69.05 3iyl n THR 401 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3iyl n TYR 402 N 0.72 0.00 -0.21 1.09 9.36 -0.92 -3.72 117.16 123.48 3iyl n TYR 402 Ca 0.14 0.00 -0.05 0.00 3.32 0.00 0.00 57.90 61.31 3iyl n TYR 402 Cb 0.39 -0.73 0.11 0.00 -0.63 0.00 0.00 39.34 38.48 3iyl n TYR 402 CO 0.00 0.00 0.00 0.82 0.22 0.00 0.00 176.86 177.90 3iyl h ILE 403 N -0.03 1.25 -0.59 2.97 5.03 -1.68 0.18 117.51 124.64 3iyl h ILE 403 Ca -0.43 -0.88 0.05 0.00 -0.12 0.00 0.00 64.86 63.48 3iyl h ILE 403 Cb 1.65 0.54 -0.03 0.00 -3.03 0.00 0.00 36.82 35.95 3iyl h ILE 403 CO -0.08 0.34 0.39 -0.03 -0.68 0.00 0.00 178.15 178.10 3iyl h MET 404 N 0.98 0.59 0.07 2.37 4.05 -1.69 -2.29 114.93 119.00 3iyl h MET 404 Ca 0.21 -0.04 -0.00 0.00 -0.28 0.00 0.00 59.70 59.59 3iyl h MET 404 Cb 0.31 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 30.98 3iyl h MET 404 CO -0.00 0.39 -0.03 1.25 0.23 0.00 0.00 176.91 178.74 3iyl h LEU 405 N 0.61 -0.07 -1.95 3.39 5.85 -0.90 -2.80 115.31 119.43 3iyl h LEU 405 Ca 0.25 -0.53 0.03 0.00 0.84 0.00 0.00 57.88 58.47 3iyl h LEU 405 Cb 0.22 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.27 3iyl h LEU 405 CO -0.07 0.54 0.38 -0.07 -0.34 0.00 0.00 178.44 178.88 3iyl h LEU 406 N -0.75 0.00 0.04 2.25 4.07 -0.46 0.25 115.31 120.72 3iyl h LEU 406 Ca -0.01 0.00 -0.09 0.00 0.08 0.00 0.00 57.88 57.87 3iyl h LEU 406 Cb 0.60 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.35 3iyl h LEU 406 CO 0.01 0.00 -0.36 0.03 -1.08 0.00 0.00 178.44 177.04 3iyl h ARG 407 N 0.00 0.17 0.00 1.13 2.47 -1.38 -3.20 114.38 113.57 3iyl h ARG 407 Ca 0.05 -0.24 0.00 0.00 -1.26 0.00 0.00 59.98 58.53 3iyl h ARG 407 Cb 0.80 0.08 0.00 0.00 -1.65 0.00 0.00 29.97 29.20 3iyl h ARG 407 CO -0.00 1.06 0.07 0.45 0.56 0.00 0.00 179.97 182.11 3iyl n SER 408 N -4.41 0.00 -2.70 7.04 2.88 0.88 -0.47 113.62 116.84 3iyl n SER 408 Ca -0.11 0.13 -0.07 0.00 -1.33 0.00 0.00 58.87 57.49 3iyl n SER 408 Cb 0.61 -0.13 0.04 0.00 -0.75 0.00 0.00 64.21 63.98 3iyl n SER 408 CO 0.00 0.00 0.00 1.15 -1.23 0.00 0.00 175.04 174.96 3iyl n MET 409 N -1.03 1.26 -4.30 -1.46 0.00 -1.15 -4.71 117.12 105.74 3iyl n MET 409 Ca 0.00 -3.18 -0.16 0.00 0.00 0.00 0.00 57.70 54.36 3iyl n MET 409 Cb 0.07 -1.21 -0.10 0.00 0.00 0.00 0.00 33.22 31.98 3iyl n MET 409 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 175.97 174.39 3iyl s HIS 410 N -3.00 1.45 -0.21 3.17 5.04 0.37 -1.97 115.29 120.14 3iyl s HIS 410 Ca 0.26 -0.77 -0.09 0.00 -1.54 0.00 0.00 55.06 52.92 3iyl s HIS 410 Cb 0.43 -0.76 0.09 0.00 0.04 0.00 0.00 32.58 32.37 3iyl s HIS 410 CO 0.01 0.10 0.48 -0.65 -2.34 0.00 0.00 174.74 172.34 3iyl s GLN 411 N -3.76 0.42 1.04 2.88 -1.52 -1.26 -4.91 119.66 112.55 3iyl s GLN 411 Ca 0.22 1.05 -0.17 0.00 -1.95 0.00 0.00 55.36 54.50 3iyl s GLN 411 Cb 0.03 0.28 0.05 0.00 -0.22 0.00 0.00 33.01 33.16 3iyl s GLN 411 CO 0.04 -0.21 0.07 -0.40 -0.25 0.00 0.00 175.29 174.54 3iyl n ASP 412 N 4.95 -2.44 0.23 5.90 5.75 -1.26 -4.46 116.55 125.22 3iyl n ASP 412 Ca -0.15 0.07 -0.15 0.00 -0.01 0.00 0.00 54.79 54.56 3iyl n ASP 412 Cb 0.52 -1.03 -0.08 0.00 -1.03 0.00 0.00 41.12 39.51 3iyl n ASP 412 CO 0.00 0.00 0.00 -0.65 -0.11 0.00 0.00 177.20 176.44 3iyl h PRO 413 N -1.78 -0.63 0.00 0.11 0.11 -1.98 -2.05 132.00 125.78 3iyl h PRO 413 Ca -0.49 0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3iyl h PRO 413 Cb 1.33 0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.58 3iyl h PRO 413 CO 0.35 -0.42 0.33 0.25 -0.21 0.00 0.00 178.00 178.31 3iyl n THR 414 N -5.41 0.69 0.00 -1.15 -2.24 -1.26 -1.45 114.28 103.46 3iyl n THR 414 Ca -0.10 0.64 0.00 0.00 -2.27 0.00 0.00 64.05 62.32 3iyl n THR 414 Cb 0.31 -1.64 0.00 0.00 -2.10 0.00 0.00 70.33 66.90 3iyl n THR 414 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3iyl n GLN 415 N -1.66 0.00 0.11 -0.78 1.13 -0.81 -4.10 117.38 111.27 3iyl n GLN 415 Ca -0.00 0.18 0.01 0.00 -1.94 0.00 0.00 57.00 55.25 3iyl n GLN 415 Cb 0.34 -0.62 0.07 0.00 0.11 0.00 0.00 30.24 30.15 3iyl n GLN 415 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 3iyl n ILE 416 N -1.97 0.25 -0.04 5.09 -5.35 -0.79 0.76 119.36 117.31 3iyl n ILE 416 Ca 0.00 0.66 -0.16 0.00 -0.27 0.00 0.00 62.75 62.98 3iyl n ILE 416 Cb 0.00 -1.66 -0.13 0.00 -1.74 0.00 0.00 39.64 36.11 3iyl n ILE 416 CO 0.00 0.00 0.00 1.62 -1.76 0.00 0.00 176.55 176.41 3iyl h VAL 417 N 0.00 1.64 -0.22 7.28 3.04 -1.43 -3.15 116.25 123.42 3iyl h VAL 417 Ca 0.00 -2.39 -0.03 0.00 -1.01 0.00 0.00 66.70 63.27 3iyl h VAL 417 Cb 1.08 3.25 -0.01 0.00 -2.01 0.00 0.00 31.29 33.60 3iyl h VAL 417 CO 0.00 0.62 0.01 1.56 -1.01 0.00 0.00 177.57 178.75 3iyl h GLN 418 N -0.82 0.37 -1.11 4.17 4.20 0.19 0.32 115.11 122.44 3iyl h GLN 418 Ca -0.07 -0.11 0.31 0.00 0.06 0.00 0.00 58.65 58.84 3iyl h GLN 418 Cb 1.21 -0.04 -0.11 0.00 0.30 0.00 0.00 27.48 28.84 3iyl h GLN 418 CO 0.03 0.55 0.70 0.82 -0.67 0.00 0.00 178.83 180.26 3iyl h ILE 419 N 0.15 0.40 0.03 2.54 2.04 -1.54 0.40 117.51 121.53 3iyl h ILE 419 Ca 0.06 -0.11 -0.06 0.00 1.00 0.00 0.00 64.86 65.76 3iyl h ILE 419 Cb 0.37 0.06 0.01 0.00 -0.74 0.00 0.00 36.82 36.52 3iyl h ILE 419 CO 0.01 0.06 -0.25 0.58 0.00 0.00 0.00 178.15 178.55 3iyl h VAL 420 N 0.31 1.66 0.00 1.67 2.07 -1.32 -3.05 116.25 117.59 3iyl h VAL 420 Ca 0.66 -2.24 0.00 0.00 0.82 0.00 0.00 66.70 65.94 3iyl h VAL 420 Cb 1.78 3.14 0.00 0.00 -1.52 0.00 0.00 31.29 34.70 3iyl h VAL 420 CO -0.36 0.60 0.00 0.59 0.02 0.00 0.00 177.57 178.42 3iyl n ASN 421 N -4.48 0.00 -0.28 0.57 3.02 0.11 -2.27 115.26 111.92 3iyl n ASN 421 Ca -0.11 0.78 0.19 0.00 -0.03 0.00 0.00 54.58 55.41 3iyl n ASN 421 Cb 0.55 -0.28 0.35 0.00 -0.61 0.00 0.00 39.78 39.79 3iyl n ASN 421 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3iyl n GLU 422 N -1.63 -0.06 0.22 3.52 1.02 0.11 0.11 120.64 123.92 3iyl n GLU 422 Ca 0.00 1.21 0.18 0.00 -0.02 0.00 0.00 57.16 58.53 3iyl n GLU 422 Cb 0.00 -2.03 0.85 0.00 -0.02 0.00 0.00 31.44 30.24 3iyl n GLU 422 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3iyl n ALA 424 N -2.25 2.43 -3.37 0.00 0.00 0.30 -4.39 120.51 113.23 3iyl n ALA 424 Ca 0.02 -2.25 -0.18 0.00 0.00 0.00 0.00 53.44 51.02 3iyl n ALA 424 Cb 0.36 -0.43 0.07 0.00 0.00 0.00 0.00 19.45 19.44 3iyl n ALA 424 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3iyl n ASN 425 N -0.94 -5.41 0.00 0.00 5.03 0.71 -3.18 115.26 111.46 3iyl n ASN 425 Ca 0.15 -0.75 0.00 0.00 0.87 0.00 0.00 54.58 54.85 3iyl n ASN 425 Cb 0.65 -4.85 0.00 0.00 -1.02 0.00 0.00 39.78 34.56 3iyl n ASN 425 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 3iyl n ASN 426 N -3.12 0.00 -4.78 6.41 4.13 -0.96 -4.84 115.26 112.11 3iyl n ASN 426 Ca -0.12 0.00 -0.34 0.00 1.68 0.00 0.00 54.58 55.80 3iyl n ASN 426 Cb 0.63 -0.20 0.01 0.00 -1.54 0.00 0.00 39.78 38.68 3iyl n ASN 426 CO 0.00 0.00 0.00 -1.48 0.28 0.00 0.00 177.26 176.06 3iyl s LEU 427 N 0.00 3.65 0.00 3.41 0.05 -1.19 -4.68 118.68 119.92 3iyl s LEU 427 Ca 0.00 2.06 0.00 0.00 0.05 0.00 0.00 54.13 56.24 3iyl s LEU 427 Cb 0.00 -4.57 0.00 0.00 -2.05 0.00 0.00 46.19 39.57 3iyl s LEU 427 CO 0.00 -1.25 0.00 -0.11 -0.55 0.00 0.00 176.35 174.44 3iyl n LEU 428 N -1.60 0.00 -4.58 1.48 -0.00 -1.26 -4.68 117.00 106.36 3iyl n LEU 428 Ca 0.11 0.00 -0.41 0.00 -0.00 0.00 0.00 56.01 55.70 3iyl n LEU 428 Cb 0.52 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.91 3iyl n LEU 428 CO 0.44 0.00 1.50 0.54 -0.00 0.00 0.00 177.39 179.86 3iyl s ASN 429 N 0.00 5.75 -0.03 1.96 6.03 -1.26 -4.95 114.94 122.43 3iyl s ASN 429 Ca 0.00 0.82 0.02 0.00 -1.03 0.00 0.00 52.86 52.67 3iyl s ASN 429 Cb 0.00 -2.53 0.01 0.00 -3.03 0.00 0.00 41.25 35.69 3iyl s ASN 429 CO 0.00 -1.91 -0.09 -0.94 -2.03 0.00 0.00 177.10 172.13 3iyl s SER 430 N 6.38 1.26 -0.03 3.54 1.04 -1.26 -2.78 113.70 121.85 3iyl s SER 430 Ca 0.71 -0.20 0.05 0.00 0.48 0.00 0.00 55.95 56.99 3iyl s SER 430 Cb -0.17 -0.38 -0.01 0.00 0.10 0.00 0.00 66.02 65.57 3iyl s SER 430 CO 0.28 0.06 -0.17 -0.89 0.98 0.00 0.00 173.24 173.50 3iyl s THR 431 N 0.27 1.39 -0.11 2.02 2.01 -0.93 -4.89 115.64 115.40 3iyl s THR 431 Ca -0.05 -0.72 -0.04 0.00 0.31 0.00 0.00 61.69 61.19 3iyl s THR 431 Cb -0.10 -1.18 -0.04 0.00 0.01 0.00 0.00 72.50 71.20 3iyl s THR 431 CO 0.01 0.40 0.05 -0.51 -0.69 0.00 0.00 174.62 173.87 3iyl s ILE 432 N -0.16 4.69 -0.33 1.82 -1.16 -1.26 0.53 121.20 125.34 3iyl s ILE 432 Ca 0.01 -0.09 -0.26 0.00 -0.51 0.00 0.00 60.65 59.79 3iyl s ILE 432 Cb -0.09 -3.02 0.01 0.00 0.61 0.00 0.00 42.46 39.97 3iyl s ILE 432 CO 0.01 0.58 0.94 -2.84 -2.81 0.00 0.00 174.94 170.82 3iyl s PRO 433 N -0.70 3.97 -0.73 3.50 0.02 -1.26 -4.98 135.00 134.83 3iyl s PRO 433 Ca 0.12 0.77 -0.26 0.00 0.02 0.00 0.00 61.00 61.65 3iyl s PRO 433 Cb -0.12 -3.75 -0.03 0.00 0.02 0.00 0.00 34.50 30.63 3iyl s PRO 433 CO 0.02 -0.83 1.86 0.42 -0.33 0.00 0.00 177.00 178.14 3iyl s ILE 434 N 3.36 3.41 -0.23 2.83 1.01 -1.26 -4.85 121.20 125.47 3iyl s ILE 434 Ca 0.39 -0.01 -0.27 0.00 0.00 0.00 0.00 60.65 60.76 3iyl s ILE 434 Cb -0.13 -4.03 0.13 0.00 0.01 0.00 0.00 42.46 38.45 3iyl s ILE 434 CO 0.15 -0.98 1.07 -0.94 0.00 0.00 0.00 174.94 174.24 3iyl s SER 435 N 7.84 -0.36 -0.02 3.58 1.04 -1.26 -5.12 113.70 119.40 3iyl s SER 435 Ca 0.66 0.55 -0.30 0.00 0.48 0.00 0.00 55.95 57.35 3iyl s SER 435 Cb -0.10 0.51 -0.08 0.00 0.10 0.00 0.00 66.02 66.45 3iyl s SER 435 CO 0.12 -0.22 2.04 0.00 0.98 0.00 0.00 173.24 176.17 3iyl n LEU 436 N 1.42 3.96 -4.24 2.42 -0.00 -1.26 -4.92 117.00 114.37 3iyl n LEU 436 Ca -0.11 0.73 -0.43 0.00 -0.00 0.00 0.00 56.01 56.21 3iyl n LEU 436 Cb 0.57 -1.53 -0.05 0.00 -0.00 0.00 0.00 43.42 42.40 3iyl n LEU 436 CO 0.08 -0.01 0.24 -0.13 -0.00 0.00 0.00 177.39 177.57 3iyl s ARG 437 N 4.93 3.11 0.00 1.47 0.52 -1.26 -5.01 118.95 122.71 3iyl s ARG 437 Ca 0.92 -2.36 0.00 0.00 -0.52 0.00 0.00 55.73 53.77 3iyl s ARG 437 Cb -0.41 -4.15 0.00 0.00 0.52 0.00 0.00 34.95 30.91 3iyl s ARG 437 CO 0.40 -1.25 0.00 -2.30 0.02 0.00 0.00 175.30 172.18 3iyl n PRO 438 N 4.00 0.00 -3.67 3.54 -0.02 -1.26 -4.42 135.00 133.18 3iyl n PRO 438 Ca 0.08 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.42 3iyl n PRO 438 Cb 0.43 0.00 -0.08 0.00 -0.02 0.00 0.00 33.50 33.83 3iyl n PRO 438 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3iyl s THR 439 N -0.65 0.01 -0.36 3.45 -4.23 -1.26 -5.06 115.64 107.53 3iyl s THR 439 Ca 0.00 -0.04 0.04 0.00 -1.18 0.00 0.00 61.69 60.51 3iyl s THR 439 Cb 0.00 -0.80 0.17 0.00 1.34 0.00 0.00 72.50 73.21 3iyl s THR 439 CO 0.00 -0.02 0.47 0.27 -0.54 0.00 0.00 174.62 174.79 3iyl s ILE 440 N -0.06 -0.62 -0.58 2.99 -4.36 -1.26 -4.08 121.20 113.23 3iyl s ILE 440 Ca -0.03 -0.50 -0.25 0.00 -0.26 0.00 0.00 60.65 59.61 3iyl s ILE 440 Cb -0.04 -0.56 0.04 0.00 1.25 0.00 0.00 42.46 43.16 3iyl s ILE 440 CO 0.02 -0.32 0.99 -0.22 0.24 0.00 0.00 174.94 175.65 3iyl s LEU 441 N 1.86 4.01 -0.53 0.37 0.20 -1.18 -4.95 118.68 118.47 3iyl s LEU 441 Ca 0.15 -0.38 0.04 0.00 0.69 0.00 0.00 54.13 54.63 3iyl s LEU 441 Cb -0.11 -2.81 0.15 0.00 -0.43 0.00 0.00 46.19 42.99 3iyl s LEU 441 CO -0.11 -1.31 0.33 0.00 -0.29 0.00 0.00 176.35 174.96 3iyl n PRO 443 N 2.93 1.44 -0.00 0.00 -0.04 -1.25 -4.34 135.00 133.74 3iyl n PRO 443 Ca 0.14 -2.11 0.08 0.00 -0.04 0.00 0.00 63.50 61.57 3iyl n PRO 443 Cb 0.36 -3.32 -0.11 0.00 -0.04 0.00 0.00 33.50 30.38 3iyl n PRO 443 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 3iyl n TRP 444 N 11.27 0.00 -4.39 0.54 8.01 -0.83 -4.89 117.44 127.15 3iyl n TRP 444 Ca 0.47 0.00 -0.34 0.00 -1.31 0.00 0.00 57.50 56.32 3iyl n TRP 444 Cb 0.44 -0.21 -0.10 0.00 -2.01 0.00 0.00 31.31 29.43 3iyl n TRP 444 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.69 176.62 3iyl s PHE 445 N -2.86 3.10 0.06 -5.99 0.08 -1.08 -4.38 117.98 106.93 3iyl s PHE 445 Ca -0.01 0.14 0.09 0.00 0.12 0.00 0.00 56.93 57.27 3iyl s PHE 445 Cb 0.11 -1.75 -0.03 0.00 -0.57 0.00 0.00 43.02 40.78 3iyl s PHE 445 CO 0.67 0.45 -0.25 0.00 -0.10 0.00 0.00 175.22 175.98 3iyl s ALA 446 N -0.93 2.35 1.21 5.36 0.00 -1.24 -4.09 121.76 124.43 3iyl s ALA 446 Ca 0.15 -1.30 -0.16 0.00 0.00 0.00 0.00 51.96 50.65 3iyl s ALA 446 Cb -0.11 -0.51 0.26 0.00 0.00 0.00 0.00 23.12 22.76 3iyl s ALA 446 CO 0.04 0.54 0.70 -1.13 0.00 0.00 0.00 175.76 175.92 3iyl n SER 447 N 1.56 -2.39 0.10 0.00 3.41 -1.26 -4.52 113.62 110.52 3iyl n SER 447 Ca -0.17 -0.29 -0.01 0.00 -0.26 0.00 0.00 58.87 58.14 3iyl n SER 447 Cb 0.52 -1.12 0.28 0.00 -0.26 0.00 0.00 64.21 63.63 3iyl n SER 447 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 3iyl h SER 448 N -2.72 0.23 -0.18 4.04 0.87 -1.87 -2.78 113.55 111.14 3iyl h SER 448 Ca -0.57 -0.08 -0.15 0.00 -1.23 0.00 0.00 61.79 59.77 3iyl h SER 448 Cb 1.32 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.22 3iyl h SER 448 CO 0.42 0.55 -0.46 -0.08 -0.53 0.00 0.00 176.83 176.73 3iyl h GLU 449 N 0.20 0.62 -0.21 2.24 4.57 -1.90 -2.26 114.58 117.85 3iyl h GLU 449 Ca 0.03 -0.44 0.01 0.00 -1.18 0.00 0.00 59.36 57.78 3iyl h GLU 449 Cb 0.68 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.33 3iyl h GLU 449 CO 0.05 1.05 0.14 -0.44 -1.18 0.00 0.00 179.01 178.63 3iyl h ASP 450 N 0.30 0.21 0.59 1.04 5.19 -1.89 -2.32 116.42 119.54 3iyl h ASP 450 Ca -0.01 -0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.37 3iyl h ASP 450 Cb 1.07 -0.05 0.01 0.00 0.18 0.00 0.00 39.33 40.54 3iyl h ASP 450 CO 0.10 0.15 -0.29 -0.07 -3.12 0.00 0.00 179.24 176.01 3iyl h LEU 451 N 0.24 -0.68 -1.41 1.55 3.38 -1.30 -3.25 115.31 113.85 3iyl h LEU 451 Ca 0.08 0.02 0.20 0.00 0.09 0.00 0.00 57.88 58.27 3iyl h LEU 451 Cb 0.03 0.17 -0.07 0.00 0.09 0.00 0.00 40.66 40.88 3iyl h LEU 451 CO -0.02 -0.32 0.60 0.03 0.09 0.00 0.00 178.44 178.83 3iyl h ARG 452 N -1.14 0.47 0.00 1.13 3.08 -1.25 0.28 114.38 116.96 3iyl h ARG 452 Ca -0.08 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.94 3iyl h ARG 452 Cb 0.61 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.56 3iyl h ARG 452 CO 0.13 0.31 0.00 1.25 -1.07 0.00 0.00 179.97 180.60 3iyl h LEU 453 N 0.49 0.00 0.00 3.04 5.85 -1.45 -1.19 115.31 122.05 3iyl h LEU 453 Ca 0.49 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.21 3iyl h LEU 453 Cb 1.09 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.12 3iyl h LEU 453 CO -0.21 0.00 -1.41 1.67 -0.34 0.00 0.00 178.44 178.15 3iyl n GLN 454 N -2.66 0.94 -0.00 1.25 0.00 0.92 -3.61 117.38 114.21 3iyl n GLN 454 Ca -0.01 -0.10 -0.17 0.00 -0.00 0.00 0.00 57.00 56.71 3iyl n GLN 454 Cb 0.10 -1.31 -0.10 0.00 0.00 0.00 0.00 30.24 28.93 3iyl n GLN 454 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.06 177.43 3iyl h GLN 455 N 0.00 0.50 -0.23 3.69 5.75 -0.35 0.19 115.11 124.66 3iyl h GLN 455 Ca 0.00 -0.48 -0.12 0.00 -0.15 0.00 0.00 58.65 57.90 3iyl h GLN 455 Cb 0.59 0.12 -0.00 0.00 1.07 0.00 0.00 27.48 29.26 3iyl h GLN 455 CO 0.00 1.12 -0.32 0.28 -2.65 0.00 0.00 178.83 177.26 3iyl h VAL 456 N 0.07 1.32 -0.93 2.39 2.07 -1.64 -2.36 116.25 117.17 3iyl h VAL 456 Ca -0.07 -1.52 0.17 0.00 0.82 0.00 0.00 66.70 66.10 3iyl h VAL 456 Cb 1.30 1.75 -0.08 0.00 -1.52 0.00 0.00 31.29 32.75 3iyl h VAL 456 CO 0.13 0.47 0.59 -0.03 0.02 0.00 0.00 177.57 178.75 3iyl h MET 457 N 0.32 0.64 0.00 1.57 1.85 -1.61 0.13 114.93 117.84 3iyl h MET 457 Ca 0.03 -0.04 -0.09 0.00 -0.61 0.00 0.00 59.70 58.98 3iyl h MET 457 Cb 0.90 -0.15 -0.01 0.00 0.43 0.00 0.00 31.60 32.77 3iyl h MET 457 CO 0.07 0.43 -0.44 1.25 -0.40 0.00 0.00 176.91 177.82 3iyl h HIS 458 N 0.66 0.00 0.00 1.39 6.17 -0.38 -3.10 115.15 119.90 3iyl h HIS 458 Ca 0.48 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.56 3iyl h HIS 458 Cb 0.85 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.78 3iyl h HIS 458 CO -0.00 0.44 -0.08 1.28 0.71 0.00 0.00 177.93 180.27 3iyl n LEU 459 N -3.31 0.24 0.05 0.26 4.77 0.39 -2.75 117.00 116.65 3iyl n LEU 459 Ca 0.01 0.45 -0.21 0.00 -0.03 0.00 0.00 56.01 56.23 3iyl n LEU 459 Cb 0.65 -0.43 -0.15 0.00 -2.33 0.00 0.00 43.42 41.17 3iyl n LEU 459 CO 0.39 -0.02 -0.07 0.58 -1.33 0.00 0.00 177.39 176.93 3iyl h VAL 460 N 0.00 1.40 -0.17 4.08 2.07 -1.30 -3.31 116.25 119.03 3iyl h VAL 460 Ca 0.00 -2.52 -0.14 0.00 0.82 0.00 0.00 66.70 64.86 3iyl h VAL 460 Cb 0.55 3.09 -0.01 0.00 -1.52 0.00 0.00 31.29 33.40 3iyl h VAL 460 CO 0.00 0.72 -0.50 0.78 0.02 0.00 0.00 177.57 178.59 3iyl h ASN 461 N -0.33 0.48 -2.59 0.57 4.21 -1.64 -3.43 115.58 112.85 3iyl h ASN 461 Ca -0.18 -0.24 -0.52 0.00 1.21 0.00 0.00 56.30 56.56 3iyl h ASN 461 Cb 1.70 -0.14 0.05 0.00 -1.12 0.00 0.00 38.32 38.81 3iyl h ASN 461 CO 0.14 0.90 1.07 -0.51 -1.29 0.00 0.00 177.43 177.73 3iyl s ILE 462 N -4.04 2.26 -0.22 2.81 1.10 -1.11 -4.89 121.20 117.10 3iyl s ILE 462 Ca -0.06 0.01 -0.29 0.00 -0.51 0.00 0.00 60.65 59.80 3iyl s ILE 462 Cb 0.12 -3.01 -0.02 0.00 0.15 0.00 0.00 42.46 39.70 3iyl s ILE 462 CO 0.82 0.00 1.52 -0.44 -2.11 0.00 0.00 174.94 174.72 3iyl s SER 463 N 1.96 6.52 0.45 4.50 0.01 -1.26 -4.86 113.70 121.02 3iyl s SER 463 Ca 0.78 1.59 0.05 0.00 1.31 0.00 0.00 55.95 59.68 3iyl s SER 463 Cb -0.48 -2.53 0.26 0.00 0.21 0.00 0.00 66.02 63.48 3iyl s SER 463 CO 0.34 -1.14 1.01 0.28 0.41 0.00 0.00 173.24 174.15 3iyl h SER 464 N 10.06 0.00 -4.15 2.44 0.02 -1.90 -3.38 113.55 116.64 3iyl h SER 464 Ca -0.32 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.10 3iyl h SER 464 Cb 1.14 0.00 0.14 0.00 0.14 0.00 0.00 62.40 63.82 3iyl h SER 464 CO 1.00 0.00 0.42 0.54 -1.14 0.00 0.00 176.83 177.65 3iyl s ASN 465 N -2.96 4.51 0.61 3.07 2.20 -1.26 -1.96 114.94 119.15 3iyl s ASN 465 Ca -0.01 2.37 0.32 0.00 -0.94 0.00 0.00 52.86 54.61 3iyl s ASN 465 Cb 0.01 -2.59 1.87 0.00 -2.00 0.00 0.00 41.25 38.54 3iyl s ASN 465 CO 0.04 -2.05 2.20 0.00 -2.94 0.00 0.00 177.10 174.35 3iyl h THR 466 N 0.08 0.37 -0.20 0.54 1.03 -1.78 -2.27 112.91 110.67 3iyl h THR 466 Ca -0.49 0.00 -0.14 0.00 -0.01 0.00 0.00 66.41 65.77 3iyl h THR 466 Cb 1.30 0.92 -0.01 0.00 -1.07 0.00 0.00 68.15 69.29 3iyl h THR 466 CO 0.52 0.00 -0.47 0.00 -0.01 0.00 0.00 175.52 175.56 3iyl h ALA 467 N 1.87 0.81 0.00 0.00 0.00 -1.90 -2.74 119.26 117.30 3iyl h ALA 467 Ca 0.03 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3iyl h ALA 467 Cb 0.22 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3iyl h ALA 467 CO -0.00 0.66 0.00 0.00 0.00 0.00 0.00 179.25 179.91 3iyl h ALA 468 N 1.07 1.00 -0.01 0.00 0.00 -1.58 -2.84 119.26 116.90 3iyl h ALA 468 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3iyl h ALA 468 Cb 0.98 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3iyl h ALA 468 CO 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 179.25 178.97 3iyl n ALA 469 N -1.84 3.33 0.08 0.00 0.00 -1.17 -4.23 120.51 116.67 3iyl n ALA 469 Ca 0.05 -0.59 -0.09 0.00 0.00 0.00 0.00 53.44 52.80 3iyl n ALA 469 Cb 0.41 -0.88 -0.11 0.00 0.00 0.00 0.00 19.45 18.87 3iyl n ALA 469 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3iyl h LEU 470 N 2.35 0.14 -2.98 0.00 5.85 -1.23 -2.84 115.31 116.60 3iyl h LEU 470 Ca 0.00 -0.14 -0.19 0.00 0.84 0.00 0.00 57.88 58.39 3iyl h LEU 470 Cb 0.71 -0.04 -0.11 0.00 0.37 0.00 0.00 40.66 41.59 3iyl h LEU 470 CO 0.00 1.08 0.23 -2.65 -0.34 0.00 0.00 178.44 176.77 3iyl n PRO 471 N -3.44 2.52 -0.00 5.25 -0.02 -1.25 -1.97 135.00 136.09 3iyl n PRO 471 Ca -0.03 -1.94 -0.00 0.00 -2.02 0.00 0.00 63.50 59.51 3iyl n PRO 471 Cb 0.94 -1.85 -0.00 0.00 -0.02 0.00 0.00 33.50 32.57 3iyl n PRO 471 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3iyl n LEU 472 N -0.13 0.92 -0.10 2.45 7.94 -1.12 -4.39 117.00 122.56 3iyl n LEU 472 Ca 0.29 -0.00 -0.21 0.00 -1.11 0.00 0.00 56.01 54.98 3iyl n LEU 472 Cb 1.07 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 44.92 3iyl n LEU 472 CO 0.31 0.16 -0.56 0.52 -1.11 0.00 0.00 177.39 176.71 3iyl n VAL 473 N -2.17 1.52 0.27 1.96 0.31 -1.09 -3.73 118.33 115.41 3iyl n VAL 473 Ca -0.01 -0.02 0.18 0.00 -0.01 0.00 0.00 64.34 64.48 3iyl n VAL 473 Cb 0.51 -2.07 0.94 0.00 -0.91 0.00 0.00 33.84 32.31 3iyl n VAL 473 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3iyl h GLU 474 N -1.00 0.00 -0.20 5.55 4.81 -1.68 0.42 114.58 122.49 3iyl h GLU 474 Ca -0.34 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 58.73 3iyl h GLU 474 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 3iyl h GLU 474 CO -0.21 0.00 -0.51 0.00 -0.73 0.00 0.00 179.01 177.57 3iyl h ALA 475 N 1.82 0.33 0.00 2.92 0.00 -1.77 -1.03 119.26 121.53 3iyl h ALA 475 Ca 0.04 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 3iyl h ALA 475 Cb 0.30 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3iyl h ALA 475 CO -0.00 0.51 -0.01 1.25 0.00 0.00 0.00 179.25 181.00 3iyl h LEU 476 N 0.40 0.00 0.17 0.00 7.12 -0.87 -3.05 115.31 119.08 3iyl h LEU 476 Ca -0.01 0.00 -0.34 0.00 0.13 0.00 0.00 57.88 57.67 3iyl h LEU 476 Cb 1.12 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 41.26 3iyl h LEU 476 CO 0.11 0.01 -1.66 0.28 -0.13 0.00 0.00 178.44 177.06 3iyl h SER 477 N 0.00 0.56 -0.02 1.25 0.02 -0.18 -0.06 113.55 115.12 3iyl h SER 477 Ca -0.00 -0.79 -0.09 0.00 -0.84 0.00 0.00 61.79 60.07 3iyl h SER 477 Cb 0.89 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.23 3iyl h SER 477 CO 0.00 1.66 -0.23 0.74 -1.14 0.00 0.00 176.83 177.86 3iyl h THR 478 N 0.10 1.25 -0.05 -2.27 2.02 -1.24 -2.35 112.91 110.38 3iyl h THR 478 Ca -0.30 -1.20 -0.20 0.00 0.77 0.00 0.00 66.41 65.48 3iyl h THR 478 Cb 2.08 1.34 0.01 0.00 -1.74 0.00 0.00 68.15 69.84 3iyl h THR 478 CO 0.18 0.38 -0.74 -0.07 0.37 0.00 0.00 175.52 175.64 3iyl h LEU 479 N 0.38 0.74 -0.56 2.58 4.07 -1.60 -1.13 115.31 119.79 3iyl h LEU 479 Ca 0.06 -0.71 0.11 0.00 0.08 0.00 0.00 57.88 57.43 3iyl h LEU 479 Cb 0.62 -0.22 -0.10 0.00 1.08 0.00 0.00 40.66 42.04 3iyl h LEU 479 CO 0.04 1.34 -0.02 -0.07 -1.08 0.00 0.00 178.44 178.65 3iyl h LEU 480 N 0.20 -0.28 -0.12 1.67 -0.00 -0.77 -1.75 115.31 114.26 3iyl h LEU 480 Ca -0.08 0.14 -0.04 0.00 -0.00 0.00 0.00 57.88 57.90 3iyl h LEU 480 Cb 1.41 0.26 -0.00 0.00 -0.00 0.00 0.00 40.66 42.32 3iyl h LEU 480 CO 0.15 -0.11 -0.09 0.03 -0.00 0.00 0.00 178.44 178.42 3iyl h ARG 481 N 0.10 0.27 -0.67 1.13 3.08 -1.45 -3.08 114.38 113.76 3iyl h ARG 481 Ca 0.29 -0.13 0.22 0.00 0.07 0.00 0.00 59.98 60.42 3iyl h ARG 481 Cb 0.45 -0.00 -0.12 0.00 0.08 0.00 0.00 29.97 30.38 3iyl h ARG 481 CO -0.49 0.65 0.13 0.45 -1.07 0.00 0.00 179.97 179.63 3iyl n SER 482 N -4.65 0.02 -3.87 7.04 2.88 -0.43 -3.36 113.62 111.25 3iyl n SER 482 Ca -0.06 1.12 -0.30 0.00 -1.33 0.00 0.00 58.87 58.30 3iyl n SER 482 Cb 0.31 -0.45 -0.16 0.00 -0.75 0.00 0.00 64.21 63.16 3iyl n SER 482 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 3iyl s VAL 483 N -5.38 1.24 -0.30 2.46 -7.23 -1.03 -5.09 120.40 105.08 3iyl s VAL 483 Ca -0.08 -1.12 -0.17 0.00 -1.81 0.00 0.00 61.98 58.80 3iyl s VAL 483 Cb 0.21 -1.63 0.19 0.00 0.56 0.00 0.00 36.38 35.71 3iyl s VAL 483 CO 0.52 -0.20 1.18 0.28 -0.31 0.00 0.00 175.10 176.57 3iyl s THR 484 N 1.51 -0.13 -0.05 5.32 -1.32 -1.21 -4.78 115.64 114.97 3iyl s THR 484 Ca -0.02 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.46 3iyl s THR 484 Cb -0.18 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.81 3iyl s THR 484 CO -0.08 0.00 0.78 -0.81 -2.21 0.00 0.00 174.62 172.30 3iyl n PRO 485 N 4.17 0.80 -3.97 7.08 -0.04 -1.26 -4.66 135.00 137.13 3iyl n PRO 485 Ca -0.11 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.03 3iyl n PRO 485 Cb 0.55 -1.11 -0.14 0.00 -0.04 0.00 0.00 33.50 32.76 3iyl n PRO 485 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3iyl s LEU 486 N 0.00 4.79 -0.12 1.53 2.96 -1.26 -4.59 118.68 121.99 3iyl s LEU 486 Ca 0.00 -2.27 -0.25 0.00 -0.22 0.00 0.00 54.13 51.39 3iyl s LEU 486 Cb 0.00 -1.66 -0.02 0.00 0.50 0.00 0.00 46.19 45.00 3iyl s LEU 486 CO 0.00 -0.38 0.79 -0.69 -1.32 0.00 0.00 176.35 174.74 3iyl s VAL 487 N 0.75 4.95 -0.08 1.68 1.01 -0.50 -4.93 120.40 123.28 3iyl s VAL 487 Ca 0.12 1.57 -0.22 0.00 0.00 0.00 0.00 61.98 63.45 3iyl s VAL 487 Cb -0.20 -4.11 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 3iyl s VAL 487 CO -0.06 0.12 0.65 -0.76 0.00 0.00 0.00 175.10 175.05 3iyl s LEU 488 N 1.58 4.31 -0.42 3.92 2.01 -1.26 -0.62 118.68 128.20 3iyl s LEU 488 Ca 0.39 1.11 0.04 0.00 0.01 0.00 0.00 54.13 55.67 3iyl s LEU 488 Cb -0.17 -3.00 0.17 0.00 0.01 0.00 0.00 46.19 43.21 3iyl s LEU 488 CO 0.16 -0.09 0.36 -0.67 1.01 0.00 0.00 176.35 177.11 3iyl n ASP 489 N 3.75 -0.32 -0.13 2.29 4.64 -0.94 -4.95 116.55 120.89 3iyl n ASP 489 Ca -0.03 -2.42 -0.03 0.00 -1.38 0.00 0.00 54.79 50.93 3iyl n ASP 489 Cb 0.51 -0.56 -0.03 0.00 -1.04 0.00 0.00 41.12 40.00 3iyl n ASP 489 CO 0.00 0.00 0.00 -2.65 -0.82 0.00 0.00 177.20 173.73 3iyl n PRO 490 N 2.73 -0.14 -0.17 -0.67 -0.02 -1.26 -0.68 135.00 134.79 3iyl n PRO 490 Ca 0.29 0.56 0.06 0.00 -2.02 0.00 0.00 63.50 62.39 3iyl n PRO 490 Cb 0.48 -0.82 0.12 0.00 -0.02 0.00 0.00 33.50 33.26 3iyl n PRO 490 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3iyl n THR 491 N -4.08 -0.20 -0.03 3.45 -2.24 -1.26 -0.07 114.28 109.84 3iyl n THR 491 Ca 0.01 1.07 -0.05 0.00 -2.27 0.00 0.00 64.05 62.81 3iyl n THR 491 Cb 0.08 -1.54 -0.03 0.00 -2.10 0.00 0.00 70.33 66.74 3iyl n THR 491 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 3iyl h VAL 492 N 0.00 0.00 0.35 2.28 2.07 -1.29 0.63 116.25 120.29 3iyl h VAL 492 Ca 0.27 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.78 3iyl h VAL 492 Cb 0.53 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 3iyl h VAL 492 CO -0.46 0.00 -0.32 0.25 0.02 0.00 0.00 177.57 177.05 3iyl h LEU 493 N -0.16 -0.87 -0.89 2.57 7.12 -0.66 0.46 115.31 122.88 3iyl h LEU 493 Ca 0.02 0.07 0.16 0.00 0.13 0.00 0.00 57.88 58.26 3iyl h LEU 493 Cb 0.22 0.28 -0.16 0.00 -0.53 0.00 0.00 40.66 40.47 3iyl h LEU 493 CO -0.19 -0.43 -0.28 0.41 -0.13 0.00 0.00 178.44 177.81 3iyl n THR 494 N -4.33 -0.42 0.42 1.05 -1.04 -0.74 -0.63 114.28 108.59 3iyl n THR 494 Ca -0.08 2.06 -0.19 0.00 -2.04 0.00 0.00 64.05 63.80 3iyl n THR 494 Cb 0.30 -2.79 -0.09 0.00 -1.82 0.00 0.00 70.33 65.93 3iyl n THR 494 CO 0.00 0.00 0.00 -1.13 -0.64 0.00 0.00 175.07 173.30 3iyl h ASN 495 N 0.00 -0.98 -0.82 8.00 -0.73 0.59 0.54 115.58 122.19 3iyl h ASN 495 Ca 0.37 0.04 0.23 0.00 1.87 0.00 0.00 56.30 58.81 3iyl h ASN 495 Cb 0.59 0.27 -0.04 0.00 0.27 0.00 0.00 38.32 39.41 3iyl h ASN 495 CO -0.90 -0.67 0.58 0.00 -0.37 0.00 0.00 177.43 176.08 3iyl h ALA 496 N -0.88 2.70 0.09 1.57 0.00 0.14 -2.07 119.26 120.81 3iyl h ALA 496 Ca -0.10 -0.02 -0.30 0.00 0.00 0.00 0.00 54.91 54.49 3iyl h ALA 496 Cb 0.85 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 3iyl h ALA 496 CO 0.15 -0.93 -1.58 0.82 0.00 0.00 0.00 179.25 177.71 3iyl h ILE 497 N 0.05 0.87 -0.18 0.00 2.04 -0.79 -3.35 117.51 116.15 3iyl h ILE 497 Ca 0.39 -2.33 0.05 0.00 1.00 0.00 0.00 64.86 63.97 3iyl h ILE 497 Cb 1.49 2.54 -0.01 0.00 -0.74 0.00 0.00 36.82 40.10 3iyl h ILE 497 CO -0.02 0.69 0.27 0.00 0.00 0.00 0.00 178.15 179.08 3iyl h THR 498 N -0.33 0.30 -0.69 -0.27 1.03 0.74 -2.67 112.91 111.03 3iyl h THR 498 Ca -0.35 0.00 -0.42 0.00 -0.01 0.00 0.00 66.41 65.63 3iyl h THR 498 Cb 1.76 0.77 -0.20 0.00 -1.07 0.00 0.00 68.15 69.40 3iyl h THR 498 CO 0.01 0.00 0.54 0.35 -0.01 0.00 0.00 175.52 176.41 3iyl n THR 499 N -3.52 2.86 -4.68 0.00 -2.24 -0.86 -4.83 114.28 101.02 3iyl n THR 499 Ca 0.02 -1.80 -0.33 0.00 -2.27 0.00 0.00 64.05 59.66 3iyl n THR 499 Cb 0.38 -1.00 -0.13 0.00 -2.10 0.00 0.00 70.33 67.48 3iyl n THR 499 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3iyl s ILE 500 N -2.86 3.32 0.47 2.28 1.09 -1.01 -5.07 121.20 119.42 3iyl s ILE 500 Ca 0.42 -0.57 -0.23 0.00 -1.10 0.00 0.00 60.65 59.17 3iyl s ILE 500 Cb 0.34 -2.40 -0.07 0.00 -1.06 0.00 0.00 42.46 39.27 3iyl s ILE 500 CO 0.03 0.53 1.27 -0.94 -0.10 0.00 0.00 174.94 175.72 3iyl s SER 501 N 0.17 5.91 -0.26 3.58 1.04 -1.26 -5.02 113.70 117.87 3iyl s SER 501 Ca -0.06 2.55 -0.02 0.00 0.48 0.00 0.00 55.95 58.91 3iyl s SER 501 Cb -0.15 -2.62 0.14 0.00 0.10 0.00 0.00 66.02 63.49 3iyl s SER 501 CO 0.04 -1.11 0.40 -0.70 0.98 0.00 0.00 173.24 172.85 3iyl s GLU 502 N -2.64 0.38 0.36 4.02 2.12 -1.26 -4.76 118.70 116.91 3iyl s GLU 502 Ca 0.64 0.52 -0.27 0.00 0.36 0.00 0.00 54.97 56.23 3iyl s GLU 502 Cb -0.35 -0.35 -0.12 0.00 0.26 0.00 0.00 34.13 33.57 3iyl s GLU 502 CO 0.43 -0.70 1.19 -1.13 -0.54 0.00 0.00 175.26 174.51 3iyl n SER 503 N 5.37 2.21 -1.73 -1.70 3.41 -1.26 -4.87 113.62 115.05 3iyl n SER 503 Ca -0.03 1.16 0.08 0.00 -0.26 0.00 0.00 58.87 59.83 3iyl n SER 503 Cb 0.50 -1.43 0.38 0.00 -0.26 0.00 0.00 64.21 63.41 3iyl n SER 503 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3iyl n THR 504 N 0.10 2.30 -0.76 6.66 -2.24 -1.26 -3.87 114.28 115.21 3iyl n THR 504 Ca 0.07 -1.32 -0.11 0.00 -2.27 0.00 0.00 64.05 60.43 3iyl n THR 504 Cb 0.36 -0.07 0.22 0.00 -2.10 0.00 0.00 70.33 68.74 3iyl n THR 504 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3iyl n THR 505 N 0.86 2.65 -4.51 4.28 -2.24 -1.26 -4.86 114.28 109.21 3iyl n THR 505 Ca 0.27 -1.44 -0.25 0.00 -2.27 0.00 0.00 64.05 60.35 3iyl n THR 505 Cb 1.04 -0.47 -0.13 0.00 -2.10 0.00 0.00 70.33 68.67 3iyl n THR 505 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3iyl s GLN 506 N -2.65 1.29 -0.13 -0.78 2.00 -1.25 -5.08 119.66 113.06 3iyl s GLN 506 Ca 0.47 -1.04 -0.09 0.00 -2.00 0.00 0.00 55.36 52.70 3iyl s GLN 506 Cb 0.38 -1.48 -0.06 0.00 0.80 0.00 0.00 33.01 32.66 3iyl s GLN 506 CO 0.11 0.36 0.01 1.15 -0.50 0.00 0.00 175.29 176.42 3iyl h THR 507 N 4.24 0.26 -3.50 -0.34 2.02 -1.92 -3.45 112.91 110.22 3iyl h THR 507 Ca -0.44 -1.25 -0.53 0.00 0.77 0.00 0.00 66.41 64.96 3iyl h THR 507 Cb 1.17 0.55 0.06 0.00 -1.74 0.00 0.00 68.15 68.19 3iyl h THR 507 CO 0.42 0.09 0.74 -0.63 0.37 0.00 0.00 175.52 176.51 3iyl s ILE 508 N -2.00 2.60 -0.81 3.11 1.01 -1.26 -4.95 121.20 118.90 3iyl s ILE 508 Ca -0.11 0.53 -0.01 0.00 0.00 0.00 0.00 60.65 61.05 3iyl s ILE 508 Cb 0.01 -3.34 0.20 0.00 0.01 0.00 0.00 42.46 39.35 3iyl s ILE 508 CO 0.22 0.09 0.67 -0.55 0.00 0.00 0.00 174.94 175.38 3iyl s SER 509 N 0.18 5.67 0.28 3.58 0.15 -1.26 -4.94 113.70 117.36 3iyl s SER 509 Ca 0.57 -3.56 0.10 0.00 0.70 0.00 0.00 55.95 53.76 3iyl s SER 509 Cb -0.42 -1.86 0.87 0.00 -1.71 0.00 0.00 66.02 62.90 3iyl s SER 509 CO 0.47 -0.21 1.28 -2.65 1.20 0.00 0.00 173.24 173.33 3iyl n PRO 510 N 2.52 -0.06 0.09 5.44 -0.02 -1.26 -0.41 135.00 141.31 3iyl n PRO 510 Ca 0.18 1.17 -0.10 0.00 -2.02 0.00 0.00 63.50 62.73 3iyl n PRO 510 Cb 0.37 -1.98 -0.06 0.00 -0.02 0.00 0.00 33.50 31.80 3iyl n PRO 510 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3iyl h ILE 511 N 0.00 0.59 -0.68 4.25 2.04 -1.92 -3.22 117.51 118.57 3iyl h ILE 511 Ca 0.60 -0.95 0.20 0.00 1.00 0.00 0.00 64.86 65.70 3iyl h ILE 511 Cb 1.44 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 38.47 3iyl h ILE 511 CO -0.70 0.15 0.58 -1.28 0.00 0.00 0.00 178.15 176.90 3iyl h SER 512 N -0.94 0.00 0.00 1.72 0.87 -1.15 -2.30 113.55 111.75 3iyl h SER 512 Ca -0.03 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 3iyl h SER 512 Cb 0.48 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.44 3iyl h SER 512 CO 0.05 0.00 0.00 -0.62 -0.53 0.00 0.00 176.83 175.73 3iyl n GLU 513 N -3.96 0.00 -0.30 2.24 1.02 0.12 -2.35 120.64 117.41 3iyl n GLU 513 Ca 0.14 0.07 0.13 0.00 -0.02 0.00 0.00 57.16 57.47 3iyl n GLU 513 Cb 0.83 -1.01 0.30 0.00 -0.02 0.00 0.00 31.44 31.55 3iyl n GLU 513 CO 0.00 0.00 0.00 -0.84 1.18 0.00 0.00 177.13 177.47 3iyl h ILE 514 N 0.00 0.48 -0.60 -3.67 3.07 -1.63 1.18 117.51 116.34 3iyl h ILE 514 Ca 0.00 -0.14 0.17 0.00 1.55 0.00 0.00 64.86 66.45 3iyl h ILE 514 Cb 0.00 0.04 -0.02 0.00 -0.27 0.00 0.00 36.82 36.57 3iyl h ILE 514 CO 0.00 0.07 0.65 0.25 -1.05 0.00 0.00 178.15 178.08 3iyl h LEU 515 N 0.40 0.00 0.00 0.16 5.85 -1.45 0.45 115.31 120.72 3iyl h LEU 515 Ca 0.55 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.27 3iyl h LEU 515 Cb 1.05 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.08 3iyl h LEU 515 CO -0.53 0.00 -0.06 -1.14 -0.34 0.00 0.00 178.44 176.37 3iyl n ARG 516 N -3.60 0.06 -0.13 1.25 0.63 0.39 -4.61 116.66 110.64 3iyl n ARG 516 Ca 0.12 0.29 -0.04 0.00 -0.92 0.00 0.00 57.85 57.30 3iyl n ARG 516 Cb 0.87 -0.87 -0.03 0.00 0.45 0.00 0.00 32.46 32.88 3iyl n ARG 516 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 3iyl n LEU 517 N -2.54 -0.34 -3.25 6.15 7.99 -0.34 -2.51 117.00 122.16 3iyl n LEU 517 Ca -0.01 1.16 -0.22 0.00 -0.01 0.00 0.00 56.01 56.93 3iyl n LEU 517 Cb 0.03 -0.37 -0.05 0.00 -0.11 0.00 0.00 43.42 42.93 3iyl n LEU 517 CO 0.01 -0.76 1.48 -0.11 -1.51 0.00 0.00 177.39 176.50 3iyl n LEU 518 N -3.69 1.50 0.00 2.23 7.94 0.15 -3.73 117.00 121.41 3iyl n LEU 518 Ca 0.01 -1.65 0.00 0.00 -1.11 0.00 0.00 56.01 53.26 3iyl n LEU 518 Cb 0.08 -0.66 0.00 0.00 0.53 0.00 0.00 43.42 43.38 3iyl n LEU 518 CO -0.05 -1.10 0.00 1.67 -1.11 0.00 0.00 177.39 176.80 3iyl n GLN 519 N 6.04 0.28 0.00 1.96 0.00 -1.04 -4.86 117.38 119.75 3iyl n GLN 519 Ca 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.27 3iyl n GLN 519 Cb 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 30.24 30.41 3iyl n GLN 519 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.06 174.76 3iyl n PRO 520 N 0.00 0.00 -3.33 3.69 -0.02 -1.24 -5.02 135.00 129.07 3iyl n PRO 520 Ca 0.00 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.40 3iyl n PRO 520 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.41 3iyl n PRO 520 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3iyl s ASP 524 N -2.71 0.18 0.00 2.55 1.01 -1.26 -4.54 116.67 111.90 3iyl s ASP 524 Ca 0.00 0.19 0.00 0.00 0.71 0.00 0.00 52.55 53.45 3iyl s ASP 524 Cb 0.00 1.17 0.00 0.00 1.01 0.00 0.00 42.92 45.10 3iyl s ASP 524 CO 0.00 -0.30 0.00 -1.22 0.21 0.00 0.00 175.17 173.86 3iyl n TYR 525 N 5.37 0.00 -0.07 4.23 4.02 -1.26 -4.45 117.16 124.99 3iyl n TYR 525 Ca -0.03 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.82 3iyl n TYR 525 Cb 0.50 -0.96 0.18 0.00 -0.02 0.00 0.00 39.34 39.04 3iyl n TYR 525 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3iyl h ALA 526 N 0.00 1.12 -0.67 -0.72 0.00 -1.99 -2.44 119.26 114.56 3iyl h ALA 526 Ca 0.00 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 3iyl h ALA 526 Cb 0.00 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3iyl h ALA 526 CO 0.00 0.56 0.14 0.00 0.00 0.00 0.00 179.25 179.95 3iyl h ALA 527 N 1.28 0.98 0.44 0.00 0.00 -1.94 -1.67 119.26 118.35 3iyl h ALA 527 Ca 0.12 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3iyl h ALA 527 Cb 0.48 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3iyl h ALA 527 CO 0.03 0.65 -0.21 0.35 0.00 0.00 0.00 179.25 180.07 3iyl h PHE 528 N 1.02 -0.55 0.22 0.00 3.57 -1.74 -2.68 116.94 116.79 3iyl h PHE 528 Ca 0.21 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.70 3iyl h PHE 528 Cb 0.39 0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.29 3iyl h PHE 528 CO 0.03 -0.24 -0.40 -1.49 -2.23 0.00 0.00 178.31 173.98 3iyl h TRP 529 N -0.84 -1.14 -0.97 0.41 4.06 -1.48 -2.30 115.95 113.68 3iyl h TRP 529 Ca -0.06 0.02 0.32 0.00 2.06 0.00 0.00 58.89 61.23 3iyl h TRP 529 Cb 0.56 0.47 -0.16 0.00 -1.00 0.00 0.00 29.16 29.03 3iyl h TRP 529 CO 0.00 -0.49 0.44 0.87 -3.56 0.00 0.00 178.44 175.71 3iyl h LYS 530 N -0.67 0.20 -0.53 0.49 1.57 -1.38 0.80 116.57 117.05 3iyl h LYS 530 Ca -0.02 -0.01 0.11 0.00 -1.87 0.00 0.00 60.65 58.85 3iyl h LYS 530 Cb 0.63 -0.05 -0.09 0.00 0.08 0.00 0.00 32.23 32.80 3iyl h LYS 530 CO -0.15 0.13 -0.05 0.00 -0.57 0.00 0.00 179.45 178.82 3iyl h ILE 532 N 0.07 0.00 -1.25 0.00 2.04 0.67 -2.98 117.51 116.05 3iyl h ILE 532 Ca 0.26 -0.07 0.37 0.00 1.00 0.00 0.00 64.86 66.42 3iyl h ILE 532 Cb 0.41 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.39 3iyl h ILE 532 CO -0.48 0.00 0.83 0.00 0.00 0.00 0.00 178.15 178.50 3iyl h ALA 533 N -1.77 2.70 0.00 1.87 0.00 -0.68 1.43 119.26 122.82 3iyl h ALA 533 Ca -0.04 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3iyl h ALA 533 Cb 0.26 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3iyl h ALA 533 CO 0.06 -1.21 -0.22 1.03 0.00 0.00 0.00 179.25 178.91 3iyl h SER 534 N 0.17 0.00 -0.65 0.00 0.87 0.24 -2.54 113.55 111.63 3iyl h SER 534 Ca 0.71 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.28 3iyl h SER 534 Cb 2.25 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 64.18 3iyl h SER 534 CO -0.29 0.22 0.41 -0.50 -0.53 0.00 0.00 176.83 176.14 3iyl h TRP 535 N 0.00 0.85 0.00 2.24 6.55 0.21 -2.12 115.95 123.67 3iyl h TRP 535 Ca -0.00 0.01 -0.02 0.00 0.95 0.00 0.00 58.89 59.83 3iyl h TRP 535 Cb 0.40 -0.28 -0.00 0.00 -0.86 0.00 0.00 29.16 28.41 3iyl h TRP 535 CO 0.00 0.55 -0.07 0.00 -1.05 0.00 0.00 178.44 177.87 3iyl h ALA 536 N 1.56 1.60 -0.59 1.49 0.00 -1.49 -3.14 119.26 118.69 3iyl h ALA 536 Ca 0.24 -0.07 -0.41 0.00 0.00 0.00 0.00 54.91 54.67 3iyl h ALA 536 Cb -0.06 -0.01 -0.40 0.00 0.00 0.00 0.00 17.79 17.32 3iyl h ALA 536 CO -0.05 0.09 -0.91 0.66 0.00 0.00 0.00 179.25 179.04 3iyl n TYR 537 N -4.04 2.05 -0.20 0.00 4.02 -0.84 -2.48 117.16 115.66 3iyl n TYR 537 Ca -0.03 -2.11 0.15 0.00 -0.01 0.00 0.00 57.90 55.90 3iyl n TYR 537 Cb 0.16 -0.29 0.47 0.00 -0.02 0.00 0.00 39.34 39.66 3iyl n TYR 537 CO 0.00 0.00 0.00 -2.95 -1.01 0.00 0.00 176.86 172.90 3iyl h ASN 538 N 2.23 0.46 -0.48 7.72 7.08 -1.39 -0.86 115.58 130.34 3iyl h ASN 538 Ca 0.17 0.03 0.09 0.00 -3.08 0.00 0.00 56.30 53.51 3iyl h ASN 538 Cb 1.43 -0.06 -0.10 0.00 -2.08 0.00 0.00 38.32 37.51 3iyl h ASN 538 CO 0.51 0.23 -0.29 1.23 -2.08 0.00 0.00 177.43 177.03 3iyl h GLY 539 N 0.48 -0.08 0.37 9.14 0.00 -1.73 -3.11 103.07 108.15 3iyl h GLY 539 Ca 0.41 0.37 -0.02 0.00 0.00 0.00 0.00 47.33 48.09 3iyl h GLY 539 CO -0.15 -0.21 -0.17 1.41 0.00 0.00 0.00 176.54 177.42 3iyl h LEU 540 N -0.18 -0.40 -7.83 3.11 -0.00 -1.38 -3.45 115.31 105.18 3iyl h LEU 540 Ca 0.21 -0.03 -0.49 0.00 -0.00 0.00 0.00 57.88 57.57 3iyl h LEU 540 Cb 0.52 0.10 -0.35 0.00 -0.00 0.00 0.00 40.66 40.94 3iyl h LEU 540 CO -0.58 0.05 -0.80 0.54 -0.00 0.00 0.00 178.44 177.65 3iyl s VAL 541 N -3.21 0.94 -0.17 1.22 0.11 -0.46 -3.78 120.40 115.04 3iyl s VAL 541 Ca -0.08 -0.32 -0.04 0.00 -2.93 0.00 0.00 61.98 58.61 3iyl s VAL 541 Cb 0.01 -0.91 -0.03 0.00 -1.53 0.00 0.00 36.38 33.92 3iyl s VAL 541 CO 0.25 0.33 -0.02 0.42 -3.33 0.00 0.00 175.10 172.75 3iyl s THR 542 N 1.07 4.02 1.11 5.04 -4.23 -1.16 -3.96 115.64 117.54 3iyl s THR 542 Ca -0.07 -0.31 -0.12 0.00 -1.18 0.00 0.00 61.69 60.00 3iyl s THR 542 Cb -0.14 -2.78 0.26 0.00 1.34 0.00 0.00 72.50 71.17 3iyl s THR 542 CO -0.01 0.48 1.05 0.42 -0.54 0.00 0.00 174.62 176.02 3iyl s THR 543 N 0.47 2.05 0.04 3.99 -4.23 -1.26 -3.55 115.64 113.16 3iyl s THR 543 Ca -0.02 0.02 -0.17 0.00 -1.18 0.00 0.00 61.69 60.33 3iyl s THR 543 Cb -0.14 -2.13 0.03 0.00 1.34 0.00 0.00 72.50 71.60 3iyl s THR 543 CO 0.02 -0.02 0.40 -0.69 -0.54 0.00 0.00 174.62 173.79 3iyl s VAL 544 N -2.55 0.06 0.02 2.29 1.01 0.49 -2.34 120.40 119.38 3iyl s VAL 544 Ca 0.68 -0.49 -0.30 0.00 0.00 0.00 0.00 61.98 61.87 3iyl s VAL 544 Cb -0.24 -0.95 -0.06 0.00 0.00 0.00 0.00 36.38 35.13 3iyl s VAL 544 CO 0.63 -0.27 1.39 -0.76 0.00 0.00 0.00 175.10 176.09 3iyl s LEU 545 N -2.01 4.33 -0.19 3.92 2.01 -1.26 -0.66 118.68 124.81 3iyl s LEU 545 Ca -0.05 2.14 -0.29 0.00 0.01 0.00 0.00 54.13 55.94 3iyl s LEU 545 Cb -0.01 -3.57 -0.05 0.00 0.01 0.00 0.00 46.19 42.58 3iyl s LEU 545 CO -0.03 -0.70 1.96 -0.55 1.01 0.00 0.00 176.35 178.05 3iyl s SER 546 N 1.73 5.92 0.17 2.29 0.15 0.14 -4.83 113.70 119.27 3iyl s SER 546 Ca 0.64 1.87 -0.00 0.00 0.70 0.00 0.00 55.95 59.15 3iyl s SER 546 Cb -0.32 -2.52 0.40 0.00 -1.71 0.00 0.00 66.02 61.87 3iyl s SER 546 CO 0.27 -1.59 0.90 1.21 1.20 0.00 0.00 173.24 175.23 3iyl n GLU 547 N 8.23 -0.05 0.04 5.44 2.13 -1.26 0.11 120.64 135.28 3iyl n GLU 547 Ca 0.24 0.87 0.09 0.00 0.66 0.00 0.00 57.16 59.03 3iyl n GLU 547 Cb 0.45 -1.37 0.53 0.00 0.27 0.00 0.00 31.44 31.32 3iyl n GLU 547 CO 0.00 0.00 0.00 0.38 -0.41 0.00 0.00 177.13 177.10 3iyl h ASP 548 N 0.00 0.27 -0.53 4.31 2.03 -1.98 -3.08 116.42 117.43 3iyl h ASP 548 Ca 0.33 -0.00 -0.32 0.00 -0.73 0.00 0.00 57.03 56.31 3iyl h ASP 548 Cb 0.65 -0.06 -0.12 0.00 -0.83 0.00 0.00 39.33 38.97 3iyl h ASP 548 CO -0.55 0.18 0.16 0.00 -1.03 0.00 0.00 179.24 177.99 3iyl n ALA 549 N -2.52 5.81 -2.53 4.15 0.00 0.30 -4.83 120.51 120.88 3iyl n ALA 549 Ca 0.04 -2.04 -0.27 0.00 0.00 0.00 0.00 53.44 51.18 3iyl n ALA 549 Cb 0.23 -1.86 -0.16 0.00 0.00 0.00 0.00 19.45 17.66 3iyl n ALA 549 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3iyl s PHE 550 N -0.88 1.79 0.15 0.00 0.40 -1.17 -4.86 117.98 113.42 3iyl s PHE 550 Ca 0.47 -0.38 -0.34 0.00 -0.60 0.00 0.00 56.93 56.08 3iyl s PHE 550 Cb 0.29 -1.16 -0.14 0.00 0.51 0.00 0.00 43.02 42.51 3iyl s PHE 550 CO -0.09 -0.06 1.56 -0.35 0.70 0.00 0.00 175.22 176.98 3iyl n PRO 551 N 2.70 2.07 -1.97 0.24 -0.04 -1.26 -4.86 135.00 131.88 3iyl n PRO 551 Ca -0.16 0.75 -0.39 0.00 -0.04 0.00 0.00 63.50 63.66 3iyl n PRO 551 Cb 0.53 -2.50 0.01 0.00 -0.04 0.00 0.00 33.50 31.50 3iyl n PRO 551 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 3iyl s ASP 552 N 0.88 5.95 0.00 3.54 -4.77 -1.26 -4.89 116.67 116.12 3iyl s ASP 552 Ca 0.79 2.68 0.00 0.00 -3.30 0.00 0.00 52.55 52.72 3iyl s ASP 552 Cb -0.70 -2.64 0.00 0.00 -1.09 0.00 0.00 42.92 38.49 3iyl s ASP 552 CO 0.39 -1.10 1.37 -1.20 0.70 0.00 0.00 175.17 175.32 3iyl n SER 553 N -0.31 3.68 0.00 2.11 7.64 -1.26 -3.03 113.62 122.44 3iyl n SER 553 Ca 0.06 -1.96 0.00 0.00 1.01 0.00 0.00 58.87 57.99 3iyl n SER 553 Cb 0.44 -0.77 0.00 0.00 -1.01 0.00 0.00 64.21 62.88 3iyl n SER 553 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3iyl n SER 554 N 1.55 0.21 -4.42 6.43 7.64 -1.26 -5.03 113.62 118.73 3iyl n SER 554 Ca 0.00 -0.58 -0.28 0.00 1.01 0.00 0.00 58.87 59.02 3iyl n SER 554 Cb 0.36 0.70 -0.12 0.00 -1.01 0.00 0.00 64.21 64.14 3iyl n SER 554 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 3iyl s GLN 555 N -0.70 1.51 0.00 1.43 -1.52 -1.17 -5.15 119.66 114.06 3iyl s GLN 555 Ca 0.00 -1.45 0.00 0.00 -1.95 0.00 0.00 55.36 51.96 3iyl s GLN 555 Cb 0.00 -1.88 0.00 0.00 -0.22 0.00 0.00 33.01 30.91 3iyl s GLN 555 CO 0.00 0.42 0.00 -1.13 -0.25 0.00 0.00 175.29 174.33 3iyl n SER 556 N 0.49 0.00 0.00 5.90 3.41 -1.26 -4.80 113.62 117.37 3iyl n SER 556 Ca -0.14 -0.93 0.06 0.00 -0.26 0.00 0.00 58.87 57.60 3iyl n SER 556 Cb 0.55 0.00 0.34 0.00 -0.26 0.00 0.00 64.21 64.84 3iyl n SER 556 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3iyl n ILE 557 N -1.01 0.00 0.19 -1.33 3.06 -1.16 -2.69 119.36 116.42 3iyl n ILE 557 Ca 0.00 0.00 0.09 0.00 -2.50 0.00 0.00 62.75 60.34 3iyl n ILE 557 Cb 0.00 -0.18 0.12 0.00 0.54 0.00 0.00 39.64 40.11 3iyl n ILE 557 CO 0.00 0.00 0.00 0.71 -2.50 0.00 0.00 176.55 174.76 3iyl h THR 558 N 0.00 0.31 -2.71 9.51 1.35 -1.94 -3.43 112.91 116.00 3iyl h THR 558 Ca 0.00 -1.44 -0.55 0.00 -0.55 0.00 0.00 66.41 63.87 3iyl h THR 558 Cb 0.00 2.15 -0.02 0.00 -1.73 0.00 0.00 68.15 68.55 3iyl h THR 558 CO 0.00 0.18 1.03 -2.28 -0.25 0.00 0.00 175.52 174.19 3iyl s HIS 559 N -3.12 2.26 -0.35 4.73 5.65 -1.09 -4.90 115.29 118.46 3iyl s HIS 559 Ca 0.06 0.46 0.21 0.00 0.25 0.00 0.00 55.06 56.04 3iyl s HIS 559 Cb 0.06 -3.79 0.24 0.00 -1.18 0.00 0.00 32.58 27.91 3iyl s HIS 559 CO 0.70 -3.15 1.51 1.25 -0.65 0.00 0.00 174.74 174.40 3iyl h LEU 560 N 10.10 0.00 -0.07 8.88 5.85 -1.89 -3.04 115.31 135.14 3iyl h LEU 560 Ca -0.35 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.37 3iyl h LEU 560 Cb 1.15 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.18 3iyl h LEU 560 CO 0.96 0.13 0.00 -0.65 -0.34 0.00 0.00 178.44 178.54 3iyl h PRO 561 N 0.00 0.00 0.00 5.25 0.11 -1.97 -2.99 132.00 132.40 3iyl h PRO 561 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3iyl h PRO 561 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3iyl h PRO 561 CO 0.02 0.00 -1.18 0.43 -0.21 0.00 0.00 178.00 177.05 3iyl n SER 562 N -2.42 0.57 0.10 -2.05 7.64 -1.21 -2.51 113.62 113.74 3iyl n SER 562 Ca 0.05 -0.04 -0.17 0.00 1.01 0.00 0.00 58.87 59.72 3iyl n SER 562 Cb 0.43 0.91 -0.11 0.00 -1.01 0.00 0.00 64.21 64.43 3iyl n SER 562 CO 0.00 0.00 0.00 -0.03 -3.01 0.00 0.00 175.04 172.00 3iyl h MET 563 N 0.00 0.39 0.13 1.43 -1.53 -1.41 -1.95 114.93 111.99 3iyl h MET 563 Ca 0.00 -0.56 -0.28 0.00 -3.44 0.00 0.00 59.70 55.42 3iyl h MET 563 Cb 0.84 0.19 0.02 0.00 -0.55 0.00 0.00 31.60 32.10 3iyl h MET 563 CO 0.00 1.24 -1.23 -1.49 0.14 0.00 0.00 176.91 175.57 3iyl h TRP 564 N 0.15 0.71 -0.61 1.39 -0.00 -1.65 -2.46 115.95 113.49 3iyl h TRP 564 Ca -0.14 -0.47 0.01 0.00 -0.00 0.00 0.00 58.89 58.28 3iyl h TRP 564 Cb 1.88 -0.04 -0.03 0.00 -0.00 0.00 0.00 29.16 30.96 3iyl h TRP 564 CO 0.08 1.34 0.40 0.87 -0.00 0.00 0.00 178.44 181.13 3iyl h LYS 565 N 0.16 0.80 0.00 0.49 1.57 -1.52 -2.01 116.57 116.07 3iyl h LYS 565 Ca -0.16 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.48 3iyl h LYS 565 Cb 1.92 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 34.04 3iyl h LYS 565 CO 0.22 0.54 -0.44 0.00 -0.57 0.00 0.00 179.45 179.19 3iyl h LEU 567 N 0.00 0.70 -0.46 0.00 5.85 -0.95 -2.88 115.31 117.58 3iyl h LEU 567 Ca -0.00 -0.40 0.00 0.00 0.84 0.00 0.00 57.88 58.31 3iyl h LEU 567 Cb 0.95 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.79 3iyl h LEU 567 CO 0.06 0.95 0.00 0.49 -0.34 0.00 0.00 178.44 179.60 3iyl n PHE 568 N -4.36 0.54 -0.03 1.25 0.99 -0.80 -2.26 117.46 112.79 3iyl n PHE 568 Ca -0.03 0.21 -0.15 0.00 -0.00 0.00 0.00 57.45 57.48 3iyl n PHE 568 Cb 0.39 -0.84 -0.12 0.00 -1.00 0.00 0.00 39.48 37.90 3iyl n PHE 568 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 3iyl h LEU 569 N 0.00 0.15 0.25 4.37 3.38 -1.28 -3.27 115.31 118.92 3iyl h LEU 569 Ca 0.00 -0.85 -0.01 0.00 0.09 0.00 0.00 57.88 57.11 3iyl h LEU 569 Cb 0.33 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3iyl h LEU 569 CO 0.00 0.99 -0.19 0.74 0.09 0.00 0.00 178.44 180.06 3iyl h THR 570 N -0.66 0.00 -0.79 0.22 2.02 -1.32 -1.42 112.91 110.96 3iyl h THR 570 Ca -0.03 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.25 3iyl h THR 570 Cb 1.03 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 67.32 3iyl h THR 570 CO 0.04 0.00 -0.48 -0.07 0.37 0.00 0.00 175.52 175.38 3iyl h LEU 571 N -0.43 -1.69 0.00 2.58 3.38 -1.66 0.88 115.31 118.37 3iyl h LEU 571 Ca -0.03 0.29 0.00 0.00 0.09 0.00 0.00 57.88 58.22 3iyl h LEU 571 Cb 0.36 0.78 0.00 0.00 0.09 0.00 0.00 40.66 41.89 3iyl h LEU 571 CO 0.01 -0.30 0.00 0.00 0.09 0.00 0.00 178.44 178.24 3iyl n ALA 572 N -3.25 1.83 0.09 1.53 0.00 -1.20 -4.05 120.51 115.45 3iyl n ALA 572 Ca 0.04 -0.06 -0.08 0.00 0.00 0.00 0.00 53.44 53.33 3iyl n ALA 572 Cb 0.34 -1.19 -0.04 0.00 0.00 0.00 0.00 19.45 18.55 3iyl n ALA 572 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3iyl h GLY 573 N 1.87 -1.07 1.39 0.00 0.00 0.20 -2.87 103.07 102.58 3iyl h GLY 573 Ca 0.00 0.50 0.07 0.00 0.00 0.00 0.00 47.33 47.90 3iyl h GLY 573 CO 0.00 -0.35 0.24 -2.55 0.00 0.00 0.00 176.54 173.89 3iyl h PRO 574 N -0.38 0.00 -0.02 4.80 0.11 -1.74 -2.97 132.00 131.79 3iyl h PRO 574 Ca -0.02 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.12 3iyl h PRO 574 Cb 0.36 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.44 3iyl h PRO 574 CO -0.08 0.00 -0.11 1.98 -0.21 0.00 0.00 178.00 179.59 3iyl h MET 575 N 0.00 -0.17 -6.81 1.05 4.05 -1.75 -3.42 114.93 107.88 3iyl h MET 575 Ca 0.11 0.01 -0.52 0.00 -0.28 0.00 0.00 59.70 59.02 3iyl h MET 575 Cb 0.59 0.04 0.05 0.00 -0.80 0.00 0.00 31.60 31.48 3iyl h MET 575 CO -0.00 -0.11 0.62 -0.08 0.23 0.00 0.00 176.91 177.57 3iyl s THR 576 N -6.16 2.96 -1.07 -0.77 -1.32 -1.12 -4.73 115.64 103.43 3iyl s THR 576 Ca -0.14 0.90 0.23 0.00 -1.21 0.00 0.00 61.69 61.47 3iyl s THR 576 Cb 0.08 -3.58 0.23 0.00 -1.51 0.00 0.00 72.50 67.72 3iyl s THR 576 CO 0.67 0.19 1.74 -1.54 -2.21 0.00 0.00 174.62 173.47 3iyl n SER 577 N 1.40 0.00 -4.68 8.08 3.41 -1.26 -4.90 113.62 115.67 3iyl n SER 577 Ca 0.02 0.41 -0.51 0.00 -0.26 0.00 0.00 58.87 58.53 3iyl n SER 577 Cb 0.42 -0.46 -0.05 0.00 -0.26 0.00 0.00 64.21 63.86 3iyl n SER 577 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3iyl n ASP 578 N -1.46 2.97 0.00 4.04 2.03 -0.99 -4.81 116.55 118.33 3iyl n ASP 578 Ca 0.06 1.03 0.00 0.00 0.52 0.00 0.00 54.79 56.40 3iyl n ASP 578 Cb 0.25 -1.30 0.00 0.00 -0.72 0.00 0.00 41.12 39.35 3iyl n ASP 578 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 3iyl n PRO 579 N 5.54 0.00 0.00 -0.67 -0.02 -1.26 -1.88 135.00 136.71 3iyl n PRO 579 Ca 0.23 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 3iyl n PRO 579 Cb 0.24 -1.10 0.00 0.00 -0.02 0.00 0.00 33.50 32.62 3iyl n PRO 579 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3iyl n HIS 580 N -0.47 0.00 -0.12 6.00 8.25 -1.26 -4.87 115.22 122.75 3iyl n HIS 580 Ca 0.00 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.49 3iyl n HIS 580 Cb 0.00 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.18 3iyl n HIS 580 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3iyl n SER 581 N -0.58 -0.09 0.20 0.41 7.64 -0.79 0.92 113.62 121.34 3iyl n SER 581 Ca 0.00 0.59 -0.15 0.00 1.01 0.00 0.00 58.87 60.32 3iyl n SER 581 Cb 0.00 -0.19 -0.08 0.00 -1.01 0.00 0.00 64.21 62.92 3iyl n SER 581 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3iyl h PRO 582 N 0.00 -0.76 -0.61 1.43 0.13 -1.89 0.20 132.00 130.49 3iyl h PRO 582 Ca 0.18 0.05 0.08 0.00 -0.87 0.00 0.00 66.00 65.44 3iyl h PRO 582 Cb 0.33 0.17 -0.06 0.00 0.13 0.00 0.00 31.00 31.56 3iyl h PRO 582 CO -0.34 -0.51 0.28 0.28 -0.23 0.00 0.00 178.00 177.48 3iyl h VAL 583 N -0.79 0.85 -0.93 1.56 2.07 0.18 0.13 116.25 119.32 3iyl h VAL 583 Ca -0.04 -0.17 0.02 0.00 0.82 0.00 0.00 66.70 67.33 3iyl h VAL 583 Cb 0.71 0.31 -0.05 0.00 -1.52 0.00 0.00 31.29 30.73 3iyl h VAL 583 CO -0.11 0.09 0.61 0.11 0.02 0.00 0.00 177.57 178.30 3iyl h LYS 584 N 0.50 1.18 -0.35 1.57 1.57 -1.17 0.18 116.57 120.04 3iyl h LYS 584 Ca 0.30 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.95 3iyl h LYS 584 Cb 0.30 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 3iyl h LYS 584 CO -0.25 0.78 -0.02 0.28 -0.57 0.00 0.00 179.45 179.67 3iyl h VAL 585 N 1.21 1.26 -0.29 0.50 2.07 0.43 0.02 116.25 121.46 3iyl h VAL 585 Ca 0.36 -1.02 0.01 0.00 0.82 0.00 0.00 66.70 66.87 3iyl h VAL 585 Cb -0.06 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 3iyl h VAL 585 CO -0.10 0.34 0.16 0.15 0.02 0.00 0.00 177.57 178.14 3iyl h PHE 586 N 0.44 0.31 0.91 1.57 3.57 -0.02 -3.08 116.94 120.65 3iyl h PHE 586 Ca 0.10 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.56 3iyl h PHE 586 Cb 0.49 -0.10 0.01 0.00 2.79 0.00 0.00 35.95 39.14 3iyl h PHE 586 CO 0.04 0.18 -0.44 1.98 -2.23 0.00 0.00 178.31 177.85 3iyl h MET 587 N 0.34 -1.17 -0.30 1.11 4.05 -0.52 0.79 114.93 119.21 3iyl h MET 587 Ca 0.11 0.08 0.08 0.00 -0.28 0.00 0.00 59.70 59.69 3iyl h MET 587 Cb 0.00 0.27 -0.06 0.00 -0.80 0.00 0.00 31.60 31.01 3iyl h MET 587 CO -0.05 -0.78 -0.00 0.00 0.23 0.00 0.00 176.91 176.30 3iyl n ALA 588 N -2.62 0.15 -0.08 0.39 0.00 -0.02 0.41 120.51 118.74 3iyl n ALA 588 Ca -0.16 0.33 -0.09 0.00 0.00 0.00 0.00 53.44 53.52 3iyl n ALA 588 Cb 0.48 -0.23 -0.04 0.00 0.00 0.00 0.00 19.45 19.66 3iyl n ALA 588 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3iyl h LEU 589 N 0.00 0.00 -1.00 0.00 6.46 -1.55 -2.71 115.31 116.51 3iyl h LEU 589 Ca 0.18 -0.17 0.40 0.00 -0.12 0.00 0.00 57.88 58.17 3iyl h LEU 589 Cb 0.36 0.00 -0.18 0.00 -0.73 0.00 0.00 40.66 40.11 3iyl h LEU 589 CO -0.29 0.93 0.51 0.00 -0.62 0.00 0.00 178.44 178.97 3iyl h ALA 590 N -0.83 2.08 0.53 1.25 0.00 0.24 0.36 119.26 122.89 3iyl h ALA 590 Ca -0.09 0.27 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 3iyl h ALA 590 Cb 0.68 0.33 0.01 0.00 0.00 0.00 0.00 17.79 18.80 3iyl h ALA 590 CO -0.06 -0.89 -0.26 -0.97 0.00 0.00 0.00 179.25 177.08 3iyl h ASN 591 N 0.04 -0.61 -0.24 0.00 -0.73 0.80 -3.24 115.58 111.60 3iyl h ASN 591 Ca 0.82 0.02 0.07 0.00 1.87 0.00 0.00 56.30 59.08 3iyl h ASN 591 Cb 2.11 0.16 -0.01 0.00 0.27 0.00 0.00 38.32 40.85 3iyl h ASN 591 CO -0.76 -0.33 0.27 0.25 -0.37 0.00 0.00 177.43 176.49 3iyl h LEU 592 N -0.91 0.00 -4.32 0.34 6.46 -0.06 -2.45 115.31 114.37 3iyl h LEU 592 Ca -0.07 0.00 -0.63 0.00 -0.12 0.00 0.00 57.88 57.05 3iyl h LEU 592 Cb 0.55 0.00 -0.37 0.00 -0.73 0.00 0.00 40.66 40.11 3iyl h LEU 592 CO 0.12 0.00 -0.08 0.00 -0.62 0.00 0.00 178.44 177.86 3iyl n LEU 593 N -3.76 5.91 0.26 2.25 -0.00 0.11 -3.00 117.00 118.77 3iyl n LEU 593 Ca 0.03 -4.84 -0.15 0.00 -0.00 0.00 0.00 56.01 51.04 3iyl n LEU 593 Cb 0.41 -0.65 -0.08 0.00 -0.00 0.00 0.00 43.42 43.09 3iyl n LEU 593 CO 0.27 1.96 0.64 0.00 -0.00 0.00 0.00 177.39 180.27 3iyl h ALA 594 N 2.46 -0.62 -0.85 1.47 0.00 -1.47 -1.42 119.26 118.83 3iyl h ALA 594 Ca 0.43 -0.17 0.21 0.00 0.00 0.00 0.00 54.91 55.38 3iyl h ALA 594 Cb 0.88 0.24 -0.15 0.00 0.00 0.00 0.00 17.79 18.76 3iyl h ALA 594 CO 1.08 -0.79 0.00 0.37 0.00 0.00 0.00 179.25 179.91 3iyl h GLN 595 N -0.74 0.07 0.00 0.00 5.75 -1.87 -2.69 115.11 115.62 3iyl h GLN 595 Ca -0.06 -0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.41 3iyl h GLN 595 Cb 0.54 -0.02 -0.00 0.00 1.07 0.00 0.00 27.48 29.07 3iyl h GLN 595 CO 0.10 0.05 -0.13 -1.35 -2.65 0.00 0.00 178.83 174.85 3iyl h PRO 596 N 0.07 0.00 -4.13 -2.39 0.11 -1.95 -3.44 132.00 120.27 3iyl h PRO 596 Ca 0.48 0.00 -0.76 0.00 0.11 0.00 0.00 66.00 65.83 3iyl h PRO 596 Cb 0.89 0.00 -0.24 0.00 0.11 0.00 0.00 31.00 31.76 3iyl h PRO 596 CO -0.77 0.75 -0.24 -1.21 -0.21 0.00 0.00 178.00 176.31 3iyl s GLU 597 N -2.08 2.97 0.00 1.05 8.01 -0.54 -4.80 118.70 123.31 3iyl s GLU 597 Ca -0.16 -1.66 -0.17 0.00 0.01 0.00 0.00 54.97 53.00 3iyl s GLU 597 Cb -0.01 -4.26 -0.06 0.00 -4.31 0.00 0.00 34.13 25.49 3iyl s GLU 597 CO 0.51 -1.28 0.47 -1.25 0.01 0.00 0.00 175.26 173.73 3iyl s PRO 598 N 1.60 4.09 0.16 0.39 0.04 -1.25 -4.38 135.00 135.65 3iyl s PRO 598 Ca 0.03 0.53 0.01 0.00 0.04 0.00 0.00 61.00 61.61 3iyl s PRO 598 Cb -0.29 -3.27 -0.04 0.00 0.04 0.00 0.00 34.50 30.94 3iyl s PRO 598 CO 0.03 0.57 0.01 0.96 0.04 0.00 0.00 177.00 178.62 3iyl s ILE 599 N -0.77 0.54 0.09 0.56 -4.36 -1.26 -4.70 121.20 111.31 3iyl s ILE 599 Ca 0.26 -1.96 -0.31 0.00 -0.26 0.00 0.00 60.65 58.38 3iyl s ILE 599 Cb -0.17 -2.07 -0.07 0.00 1.25 0.00 0.00 42.46 41.40 3iyl s ILE 599 CO 0.15 -0.50 1.27 0.00 0.24 0.00 0.00 174.94 176.09 3iyl s ALA 600 N -3.75 3.47 -0.41 2.27 0.00 -1.26 -4.88 121.76 117.20 3iyl s ALA 600 Ca 0.23 0.96 0.02 0.00 0.00 0.00 0.00 51.96 53.16 3iyl s ALA 600 Cb 0.06 -3.48 0.12 0.00 0.00 0.00 0.00 23.12 19.83 3iyl s ALA 600 CO 0.03 -0.49 0.19 0.42 0.00 0.00 0.00 175.76 175.91 3iyl s ILE 601 N 0.98 1.43 0.00 0.00 -1.09 -1.26 -2.82 121.20 118.44 3iyl s ILE 601 Ca 0.60 -2.33 0.00 0.00 -2.23 0.00 0.00 60.65 56.70 3iyl s ILE 601 Cb -0.32 -2.02 0.00 0.00 -1.58 0.00 0.00 42.46 38.53 3iyl s ILE 601 CO 0.30 -0.82 0.00 0.61 -1.23 0.00 0.00 174.94 173.81 3iyl n GLY 602 N 3.87 0.00 3.79 6.18 0.00 -1.26 -4.76 105.19 113.01 3iyl n GLY 602 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 3iyl n GLY 602 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3iyl s VAL 603 N 0.00 3.54 0.41 1.61 -7.23 -1.26 -5.02 120.40 112.45 3iyl s VAL 603 Ca 0.00 0.92 -0.25 0.00 -1.81 0.00 0.00 61.98 60.84 3iyl s VAL 603 Cb 0.00 -3.37 -0.08 0.00 0.56 0.00 0.00 36.38 33.49 3iyl s VAL 603 CO 0.00 -0.24 1.26 -2.16 -0.31 0.00 0.00 175.10 173.65 3iyl s PRO 604 N -3.38 3.94 0.00 4.82 0.04 -1.26 -3.17 135.00 136.00 3iyl s PRO 604 Ca 0.69 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.79 3iyl s PRO 604 Cb -0.19 -2.70 0.00 0.00 0.04 0.00 0.00 34.50 31.65 3iyl s PRO 604 CO 0.25 -0.48 0.00 0.41 0.04 0.00 0.00 177.00 177.22 3iyl n GLY 605 N 0.66 0.58 2.53 0.56 0.00 -1.26 -5.00 105.19 103.26 3iyl n GLY 605 Ca 0.04 -0.79 -0.16 0.00 0.00 0.00 0.00 46.02 45.11 3iyl n GLY 605 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3iyl n MET 606 N -1.29 0.46 -2.40 1.61 2.81 -1.19 -5.09 117.12 112.04 3iyl n MET 606 Ca 0.00 -2.60 -0.29 0.00 -1.81 0.00 0.00 57.70 53.00 3iyl n MET 606 Cb 0.36 -1.51 -0.00 0.00 -0.71 0.00 0.00 33.22 31.36 3iyl n MET 606 CO 0.00 0.00 0.00 -1.01 1.51 0.00 0.00 175.97 176.47 3iyl s HIS 607 N 0.24 3.58 -0.93 2.03 3.76 -1.26 -4.82 115.29 117.88 3iyl s HIS 607 Ca 0.32 1.01 0.00 0.00 -0.15 0.00 0.00 55.06 56.24 3iyl s HIS 607 Cb 0.07 -2.46 0.00 0.00 1.11 0.00 0.00 32.58 31.30 3iyl s HIS 607 CO -0.14 -0.40 0.80 0.94 -0.85 0.00 0.00 174.74 175.08 3iyl n GLN 608 N -2.32 0.00 -0.43 1.40 7.27 -1.26 0.89 117.38 122.93 3iyl n GLN 608 Ca 0.03 0.32 0.08 0.00 0.07 0.00 0.00 57.00 57.49 3iyl n GLN 608 Cb 0.55 -1.59 0.25 0.00 2.41 0.00 0.00 30.24 31.86 3iyl n GLN 608 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 3iyl n THR 609 N -1.30 1.98 -2.51 1.69 -2.24 -1.26 -4.14 114.28 106.50 3iyl n THR 609 Ca 0.00 -1.58 -0.43 0.00 -2.27 0.00 0.00 64.05 59.77 3iyl n THR 609 Cb 0.09 -0.04 -0.02 0.00 -2.10 0.00 0.00 70.33 68.25 3iyl n THR 609 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3iyl s THR 610 N -2.31 4.41 0.00 4.28 2.01 0.26 -4.83 115.64 119.46 3iyl s THR 610 Ca 0.39 1.71 0.00 0.00 0.31 0.00 0.00 61.69 64.10 3iyl s THR 610 Cb 0.29 -4.10 0.00 0.00 0.01 0.00 0.00 72.50 68.70 3iyl s THR 610 CO 0.12 -0.10 0.52 -2.65 -0.69 0.00 0.00 174.62 171.82 3iyl n PRO 611 N 6.09 0.00 0.00 4.92 -0.02 -1.26 -4.71 135.00 140.01 3iyl n PRO 611 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 3iyl n PRO 611 Cb 0.46 -0.56 0.00 0.00 -0.02 0.00 0.00 33.50 33.38 3iyl n PRO 611 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3iyl n ALA 612 N 2.44 0.00 -0.23 3.55 0.00 -1.26 -0.06 120.51 124.94 3iyl n ALA 612 Ca 0.00 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.64 3iyl n ALA 612 Cb 0.26 0.00 0.35 0.00 0.00 0.00 0.00 19.45 20.06 3iyl n ALA 612 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3iyl n SER 613 N 0.00 0.14 -1.15 0.00 3.41 -1.26 -1.25 113.62 113.51 3iyl n SER 613 Ca 0.00 0.79 0.00 0.00 -0.26 0.00 0.00 58.87 59.40 3iyl n SER 613 Cb 0.00 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.56 3iyl n SER 613 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 3iyl n GLN 614 N -3.89 0.62 -1.28 4.33 -0.06 0.91 -3.99 117.38 114.02 3iyl n GLN 614 Ca 0.21 0.00 -0.15 0.00 -2.00 0.00 0.00 57.00 55.07 3iyl n GLN 614 Cb 0.80 -1.19 0.12 0.00 -4.06 0.00 0.00 30.24 25.92 3iyl n GLN 614 CO 0.00 0.00 0.00 1.19 -0.20 0.00 0.00 177.06 178.05 3iyl n PHE 615 N 0.90 1.89 0.24 3.69 3.01 -0.38 -4.85 117.46 121.97 3iyl n PHE 615 Ca 0.00 -2.03 0.10 0.00 1.01 0.00 0.00 57.45 56.54 3iyl n PHE 615 Cb 0.31 -0.58 0.61 0.00 -0.01 0.00 0.00 39.48 39.82 3iyl n PHE 615 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 3iyl h SER 616 N 1.54 0.00 -3.79 4.37 0.02 -1.87 -3.45 113.55 110.36 3iyl h SER 616 Ca 0.32 0.00 -0.48 0.00 -0.84 0.00 0.00 61.79 60.78 3iyl h SER 616 Cb 1.46 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.98 3iyl h SER 616 CO 0.67 0.18 0.30 -2.28 -1.14 0.00 0.00 176.83 174.56 3iyl s HIS 617 N -4.11 3.75 0.19 3.45 5.65 -1.26 -4.96 115.29 118.01 3iyl s HIS 617 Ca -0.02 1.73 -0.12 0.00 0.25 0.00 0.00 55.06 56.90 3iyl s HIS 617 Cb 0.13 -2.87 0.11 0.00 -1.18 0.00 0.00 32.58 28.77 3iyl s HIS 617 CO 0.62 0.29 1.86 -1.35 -0.65 0.00 0.00 174.74 175.51 3iyl h PRO 618 N 3.45 0.84 -0.00 2.88 0.11 -1.96 -2.93 132.00 134.38 3iyl h PRO 618 Ca -0.47 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3iyl h PRO 618 Cb 1.19 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 3iyl h PRO 618 CO 0.66 0.55 0.01 0.78 -0.21 0.00 0.00 178.00 179.79 3iyl h GLY 619 N 0.86 0.00 -5.93 -0.55 0.00 -1.94 -3.27 103.07 92.24 3iyl h GLY 619 Ca 0.24 0.00 -0.80 0.00 0.00 0.00 0.00 47.33 46.77 3iyl h GLY 619 CO -0.06 0.00 1.00 3.33 0.00 0.00 0.00 176.54 180.82 3iyl n VAL 620 N -3.33 5.46 -4.02 4.60 0.24 -1.11 -4.78 118.33 115.40 3iyl n VAL 620 Ca -0.03 -5.59 -0.35 0.00 -2.04 0.00 0.00 64.34 56.34 3iyl n VAL 620 Cb 0.09 -1.47 -0.09 0.00 -1.47 0.00 0.00 33.84 30.89 3iyl n VAL 620 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 3iyl s TRP 621 N -4.26 3.27 -0.17 6.34 0.52 -1.24 -4.92 118.94 118.49 3iyl s TRP 621 Ca 0.42 0.12 -0.41 0.00 0.02 0.00 0.00 56.10 56.25 3iyl s TRP 621 Cb 0.25 -2.05 -0.18 0.00 -1.15 0.00 0.00 33.47 30.34 3iyl s TRP 621 CO -0.20 0.22 1.44 -2.30 0.02 0.00 0.00 176.95 176.13 3iyl n PRO 622 N 3.33 0.59 -0.29 4.98 -0.02 -1.26 -4.55 135.00 137.79 3iyl n PRO 622 Ca -0.17 0.22 0.21 0.00 -2.02 0.00 0.00 63.50 61.74 3iyl n PRO 622 Cb 0.52 -1.80 0.51 0.00 -0.02 0.00 0.00 33.50 32.71 3iyl n PRO 622 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3iyl h PRO 623 N 4.98 0.40 -0.24 0.52 0.11 -1.91 0.34 132.00 136.20 3iyl h PRO 623 Ca -0.47 -0.02 -0.17 0.00 0.11 0.00 0.00 66.00 65.44 3iyl h PRO 623 Cb 1.36 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 3iyl h PRO 623 CO 0.84 0.26 -0.53 0.78 -0.21 0.00 0.00 178.00 179.15 3iyl h GLY 624 N 0.41 0.76 0.85 -0.55 0.00 -1.77 -3.10 103.07 99.67 3iyl h GLY 624 Ca 0.53 -0.87 0.03 0.00 0.00 0.00 0.00 47.33 47.02 3iyl h GLY 624 CO -0.23 0.78 0.28 -2.75 0.00 0.00 0.00 176.54 174.62 3iyl h PHE 625 N 0.54 0.53 0.33 5.60 3.57 -0.65 -1.47 116.94 125.38 3iyl h PHE 625 Ca 0.02 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 3iyl h PHE 625 Cb 1.10 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.67 3iyl h PHE 625 CO 0.06 0.29 -0.17 -0.07 -2.23 0.00 0.00 178.31 176.19 3iyl h LEU 626 N 0.56 -0.40 -7.93 0.59 -0.00 -1.51 -3.38 115.31 103.24 3iyl h LEU 626 Ca 0.20 0.02 -0.74 0.00 -0.00 0.00 0.00 57.88 57.36 3iyl h LEU 626 Cb 0.04 0.11 -0.29 0.00 -0.00 0.00 0.00 40.66 40.52 3iyl h LEU 626 CO -0.10 -0.28 -0.30 0.21 -0.00 0.00 0.00 178.44 177.97 3iyl s ASN 627 N -2.70 5.88 0.26 -0.43 2.47 -1.17 -4.93 114.94 114.32 3iyl s ASN 627 Ca -0.07 -2.08 0.20 0.00 0.42 0.00 0.00 52.86 51.34 3iyl s ASN 627 Cb 0.01 -2.06 0.98 0.00 -1.45 0.00 0.00 41.25 38.73 3iyl s ASN 627 CO 0.21 -0.68 1.61 -2.65 -3.72 0.00 0.00 177.10 171.87 3iyl n PRO 628 N 4.72 0.14 -0.27 0.43 -0.02 -0.56 -1.80 135.00 137.64 3iyl n PRO 628 Ca -0.05 0.53 0.06 0.00 -2.02 0.00 0.00 63.50 62.02 3iyl n PRO 628 Cb 0.41 -1.87 0.20 0.00 -0.02 0.00 0.00 33.50 32.22 3iyl n PRO 628 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 3iyl h GLN 629 N 0.00 0.47 -0.42 -0.52 5.75 -1.92 -2.52 115.11 115.95 3iyl h GLN 629 Ca 0.00 -0.03 0.03 0.00 -0.15 0.00 0.00 58.65 58.50 3iyl h GLN 629 Cb 0.14 -0.11 -0.04 0.00 1.07 0.00 0.00 27.48 28.55 3iyl h GLN 629 CO 0.00 0.31 0.21 -0.07 -2.65 0.00 0.00 178.83 176.64 3iyl h LEU 630 N 0.49 0.31 -9.39 -2.39 3.38 -1.64 -3.42 115.31 102.64 3iyl h LEU 630 Ca 0.43 0.02 -0.54 0.00 0.09 0.00 0.00 57.88 57.89 3iyl h LEU 630 Cb 0.65 -0.04 0.02 0.00 0.09 0.00 0.00 40.66 41.38 3iyl h LEU 630 CO -0.40 0.22 1.08 -0.63 0.09 0.00 0.00 178.44 178.80 3iyl s ILE 631 N -6.15 3.10 0.06 1.22 1.01 -0.95 -4.98 121.20 114.52 3iyl s ILE 631 Ca -0.13 0.40 -0.20 0.00 0.00 0.00 0.00 60.65 60.71 3iyl s ILE 631 Cb 0.12 -3.25 -0.06 0.00 0.01 0.00 0.00 42.46 39.27 3iyl s ILE 631 CO 0.72 -0.02 0.60 0.21 0.00 0.00 0.00 174.94 176.46 3iyl s ASN 632 N 3.06 7.08 0.07 3.58 3.84 -1.26 -4.95 114.94 126.37 3iyl s ASN 632 Ca 0.77 1.28 -0.33 0.00 0.21 0.00 0.00 52.86 54.80 3iyl s ASN 632 Cb -0.40 -2.38 -0.18 0.00 -0.55 0.00 0.00 41.25 37.74 3iyl s ASN 632 CO 0.34 0.21 1.63 -0.65 -2.79 0.00 0.00 177.10 175.84 3iyl h PRO 633 N 4.84 -0.84 0.00 0.43 0.11 -1.93 0.12 132.00 134.74 3iyl h PRO 633 Ca -0.48 0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3iyl h PRO 633 Cb 1.21 0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.51 3iyl h PRO 633 CO 0.66 -0.56 0.00 1.04 -0.21 0.00 0.00 178.00 178.93 3iyl n GLN 634 N -5.47 0.00 0.00 1.05 6.02 -1.26 -1.22 117.38 116.49 3iyl n GLN 634 Ca -0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.86 3iyl n GLN 634 Cb 0.36 -1.08 0.00 0.00 1.02 0.00 0.00 30.24 30.54 3iyl n GLN 634 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3iyl n GLN 635 N -0.46 0.00 -2.62 -1.09 6.02 -1.04 -4.96 117.38 113.22 3iyl n GLN 635 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.87 3iyl n GLN 635 Cb 0.00 -0.45 0.02 0.00 1.02 0.00 0.00 30.24 30.83 3iyl n GLN 635 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3iyl n ALA 636 N -1.78 3.73 -0.03 -1.58 0.00 0.40 -4.39 120.51 116.86 3iyl n ALA 636 Ca 0.00 -3.36 0.00 0.00 0.00 0.00 0.00 53.44 50.08 3iyl n ALA 636 Cb 0.05 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 18.65 3iyl n ALA 636 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3iyl n PRO 637 N -0.17 0.00 -0.38 0.00 -0.04 -0.36 -0.06 135.00 133.99 3iyl n PRO 637 Ca 0.15 0.87 0.00 0.00 -0.04 0.00 0.00 63.50 64.48 3iyl n PRO 637 Cb 0.79 -1.48 0.06 0.00 -0.04 0.00 0.00 33.50 32.82 3iyl n PRO 637 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 3iyl n LEU 638 N -2.71 -0.60 0.01 1.53 7.94 -1.26 -0.44 117.00 121.46 3iyl n LEU 638 Ca 0.00 1.74 -0.03 0.00 -1.11 0.00 0.00 56.01 56.61 3iyl n LEU 638 Cb 0.00 -0.42 0.22 0.00 0.53 0.00 0.00 43.42 43.76 3iyl n LEU 638 CO 0.00 -1.58 0.78 0.25 -1.11 0.00 0.00 177.39 175.73 3iyl h LEU 639 N 0.00 0.48 -0.78 -1.96 5.85 -1.84 -2.22 115.31 114.83 3iyl h LEU 639 Ca 0.37 -0.14 -0.12 0.00 0.84 0.00 0.00 57.88 58.82 3iyl h LEU 639 Cb 0.62 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 3iyl h LEU 639 CO -1.00 0.69 -0.44 -0.09 -0.34 0.00 0.00 178.44 177.26 3iyl h ARG 640 N 0.44 0.37 0.00 1.25 2.43 0.23 -1.33 114.38 117.77 3iyl h ARG 640 Ca 0.07 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 3iyl h ARG 640 Cb 0.59 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 3iyl h ARG 640 CO 0.04 0.74 0.00 0.00 -1.51 0.00 0.00 179.97 179.25 3iyl h ALA 641 N 1.23 1.00 0.02 2.80 0.00 -0.73 0.13 119.26 123.70 3iyl h ALA 641 Ca 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3iyl h ALA 641 Cb 0.90 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3iyl h ALA 641 CO 0.08 0.00 -0.01 0.35 0.00 0.00 0.00 179.25 179.67 3iyl h PHE 642 N 0.00 -0.02 -0.39 0.00 3.57 -0.80 -1.32 116.94 117.98 3iyl h PHE 642 Ca 0.00 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.55 3iyl h PHE 642 Cb 0.69 0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.40 3iyl h PHE 642 CO 0.00 0.70 0.12 0.00 -2.23 0.00 0.00 178.31 176.90 3iyl h ALA 643 N -0.15 0.44 -0.93 2.41 0.00 -1.19 0.52 119.26 120.36 3iyl h ALA 643 Ca -0.00 0.06 0.15 0.00 0.00 0.00 0.00 54.91 55.11 3iyl h ALA 643 Cb 0.73 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.49 3iyl h ALA 643 CO 0.00 -0.28 0.59 1.49 0.00 0.00 0.00 179.25 181.06 3iyl h GLU 644 N 0.27 0.74 0.16 0.00 4.57 -0.82 -2.68 114.58 116.82 3iyl h GLU 644 Ca 0.18 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.31 3iyl h GLU 644 Cb 0.18 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 28.60 3iyl h GLU 644 CO -0.20 0.49 -0.08 1.25 -1.18 0.00 0.00 179.01 179.29 3iyl h HIS 645 N 0.76 -0.20 -0.89 0.92 2.76 0.24 -2.93 115.15 115.81 3iyl h HIS 645 Ca 0.47 -0.00 0.17 0.00 -2.20 0.00 0.00 60.37 58.81 3iyl h HIS 645 Cb 0.70 0.07 -0.10 0.00 1.55 0.00 0.00 27.41 29.63 3iyl h HIS 645 CO -0.00 0.23 0.46 0.82 -1.30 0.00 0.00 177.93 178.14 3iyl h ILE 646 N -0.87 0.67 -0.16 6.26 2.04 -0.88 -0.34 117.51 124.24 3iyl h ILE 646 Ca -0.02 -0.21 -0.03 0.00 1.00 0.00 0.00 64.86 65.60 3iyl h ILE 646 Cb 0.52 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 3iyl h ILE 646 CO 0.04 0.11 -0.02 0.03 0.00 0.00 0.00 178.15 178.31 3iyl h ARG 647 N 0.61 0.30 0.00 2.37 3.08 -1.58 -1.79 114.38 117.37 3iyl h ARG 647 Ca 0.51 -0.11 -0.05 0.00 0.07 0.00 0.00 59.98 60.40 3iyl h ARG 647 Cb 0.79 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.81 3iyl h ARG 647 CO -0.40 0.56 -0.22 0.00 -1.07 0.00 0.00 179.97 178.84 3iyl h ALA 648 N 0.74 1.18 0.00 0.04 0.00 -1.15 -3.35 119.26 116.71 3iyl h ALA 648 Ca 0.04 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3iyl h ALA 648 Cb 0.43 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3iyl h ALA 648 CO 0.01 0.27 -0.03 0.09 0.00 0.00 0.00 179.25 179.59 3iyl n ASN 649 N -3.60 1.93 -4.71 0.00 3.02 -0.21 -5.00 115.26 106.68 3iyl n ASN 649 Ca -0.01 -2.47 -0.42 0.00 -0.03 0.00 0.00 54.58 51.65 3iyl n ASN 649 Cb 0.35 -0.22 -0.03 0.00 -0.61 0.00 0.00 39.78 39.27 3iyl n ASN 649 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 3iyl s TRP 650 N -1.79 3.59 0.01 3.10 -0.11 -0.68 -4.78 118.94 118.28 3iyl s TRP 650 Ca 0.15 1.60 -0.39 0.00 1.22 0.00 0.00 56.10 58.68 3iyl s TRP 650 Cb 0.14 -3.20 -0.19 0.00 -1.50 0.00 0.00 33.47 28.72 3iyl s TRP 650 CO 0.01 -0.32 1.13 -2.30 -4.62 0.00 0.00 176.95 170.85 3iyl n PRO 651 N 4.00 0.21 -2.61 5.86 -0.02 -1.26 -4.93 135.00 136.25 3iyl n PRO 651 Ca 0.07 0.08 -0.43 0.00 -2.02 0.00 0.00 63.50 61.20 3iyl n PRO 651 Cb 0.50 -1.60 -0.02 0.00 -0.02 0.00 0.00 33.50 32.35 3iyl n PRO 651 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3iyl s GLN 652 N 0.12 4.36 0.78 -0.52 2.00 -1.26 -4.83 119.66 120.31 3iyl s GLN 652 Ca 0.90 1.47 -0.13 0.00 -2.00 0.00 0.00 55.36 55.60 3iyl s GLN 652 Cb -1.21 -3.59 0.07 0.00 0.80 0.00 0.00 33.01 29.08 3iyl s GLN 652 CO 0.55 -0.45 1.15 -2.14 -0.50 0.00 0.00 175.29 173.91 3iyl s PRO 653 N 2.44 1.95 0.17 1.67 0.02 -1.12 -2.87 135.00 137.25 3iyl s PRO 653 Ca 0.49 1.52 -0.21 0.00 0.02 0.00 0.00 61.00 62.83 3iyl s PRO 653 Cb -0.19 -1.84 0.06 0.00 0.02 0.00 0.00 34.50 32.55 3iyl s PRO 653 CO 0.16 -1.93 0.56 -1.54 -0.33 0.00 0.00 177.00 173.92 3iyl s SER 654 N -2.58 -0.45 0.13 2.53 1.04 0.11 -4.86 113.70 109.62 3iyl s SER 654 Ca 0.68 -0.16 0.09 0.00 0.48 0.00 0.00 55.95 57.05 3iyl s SER 654 Cb -0.23 0.58 -0.04 0.00 0.10 0.00 0.00 66.02 66.43 3iyl s SER 654 CO 0.50 -0.99 -0.21 -1.83 0.98 0.00 0.00 173.24 171.69 3iyl s GLU 655 N -3.79 1.25 0.25 4.02 1.03 -1.26 0.72 118.70 120.93 3iyl s GLU 655 Ca 0.03 -1.30 0.01 0.00 0.03 0.00 0.00 54.97 53.74 3iyl s GLU 655 Cb -0.01 -1.51 -0.05 0.00 -0.80 0.00 0.00 34.13 31.77 3iyl s GLU 655 CO -0.10 0.34 0.09 -0.59 -1.33 0.00 0.00 175.26 173.67 3iyl s PHE 656 N -1.44 1.49 0.73 4.83 -0.00 -1.04 -4.95 117.98 117.59 3iyl s PHE 656 Ca 0.12 -1.19 -0.08 0.00 -0.00 0.00 0.00 56.93 55.78 3iyl s PHE 656 Cb -0.09 -0.86 0.06 0.00 -0.00 0.00 0.00 43.02 42.14 3iyl s PHE 656 CO 0.06 -0.35 1.06 0.20 -0.00 0.00 0.00 175.22 176.19 3iyl s GLY 657 N -3.29 1.66 -0.29 1.99 0.00 -1.26 -1.68 107.32 104.45 3iyl s GLY 657 Ca 0.37 -0.83 -0.22 0.00 0.00 0.00 0.00 44.72 44.05 3iyl s GLY 657 CO 0.13 -0.40 1.08 -2.52 0.00 0.00 0.00 173.10 171.39 3iyl s TYR 658 N -3.34 -0.43 0.04 1.90 -0.85 -0.76 -4.80 117.35 109.12 3iyl s TYR 658 Ca 0.60 0.96 0.00 0.00 -0.52 0.00 0.00 57.07 58.11 3iyl s TYR 658 Cb -0.11 0.36 0.00 0.00 0.38 0.00 0.00 41.96 42.59 3iyl s TYR 658 CO 0.46 -0.21 0.00 0.41 -1.52 0.00 0.00 175.55 174.69 3iyl n GLY 659 N 2.61 -1.56 3.84 5.49 0.00 -1.26 -4.35 105.19 109.96 3iyl n GLY 659 Ca -0.14 -1.48 -0.38 0.00 0.00 0.00 0.00 46.02 44.02 3iyl n GLY 659 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3iyl s SER 660 N -3.44 6.64 0.52 1.61 0.15 -1.26 -4.52 113.70 113.40 3iyl s SER 660 Ca 0.00 0.76 0.31 0.00 0.70 0.00 0.00 55.95 57.72 3iyl s SER 660 Cb 0.00 -2.19 1.13 0.00 -1.71 0.00 0.00 66.02 63.25 3iyl s SER 660 CO 0.00 0.33 1.90 0.74 1.20 0.00 0.00 173.24 177.41 3iyl h THR 661 N 3.89 0.03 0.00 6.45 2.02 -1.91 -2.27 112.91 121.12 3iyl h THR 661 Ca -0.52 -0.65 0.00 0.00 0.77 0.00 0.00 66.41 66.02 3iyl h THR 661 Cb 1.22 1.63 0.00 0.00 -1.74 0.00 0.00 68.15 69.26 3iyl h THR 661 CO 0.62 0.01 0.00 0.18 0.37 0.00 0.00 175.52 176.70 3iyl n LEU 662 N -3.11 0.64 -2.76 2.58 7.99 -1.26 -3.77 117.00 117.31 3iyl n LEU 662 Ca 0.01 0.57 -0.26 0.00 -0.01 0.00 0.00 56.01 56.32 3iyl n LEU 662 Cb 0.36 -0.37 -0.02 0.00 -0.11 0.00 0.00 43.42 43.27 3iyl n LEU 662 CO 0.29 -0.17 0.15 1.67 -1.51 0.00 0.00 177.39 177.81 3iyl n GLN 663 N -2.10 3.20 0.00 3.23 7.27 -0.85 -4.99 117.38 123.13 3iyl n GLN 663 Ca 0.06 -4.64 0.00 0.00 0.07 0.00 0.00 57.00 52.48 3iyl n GLN 663 Cb 0.40 -2.20 0.00 0.00 2.41 0.00 0.00 30.24 30.84 3iyl n GLN 663 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3iyl n GLY 664 N -0.32 0.72 0.00 1.69 0.00 -1.25 -4.75 105.19 101.29 3iyl n GLY 664 Ca 0.33 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.25 3iyl n GLY 664 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3iyl n SER 665 N -0.64 0.00 -2.21 1.61 3.41 -1.26 -4.59 113.62 109.93 3iyl n SER 665 Ca 0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.32 3iyl n SER 665 Cb 0.00 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.04 3iyl n SER 665 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3iyl n ALA 666 N -0.44 5.91 -2.35 7.33 0.00 -1.26 -4.36 120.51 125.33 3iyl n ALA 666 Ca 0.00 -3.00 -0.39 0.00 0.00 0.00 0.00 53.44 50.05 3iyl n ALA 666 Cb 0.00 -1.63 -0.05 0.00 0.00 0.00 0.00 19.45 17.77 3iyl n ALA 666 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3iyl s ASN 667 N -1.35 7.16 -0.01 0.00 0.01 -1.26 -4.87 114.94 114.62 3iyl s ASN 667 Ca 0.57 1.38 0.08 0.00 -0.71 0.00 0.00 52.86 54.17 3iyl s ASN 667 Cb 0.45 -2.43 -0.11 0.00 0.41 0.00 0.00 41.25 39.57 3iyl s ASN 667 CO 0.02 0.09 0.23 0.18 -1.51 0.00 0.00 177.10 176.11 3iyl n LEU 668 N 2.52 0.13 0.00 0.60 4.77 -1.26 -4.76 117.00 118.99 3iyl n LEU 668 Ca -0.05 -0.17 0.00 0.00 -0.03 0.00 0.00 56.01 55.76 3iyl n LEU 668 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 3iyl n LEU 668 CO 0.45 0.03 0.03 0.49 -1.33 0.00 0.00 177.39 177.06 3iyl n PHE 669 N -1.58 0.00 -4.28 -1.77 3.72 -1.26 -4.89 117.46 107.40 3iyl n PHE 669 Ca -0.00 -0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.18 3iyl n PHE 669 Cb 0.18 -0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 38.60 3iyl n PHE 669 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3iyl s ILE 670 N -0.00 1.63 0.94 4.37 -1.09 -1.26 -4.70 121.20 121.09 3iyl s ILE 670 Ca 0.00 -1.66 -0.12 0.00 -2.23 0.00 0.00 60.65 56.64 3iyl s ILE 670 Cb 0.00 -1.59 0.07 0.00 -1.58 0.00 0.00 42.46 39.36 3iyl s ILE 670 CO 0.00 -0.21 0.63 -2.65 -1.23 0.00 0.00 174.94 171.49 3iyl n PRO 671 N 0.78 -0.34 -1.85 2.79 -0.02 -1.26 -4.77 135.00 130.33 3iyl n PRO 671 Ca -0.17 -0.05 -0.41 0.00 -2.02 0.00 0.00 63.50 60.85 3iyl n PRO 671 Cb 0.55 -2.01 -0.01 0.00 -0.02 0.00 0.00 33.50 32.01 3iyl n PRO 671 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3iyl s SER 672 N -2.20 6.44 -1.12 2.55 0.01 -1.26 -2.59 113.70 115.53 3iyl s SER 672 Ca 0.60 2.93 -0.02 0.00 1.31 0.00 0.00 55.95 60.77 3iyl s SER 672 Cb -0.22 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.37 3iyl s SER 672 CO 0.65 -0.83 0.22 0.59 0.41 0.00 0.00 173.24 174.28 3iyl n ASN 673 N 1.34 -4.50 -4.07 2.44 4.13 -1.26 -4.98 115.26 108.36 3iyl n ASN 673 Ca 0.04 -0.11 -0.13 0.00 1.68 0.00 0.00 54.58 56.06 3iyl n ASN 673 Cb 0.39 -3.50 -0.11 0.00 -1.54 0.00 0.00 39.78 35.01 3iyl n ASN 673 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 3iyl s ARG 674 N -5.04 0.56 -0.05 3.52 1.81 -1.07 -1.82 118.95 116.87 3iyl s ARG 674 Ca 0.11 -0.79 -0.02 0.00 -1.72 0.00 0.00 55.73 53.31 3iyl s ARG 674 Cb -0.05 -0.34 0.03 0.00 -0.45 0.00 0.00 34.95 34.14 3iyl s ARG 674 CO 0.14 0.06 0.04 -1.64 -0.68 0.00 0.00 175.30 173.22 3iyl s MET 675 N -1.65 0.11 0.73 3.54 -1.94 -0.68 -4.78 119.30 114.65 3iyl s MET 675 Ca -0.09 0.30 -0.13 0.00 -1.71 0.00 0.00 55.69 54.07 3iyl s MET 675 Cb -0.10 -0.64 0.04 0.00 2.01 0.00 0.00 34.83 36.15 3iyl s MET 675 CO 0.00 -0.32 1.12 0.14 -0.01 0.00 0.00 175.02 175.95 3iyl s VAL 676 N 2.10 3.04 -0.19 -6.03 -7.23 -1.26 -2.50 120.40 108.33 3iyl s VAL 676 Ca 0.05 0.42 -0.11 0.00 -1.81 0.00 0.00 61.98 60.52 3iyl s VAL 676 Cb -0.12 -2.88 0.06 0.00 0.56 0.00 0.00 36.38 34.00 3iyl s VAL 676 CO -0.04 -0.37 0.47 -0.47 -0.31 0.00 0.00 175.10 174.39 3iyl s TYR 677 N -2.53 -0.70 0.17 2.82 5.04 0.22 -4.92 117.35 117.45 3iyl s TYR 677 Ca 0.66 1.47 -0.23 0.00 -2.44 0.00 0.00 57.07 56.53 3iyl s TYR 677 Cb -0.21 0.34 0.07 0.00 0.35 0.00 0.00 41.96 42.52 3iyl s TYR 677 CO 0.49 -0.38 1.59 -1.00 -1.34 0.00 0.00 175.55 174.91 3iyl h PRO 678 N 7.00 -0.23 -6.56 4.97 0.13 -1.90 0.32 132.00 135.74 3iyl h PRO 678 Ca -0.35 0.02 -0.52 0.00 -0.87 0.00 0.00 66.00 64.28 3iyl h PRO 678 Cb 1.19 0.05 -0.03 0.00 0.13 0.00 0.00 31.00 32.35 3iyl h PRO 678 CO 0.26 -0.15 -0.03 -1.58 -0.23 0.00 0.00 178.00 176.27 3iyl s TRP 679 N -5.98 3.40 0.47 1.56 0.52 -1.26 -2.80 118.94 114.86 3iyl s TRP 679 Ca -0.15 1.02 -0.24 0.00 0.02 0.00 0.00 56.10 56.75 3iyl s TRP 679 Cb 0.14 -2.37 -0.08 0.00 -1.15 0.00 0.00 33.47 30.00 3iyl s TRP 679 CO 0.68 0.20 1.29 -0.35 0.02 0.00 0.00 176.95 178.79 3iyl n PRO 680 N -0.22 1.84 -4.77 4.98 -0.04 -1.14 -4.35 135.00 131.31 3iyl n PRO 680 Ca 0.02 0.66 -0.33 0.00 -0.04 0.00 0.00 63.50 63.81 3iyl n PRO 680 Cb 0.53 -2.45 -0.12 0.00 -0.04 0.00 0.00 33.50 31.42 3iyl n PRO 680 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 3iyl s ASN 681 N -0.67 4.32 0.14 3.54 3.84 -1.26 -4.72 114.94 120.13 3iyl s ASN 681 Ca 0.65 -0.11 0.11 0.00 0.21 0.00 0.00 52.86 53.71 3iyl s ASN 681 Cb -0.47 -1.00 -0.04 0.00 -0.55 0.00 0.00 41.25 39.19 3iyl s ASN 681 CO 0.55 0.35 -0.25 -1.58 -2.79 0.00 0.00 177.10 173.39 3iyl s GLN 682 N -0.77 1.38 0.46 0.43 2.00 -0.35 -5.06 119.66 117.75 3iyl s GLN 682 Ca 0.12 -1.36 -0.24 0.00 -2.00 0.00 0.00 55.36 51.88 3iyl s GLN 682 Cb -0.11 -1.77 -0.07 0.00 0.80 0.00 0.00 33.01 31.86 3iyl s GLN 682 CO 0.01 0.41 1.26 -1.25 -0.50 0.00 0.00 175.29 175.22 3iyl s PRO 683 N -2.22 3.68 0.29 1.67 0.04 -1.26 -4.49 135.00 132.71 3iyl s PRO 683 Ca 0.14 2.02 -0.30 0.00 0.04 0.00 0.00 61.00 62.91 3iyl s PRO 683 Cb -0.09 -2.50 -0.12 0.00 0.04 0.00 0.00 34.50 31.83 3iyl s PRO 683 CO 0.07 -0.68 1.54 -0.11 0.04 0.00 0.00 177.00 177.85 3iyl n LEU 684 N -0.39 4.10 -4.76 -3.56 7.94 -1.26 -4.93 117.00 114.14 3iyl n LEU 684 Ca 0.07 1.15 -0.38 0.00 -1.11 0.00 0.00 56.01 55.74 3iyl n LEU 684 Cb 0.46 -1.56 -0.06 0.00 0.53 0.00 0.00 43.42 42.79 3iyl n LEU 684 CO 0.52 -0.00 0.14 -2.16 -1.11 0.00 0.00 177.39 174.77 3iyl s PRO 685 N -0.64 4.21 -0.11 1.96 0.04 -1.26 -4.98 135.00 134.22 3iyl s PRO 685 Ca 0.64 0.41 0.14 0.00 0.04 0.00 0.00 61.00 62.23 3iyl s PRO 685 Cb -0.53 -3.37 0.62 0.00 0.04 0.00 0.00 34.50 31.26 3iyl s PRO 685 CO 0.50 0.34 1.49 0.54 0.04 0.00 0.00 177.00 179.91 3iyl n ARG 686 N 3.06 3.46 0.00 4.56 5.12 -1.26 -3.28 116.66 128.31 3iyl n ARG 686 Ca -0.10 -2.42 0.00 0.00 -1.93 0.00 0.00 57.85 53.41 3iyl n ARG 686 Cb 0.52 -1.86 0.00 0.00 -1.16 0.00 0.00 32.46 29.96 3iyl n ARG 686 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3iyl n LEU 687 N 0.83 0.00 -4.23 0.55 4.77 -1.26 -4.87 117.00 112.79 3iyl n LEU 687 Ca 0.22 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.88 3iyl n LEU 687 Cb 0.81 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.74 3iyl n LEU 687 CO 0.21 0.00 -0.55 -0.89 -1.33 0.00 0.00 177.39 174.83 3iyl s THR 688 N 3.75 2.13 0.09 -5.08 2.01 -1.26 -4.08 115.64 113.19 3iyl s THR 688 Ca 0.00 -1.00 -0.01 0.00 0.31 0.00 0.00 61.69 60.99 3iyl s THR 688 Cb 0.00 -1.81 -0.04 0.00 0.01 0.00 0.00 72.50 70.66 3iyl s THR 688 CO 0.00 0.56 0.27 0.68 -0.69 0.00 0.00 174.62 175.44 3iyl s VAL 689 N 0.30 5.32 -0.11 3.82 -7.23 -1.26 -5.08 120.40 116.16 3iyl s VAL 689 Ca -0.17 -0.28 -0.05 0.00 -1.81 0.00 0.00 61.98 59.67 3iyl s VAL 689 Cb -0.18 -3.64 0.05 0.00 0.56 0.00 0.00 36.38 33.18 3iyl s VAL 689 CO 0.08 0.09 0.24 0.00 -0.31 0.00 0.00 175.10 175.21 3iyl s ALA 690 N -1.57 -0.52 -0.49 1.32 0.00 -1.26 -4.95 121.76 114.28 3iyl s ALA 690 Ca 0.37 0.94 -0.44 0.00 0.00 0.00 0.00 51.96 52.83 3iyl s ALA 690 Cb -0.13 -0.77 -0.19 0.00 0.00 0.00 0.00 23.12 22.03 3iyl s ALA 690 CO 0.27 -0.37 2.09 -0.35 0.00 0.00 0.00 175.76 177.40 3iyl n PRO 691 N 4.69 0.08 -3.85 0.00 -0.04 -1.26 -4.90 135.00 129.71 3iyl n PRO 691 Ca -0.17 0.02 -0.28 0.00 -0.04 0.00 0.00 63.50 63.03 3iyl n PRO 691 Cb 0.52 -1.56 -0.03 0.00 -0.04 0.00 0.00 33.50 32.38 3iyl n PRO 691 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3iyl s THR 692 N 5.78 5.30 -1.17 0.52 -4.23 -1.26 -4.93 115.64 115.65 3iyl s THR 692 Ca 1.18 -0.48 0.17 0.00 -1.18 0.00 0.00 61.69 61.38 3iyl s THR 692 Cb -1.46 -3.71 0.68 0.00 1.34 0.00 0.00 72.50 69.36 3iyl s THR 692 CO 0.66 -0.05 1.57 -1.22 -0.54 0.00 0.00 174.62 175.05 3iyl n TYR 693 N -0.35 1.41 -3.11 3.99 0.53 -1.26 -4.73 117.16 113.65 3iyl n TYR 693 Ca -0.06 -0.56 -0.20 0.00 -1.02 0.00 0.00 57.90 56.06 3iyl n TYR 693 Cb 0.53 -0.24 0.06 0.00 -1.03 0.00 0.00 39.34 38.66 3iyl n TYR 693 CO 0.00 0.00 0.00 0.16 -1.02 0.00 0.00 176.86 176.00 3iyl s ASP 694 N -0.86 5.00 0.00 7.72 -4.77 -1.26 -4.51 116.67 117.99 3iyl s ASP 694 Ca 0.48 -0.93 0.00 0.00 -3.30 0.00 0.00 52.55 48.80 3iyl s ASP 694 Cb 0.31 0.43 0.00 0.00 -1.09 0.00 0.00 42.92 42.57 3iyl s ASP 694 CO 0.23 -1.39 0.00 -1.54 0.70 0.00 0.00 175.17 173.17 3iyl n SER 695 N -2.25 -0.21 -0.30 2.11 3.41 -1.26 -4.37 113.62 110.75 3iyl n SER 695 Ca 0.15 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.65 3iyl n SER 695 Cb 0.62 0.24 -0.09 0.00 -0.26 0.00 0.00 64.21 64.73 3iyl n SER 695 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3iyl h ALA 696 N 0.00 -0.58 -0.55 7.33 0.00 -1.92 0.63 119.26 124.16 3iyl h ALA 696 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3iyl h ALA 696 Cb 0.00 1.24 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3iyl h ALA 696 CO 0.00 -0.97 0.00 -0.12 0.00 0.00 0.00 179.25 178.16 3iyl n MET 697 N -5.32 0.00 -0.27 0.00 0.00 -1.26 0.55 117.12 110.83 3iyl n MET 697 Ca 0.00 0.78 0.04 0.00 -0.00 0.00 0.00 57.70 58.52 3iyl n MET 697 Cb 0.30 -1.41 0.14 0.00 0.00 0.00 0.00 33.22 32.25 3iyl n MET 697 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 3iyl h SER 698 N 0.00 -0.52 -0.62 6.12 0.87 -1.55 0.63 113.55 118.48 3iyl h SER 698 Ca 0.00 0.22 -0.02 0.00 -1.23 0.00 0.00 61.79 60.75 3iyl h SER 698 Cb 0.00 0.41 -0.03 0.00 -0.44 0.00 0.00 62.40 62.34 3iyl h SER 698 CO 0.00 -0.22 0.30 -1.13 -0.53 0.00 0.00 176.83 175.24 3iyl h ASN 699 N 0.05 0.80 -0.60 6.23 -1.24 0.70 -1.36 115.58 120.17 3iyl h ASN 699 Ca 0.40 -0.13 0.08 0.00 0.71 0.00 0.00 56.30 57.36 3iyl h ASN 699 Cb 0.68 -0.21 -0.04 0.00 0.73 0.00 0.00 38.32 39.49 3iyl h ASN 699 CO -0.73 0.71 0.40 -0.25 -1.29 0.00 0.00 177.43 176.26 3iyl h TRP 700 N 0.84 0.53 0.05 0.67 2.91 0.24 0.90 115.95 122.10 3iyl h TRP 700 Ca 0.21 0.01 -0.23 0.00 1.13 0.00 0.00 58.89 60.02 3iyl h TRP 700 Cb 0.12 -0.17 -0.01 0.00 -0.51 0.00 0.00 29.16 28.58 3iyl h TRP 700 CO 0.00 0.27 -1.04 0.82 -1.03 0.00 0.00 178.44 177.46 3iyl h ILE 701 N 0.51 1.55 0.02 2.65 2.04 -0.99 -2.92 117.51 120.37 3iyl h ILE 701 Ca 0.27 -2.98 -0.24 0.00 1.00 0.00 0.00 64.86 62.91 3iyl h ILE 701 Cb 0.38 2.73 0.01 0.00 -0.74 0.00 0.00 36.82 39.20 3iyl h ILE 701 CO -0.08 0.86 -1.00 -1.28 0.00 0.00 0.00 178.15 176.66 3iyl h SER 702 N 0.07 0.56 0.43 1.72 0.87 0.00 -2.15 113.55 115.06 3iyl h SER 702 Ca -0.07 -0.47 -0.31 0.00 -1.23 0.00 0.00 61.79 59.71 3iyl h SER 702 Cb 1.74 -0.17 0.01 0.00 -0.44 0.00 0.00 62.40 63.54 3iyl h SER 702 CO 0.16 1.28 -1.45 0.71 -0.53 0.00 0.00 176.83 177.00 3iyl h THR 703 N 0.22 1.28 -0.27 2.23 1.35 -1.02 -2.87 112.91 113.84 3iyl h THR 703 Ca -0.10 -2.83 -0.16 0.00 -0.55 0.00 0.00 66.41 62.78 3iyl h THR 703 Cb 1.65 2.91 -0.01 0.00 -1.73 0.00 0.00 68.15 70.97 3iyl h THR 703 CO 0.17 0.85 -0.48 0.00 -0.25 0.00 0.00 175.52 175.81 3iyl h THR 704 N 0.10 1.29 0.00 6.82 1.03 -1.62 -0.04 112.91 120.49 3iyl h THR 704 Ca -0.22 -1.68 0.00 0.00 -0.01 0.00 0.00 66.41 64.49 3iyl h THR 704 Cb 2.06 1.60 0.00 0.00 -1.07 0.00 0.00 68.15 70.74 3iyl h THR 704 CO 0.21 0.54 0.00 -0.38 -0.01 0.00 0.00 175.52 175.88 3iyl n ILE 705 N -4.01 0.73 0.08 0.00 2.08 -0.81 -1.38 119.36 116.06 3iyl n ILE 705 Ca -0.03 0.10 0.04 0.00 0.56 0.00 0.00 62.75 63.42 3iyl n ILE 705 Cb 0.58 -0.94 -0.02 0.00 -0.75 0.00 0.00 39.64 38.51 3iyl n ILE 705 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3iyl h ALA 706 N 2.44 0.64 0.01 -1.39 0.00 -1.07 -3.15 119.26 116.73 3iyl h ALA 706 Ca 0.00 -0.49 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 3iyl h ALA 706 Cb 0.44 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3iyl h ALA 706 CO 0.00 0.56 -0.00 0.35 0.00 0.00 0.00 179.25 180.15 3iyl h PHE 707 N 0.00 -0.01 0.00 0.00 3.57 0.21 -3.04 116.94 117.68 3iyl h PHE 707 Ca -0.08 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.42 3iyl h PHE 707 Cb 1.35 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.10 3iyl h PHE 707 CO 0.00 0.81 0.00 1.19 -2.23 0.00 0.00 178.31 178.08 3iyl n PHE 708 N -4.69 0.00 0.13 0.41 3.01 -0.87 0.43 117.46 115.88 3iyl n PHE 708 Ca -0.09 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.44 3iyl n PHE 708 Cb 0.40 -0.49 0.04 0.00 -0.01 0.00 0.00 39.48 39.42 3iyl n PHE 708 CO 0.00 0.00 0.00 0.97 1.01 0.00 0.00 176.76 178.74 3iyl h ILE 709 N 0.00 0.27 0.09 4.37 2.10 -1.55 -2.80 117.51 119.99 3iyl h ILE 709 Ca 0.00 -1.44 -0.29 0.00 1.08 0.00 0.00 64.86 64.21 3iyl h ILE 709 Cb 0.18 1.94 -0.01 0.00 -1.09 0.00 0.00 36.82 37.83 3iyl h ILE 709 CO 0.00 0.16 -1.45 -0.09 -1.08 0.00 0.00 178.15 175.69 3iyl h ARG 710 N 0.00 0.19 -0.52 2.19 2.43 0.10 -2.79 114.38 115.98 3iyl h ARG 710 Ca -0.03 -0.32 -0.05 0.00 -0.81 0.00 0.00 59.98 58.77 3iyl h ARG 710 Cb 1.19 0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.84 3iyl h ARG 710 CO 0.02 1.04 0.12 0.28 -1.51 0.00 0.00 179.97 179.93 3iyl h VAL 711 N 0.05 1.22 -0.01 0.20 2.07 -0.94 -2.17 116.25 116.67 3iyl h VAL 711 Ca -0.20 -0.79 -0.20 0.00 0.82 0.00 0.00 66.70 66.33 3iyl h VAL 711 Cb 1.98 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 32.43 3iyl h VAL 711 CO 0.15 0.29 -0.85 0.58 0.02 0.00 0.00 177.57 177.77 3iyl h VAL 712 N 0.76 1.45 -0.62 2.57 2.07 -1.55 -3.18 116.25 117.75 3iyl h VAL 712 Ca 0.17 -2.47 -0.15 0.00 0.82 0.00 0.00 66.70 65.06 3iyl h VAL 712 Cb 0.29 2.37 -0.09 0.00 -1.52 0.00 0.00 31.29 32.34 3iyl h VAL 712 CO -0.00 0.73 0.19 0.59 0.02 0.00 0.00 177.57 179.10 3iyl n ASN 713 N -3.71 4.62 -4.96 0.57 3.02 -1.05 -4.23 115.26 109.51 3iyl n ASN 713 Ca -0.04 -3.00 -0.22 0.00 -0.03 0.00 0.00 54.58 51.28 3iyl n ASN 713 Cb 0.78 -0.71 0.03 0.00 -0.61 0.00 0.00 39.78 39.28 3iyl n ASN 713 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3iyl s SER 714 N -0.78 5.35 0.05 6.41 1.04 -0.84 -4.83 113.70 120.12 3iyl s SER 714 Ca 0.48 0.15 -0.13 0.00 0.48 0.00 0.00 55.95 56.92 3iyl s SER 714 Cb 0.38 -1.08 -0.04 0.00 0.10 0.00 0.00 66.02 65.37 3iyl s SER 714 CO 0.12 -1.10 1.22 0.58 0.98 0.00 0.00 173.24 175.04 3iyl h VAL 715 N 0.04 0.00 0.00 5.02 2.07 -1.90 0.45 116.25 121.94 3iyl h VAL 715 Ca -0.43 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.09 3iyl h VAL 715 Cb 1.29 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 3iyl h VAL 715 CO 0.55 0.00 0.00 0.59 0.02 0.00 0.00 177.57 178.73 3iyl n ASN 716 N -3.80 0.00 -0.23 0.57 3.02 -1.26 -1.10 115.26 112.47 3iyl n ASN 716 Ca -0.01 0.93 -0.11 0.00 -0.03 0.00 0.00 54.58 55.36 3iyl n ASN 716 Cb 0.13 -0.43 -0.07 0.00 -0.61 0.00 0.00 39.78 38.80 3iyl n ASN 716 CO 0.00 0.00 0.00 -0.03 -2.62 0.00 0.00 177.26 174.61 3iyl h MET 717 N 0.00 -0.23 -0.99 3.52 4.05 -1.75 -1.68 114.93 117.85 3iyl h MET 717 Ca 0.00 0.02 0.24 0.00 -0.28 0.00 0.00 59.70 59.67 3iyl h MET 717 Cb 0.00 0.05 -0.08 0.00 -0.80 0.00 0.00 31.60 30.77 3iyl h MET 717 CO 0.00 -0.16 0.64 1.15 0.23 0.00 0.00 176.91 178.78 3iyl h THR 718 N -0.24 0.60 0.01 -0.77 2.02 0.61 -2.34 112.91 112.79 3iyl h THR 718 Ca 0.14 -0.15 -0.02 0.00 0.77 0.00 0.00 66.41 67.15 3iyl h THR 718 Cb 0.55 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.09 3iyl h THR 718 CO -0.72 0.08 -0.09 0.00 0.37 0.00 0.00 175.52 175.17 3iyl h ALA 719 N 1.61 -0.00 -3.00 6.16 0.00 -0.21 -3.44 119.26 120.38 3iyl h ALA 719 Ca 0.55 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3iyl h ALA 719 Cb 1.34 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.14 3iyl h ALA 719 CO -0.25 -0.01 0.00 0.25 0.00 0.00 0.00 179.25 179.24 3iyl n THR 720 N -4.60 0.00 -0.52 0.00 -2.24 -0.86 -4.88 114.28 101.18 3iyl n THR 720 Ca -0.10 0.03 -0.18 0.00 -2.27 0.00 0.00 64.05 61.54 3iyl n THR 720 Cb 0.47 -0.24 -0.01 0.00 -2.10 0.00 0.00 70.33 68.45 3iyl n THR 720 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3iyl n VAL 721 N 0.00 0.68 -0.43 2.28 0.31 -0.96 -4.86 118.33 115.35 3iyl n VAL 721 Ca 0.00 -0.17 -0.25 0.00 -0.01 0.00 0.00 64.34 63.91 3iyl n VAL 721 Cb 0.00 0.00 0.21 0.00 -0.91 0.00 0.00 33.84 33.14 3iyl n VAL 721 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 3iyl n ASN 722 N 0.72 -3.25 -0.02 4.52 2.85 -1.26 -4.71 115.26 114.11 3iyl n ASN 722 Ca 0.07 -0.51 -0.01 0.00 -0.11 0.00 0.00 54.58 54.01 3iyl n ASN 722 Cb 0.09 -0.92 -0.00 0.00 1.24 0.00 0.00 39.78 40.19 3iyl n ASN 722 CO 0.00 0.00 0.00 -0.78 -2.11 0.00 0.00 177.26 174.37 3iyl h ASP 723 N -2.97 0.00 -0.79 1.20 -0.00 -1.91 -3.29 116.42 108.65 3iyl h ASP 723 Ca -0.37 0.00 0.18 0.00 -0.00 0.00 0.00 57.03 56.85 3iyl h ASP 723 Cb 1.08 0.00 -0.05 0.00 -0.00 0.00 0.00 39.33 40.37 3iyl h ASP 723 CO 0.24 0.17 0.54 0.17 -0.00 0.00 0.00 179.24 180.36 3iyl h LEU 724 N -0.24 0.28 -0.25 2.28 8.10 -2.00 0.49 115.31 123.97 3iyl h LEU 724 Ca 0.00 0.02 -0.06 0.00 0.11 0.00 0.00 57.88 57.95 3iyl h LEU 724 Cb 0.09 -0.03 -0.01 0.00 -0.44 0.00 0.00 40.66 40.27 3iyl h LEU 724 CO 0.00 0.13 -0.09 0.00 -4.11 0.00 0.00 178.44 174.37 3iyl h THR 725 N 0.29 1.29 -0.03 0.15 1.03 -1.97 -2.69 112.91 110.98 3iyl h THR 725 Ca 0.39 -1.13 0.01 0.00 -0.01 0.00 0.00 66.41 65.68 3iyl h THR 725 Cb 1.11 1.51 -0.00 0.00 -1.07 0.00 0.00 68.15 69.70 3iyl h THR 725 CO -0.10 0.35 0.06 -0.09 -0.01 0.00 0.00 175.52 175.72 3iyl h ARG 726 N 0.23 0.00 -0.02 0.00 2.43 -0.99 -0.38 114.38 115.65 3iyl h ARG 726 Ca 0.06 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.17 3iyl h ARG 726 Cb 0.57 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 3iyl h ARG 726 CO 0.03 0.00 -0.23 -0.09 -1.51 0.00 0.00 179.97 178.17 3iyl h ARG 727 N 0.00 0.20 -1.01 0.20 2.43 -1.08 -3.03 114.38 112.09 3iyl h ARG 727 Ca 0.01 -0.18 0.24 0.00 -0.81 0.00 0.00 59.98 59.24 3iyl h ARG 727 Cb 0.12 0.04 -0.11 0.00 -0.42 0.00 0.00 29.97 29.61 3iyl h ARG 727 CO -0.00 0.87 0.62 1.15 -1.51 0.00 0.00 179.97 181.10 3iyl h THR 728 N -0.41 0.58 -0.28 0.20 2.02 -0.87 0.17 112.91 114.30 3iyl h THR 728 Ca -0.02 -0.20 -0.11 0.00 0.77 0.00 0.00 66.41 66.85 3iyl h THR 728 Cb 0.94 -0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 3iyl h THR 728 CO 0.05 0.11 -0.27 0.24 0.37 0.00 0.00 175.52 176.01 3iyl h MET 729 N 0.58 0.57 -0.43 6.66 2.86 -1.41 0.50 114.93 124.25 3iyl h MET 729 Ca 0.62 -0.23 -0.09 0.00 -2.06 0.00 0.00 59.70 57.94 3iyl h MET 729 Cb 1.21 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.83 3iyl h MET 729 CO -0.41 0.79 -0.07 1.15 1.06 0.00 0.00 176.91 179.43 3iyl h THR 730 N 0.49 1.27 -0.18 2.22 2.02 -0.62 -2.05 112.91 116.07 3iyl h THR 730 Ca 0.07 -1.15 -0.03 0.00 0.77 0.00 0.00 66.41 66.07 3iyl h THR 730 Cb 0.73 1.14 -0.01 0.00 -1.74 0.00 0.00 68.15 68.27 3iyl h THR 730 CO 0.06 0.39 0.01 1.23 0.37 0.00 0.00 175.52 177.58 3iyl h GLY 731 N 0.63 0.33 2.00 2.16 0.00 -0.83 0.10 103.07 107.47 3iyl h GLY 731 Ca 0.11 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.21 3iyl h GLY 731 CO 0.03 0.22 0.00 -2.08 0.00 0.00 0.00 176.54 174.71 3iyl h VAL 732 N 0.08 0.00 0.01 4.60 2.07 0.09 -0.74 116.25 122.36 3iyl h VAL 732 Ca 0.05 -0.02 -0.38 0.00 0.82 0.00 0.00 66.70 67.17 3iyl h VAL 732 Cb 0.35 0.94 -0.05 0.00 -1.52 0.00 0.00 31.29 31.01 3iyl h VAL 732 CO 0.01 0.00 -2.10 0.23 0.02 0.00 0.00 177.57 175.73 3iyl n MET 733 N -2.94 0.60 -0.32 1.57 2.81 -0.78 -3.93 117.12 114.14 3iyl n MET 733 Ca -0.03 0.35 0.08 0.00 -1.81 0.00 0.00 57.70 56.29 3iyl n MET 733 Cb 0.08 -1.59 0.24 0.00 -0.71 0.00 0.00 33.22 31.24 3iyl n MET 733 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 3iyl h THR 734 N -0.78 0.76 -0.14 2.03 2.02 -0.50 0.12 112.91 116.42 3iyl h THR 734 Ca -0.56 -0.25 0.05 0.00 0.77 0.00 0.00 66.41 66.42 3iyl h THR 734 Cb 1.59 -0.02 -0.07 0.00 -1.74 0.00 0.00 68.15 67.92 3iyl h THR 734 CO -0.28 0.13 -0.36 0.00 0.37 0.00 0.00 175.52 175.39 3iyl h ALA 735 N 1.57 -0.45 0.16 6.16 0.00 -1.33 -1.11 119.26 124.26 3iyl h ALA 735 Ca 0.49 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.43 3iyl h ALA 735 Cb 0.67 0.68 -0.04 0.00 0.00 0.00 0.00 17.79 19.09 3iyl h ALA 735 CO -0.35 -0.84 -0.38 0.52 0.00 0.00 0.00 179.25 178.21 3iyl h MET 736 N -0.43 -0.61 0.00 0.00 2.86 -1.01 -0.50 114.93 115.23 3iyl h MET 736 Ca 0.09 0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 3iyl h MET 736 Cb 0.58 0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.38 3iyl h MET 736 CO -0.37 -0.41 0.00 2.89 1.06 0.00 0.00 176.91 180.08 3iyl n ARG 737 N -5.45 0.22 -0.05 1.72 -4.01 0.18 -1.62 116.66 107.66 3iyl n ARG 737 Ca -0.07 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.74 3iyl n ARG 737 Cb 0.36 -1.15 0.00 0.00 -3.04 0.00 0.00 32.46 28.63 3iyl n ARG 737 CO 0.00 0.00 0.00 1.04 -3.04 0.00 0.00 177.63 175.63 3iyl n GLN 738 N -0.65 0.66 -2.60 2.89 6.02 -0.31 -4.88 117.38 118.51 3iyl n GLN 738 Ca 0.02 -0.81 -0.39 0.00 -0.01 0.00 0.00 57.00 55.80 3iyl n GLN 738 Cb 0.01 -0.63 -0.05 0.00 1.02 0.00 0.00 30.24 30.59 3iyl n GLN 738 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3iyl s VAL 739 N -0.29 3.76 -1.36 5.09 1.01 -0.51 -4.92 120.40 123.19 3iyl s VAL 739 Ca 0.01 1.70 -0.16 0.00 0.00 0.00 0.00 61.98 63.53 3iyl s VAL 739 Cb 0.01 -4.05 0.04 0.00 0.00 0.00 0.00 36.38 32.38 3iyl s VAL 739 CO 0.00 0.35 2.01 0.29 0.00 0.00 0.00 175.10 177.75 3iyl n LYS 740 N 1.10 2.91 -2.70 2.72 5.02 -1.26 -4.92 118.16 121.03 3iyl n LYS 740 Ca -0.00 -2.85 -0.42 0.00 -2.02 0.00 0.00 58.31 53.02 3iyl n LYS 740 Cb 0.46 -3.37 -0.03 0.00 -0.02 0.00 0.00 35.03 32.07 3iyl n LYS 740 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 3iyl s THR 741 N 3.87 4.83 -0.96 -0.18 -1.32 -1.26 -4.86 115.64 115.76 3iyl s THR 741 Ca 0.51 2.03 0.26 0.00 -1.21 0.00 0.00 61.69 63.28 3iyl s THR 741 Cb 0.10 -4.30 0.10 0.00 -1.51 0.00 0.00 72.50 66.89 3iyl s THR 741 CO -0.01 0.16 1.61 0.80 -2.21 0.00 0.00 174.62 174.97 3iyl n MET 742 N 3.90 0.03 -0.09 7.08 1.56 0.41 -4.24 117.12 125.77 3iyl n MET 742 Ca 0.06 0.01 -0.10 0.00 -0.27 0.00 0.00 57.70 57.40 3iyl n MET 742 Cb 0.51 -1.52 -0.03 0.00 2.15 0.00 0.00 33.22 34.32 3iyl n MET 742 CO 0.00 0.00 0.00 1.15 -0.73 0.00 0.00 175.97 176.39 3iyl h THR 743 N 0.00 1.20 -1.00 1.12 2.02 -1.77 -2.60 112.91 111.89 3iyl h THR 743 Ca 0.00 -0.65 0.27 0.00 0.77 0.00 0.00 66.41 66.80 3iyl h THR 743 Cb 0.53 1.10 -0.13 0.00 -1.74 0.00 0.00 68.15 67.90 3iyl h THR 743 CO 0.00 0.22 0.57 -0.65 0.37 0.00 0.00 175.52 176.03 3iyl h PRO 744 N 0.30 0.46 0.58 6.66 0.11 -1.76 0.15 132.00 138.50 3iyl h PRO 744 Ca 0.09 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.15 3iyl h PRO 744 Cb 0.25 -0.10 0.01 0.00 0.11 0.00 0.00 31.00 31.26 3iyl h PRO 744 CO -0.00 0.30 -0.28 0.35 -0.21 0.00 0.00 178.00 178.16 3iyl h PHE 745 N 0.47 -0.72 -0.77 0.65 3.57 -1.80 -3.26 116.94 115.09 3iyl h PHE 745 Ca 0.67 -0.02 0.12 0.00 3.53 0.00 0.00 57.97 62.27 3iyl h PHE 745 Cb 1.38 0.24 -0.13 0.00 2.79 0.00 0.00 35.95 40.23 3iyl h PHE 745 CO -0.02 -0.45 -0.40 -0.92 -2.23 0.00 0.00 178.31 174.29 3iyl h TYR 746 N -0.91 -1.16 0.00 0.41 3.20 -0.46 0.55 116.97 118.60 3iyl h TYR 746 Ca -0.08 0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.88 3iyl h TYR 746 Cb 0.60 0.62 0.00 0.00 1.54 0.00 0.00 36.73 39.49 3iyl h TYR 746 CO 0.06 -0.40 0.08 -0.89 -1.64 0.00 0.00 178.16 175.37 3iyl n ILE 747 N -5.43 1.60 -0.00 1.81 -0.00 0.27 -1.14 119.36 116.47 3iyl n ILE 747 Ca 0.05 0.53 0.02 0.00 -0.00 0.00 0.00 62.75 63.35 3iyl n ILE 747 Cb 0.36 -1.53 -0.03 0.00 -0.00 0.00 0.00 39.64 38.45 3iyl n ILE 747 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3iyl n GLN 748 N -1.50 0.24 -0.00 0.38 10.64 0.18 -4.73 117.38 122.60 3iyl n GLN 748 Ca -0.00 -0.03 -0.00 0.00 -1.83 0.00 0.00 57.00 55.14 3iyl n GLN 748 Cb 0.09 -1.08 -0.00 0.00 -0.86 0.00 0.00 30.24 28.38 3iyl n GLN 748 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 3iyl n HIS 749 N -1.64 0.00 0.14 2.61 8.25 -0.25 -1.21 115.22 123.12 3iyl n HIS 749 Ca -0.01 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.44 3iyl n HIS 749 Cb 0.11 -0.01 0.19 0.00 1.12 0.00 0.00 29.99 31.40 3iyl n HIS 749 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 3iyl h MET 750 N -0.01 0.02 -0.50 -0.41 2.86 -1.75 -3.30 114.93 111.83 3iyl h MET 750 Ca 0.00 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 3iyl h MET 750 Cb 0.01 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 3iyl h MET 750 CO 0.00 0.60 0.25 0.00 1.06 0.00 0.00 176.91 178.82 3iyl h PRO 752 N 0.67 0.72 0.12 0.00 0.11 -1.80 -0.08 132.00 131.75 3iyl h PRO 752 Ca 0.17 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.23 3iyl h PRO 752 Cb 0.11 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.05 3iyl h PRO 752 CO -0.02 0.48 -0.06 1.15 -0.21 0.00 0.00 178.00 179.34 3iyl h THR 753 N 0.75 1.01 -0.75 -1.15 2.02 -1.60 -1.86 112.91 111.33 3iyl h THR 753 Ca 0.24 -0.55 0.05 0.00 0.77 0.00 0.00 66.41 66.92 3iyl h THR 753 Cb 0.05 1.36 -0.05 0.00 -1.74 0.00 0.00 68.15 67.77 3iyl h THR 753 CO -0.06 0.13 0.46 -0.33 0.37 0.00 0.00 175.52 176.09 3iyl h GLU 754 N -0.42 0.84 -0.51 6.66 5.08 -0.87 0.18 114.58 125.54 3iyl h GLU 754 Ca -0.02 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.22 3iyl h GLU 754 Cb 0.34 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 3iyl h GLU 754 CO 0.03 0.56 0.02 -0.07 -1.00 0.00 0.00 179.01 178.55 3iyl h LEU 755 N 0.87 0.87 0.41 1.33 -0.00 -1.02 0.36 115.31 118.12 3iyl h LEU 755 Ca 0.32 -0.30 -0.02 0.00 -0.00 0.00 0.00 57.88 57.88 3iyl h LEU 755 Cb 0.10 -0.23 0.00 0.00 -0.00 0.00 0.00 40.66 40.53 3iyl h LEU 755 CO -0.15 0.95 -0.20 -1.28 -0.00 0.00 0.00 178.44 177.77 3iyl h SER 756 N 0.76 -0.46 -0.36 -0.43 0.87 -0.67 0.13 113.55 113.38 3iyl h SER 756 Ca 0.15 -0.04 -0.11 0.00 -1.23 0.00 0.00 61.79 60.55 3iyl h SER 756 Cb 0.49 0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.55 3iyl h SER 756 CO 0.02 -0.25 -0.17 0.58 -0.53 0.00 0.00 176.83 176.49 3iyl h VAL 757 N -0.66 1.27 0.00 2.23 2.07 -0.68 -2.56 116.25 117.91 3iyl h VAL 757 Ca -0.06 -1.28 0.00 0.00 0.82 0.00 0.00 66.70 66.19 3iyl h VAL 757 Cb 0.48 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 3iyl h VAL 757 CO 0.09 0.43 0.00 0.18 0.02 0.00 0.00 177.57 178.30 3iyl n LEU 758 N -4.13 0.00 -1.08 2.57 4.77 0.13 -3.06 117.00 116.19 3iyl n LEU 758 Ca 0.01 0.37 0.01 0.00 -0.03 0.00 0.00 56.01 56.37 3iyl n LEU 758 Cb 0.41 -0.37 0.15 0.00 -2.33 0.00 0.00 43.42 41.28 3iyl n LEU 758 CO 0.44 -0.08 0.52 0.00 -1.33 0.00 0.00 177.39 176.94 3iyl n ALA 759 N -1.37 3.10 0.00 -1.18 0.00 0.44 -2.99 120.51 118.52 3iyl n ALA 759 Ca 0.09 -0.77 0.00 0.00 0.00 0.00 0.00 53.44 52.76 3iyl n ALA 759 Cb 0.21 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.60 3iyl n ALA 759 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3iyl n SER 760 N 0.20 1.15 -0.06 0.00 7.64 -1.17 -4.60 113.62 116.78 3iyl n SER 760 Ca 0.12 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.99 3iyl n SER 760 Cb 0.65 0.00 0.27 0.00 -1.01 0.00 0.00 64.21 64.12 3iyl n SER 760 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 3iyl h VAL 761 N 0.00 1.20 -2.04 0.44 -1.51 -1.65 -3.44 116.25 109.25 3iyl h VAL 761 Ca 0.00 -0.72 -0.64 0.00 -1.23 0.00 0.00 66.70 64.12 3iyl h VAL 761 Cb 0.45 0.76 0.10 0.00 -2.13 0.00 0.00 31.29 30.47 3iyl h VAL 761 CO 0.00 0.26 0.11 0.35 -1.23 0.00 0.00 177.57 177.06 3iyl n THR 762 N -4.30 1.48 1.37 7.19 -2.24 -1.16 -4.86 114.28 111.76 3iyl n THR 762 Ca 0.03 -0.37 0.03 0.00 -2.27 0.00 0.00 64.05 61.47 3iyl n THR 762 Cb 0.21 -0.79 0.17 0.00 -2.10 0.00 0.00 70.33 67.81 3iyl n THR 762 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 3iyl n VAL 763 N 0.77 0.00 -3.66 2.28 3.14 -1.26 -4.46 118.33 115.15 3iyl n VAL 763 Ca 0.13 0.00 -0.05 0.00 -2.96 0.00 0.00 64.34 61.46 3iyl n VAL 763 Cb 0.27 -0.29 -0.07 0.00 -1.06 0.00 0.00 33.84 32.70 3iyl n VAL 763 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 3iyl s THR 764 N -2.00 -0.74 0.65 1.55 2.01 -1.26 -5.13 115.64 110.71 3iyl s THR 764 Ca 0.08 0.09 -0.17 0.00 0.31 0.00 0.00 61.69 62.00 3iyl s THR 764 Cb 0.04 -0.81 -0.02 0.00 0.01 0.00 0.00 72.50 71.72 3iyl s THR 764 CO 0.06 0.04 1.11 -2.65 -0.69 0.00 0.00 174.62 172.49 3iyl n PRO 765 N 5.33 0.88 -1.93 4.92 -0.02 -1.26 -4.93 135.00 138.00 3iyl n PRO 765 Ca -0.11 0.35 -0.41 0.00 -2.02 0.00 0.00 63.50 61.32 3iyl n PRO 765 Cb 0.50 -2.34 -0.01 0.00 -0.02 0.00 0.00 33.50 31.63 3iyl n PRO 765 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3iyl s PRO 766 N -3.18 4.12 -0.56 0.52 0.04 -1.26 -4.99 135.00 129.69 3iyl s PRO 766 Ca 0.79 2.40 0.04 0.00 0.04 0.00 0.00 61.00 64.26 3iyl s PRO 766 Cb -0.38 -2.94 0.15 0.00 0.04 0.00 0.00 34.50 31.36 3iyl s PRO 766 CO 0.45 -0.45 0.34 0.12 0.04 0.00 0.00 177.00 177.49 3iyl s PHE 767 N -1.15 2.96 0.19 0.56 5.36 -1.03 -4.74 117.98 120.13 3iyl s PHE 767 Ca 0.53 -3.04 0.07 0.00 -0.96 0.00 0.00 56.93 53.53 3iyl s PHE 767 Cb -0.43 -2.49 -0.04 0.00 -0.34 0.00 0.00 43.02 39.72 3iyl s PHE 767 CO 0.58 -0.69 0.08 -0.65 -1.46 0.00 0.00 175.22 173.08 3iyl s GLN 768 N -0.53 2.65 -0.05 10.12 -0.21 -1.26 -2.03 119.66 128.35 3iyl s GLN 768 Ca 0.21 -1.05 0.03 0.00 0.02 0.00 0.00 55.36 54.56 3iyl s GLN 768 Cb -0.17 -2.47 0.01 0.00 1.00 0.00 0.00 33.01 31.38 3iyl s GLN 768 CO -0.07 0.45 -0.13 0.08 -2.12 0.00 0.00 175.29 173.50 3iyl s VAL 769 N -1.87 1.17 -0.16 1.09 1.01 -1.26 -4.20 120.40 116.18 3iyl s VAL 769 Ca 0.30 -0.53 -0.25 0.00 0.00 0.00 0.00 61.98 61.50 3iyl s VAL 769 Cb -0.09 -1.05 -0.11 0.00 0.00 0.00 0.00 36.38 35.13 3iyl s VAL 769 CO 0.21 0.36 0.78 -2.65 0.00 0.00 0.00 175.10 173.80 3iyl n PRO 770 N 3.55 0.00 -2.59 2.72 -0.02 -1.26 -4.87 135.00 132.53 3iyl n PRO 770 Ca -0.21 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 60.84 3iyl n PRO 770 Cb 0.52 -0.86 -0.02 0.00 -0.02 0.00 0.00 33.50 33.13 3iyl n PRO 770 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3iyl s PHE 771 N 0.94 3.23 -0.73 6.00 2.99 -1.26 -4.96 117.98 124.19 3iyl s PHE 771 Ca 0.56 1.36 -0.12 0.00 0.00 0.00 0.00 56.93 58.73 3iyl s PHE 771 Cb -0.80 -3.33 0.19 0.00 0.00 0.00 0.00 43.02 39.09 3iyl s PHE 771 CO 0.40 -0.80 0.65 0.99 -0.00 0.00 0.00 175.22 176.47 3iyl s THR 772 N 3.06 5.18 0.00 0.64 2.01 -1.26 -4.80 115.64 120.47 3iyl s THR 772 Ca 0.48 -2.36 -0.11 0.00 0.31 0.00 0.00 61.69 60.01 3iyl s THR 772 Cb -0.18 -4.25 -0.13 0.00 0.01 0.00 0.00 72.50 67.95 3iyl s THR 772 CO 0.11 -0.97 1.03 -1.14 -0.69 0.00 0.00 174.62 172.96 3iyl n ARG 773 N 4.14 0.00 -2.08 4.92 0.00 -1.26 -3.55 116.66 118.83 3iyl n ARG 773 Ca 0.07 -0.56 0.00 0.00 -0.00 0.00 0.00 57.85 57.36 3iyl n ARG 773 Cb 0.44 -1.95 0.00 0.00 0.00 0.00 0.00 32.46 30.95 3iyl n ARG 773 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 3iyl n LEU 774 N 5.95 -1.19 -4.24 6.15 7.99 -1.26 -5.02 117.00 125.38 3iyl n LEU 774 Ca 0.17 0.00 -0.42 0.00 -0.01 0.00 0.00 56.01 55.74 3iyl n LEU 774 Cb 0.17 -0.49 -0.04 0.00 -0.11 0.00 0.00 43.42 42.95 3iyl n LEU 774 CO 0.66 0.00 0.40 -0.69 -1.51 0.00 0.00 177.39 176.25 3iyl s VAL 775 N -2.20 5.03 0.00 4.08 1.01 -1.23 -4.98 120.40 122.12 3iyl s VAL 775 Ca 0.00 -3.06 0.00 0.00 0.00 0.00 0.00 61.98 58.92 3iyl s VAL 775 Cb 0.00 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 32.26 3iyl s VAL 775 CO 0.00 -1.04 0.00 1.67 0.00 0.00 0.00 175.10 175.73 3iyl n GLN 776 N 3.27 0.00 0.16 2.72 0.00 -1.26 0.41 117.38 122.68 3iyl n GLN 776 Ca 0.16 0.00 0.02 0.00 -0.00 0.00 0.00 57.00 57.18 3iyl n GLN 776 Cb 0.41 0.00 0.27 0.00 0.00 0.00 0.00 30.24 30.92 3iyl n GLN 776 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.06 176.15 3iyl h ASN 777 N 0.00 0.00 -0.59 1.69 -0.26 -1.97 -3.29 115.58 111.16 3iyl h ASN 777 Ca 0.00 0.00 -0.25 0.00 -0.56 0.00 0.00 56.30 55.49 3iyl h ASN 777 Cb 0.00 0.00 -0.15 0.00 -1.06 0.00 0.00 38.32 37.11 3iyl h ASN 777 CO 0.00 0.49 0.32 0.47 -1.06 0.00 0.00 177.43 177.65 3iyl n ASP 778 N -3.82 3.68 -4.69 5.81 8.00 0.17 -0.32 116.55 125.37 3iyl n ASP 778 Ca -0.01 -2.95 -0.42 0.00 0.71 0.00 0.00 54.79 52.12 3iyl n ASP 778 Cb 0.53 -0.70 -0.03 0.00 -0.02 0.00 0.00 41.12 40.90 3iyl n ASP 778 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3iyl s VAL 779 N -2.18 4.76 -0.77 2.53 1.01 -1.24 -4.71 120.40 119.80 3iyl s VAL 779 Ca 0.37 2.01 -0.25 0.00 0.00 0.00 0.00 61.98 64.11 3iyl s VAL 779 Cb 0.31 -4.29 0.04 0.00 0.00 0.00 0.00 36.38 32.44 3iyl s VAL 779 CO 0.08 0.05 1.25 -0.63 0.00 0.00 0.00 175.10 175.84 3iyl s ILE 780 N 1.74 3.88 0.22 2.22 -1.09 -1.26 0.33 121.20 127.24 3iyl s ILE 780 Ca 0.50 0.06 -0.02 0.00 -2.23 0.00 0.00 60.65 58.96 3iyl s ILE 780 Cb -0.20 -4.90 -0.02 0.00 -1.58 0.00 0.00 42.46 35.77 3iyl s ILE 780 CO 0.21 -1.79 1.57 0.71 -1.23 0.00 0.00 174.94 174.40 3iyl h THR 781 N 6.12 1.31 -3.25 2.92 1.35 -1.67 -3.45 112.91 116.24 3iyl h THR 781 Ca -0.20 -1.65 -0.22 0.00 -0.55 0.00 0.00 66.41 63.79 3iyl h THR 781 Cb 1.05 1.64 -0.30 0.00 -1.73 0.00 0.00 68.15 68.80 3iyl h THR 781 CO 1.28 0.52 -0.57 0.20 -0.25 0.00 0.00 175.52 176.70 3iyl s ASN 782 N -6.87 -0.15 -0.49 5.36 0.01 -1.21 -5.01 114.94 106.57 3iyl s ASN 782 Ca -0.07 0.34 -0.08 0.00 -0.71 0.00 0.00 52.86 52.33 3iyl s ASN 782 Cb 0.12 0.25 0.13 0.00 0.41 0.00 0.00 41.25 42.16 3iyl s ASN 782 CO 0.83 -0.13 0.36 -0.69 -1.51 0.00 0.00 177.10 175.96 3iyl s VAL 783 N 0.90 4.10 0.24 1.60 1.01 -1.26 -0.11 120.40 126.89 3iyl s VAL 783 Ca -0.07 -1.97 0.06 0.00 0.00 0.00 0.00 61.98 60.01 3iyl s VAL 783 Cb -0.09 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.56 3iyl s VAL 783 CO -0.05 -0.79 0.27 -0.76 0.00 0.00 0.00 175.10 173.77 3iyl s LEU 784 N 1.14 4.04 0.27 3.92 1.02 -0.68 -3.06 118.68 125.33 3iyl s LEU 784 Ca 0.08 -0.10 0.04 0.00 0.02 0.00 0.00 54.13 54.17 3iyl s LEU 784 Cb -0.24 -2.58 -0.06 0.00 0.02 0.00 0.00 46.19 43.33 3iyl s LEU 784 CO -0.02 -0.05 -0.00 -0.69 0.02 0.00 0.00 176.35 175.61 3iyl s VAL 785 N -2.05 1.25 -0.03 -1.59 1.01 -0.73 0.79 120.40 119.04 3iyl s VAL 785 Ca 0.33 -2.05 -0.00 0.00 0.00 0.00 0.00 61.98 60.26 3iyl s VAL 785 Cb -0.08 -2.50 0.03 0.00 0.00 0.00 0.00 36.38 33.83 3iyl s VAL 785 CO 0.27 -0.23 0.02 0.00 0.00 0.00 0.00 175.10 175.15 3iyl s ALA 786 N -3.27 0.27 -0.13 5.51 0.00 0.25 -0.76 121.76 123.63 3iyl s ALA 786 Ca 0.31 0.19 -0.22 0.00 0.00 0.00 0.00 51.96 52.24 3iyl s ALA 786 Cb 0.06 -0.37 -0.25 0.00 0.00 0.00 0.00 23.12 22.56 3iyl s ALA 786 CO 0.11 -0.16 0.57 0.00 0.00 0.00 0.00 175.76 176.28 3iyl h ARG 787 N 7.49 0.12 -6.41 0.00 3.08 -1.88 -3.19 114.38 113.59 3iyl h ARG 787 Ca -0.38 -0.20 -0.44 0.00 0.07 0.00 0.00 59.98 59.03 3iyl h ARG 787 Cb 1.13 0.07 0.01 0.00 0.08 0.00 0.00 29.97 31.26 3iyl h ARG 787 CO 0.42 1.10 -0.28 0.54 -1.07 0.00 0.00 179.97 180.67 3iyl s VAL 788 N -2.37 3.89 -0.12 2.04 0.11 -1.24 -0.76 120.40 121.96 3iyl s VAL 788 Ca -0.21 -0.91 -0.09 0.00 -2.93 0.00 0.00 61.98 57.84 3iyl s VAL 788 Cb 0.02 -3.36 -0.04 0.00 -1.53 0.00 0.00 36.38 31.47 3iyl s VAL 788 CO 0.71 -0.16 0.18 1.51 -3.33 0.00 0.00 175.10 174.01 3iyl s ASP 789 N -4.21 6.43 0.00 3.54 1.47 -1.24 -4.68 116.67 117.98 3iyl s ASP 789 Ca 0.47 0.51 0.00 0.00 1.18 0.00 0.00 52.55 54.71 3iyl s ASP 789 Cb -0.10 -2.10 0.00 0.00 -0.34 0.00 0.00 42.92 40.38 3iyl s ASP 789 CO 0.33 0.35 0.48 -2.65 0.68 0.00 0.00 175.17 174.36 3iyl n PRO 790 N 2.24 0.76 -0.08 2.11 -0.02 -1.26 -3.40 135.00 135.35 3iyl n PRO 790 Ca -0.18 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.20 3iyl n PRO 790 Cb 0.54 -1.28 -0.05 0.00 -0.02 0.00 0.00 33.50 32.69 3iyl n PRO 790 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3iyl h ALA 791 N 1.95 0.09 0.22 3.55 0.00 -1.92 -2.19 119.26 120.95 3iyl h ALA 791 Ca 0.00 -0.68 -0.00 0.00 0.00 0.00 0.00 54.91 54.23 3iyl h ALA 791 Cb 0.28 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3iyl h ALA 791 CO 0.00 0.49 -0.17 1.96 0.00 0.00 0.00 179.25 181.53 3iyl h GLN 792 N -1.00 -0.39 -6.69 0.00 1.08 -1.97 -3.37 115.11 102.77 3iyl h GLN 792 Ca -0.11 0.03 -0.50 0.00 -1.45 0.00 0.00 58.65 56.61 3iyl h GLN 792 Cb 0.74 0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 28.24 3iyl h GLN 792 CO -0.07 -0.26 0.36 -0.98 -0.95 0.00 0.00 178.83 176.93 3iyl s ARG 793 N -6.12 4.80 -0.99 1.46 1.70 -1.26 -4.88 118.95 113.67 3iyl s ARG 793 Ca -0.15 1.49 -0.25 0.00 -0.47 0.00 0.00 55.73 56.34 3iyl s ARG 793 Cb 0.06 -3.31 -0.15 0.00 -0.57 0.00 0.00 34.95 30.98 3iyl s ARG 793 CO 0.65 0.41 2.15 0.20 -1.08 0.00 0.00 175.30 177.62 3iyl s GLY 794 N -0.78 -0.62 -0.03 3.88 0.00 -1.26 -4.46 107.32 104.05 3iyl s GLY 794 Ca 0.43 -1.39 0.05 0.00 0.00 0.00 0.00 44.72 43.81 3iyl s GLY 794 CO 0.32 4.03 0.95 1.22 0.00 0.00 0.00 173.10 179.62 3iyl n ASP 795 N 17.63 0.78 -0.34 1.64 9.92 -0.88 -4.85 116.55 140.45 3iyl n ASP 795 Ca 0.43 -2.11 0.07 0.00 -0.53 0.00 0.00 54.79 52.65 3iyl n ASP 795 Cb 0.46 -0.21 0.23 0.00 -0.64 0.00 0.00 41.12 40.96 3iyl n ASP 795 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3iyl h ALA 796 N 0.00 1.44 0.04 2.24 0.00 -1.64 -3.23 119.26 118.11 3iyl h ALA 796 Ca 0.00 0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.74 3iyl h ALA 796 Cb 1.15 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 3iyl h ALA 796 CO 0.00 0.13 -1.13 0.00 0.00 0.00 0.00 179.25 178.26 3iyl h ALA 797 N 1.54 0.21 -0.86 0.00 0.00 -1.89 -3.48 119.26 114.78 3iyl h ALA 797 Ca 0.48 -1.07 -0.58 0.00 0.00 0.00 0.00 54.91 53.74 3iyl h ALA 797 Cb 0.53 0.55 0.09 0.00 0.00 0.00 0.00 17.79 18.96 3iyl h ALA 797 CO -0.29 0.65 -0.44 1.33 0.00 0.00 0.00 179.25 180.51 3iyl n VAL 798 N -4.28 1.66 -1.64 0.00 0.24 -1.22 -4.84 118.33 108.25 3iyl n VAL 798 Ca -0.27 -0.42 -0.38 0.00 -2.04 0.00 0.00 64.34 61.24 3iyl n VAL 798 Cb 0.72 0.00 0.06 0.00 -1.47 0.00 0.00 33.84 33.15 3iyl n VAL 798 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 3iyl n ASP 799 N 1.70 1.09 -0.24 -1.34 5.75 -1.26 -4.87 116.55 117.38 3iyl n ASP 799 Ca 0.15 0.82 -0.04 0.00 -0.01 0.00 0.00 54.79 55.71 3iyl n ASP 799 Cb 0.21 -1.43 0.07 0.00 -1.03 0.00 0.00 41.12 38.94 3iyl n ASP 799 CO 0.00 0.00 0.00 0.40 -0.11 0.00 0.00 177.20 177.49 3iyl h ILE 800 N 0.53 1.10 0.00 2.12 1.08 -1.97 -2.28 117.51 118.10 3iyl h ILE 800 Ca -0.49 -0.29 0.00 0.00 -0.39 0.00 0.00 64.86 63.69 3iyl h ILE 800 Cb 1.36 0.18 0.00 0.00 -3.07 0.00 0.00 36.82 35.29 3iyl h ILE 800 CO 0.51 0.15 0.13 -0.09 -0.69 0.00 0.00 178.15 178.16 3iyl h ARG 801 N 0.84 0.00 -0.00 2.37 2.43 -1.92 -2.07 114.38 116.03 3iyl h ARG 801 Ca 0.27 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.44 3iyl h ARG 801 Cb 0.01 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 3iyl h ARG 801 CO -0.10 0.00 -0.60 0.00 -1.51 0.00 0.00 179.97 177.76 3iyl n ALA 802 N -1.95 3.73 0.15 2.80 0.00 -0.87 -4.54 120.51 119.83 3iyl n ALA 802 Ca -0.02 -0.46 0.08 0.00 0.00 0.00 0.00 53.44 53.04 3iyl n ALA 802 Cb 0.18 -0.55 -0.11 0.00 0.00 0.00 0.00 19.45 18.97 3iyl n ALA 802 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3iyl n THR 803 N -1.00 0.00 -4.44 0.00 -2.24 -0.81 -5.00 114.28 100.80 3iyl n THR 803 Ca 0.04 -0.31 -0.24 0.00 -2.27 0.00 0.00 64.05 61.27 3iyl n THR 803 Cb 0.26 0.32 -0.09 0.00 -2.10 0.00 0.00 70.33 68.72 3iyl n THR 803 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3iyl s HIS 804 N -2.96 2.39 0.33 4.78 3.76 -1.05 -4.87 115.29 117.67 3iyl s HIS 804 Ca -0.03 -0.33 -0.17 0.00 -0.15 0.00 0.00 55.06 54.37 3iyl s HIS 804 Cb 0.10 -1.09 -0.09 0.00 1.11 0.00 0.00 32.58 32.61 3iyl s HIS 804 CO 0.65 0.68 0.78 0.00 -0.85 0.00 0.00 174.74 176.00 3iyl s ALA 805 N -2.48 3.28 -0.28 -1.40 0.00 0.06 -4.84 121.76 116.10 3iyl s ALA 805 Ca 0.31 0.15 -0.01 0.00 0.00 0.00 0.00 51.96 52.41 3iyl s ALA 805 Cb -0.04 -2.87 0.05 0.00 0.00 0.00 0.00 23.12 20.25 3iyl s ALA 805 CO 0.16 0.29 -0.03 0.99 0.00 0.00 0.00 175.76 177.17 3iyl s THR 806 N -1.93 2.86 -0.03 0.00 2.01 -1.26 -1.77 115.64 115.53 3iyl s THR 806 Ca 0.54 -1.33 -0.36 0.00 0.31 0.00 0.00 61.69 60.84 3iyl s THR 806 Cb -0.11 -2.60 -0.15 0.00 0.01 0.00 0.00 72.50 69.64 3iyl s THR 806 CO 0.17 -0.02 1.61 0.49 -0.69 0.00 0.00 174.62 176.18 3iyl n PHE 807 N 4.61 1.99 -3.77 4.92 3.01 -1.17 -4.91 117.46 122.13 3iyl n PHE 807 Ca -0.14 0.40 -0.28 0.00 1.01 0.00 0.00 57.45 58.44 3iyl n PHE 807 Cb 0.44 -2.48 -0.12 0.00 -0.01 0.00 0.00 39.48 37.31 3iyl n PHE 807 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3iyl s ALA 808 N 2.11 3.05 -0.17 4.37 0.00 -0.83 -4.77 121.76 125.52 3iyl s ALA 808 Ca 0.89 -3.34 -0.03 0.00 0.00 0.00 0.00 51.96 49.48 3iyl s ALA 808 Cb -0.87 -2.01 0.05 0.00 0.00 0.00 0.00 23.12 20.29 3iyl s ALA 808 CO 0.51 -2.06 0.04 0.00 0.00 0.00 0.00 175.76 174.25 3iyl s ALA 809 N -0.80 0.87 -0.03 0.00 0.00 -1.25 -3.06 121.76 117.49 3iyl s ALA 809 Ca 0.25 -0.55 0.05 0.00 0.00 0.00 0.00 51.96 51.71 3iyl s ALA 809 Cb -0.07 -1.09 -0.01 0.00 0.00 0.00 0.00 23.12 21.95 3iyl s ALA 809 CO -0.14 -1.06 -0.18 0.00 0.00 0.00 0.00 175.76 174.38 3iyl s ALA 810 N 1.92 1.56 -0.15 0.00 0.00 -1.26 -2.99 121.76 120.84 3iyl s ALA 810 Ca 0.00 -0.77 -0.08 0.00 0.00 0.00 0.00 51.96 51.11 3iyl s ALA 810 Cb -0.16 -0.45 -0.04 0.00 0.00 0.00 0.00 23.12 22.47 3iyl s ALA 810 CO -0.08 0.34 0.13 -0.51 0.00 0.00 0.00 175.76 175.65 3iyl s LEU 811 N -0.25 4.31 -1.11 0.00 1.43 -1.23 -4.99 118.68 116.84 3iyl s LEU 811 Ca 0.03 0.37 -0.15 0.00 -1.03 0.00 0.00 54.13 53.35 3iyl s LEU 811 Cb -0.09 -2.07 0.17 0.00 0.03 0.00 0.00 46.19 44.22 3iyl s LEU 811 CO 0.01 0.32 1.31 -2.16 0.23 0.00 0.00 176.35 176.06 3iyl s PRO 812 N -0.48 3.94 0.53 1.29 0.04 -1.26 -0.38 135.00 138.68 3iyl s PRO 812 Ca 0.12 -2.37 -0.19 0.00 0.04 0.00 0.00 61.00 58.60 3iyl s PRO 812 Cb -0.12 -4.98 -0.06 0.00 0.04 0.00 0.00 34.50 29.38 3iyl s PRO 812 CO 0.02 -1.73 1.08 0.08 0.04 0.00 0.00 177.00 176.49 3iyl s VAL 813 N 1.72 3.48 -0.21 -0.36 1.01 0.16 -4.62 120.40 121.59 3iyl s VAL 813 Ca 0.39 0.89 -0.06 0.00 0.00 0.00 0.00 61.98 63.20 3iyl s VAL 813 Cb -0.04 -3.35 -0.03 0.00 0.00 0.00 0.00 36.38 32.96 3iyl s VAL 813 CO -0.03 -0.23 0.01 -0.62 0.00 0.00 0.00 175.10 174.23 3iyl s ASP 814 N -1.99 4.92 0.35 3.32 2.15 -1.26 0.25 116.67 124.41 3iyl s ASP 814 Ca 0.69 -0.19 0.10 0.00 0.43 0.00 0.00 52.55 53.59 3iyl s ASP 814 Cb -0.20 -1.85 0.87 0.00 -0.30 0.00 0.00 42.92 41.44 3iyl s ASP 814 CO 0.26 0.06 1.80 -0.65 -0.17 0.00 0.00 175.17 176.47 3iyl h PRO 815 N 7.56 0.62 0.02 4.34 0.11 -1.90 -2.63 132.00 140.12 3iyl h PRO 815 Ca -0.36 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3iyl h PRO 815 Cb 1.18 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 3iyl h PRO 815 CO 0.61 0.41 -0.07 0.00 -0.21 0.00 0.00 178.00 178.74 3iyl h ALA 816 N 1.63 -0.64 -0.45 -0.75 0.00 -1.91 -2.24 119.26 114.90 3iyl h ALA 816 Ca 0.54 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.49 3iyl h ALA 816 Cb 1.01 0.48 -0.08 0.00 0.00 0.00 0.00 17.79 19.20 3iyl h ALA 816 CO -0.30 -0.65 -0.53 0.00 0.00 0.00 0.00 179.25 177.76 3iyl h ALA 817 N -1.46 -0.73 -1.40 0.00 0.00 -1.72 -1.46 119.26 112.49 3iyl h ALA 817 Ca -0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3iyl h ALA 817 Cb 0.10 1.13 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3iyl h ALA 817 CO -0.03 -1.00 0.00 -0.89 0.00 0.00 0.00 179.25 177.33 3iyl n ILE 818 N -5.19 0.00 -0.26 0.00 2.08 -1.02 -1.12 119.36 113.86 3iyl n ILE 818 Ca -0.03 0.93 -0.12 0.00 0.56 0.00 0.00 62.75 64.10 3iyl n ILE 818 Cb 0.31 -1.32 -0.10 0.00 -0.75 0.00 0.00 39.64 37.78 3iyl n ILE 818 CO 0.00 0.00 0.00 0.58 0.56 0.00 0.00 176.55 177.69 3iyl h VAL 819 N 0.00 0.00 -1.05 1.39 2.07 -1.11 0.32 116.25 117.87 3iyl h VAL 819 Ca 0.00 0.00 0.35 0.00 0.82 0.00 0.00 66.70 67.87 3iyl h VAL 819 Cb 0.00 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 29.62 3iyl h VAL 819 CO 0.00 0.00 0.61 0.58 0.02 0.00 0.00 177.57 178.78 3iyl h VAL 820 N -0.20 0.25 0.00 2.57 2.07 -0.64 0.19 116.25 120.49 3iyl h VAL 820 Ca 0.11 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.54 3iyl h VAL 820 Cb 0.48 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 3iyl h VAL 820 CO -0.72 0.05 0.00 0.00 0.02 0.00 0.00 177.57 176.91 3iyl n ALA 821 N -2.33 -0.01 -0.09 1.67 0.00 0.56 -3.35 120.51 116.96 3iyl n ALA 821 Ca 0.33 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.74 3iyl n ALA 821 Cb 1.08 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.50 3iyl n ALA 821 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 3iyl n MET 822 N -0.84 -0.10 -0.29 0.00 0.00 0.83 0.24 117.12 116.96 3iyl n MET 822 Ca 0.00 0.34 -0.05 0.00 0.00 0.00 0.00 57.70 57.99 3iyl n MET 822 Cb 0.00 -0.50 0.05 0.00 0.00 0.00 0.00 33.22 32.76 3iyl n MET 822 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 175.97 175.86 3iyl n LEU 823 N -4.27 3.80 -2.68 -0.89 7.94 0.65 -4.34 117.00 117.20 3iyl n LEU 823 Ca 0.00 -1.95 -0.05 0.00 -1.11 0.00 0.00 56.01 52.90 3iyl n LEU 823 Cb 0.06 -0.58 0.05 0.00 0.53 0.00 0.00 43.42 43.48 3iyl n LEU 823 CO -0.04 0.62 0.57 0.00 -1.11 0.00 0.00 177.39 177.43 3iyl s GLY 825 N -0.64 1.77 0.09 0.00 0.00 -1.22 -2.21 107.32 105.11 3iyl s GLY 825 Ca 0.13 -0.81 0.06 0.00 0.00 0.00 0.00 44.72 44.10 3iyl s GLY 825 CO -0.06 -0.21 -0.17 -0.86 0.00 0.00 0.00 173.10 171.81 3iyl s GLN 826 N 0.00 0.95 0.00 2.90 -2.07 0.21 0.16 119.66 121.81 3iyl s GLN 826 Ca 0.02 -1.06 0.00 0.00 -1.82 0.00 0.00 55.36 52.50 3iyl s GLN 826 Cb -0.13 -1.03 0.00 0.00 -1.09 0.00 0.00 33.01 30.76 3iyl s GLN 826 CO 0.02 0.23 0.00 2.41 -1.32 0.00 0.00 175.29 176.63 3iyl n THR 827 N 1.14 0.00 -3.05 3.63 -1.04 -1.26 -1.41 114.28 112.29 3iyl n THR 827 Ca -0.20 0.00 -0.44 0.00 -2.04 0.00 0.00 64.05 61.37 3iyl n THR 827 Cb 0.54 -0.16 -0.05 0.00 -1.82 0.00 0.00 70.33 68.84 3iyl n THR 827 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 3iyl s GLU 828 N -0.55 3.08 0.09 -2.82 2.56 -1.26 -4.94 118.70 114.85 3iyl s GLU 828 Ca 0.00 -1.12 0.02 0.00 0.00 0.00 0.00 54.97 53.87 3iyl s GLU 828 Cb 0.00 -4.23 0.24 0.00 2.00 0.00 0.00 34.13 32.14 3iyl s GLU 828 CO 0.00 -1.57 0.42 2.41 -0.56 0.00 0.00 175.26 175.96 3iyl n THR 829 N 5.67 -0.11 -3.47 -1.70 -1.04 -1.26 -1.46 114.28 110.91 3iyl n THR 829 Ca -0.07 0.57 -0.43 0.00 -2.04 0.00 0.00 64.05 62.08 3iyl n THR 829 Cb 0.44 -0.86 -0.04 0.00 -1.82 0.00 0.00 70.33 68.04 3iyl n THR 829 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3iyl s ASN 830 N -4.97 6.34 -0.02 8.00 4.22 -1.26 -4.87 114.94 122.38 3iyl s ASN 830 Ca -0.03 -2.97 -0.01 0.00 -2.14 0.00 0.00 52.86 47.71 3iyl s ASN 830 Cb 0.08 -2.08 0.02 0.00 1.28 0.00 0.00 41.25 40.55 3iyl s ASN 830 CO 0.21 -0.44 0.05 -0.22 -2.04 0.00 0.00 177.10 174.66 3iyl s LEU 831 N -0.26 1.36 -0.43 3.54 2.96 -0.53 -5.10 118.68 120.22 3iyl s LEU 831 Ca 0.20 0.09 -0.11 0.00 -0.22 0.00 0.00 54.13 54.09 3iyl s LEU 831 Cb -0.12 0.08 0.07 0.00 0.50 0.00 0.00 46.19 46.71 3iyl s LEU 831 CO -0.08 -0.08 0.29 -0.63 -1.32 0.00 0.00 176.35 174.54 3iyl s ILE 832 N 0.63 4.58 0.13 6.68 -1.09 -1.26 -4.05 121.20 126.82 3iyl s ILE 832 Ca -0.05 -1.23 -0.26 0.00 -2.23 0.00 0.00 60.65 56.88 3iyl s ILE 832 Cb -0.07 -3.75 -0.07 0.00 -1.58 0.00 0.00 42.46 36.99 3iyl s ILE 832 CO -0.02 -0.49 1.45 -0.65 -1.23 0.00 0.00 174.94 174.00 3iyl h PRO 833 N 8.51 -0.07 -0.24 2.79 0.11 -1.71 0.88 132.00 142.27 3iyl h PRO 833 Ca -0.25 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.93 3iyl h PRO 833 Cb 1.09 0.02 -0.07 0.00 0.11 0.00 0.00 31.00 32.15 3iyl h PRO 833 CO 0.78 -0.05 -0.25 0.66 -0.21 0.00 0.00 178.00 178.94 3iyl h SER 834 N -0.07 -0.80 -0.33 -2.05 4.64 -1.89 -2.19 113.55 110.85 3iyl h SER 834 Ca 0.12 0.14 0.07 0.00 -0.47 0.00 0.00 61.79 61.65 3iyl h SER 834 Cb 0.38 0.38 -0.08 0.00 -0.31 0.00 0.00 62.40 62.76 3iyl h SER 834 CO -0.72 -0.28 -0.35 -0.74 -0.87 0.00 0.00 176.83 173.86 3iyl h HIS 835 N -0.26 -0.98 -0.16 4.77 6.17 -1.51 0.38 115.15 123.56 3iyl h HIS 835 Ca 0.14 0.06 0.05 0.00 0.71 0.00 0.00 60.37 61.32 3iyl h HIS 835 Cb 0.47 0.48 -0.01 0.00 2.52 0.00 0.00 27.41 30.87 3iyl h HIS 835 CO -0.40 -0.40 0.23 1.25 0.71 0.00 0.00 177.93 179.32 3iyl h HIS 836 N -0.31 0.00 0.00 5.26 6.17 -0.30 -1.88 115.15 124.09 3iyl h HIS 836 Ca 0.15 0.00 -0.13 0.00 0.71 0.00 0.00 60.37 61.10 3iyl h HIS 836 Cb 0.55 0.00 -0.02 0.00 2.52 0.00 0.00 27.41 30.47 3iyl h HIS 836 CO -0.53 0.00 -0.74 1.88 0.71 0.00 0.00 177.93 179.25 3iyl h TYR 837 N 0.00 0.00 -0.17 5.26 0.99 -0.34 -2.27 116.97 120.44 3iyl h TYR 837 Ca 0.08 0.00 0.05 0.00 2.00 0.00 0.00 58.73 60.86 3iyl h TYR 837 Cb 0.54 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 38.26 3iyl h TYR 837 CO 0.00 1.12 0.80 0.78 -0.00 0.00 0.00 178.16 180.86 3iyl h GLY 838 N -1.00 0.00 0.03 3.88 0.00 0.35 0.87 103.07 107.20 3iyl h GLY 838 Ca -0.19 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 46.87 3iyl h GLY 838 CO -0.12 0.00 -1.45 1.17 0.00 0.00 0.00 176.54 176.15 3iyl n LYS 839 N -2.80 0.58 0.07 4.80 4.81 -0.78 -3.62 118.16 121.23 3iyl n LYS 839 Ca 0.03 0.53 0.08 0.00 -0.87 0.00 0.00 58.31 58.08 3iyl n LYS 839 Cb 0.87 -1.72 0.37 0.00 0.02 0.00 0.00 35.03 34.57 3iyl n LYS 839 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3iyl n ALA 840 N -3.49 1.45 -0.03 3.14 0.00 0.28 -2.90 120.51 118.95 3iyl n ALA 840 Ca -0.35 0.05 0.01 0.00 0.00 0.00 0.00 53.44 53.15 3iyl n ALA 840 Cb 0.72 -1.26 -0.11 0.00 0.00 0.00 0.00 19.45 18.80 3iyl n ALA 840 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3iyl n PHE 841 N -1.88 0.00 -0.14 0.00 0.99 0.36 -4.73 117.46 112.06 3iyl n PHE 841 Ca 0.02 0.00 -0.04 0.00 -0.00 0.00 0.00 57.45 57.43 3iyl n PHE 841 Cb 0.14 -0.47 -0.03 0.00 -1.00 0.00 0.00 39.48 38.12 3iyl n PHE 841 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3iyl n ALA 842 N -2.22 -0.21 -0.15 4.37 0.00 -1.14 -2.41 120.51 118.75 3iyl n ALA 842 Ca -0.11 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.61 3iyl n ALA 842 Cb 0.62 0.02 0.00 0.00 0.00 0.00 0.00 19.45 20.10 3iyl n ALA 842 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3iyl n PRO 843 N -3.94 0.00 -0.46 0.00 -0.04 -1.26 -2.14 135.00 127.15 3iyl n PRO 843 Ca 0.01 0.53 -0.13 0.00 -0.04 0.00 0.00 63.50 63.87 3iyl n PRO 843 Cb 0.08 -1.42 -0.02 0.00 -0.04 0.00 0.00 33.50 32.10 3iyl n PRO 843 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 3iyl n LEU 844 N -1.98 3.04 0.00 1.53 -0.00 -1.01 -0.62 117.00 117.96 3iyl n LEU 844 Ca 0.00 -2.13 0.00 0.00 -0.00 0.00 0.00 56.01 53.88 3iyl n LEU 844 Cb 0.00 -0.84 0.00 0.00 -0.00 0.00 0.00 43.42 42.58 3iyl n LEU 844 CO 0.00 0.01 0.00 0.49 -0.00 0.00 0.00 177.39 177.89 3iyl n PHE 845 N 4.25 0.00 -0.01 1.47 0.99 -1.22 -4.80 117.46 118.15 3iyl n PHE 845 Ca 0.27 0.00 -0.12 0.00 -0.00 0.00 0.00 57.45 57.60 3iyl n PHE 845 Cb 0.12 0.00 -0.14 0.00 -1.00 0.00 0.00 39.48 38.46 3iyl n PHE 845 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3iyl h ALA 846 N 0.00 0.65 -2.21 4.37 0.00 -0.34 -3.47 119.26 118.27 3iyl h ALA 846 Ca 0.00 -1.41 -0.47 0.00 0.00 0.00 0.00 54.91 53.04 3iyl h ALA 846 Cb 0.00 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3iyl h ALA 846 CO 0.00 1.48 -0.30 0.45 0.00 0.00 0.00 179.25 180.88 3iyl s SER 847 N -6.39 6.30 -0.71 0.00 0.15 -1.25 -4.74 113.70 107.06 3iyl s SER 847 Ca -0.09 0.26 -0.03 0.00 0.70 0.00 0.00 55.95 56.80 3iyl s SER 847 Cb 0.08 -1.93 0.19 0.00 -1.71 0.00 0.00 66.02 62.64 3iyl s SER 847 CO 0.81 -0.20 2.41 -0.46 1.20 0.00 0.00 173.24 177.01 3iyl n ASN 848 N -1.62 7.04 0.07 5.45 6.94 -1.26 -4.30 115.26 127.60 3iyl n ASN 848 Ca -0.07 -3.46 -0.13 0.00 -0.02 0.00 0.00 54.58 50.90 3iyl n ASN 848 Cb 0.57 -1.18 -0.13 0.00 -2.36 0.00 0.00 39.78 36.67 3iyl n ASN 848 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3iyl h ALA 849 N 3.21 0.25 -0.10 -2.53 0.00 -1.98 -3.13 119.26 114.99 3iyl h ALA 849 Ca 0.49 -0.98 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 3iyl h ALA 849 Cb 0.41 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3iyl h ALA 849 CO 1.15 1.13 -0.02 1.98 0.00 0.00 0.00 179.25 183.48 3iyl h MET 850 N 0.05 0.13 0.00 0.00 1.85 -1.91 -1.00 114.93 114.05 3iyl h MET 850 Ca -0.13 -0.02 0.00 0.00 -0.61 0.00 0.00 59.70 58.95 3iyl h MET 850 Cb 1.92 -0.03 0.00 0.00 0.43 0.00 0.00 31.60 33.93 3iyl h MET 850 CO 0.17 0.17 0.00 0.74 -0.40 0.00 0.00 176.91 177.59 3iyl h PHE 851 N 0.13 0.00 0.84 1.39 0.05 -1.86 -3.35 116.94 114.13 3iyl h PHE 851 Ca 0.03 0.00 -0.04 0.00 3.82 0.00 0.00 57.97 61.78 3iyl h PHE 851 Cb 0.14 0.00 0.01 0.00 2.00 0.00 0.00 35.95 38.09 3iyl h PHE 851 CO 0.00 0.00 -0.40 1.15 -0.18 0.00 0.00 178.31 178.88 3iyl h THR 852 N 0.00 0.00 -0.65 -1.55 2.02 -1.17 -2.34 112.91 109.22 3iyl h THR 852 Ca 0.00 -0.13 0.19 0.00 0.77 0.00 0.00 66.41 67.24 3iyl h THR 852 Cb 0.90 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.28 3iyl h THR 852 CO 0.00 0.00 0.62 0.08 0.37 0.00 0.00 175.52 176.59 3iyl h ARG 853 N -1.26 0.00 0.00 6.66 0.11 -1.70 0.74 114.38 118.93 3iyl h ARG 853 Ca -0.12 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.96 3iyl h ARG 853 Cb 0.86 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.94 3iyl h ARG 853 CO 0.19 0.00 -0.00 -0.97 0.10 0.00 0.00 179.97 179.28 3iyl h ASN 854 N 0.00 0.00 0.00 0.08 -0.73 -1.55 -2.04 115.58 111.34 3iyl h ASN 854 Ca 0.31 0.00 -0.38 0.00 1.87 0.00 0.00 56.30 58.10 3iyl h ASN 854 Cb 1.55 0.00 -0.07 0.00 0.27 0.00 0.00 38.32 40.07 3iyl h ASN 854 CO -0.00 0.00 -2.42 0.00 -0.37 0.00 0.00 177.43 174.64 3iyl n GLN 855 N -3.42 0.64 0.08 6.67 6.02 0.25 -3.62 117.38 124.00 3iyl n GLN 855 Ca -0.03 0.13 0.21 0.00 -0.01 0.00 0.00 57.00 57.30 3iyl n GLN 855 Cb 0.08 -1.50 0.74 0.00 1.02 0.00 0.00 30.24 30.58 3iyl n GLN 855 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 3iyl h ARG 856 N 0.00 0.00 0.28 -1.09 9.65 -1.20 0.30 114.38 122.31 3iyl h ARG 856 Ca -0.56 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.31 3iyl h ARG 856 Cb 1.89 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.48 3iyl h ARG 856 CO -0.08 0.00 -0.13 0.00 2.80 0.00 0.00 179.97 182.56 3iyl h ALA 857 N 1.48 -0.37 -0.25 2.80 0.00 -1.51 -2.63 119.26 118.78 3iyl h ALA 857 Ca 0.21 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.98 3iyl h ALA 857 Cb 1.14 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 19.01 3iyl h ALA 857 CO -0.00 -0.46 -0.16 0.28 0.00 0.00 0.00 179.25 178.90 3iyl h VAL 858 N -0.88 0.53 -0.14 0.00 2.07 -0.61 0.14 116.25 117.35 3iyl h VAL 858 Ca -0.04 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.52 3iyl h VAL 858 Cb 0.51 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 3iyl h VAL 858 CO 0.06 0.00 0.12 0.40 0.02 0.00 0.00 177.57 178.17 3iyl h ILE 859 N -0.15 0.79 -0.08 4.57 1.08 -1.08 -1.27 117.51 121.37 3iyl h ILE 859 Ca 0.14 0.00 -0.10 0.00 -0.39 0.00 0.00 64.86 64.51 3iyl h ILE 859 Cb 0.36 0.92 0.00 0.00 -3.07 0.00 0.00 36.82 35.03 3iyl h ILE 859 CO -0.34 0.00 -0.33 0.74 -0.69 0.00 0.00 178.15 177.54 3iyl h THR 860 N 0.00 1.41 0.00 -0.27 2.02 -0.74 -1.34 112.91 114.00 3iyl h THR 860 Ca 0.07 -1.70 -0.00 0.00 0.77 0.00 0.00 66.41 65.54 3iyl h THR 860 Cb 0.30 2.27 -0.00 0.00 -1.74 0.00 0.00 68.15 68.98 3iyl h THR 860 CO -0.00 0.49 -0.00 -0.09 0.37 0.00 0.00 175.52 176.29 3iyl h ARG 861 N -0.11 0.00 0.00 6.66 2.43 0.07 -1.80 114.38 121.63 3iyl h ARG 861 Ca -0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3iyl h ARG 861 Cb 0.97 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.52 3iyl h ARG 861 CO 0.07 0.00 -0.08 0.93 -1.51 0.00 0.00 179.97 179.39 3iyl h GLU 862 N 0.00 0.00 -0.86 0.20 3.07 -1.17 -3.10 114.58 112.72 3iyl h GLU 862 Ca -0.00 0.00 0.35 0.00 -0.50 0.00 0.00 59.36 59.21 3iyl h GLU 862 Cb 0.05 0.00 -0.16 0.00 -0.84 0.00 0.00 28.75 27.80 3iyl h GLU 862 CO 0.00 0.00 0.40 0.00 -1.40 0.00 0.00 179.01 178.01 3iyl n ALA 863 N -2.46 0.83 -0.05 3.43 0.00 -0.52 0.45 120.51 122.19 3iyl n ALA 863 Ca -0.01 0.89 -0.13 0.00 0.00 0.00 0.00 53.44 54.18 3iyl n ALA 863 Cb 0.04 -0.85 -0.07 0.00 0.00 0.00 0.00 19.45 18.56 3iyl n ALA 863 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3iyl h PHE 864 N 0.00 0.45 0.00 0.00 3.04 -1.48 -1.89 116.94 117.06 3iyl h PHE 864 Ca 0.70 -0.15 -0.04 0.00 3.98 0.00 0.00 57.97 62.47 3iyl h PHE 864 Cb 1.82 -0.09 -0.01 0.00 2.56 0.00 0.00 35.95 40.24 3iyl h PHE 864 CO -0.07 0.79 -0.21 0.28 -2.02 0.00 0.00 178.31 177.08 3iyl h VAL 865 N -0.02 0.65 0.04 1.41 2.07 0.08 -0.16 116.25 120.32 3iyl h VAL 865 Ca 0.02 -0.92 -0.08 0.00 0.82 0.00 0.00 66.70 66.54 3iyl h VAL 865 Cb 0.74 1.59 0.01 0.00 -1.52 0.00 0.00 31.29 32.10 3iyl h VAL 865 CO 0.04 0.20 -0.34 0.00 0.02 0.00 0.00 177.57 177.49 3iyl h ALA 867 N 0.12 -0.46 -1.01 0.00 0.00 -1.15 1.64 119.26 118.41 3iyl h ALA 867 Ca -0.05 -0.04 0.23 0.00 0.00 0.00 0.00 54.91 55.04 3iyl h ALA 867 Cb 1.20 0.43 -0.12 0.00 0.00 0.00 0.00 17.79 19.30 3iyl h ALA 867 CO 0.07 -0.81 0.60 -0.09 0.00 0.00 0.00 179.25 179.02 3iyl h ARG 868 N -0.48 0.61 0.17 0.00 2.43 -1.13 0.34 114.38 116.32 3iyl h ARG 868 Ca 0.03 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 3iyl h ARG 868 Cb 0.51 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 3iyl h ARG 868 CO -0.15 0.40 -0.08 1.03 -1.51 0.00 0.00 179.97 179.66 3iyl h SER 869 N 0.63 -0.20 -0.24 -3.80 0.87 -0.71 -2.60 113.55 107.51 3iyl h SER 869 Ca 0.63 -0.34 0.06 0.00 -1.23 0.00 0.00 61.79 60.91 3iyl h SER 869 Cb 1.14 0.05 -0.07 0.00 -0.44 0.00 0.00 62.40 63.08 3iyl h SER 869 CO -0.45 0.34 -0.34 0.00 -0.53 0.00 0.00 176.83 175.86 3iyl h ALA 870 N -0.31 -0.32 -0.13 6.23 0.00 0.35 0.22 119.26 125.30 3iyl h ALA 870 Ca -0.02 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3iyl h ALA 870 Cb 0.52 0.67 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 3iyl h ALA 870 CO 0.04 -0.78 0.06 0.28 0.00 0.00 0.00 179.25 178.84 3iyl h VAL 871 N -0.35 1.13 0.00 0.00 2.07 -0.50 -2.52 116.25 116.08 3iyl h VAL 871 Ca 0.12 -0.39 -0.03 0.00 0.82 0.00 0.00 66.70 67.22 3iyl h VAL 871 Cb 0.55 1.15 -0.00 0.00 -1.52 0.00 0.00 31.29 31.47 3iyl h VAL 871 CO -0.43 0.12 -0.14 0.00 0.02 0.00 0.00 177.57 177.13 3iyl h ALA 872 N 0.92 1.46 0.12 1.67 0.00 -1.03 0.64 119.26 123.03 3iyl h ALA 872 Ca 0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3iyl h ALA 872 Cb 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3iyl h ALA 872 CO -0.00 0.18 -0.06 0.37 0.00 0.00 0.00 179.25 179.74 3iyl h GLN 873 N 0.00 -0.15 0.00 0.00 5.75 -0.44 -3.10 115.11 117.17 3iyl h GLN 873 Ca -0.00 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.51 3iyl h GLN 873 Cb 0.32 0.04 0.00 0.00 1.07 0.00 0.00 27.48 28.90 3iyl h GLN 873 CO 0.02 0.33 0.00 0.00 -2.65 0.00 0.00 178.83 176.53 3iyl n GLN 875 N -2.40 1.02 -3.59 0.00 -0.06 0.22 -4.81 117.38 107.76 3iyl n GLN 875 Ca 0.01 0.00 -0.29 0.00 -2.00 0.00 0.00 57.00 54.71 3iyl n GLN 875 Cb 0.18 0.00 -0.13 0.00 -4.06 0.00 0.00 30.24 26.23 3iyl n GLN 875 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 3iyl s ASP 876 N -1.00 3.34 -0.14 1.69 2.15 -1.26 -4.94 116.67 116.52 3iyl s ASP 876 Ca 0.00 -2.28 -0.06 0.00 0.43 0.00 0.00 52.55 50.63 3iyl s ASP 876 Cb 0.00 -0.68 0.02 0.00 -0.30 0.00 0.00 42.92 41.96 3iyl s ASP 876 CO 0.00 -0.31 0.12 0.00 -0.17 0.00 0.00 175.17 174.82 3iyl n ALA 877 N 3.95 -3.43 -3.00 3.66 0.00 -1.26 -5.11 120.51 115.32 3iyl n ALA 877 Ca 0.09 1.25 0.00 0.00 0.00 0.00 0.00 53.44 54.78 3iyl n ALA 877 Cb 0.36 -2.45 0.00 0.00 0.00 0.00 0.00 19.45 17.36 3iyl n ALA 877 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iyl n GLY 878 N 0.92 5.53 3.51 0.00 0.00 -1.26 -5.03 105.19 108.86 3iyl n GLY 878 Ca -0.21 -0.94 -0.53 0.00 0.00 0.00 0.00 46.02 44.34 3iyl n GLY 878 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3iyl n PHE 879 N 0.00 1.73 -0.54 1.61 3.01 -1.26 -4.44 117.46 117.58 3iyl n PHE 879 Ca 0.00 0.38 -0.02 0.00 1.01 0.00 0.00 57.45 58.82 3iyl n PHE 879 Cb 0.00 -2.49 -0.02 0.00 -0.01 0.00 0.00 39.48 36.95 3iyl n PHE 879 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 3iyl n LEU 880 N 8.16 -0.93 -4.15 4.37 4.32 -1.26 -4.83 117.00 122.68 3iyl n LEU 880 Ca 0.37 -0.61 -0.34 0.00 -0.02 0.00 0.00 56.01 55.41 3iyl n LEU 880 Cb 0.18 -0.29 -0.14 0.00 -1.62 0.00 0.00 43.42 41.55 3iyl n LEU 880 CO 0.79 -0.77 -0.36 0.68 -1.22 0.00 0.00 177.39 176.51 3iyl s VAL 881 N 0.00 2.84 -0.42 4.08 -7.23 -1.26 -5.06 120.40 113.35 3iyl s VAL 881 Ca 0.12 -1.50 -0.40 0.00 -1.81 0.00 0.00 61.98 58.39 3iyl s VAL 881 Cb -0.08 -2.68 -0.16 0.00 0.56 0.00 0.00 36.38 34.03 3iyl s VAL 881 CO 0.05 -0.15 2.09 -0.81 -0.31 0.00 0.00 175.10 175.98 3iyl n PRO 882 N 4.58 0.53 -3.28 4.82 -0.04 -1.26 -4.86 135.00 135.49 3iyl n PRO 882 Ca -0.12 0.15 -0.46 0.00 -0.04 0.00 0.00 63.50 63.03 3iyl n PRO 882 Cb 0.43 -1.93 -0.04 0.00 -0.04 0.00 0.00 33.50 31.91 3iyl n PRO 882 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 3iyl s ARG 883 N 5.69 3.11 0.00 0.54 3.03 -1.26 -4.87 118.95 125.19 3iyl s ARG 883 Ca 1.13 -1.78 0.18 0.00 2.03 0.00 0.00 55.73 57.29 3iyl s ARG 883 Cb -1.21 -4.33 0.93 0.00 -1.03 0.00 0.00 34.95 29.32 3iyl s ARG 883 CO 0.60 -1.36 1.62 -0.35 -1.13 0.00 0.00 175.30 174.68 3iyl n PRO 884 N 5.21 1.20 -2.16 3.89 -0.04 -1.26 -3.51 135.00 138.33 3iyl n PRO 884 Ca -0.08 -0.29 -0.25 0.00 -0.04 0.00 0.00 63.50 62.83 3iyl n PRO 884 Cb 0.42 -1.30 0.01 0.00 -0.04 0.00 0.00 33.50 32.59 3iyl n PRO 884 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3iyl n LEU 885 N -0.47 4.87 0.16 1.53 4.77 -1.26 -4.79 117.00 121.81 3iyl n LEU 885 Ca 0.14 -4.89 0.05 0.00 -0.03 0.00 0.00 56.01 51.27 3iyl n LEU 885 Cb 0.13 -0.38 0.13 0.00 -2.33 0.00 0.00 43.42 40.97 3iyl n LEU 885 CO 0.10 2.15 0.57 -0.78 -1.33 0.00 0.00 177.39 178.10 3iyl h ASP 886 N 2.30 0.00 -0.14 -1.43 -0.00 -1.97 -3.28 116.42 111.90 3iyl h ASP 886 Ca 0.35 0.00 -0.01 0.00 -0.00 0.00 0.00 57.03 57.37 3iyl h ASP 886 Cb 1.35 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 40.68 3iyl h ASP 886 CO 0.79 0.41 0.06 0.00 -0.00 0.00 0.00 179.24 180.50 3iyl h ALA 887 N 1.59 0.18 -2.04 -0.78 0.00 -1.91 -3.44 119.26 112.86 3iyl h ALA 887 Ca -0.00 -0.09 -0.51 0.00 0.00 0.00 0.00 54.91 54.31 3iyl h ALA 887 Cb 1.21 -0.05 0.22 0.00 0.00 0.00 0.00 17.79 19.17 3iyl h ALA 887 CO 0.05 -0.25 -0.72 1.28 0.00 0.00 0.00 179.25 179.62 3iyl n LEU 888 N -4.90 -0.83 0.00 0.00 4.32 -1.24 -4.94 117.00 109.40 3iyl n LEU 888 Ca -0.05 0.20 -0.15 0.00 -0.02 0.00 0.00 56.01 55.99 3iyl n LEU 888 Cb 0.10 -1.14 0.10 0.00 -1.62 0.00 0.00 43.42 40.87 3iyl n LEU 888 CO 0.34 -3.50 0.44 -1.14 -1.22 0.00 0.00 177.39 172.31 3iyl n ARG 889 N -1.81 -0.44 0.00 3.23 3.00 -1.26 -4.80 116.66 114.58 3iyl n ARG 889 Ca 0.05 -1.27 0.00 0.00 -0.00 0.00 0.00 57.85 56.63 3iyl n ARG 889 Cb 0.56 -0.65 0.00 0.00 0.00 0.00 0.00 32.46 32.37 3iyl n ARG 889 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 3iyl n GLN 890 N -2.41 0.00 -0.05 -0.14 -0.06 -0.55 -2.64 117.38 111.52 3iyl n GLN 890 Ca 0.09 0.00 0.04 0.00 -2.00 0.00 0.00 57.00 55.13 3iyl n GLN 890 Cb 0.33 0.00 0.06 0.00 -4.06 0.00 0.00 30.24 26.57 3iyl n GLN 890 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 3iyl n PHE 891 N 0.00 0.14 -3.88 3.69 -0.00 -1.09 -4.84 117.46 111.48 3iyl n PHE 891 Ca 0.00 -0.23 -0.33 0.00 -0.00 0.00 0.00 57.45 56.89 3iyl n PHE 891 Cb 0.00 -0.02 -0.13 0.00 -0.00 0.00 0.00 39.48 39.34 3iyl n PHE 891 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 3iyl s ASP 892 N -0.79 4.92 0.00 -2.13 2.15 -1.26 -4.87 116.67 114.69 3iyl s ASP 892 Ca 0.12 -2.41 0.14 0.00 0.43 0.00 0.00 52.55 50.83 3iyl s ASP 892 Cb 0.07 -1.74 0.27 0.00 -0.30 0.00 0.00 42.92 41.23 3iyl s ASP 892 CO 0.10 -0.40 1.17 1.33 -0.17 0.00 0.00 175.17 177.20 3iyl n VAL 893 N 4.00 0.57 -1.97 1.11 0.24 -1.26 -4.76 118.33 116.25 3iyl n VAL 893 Ca 0.03 -0.78 -0.38 0.00 -2.04 0.00 0.00 64.34 61.17 3iyl n VAL 893 Cb 0.39 0.85 0.02 0.00 -1.47 0.00 0.00 33.84 33.63 3iyl n VAL 893 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3iyl s THR 894 N -1.09 2.48 0.21 3.34 -4.23 -1.26 -4.77 115.64 110.33 3iyl s THR 894 Ca 0.24 0.35 -0.19 0.00 -1.18 0.00 0.00 61.69 60.92 3iyl s THR 894 Cb 0.14 -3.18 0.19 0.00 1.34 0.00 0.00 72.50 70.99 3iyl s THR 894 CO 0.19 -0.01 1.50 -1.20 -0.54 0.00 0.00 174.62 174.57 3iyl n SER 895 N -0.93 -0.69 -0.34 3.99 7.64 -1.26 0.12 113.62 122.15 3iyl n SER 895 Ca 0.10 1.70 0.12 0.00 1.01 0.00 0.00 58.87 61.80 3iyl n SER 895 Cb 0.47 -0.36 0.24 0.00 -1.01 0.00 0.00 64.21 63.54 3iyl n SER 895 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3iyl n ALA 896 N -3.45 0.42 -0.17 -0.43 0.00 -1.26 0.30 120.51 115.91 3iyl n ALA 896 Ca 0.09 1.04 0.05 0.00 0.00 0.00 0.00 53.44 54.62 3iyl n ALA 896 Cb 0.37 -0.72 0.34 0.00 0.00 0.00 0.00 19.45 19.44 3iyl n ALA 896 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iyl h ALA 897 N 1.92 1.67 0.43 0.00 0.00 0.64 0.19 119.26 124.11 3iyl h ALA 897 Ca 0.55 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.41 3iyl h ALA 897 Cb 1.06 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3iyl h ALA 897 CO -0.93 0.24 -0.21 0.00 0.00 0.00 0.00 179.25 178.35 3iyl h ALA 898 N 1.61 -0.62 -0.84 0.00 0.00 0.50 -1.43 119.26 118.47 3iyl h ALA 898 Ca 0.29 -0.13 0.21 0.00 0.00 0.00 0.00 54.91 55.29 3iyl h ALA 898 Cb 0.17 0.22 -0.13 0.00 0.00 0.00 0.00 17.79 18.06 3iyl h ALA 898 CO -0.09 -0.58 0.26 0.00 0.00 0.00 0.00 179.25 178.84 3iyl h ALA 899 N -1.25 1.23 0.23 0.00 0.00 -0.69 1.30 119.26 120.07 3iyl h ALA 899 Ca -0.06 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3iyl h ALA 899 Cb 0.44 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3iyl h ALA 899 CO 0.10 -0.39 -0.15 0.93 0.00 0.00 0.00 179.25 179.73 3iyl h GLU 900 N 0.28 -0.36 0.45 0.00 5.08 -0.64 0.32 114.58 119.71 3iyl h GLU 900 Ca 0.51 0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.88 3iyl h GLU 900 Cb 0.98 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.31 3iyl h GLU 900 CO -0.58 -0.24 -0.26 0.82 -1.00 0.00 0.00 179.01 177.75 3iyl h ILE 901 N -0.38 0.00 0.00 3.13 2.04 0.31 -2.26 117.51 120.35 3iyl h ILE 901 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.84 3iyl h ILE 901 Cb 0.32 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.40 3iyl h ILE 901 CO 0.01 0.00 0.31 0.80 0.00 0.00 0.00 178.15 179.27 3iyl n MET 902 N -3.93 0.08 -0.09 2.37 1.56 0.42 -1.75 117.12 115.78 3iyl n MET 902 Ca -0.08 0.53 -0.15 0.00 -0.27 0.00 0.00 57.70 57.73 3iyl n MET 902 Cb 0.27 -2.06 -0.09 0.00 2.15 0.00 0.00 33.22 33.49 3iyl n MET 902 CO 0.00 0.00 0.00 1.25 -0.73 0.00 0.00 175.97 176.49 3iyl h HIS 903 N 0.00 0.00 -0.52 1.12 6.17 0.19 -3.24 115.15 118.88 3iyl h HIS 903 Ca 0.00 0.00 0.09 0.00 0.71 0.00 0.00 60.37 61.17 3iyl h HIS 903 Cb 0.62 0.00 -0.07 0.00 2.52 0.00 0.00 27.41 30.48 3iyl h HIS 903 CO 0.00 0.99 0.11 0.00 0.71 0.00 0.00 177.93 179.74 3iyl h ALA 904 N -0.58 0.59 -0.99 5.26 0.00 -0.82 0.10 119.26 122.83 3iyl h ALA 904 Ca -0.20 0.10 0.18 0.00 0.00 0.00 0.00 54.91 55.00 3iyl h ALA 904 Cb 1.00 0.13 -0.10 0.00 0.00 0.00 0.00 17.79 18.83 3iyl h ALA 904 CO -0.12 -0.30 0.61 0.28 0.00 0.00 0.00 179.25 179.73 3iyl h VAL 905 N 0.26 0.74 0.00 0.00 2.07 -1.65 1.07 116.25 118.72 3iyl h VAL 905 Ca 0.26 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.53 3iyl h VAL 905 Cb 0.35 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.05 3iyl h VAL 905 CO -0.33 0.13 0.00 -3.20 0.02 0.00 0.00 177.57 174.19 3iyl n ASN 906 N -4.69 0.16 -0.09 0.57 5.15 0.27 -2.57 115.26 114.06 3iyl n ASN 906 Ca 0.22 0.53 -0.11 0.00 -0.60 0.00 0.00 54.58 54.62 3iyl n ASN 906 Cb 0.56 -0.57 -0.04 0.00 -0.53 0.00 0.00 39.78 39.20 3iyl n ASN 906 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 3iyl n ASP 907 N -1.66 1.87 -0.30 1.20 9.92 0.31 -2.99 116.55 124.90 3iyl n ASP 907 Ca 0.05 0.49 0.27 0.00 -0.53 0.00 0.00 54.79 55.08 3iyl n ASP 907 Cb 0.26 -0.84 0.51 0.00 -0.64 0.00 0.00 41.12 40.40 3iyl n ASP 907 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3iyl n ALA 908 N -3.89 0.88 0.04 2.24 0.00 0.20 0.11 120.51 120.10 3iyl n ALA 908 Ca -0.17 0.94 -0.20 0.00 0.00 0.00 0.00 53.44 54.02 3iyl n ALA 908 Cb 0.45 -0.91 -0.14 0.00 0.00 0.00 0.00 19.45 18.85 3iyl n ALA 908 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 3iyl h PHE 909 N 0.00 0.50 -0.17 0.00 0.04 -1.68 0.13 116.94 115.77 3iyl h PHE 909 Ca 0.75 -0.37 0.05 0.00 2.80 0.00 0.00 57.97 61.20 3iyl h PHE 909 Cb 1.95 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 40.07 3iyl h PHE 909 CO -0.07 1.33 0.14 0.87 -0.60 0.00 0.00 178.31 179.98 3iyl h LYS 910 N -0.40 0.00 0.12 1.51 1.57 0.27 0.12 116.57 119.76 3iyl h LYS 910 Ca -0.16 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.30 3iyl h LYS 910 Cb 1.63 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.93 3iyl h LYS 910 CO 0.13 0.00 -1.71 1.15 -0.57 0.00 0.00 179.45 178.45 3iyl h THR 911 N 0.00 0.82 -0.20 -0.16 2.02 0.75 -2.29 112.91 113.85 3iyl h THR 911 Ca 0.08 -2.36 -0.01 0.00 0.77 0.00 0.00 66.41 64.89 3iyl h THR 911 Cb 0.36 2.56 -0.01 0.00 -1.74 0.00 0.00 68.15 69.33 3iyl h THR 911 CO -0.00 0.77 0.08 0.00 0.37 0.00 0.00 175.52 176.73 3iyl h ALA 912 N -0.03 0.26 -0.00 6.16 0.00 0.24 -3.23 119.26 122.66 3iyl h ALA 912 Ca -0.37 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3iyl h ALA 912 Cb 1.88 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.59 3iyl h ALA 912 CO 0.06 -0.14 -0.84 1.19 0.00 0.00 0.00 179.25 179.51 3iyl n PHE 913 N -4.82 0.00 -2.69 0.00 3.01 0.33 -4.85 117.46 108.45 3iyl n PHE 913 Ca -0.04 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.39 3iyl n PHE 913 Cb 0.13 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.57 3iyl n PHE 913 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 3iyl n ASP 914 N -1.23 -3.21 -3.18 4.37 5.75 -0.87 -1.80 116.55 116.39 3iyl n ASP 914 Ca 0.05 1.28 0.02 0.00 -0.01 0.00 0.00 54.79 56.12 3iyl n ASP 914 Cb 0.33 -4.05 -0.01 0.00 -1.03 0.00 0.00 41.12 36.35 3iyl n ASP 914 CO 0.00 0.00 0.00 -1.48 -0.11 0.00 0.00 177.20 175.61 3iyl s LEU 915 N -0.44 -1.47 0.28 -2.12 2.34 -1.16 -4.53 118.68 111.58 3iyl s LEU 915 Ca -0.17 0.13 0.00 0.00 0.06 0.00 0.00 54.13 54.15 3iyl s LEU 915 Cb 0.01 1.88 0.64 0.00 -0.56 0.00 0.00 46.19 48.15 3iyl s LEU 915 CO 0.46 -0.31 1.66 -2.24 -1.06 0.00 0.00 176.35 174.87 3iyl h ASP 916 N 8.03 0.02 -1.70 1.48 3.04 -1.92 -3.44 116.42 121.93 3iyl h ASP 916 Ca -0.04 0.18 -0.64 0.00 -3.24 0.00 0.00 57.03 53.30 3iyl h ASP 916 Cb 1.18 0.24 0.12 0.00 -1.04 0.00 0.00 39.33 39.83 3iyl h ASP 916 CO 0.18 -0.11 -0.41 0.61 -2.04 0.00 0.00 179.24 177.47 3iyl n GLY 917 N -1.37 -1.48 3.63 7.15 0.00 -1.26 -4.80 105.19 107.05 3iyl n GLY 917 Ca 0.19 0.23 -0.43 0.00 0.00 0.00 0.00 46.02 46.02 3iyl n GLY 917 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iyl s ALA 918 N -1.20 3.20 -0.03 4.61 0.00 -1.26 -4.97 121.76 122.11 3iyl s ALA 918 Ca 0.62 0.73 0.05 0.00 0.00 0.00 0.00 51.96 53.36 3iyl s ALA 918 Cb -0.77 -3.91 -0.01 0.00 0.00 0.00 0.00 23.12 18.43 3iyl s ALA 918 CO 0.58 -2.09 -0.18 -1.17 0.00 0.00 0.00 175.76 172.91 3iyl s LEU 919 N 5.83 1.98 0.00 0.00 0.20 -1.26 -4.73 118.68 120.70 3iyl s LEU 919 Ca 0.82 -0.34 0.00 0.00 0.69 0.00 0.00 54.13 55.31 3iyl s LEU 919 Cb -0.31 -0.95 0.00 0.00 -0.43 0.00 0.00 46.19 44.51 3iyl s LEU 919 CO 0.33 0.19 0.00 -0.11 -0.29 0.00 0.00 176.35 176.47 3iyl n LEU 920 N 2.89 0.97 0.00 -0.68 -0.00 -1.26 -4.93 117.00 113.99 3iyl n LEU 920 Ca -0.16 0.00 -0.02 0.00 -0.00 0.00 0.00 56.01 55.83 3iyl n LEU 920 Cb 0.53 -1.80 0.01 0.00 -0.00 0.00 0.00 43.42 42.16 3iyl n LEU 920 CO 0.24 -0.66 0.05 0.47 -0.00 0.00 0.00 177.39 177.49 3iyl n ASP 921 N -0.31 0.02 0.00 1.96 9.92 -1.26 -4.16 116.55 122.72 3iyl n ASP 921 Ca 0.00 -1.04 0.00 0.00 -0.53 0.00 0.00 54.79 53.22 3iyl n ASP 921 Cb 0.17 -0.05 0.00 0.00 -0.64 0.00 0.00 41.12 40.60 3iyl n ASP 921 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3iyl n GLY 922 N 4.52 0.17 0.32 0.44 0.00 -1.26 -4.46 105.19 104.93 3iyl n GLY 922 Ca 0.01 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.14 3iyl n GLY 922 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3iyl h LEU 923 N 0.00 0.54 0.00 0.99 3.38 -1.94 -2.77 115.31 115.50 3iyl h LEU 923 Ca 0.00 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3iyl h LEU 923 Cb 0.00 0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3iyl h LEU 923 CO 0.00 0.15 0.00 0.00 0.09 0.00 0.00 178.44 178.68 3iyl n ALA 924 N -2.42 -0.42 0.00 1.53 0.00 -1.26 -4.49 120.51 113.45 3iyl n ALA 924 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.65 3iyl n ALA 924 Cb 0.56 0.04 0.00 0.00 0.00 0.00 0.00 19.45 20.05 3iyl n ALA 924 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3iyl n LEU 925 N -1.97 0.00 -0.62 0.00 0.00 -1.04 -0.38 117.00 112.99 3iyl n LEU 925 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 3iyl n LEU 925 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 3iyl n LEU 925 CO 0.00 0.00 0.16 -1.22 0.00 0.00 0.00 177.39 176.33 3iyl n TYR 926 N 0.00 0.00 -3.84 1.96 4.01 -1.26 -4.84 117.16 113.18 3iyl n TYR 926 Ca 0.00 -0.06 -0.36 0.00 -0.16 0.00 0.00 57.90 57.32 3iyl n TYR 926 Cb 0.00 -0.08 0.03 0.00 -0.31 0.00 0.00 39.34 38.97 3iyl n TYR 926 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3iyl n GLY 927 N 0.35 -0.98 2.74 2.72 0.00 0.49 -4.97 105.19 105.54 3iyl n GLY 927 Ca 0.00 0.43 0.02 0.00 0.00 0.00 0.00 46.02 46.47 3iyl n GLY 927 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3iyl s ASP 928 N -3.40 -0.25 0.22 1.61 3.68 -1.24 -4.90 116.67 112.38 3iyl s ASP 928 Ca 0.40 -0.13 -0.02 0.00 2.13 0.00 0.00 52.55 54.93 3iyl s ASP 928 Cb -0.18 0.33 0.19 0.00 -1.45 0.00 0.00 42.92 41.81 3iyl s ASP 928 CO 0.91 -0.03 1.59 -0.65 0.13 0.00 0.00 175.17 177.12 3iyl h PRO 929 N 5.34 0.61 -0.84 4.34 0.11 -1.87 -3.29 132.00 136.40 3iyl h PRO 929 Ca -0.04 -0.31 0.29 0.00 0.11 0.00 0.00 66.00 66.05 3iyl h PRO 929 Cb 1.24 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.27 3iyl h PRO 929 CO -0.08 0.90 0.55 0.54 -0.21 0.00 0.00 178.00 179.69 3iyl n ARG 930 N -4.04 -0.02 -2.47 1.05 1.74 -1.26 0.77 116.66 112.42 3iyl n ARG 930 Ca -0.02 0.73 -0.23 0.00 -0.77 0.00 0.00 57.85 57.57 3iyl n ARG 930 Cb 0.51 -1.46 0.01 0.00 -1.02 0.00 0.00 32.46 30.50 3iyl n ARG 930 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3iyl n ILE 931 N -3.80 2.10 -2.17 0.55 5.41 -1.24 -4.92 119.36 115.29 3iyl n ILE 931 Ca 0.24 -4.46 -0.42 0.00 1.00 0.00 0.00 62.75 59.11 3iyl n ILE 931 Cb 0.95 -0.83 -0.03 0.00 -0.71 0.00 0.00 39.64 39.02 3iyl n ILE 931 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3iyl s ALA 932 N -3.48 3.61 -0.29 -1.39 0.00 0.23 -3.60 121.76 116.85 3iyl s ALA 932 Ca 0.44 0.87 -0.12 0.00 0.00 0.00 0.00 51.96 53.15 3iyl s ALA 932 Cb 0.41 -3.64 0.11 0.00 0.00 0.00 0.00 23.12 20.00 3iyl s ALA 932 CO -0.12 -1.08 0.65 0.34 0.00 0.00 0.00 175.76 175.55 3iyl s ASP 933 N 2.29 -1.06 0.34 0.00 2.15 0.06 -4.85 116.67 115.59 3iyl s ASP 933 Ca 0.66 1.54 -0.17 0.00 0.43 0.00 0.00 52.55 55.01 3iyl s ASP 933 Cb -0.31 2.01 -0.09 0.00 -0.30 0.00 0.00 42.92 44.22 3iyl s ASP 933 CO 0.26 -0.23 0.79 -0.76 -0.17 0.00 0.00 175.17 175.06 3iyl s LEU 934 N 2.52 4.05 -0.30 -1.34 1.43 -1.26 -3.67 118.68 120.12 3iyl s LEU 934 Ca -0.07 1.39 -0.16 0.00 -1.03 0.00 0.00 54.13 54.26 3iyl s LEU 934 Cb -0.10 -4.16 0.20 0.00 0.03 0.00 0.00 46.19 42.16 3iyl s LEU 934 CO -0.19 -0.23 1.20 -0.55 0.23 0.00 0.00 176.35 176.81 3iyl s SER 935 N -2.21 -0.16 0.31 2.29 0.15 -1.20 -3.98 113.70 108.90 3iyl s SER 935 Ca 0.55 0.26 0.09 0.00 0.70 0.00 0.00 55.95 57.55 3iyl s SER 935 Cb -0.10 1.08 -0.05 0.00 -1.71 0.00 0.00 66.02 65.24 3iyl s SER 935 CO 0.17 -0.04 0.05 0.00 1.20 0.00 0.00 173.24 174.62 3iyl s ALA 936 N 1.19 3.29 0.00 5.45 0.00 -1.20 0.87 121.76 131.37 3iyl s ALA 936 Ca -0.08 -1.80 0.00 0.00 0.00 0.00 0.00 51.96 50.08 3iyl s ALA 936 Cb -0.02 -0.64 0.00 0.00 0.00 0.00 0.00 23.12 22.45 3iyl s ALA 936 CO -0.11 0.13 0.00 0.00 0.00 0.00 0.00 175.76 175.78 3iyl n ALA 937 N -1.00 0.00 -1.98 0.00 0.00 0.24 -1.09 120.51 116.67 3iyl n ALA 937 Ca -0.05 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.14 3iyl n ALA 937 Cb 0.61 0.00 0.13 0.00 0.00 0.00 0.00 19.45 20.19 3iyl n ALA 937 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 3iyl s TYR 938 N 0.00 1.52 -0.22 0.00 1.13 -1.26 -1.69 117.35 116.84 3iyl s TYR 938 Ca 0.00 -0.15 -0.04 0.00 -1.41 0.00 0.00 57.07 55.47 3iyl s TYR 938 Cb 0.00 -3.27 0.10 0.00 -1.10 0.00 0.00 41.96 37.69 3iyl s TYR 938 CO 0.00 -1.97 0.22 -1.17 -2.51 0.00 0.00 175.55 170.12 3iyl s LEU 939 N -5.33 -0.05 0.21 -3.49 0.20 0.85 -4.11 118.68 106.96 3iyl s LEU 939 Ca 0.68 -0.38 -0.30 0.00 0.69 0.00 0.00 54.13 54.83 3iyl s LEU 939 Cb -0.05 0.31 -0.08 0.00 -0.43 0.00 0.00 46.19 45.94 3iyl s LEU 939 CO 0.47 -0.34 1.07 -1.10 -0.29 0.00 0.00 176.35 176.16 3iyl s GLN 940 N 2.30 4.64 0.21 1.98 -0.21 -0.93 -1.74 119.66 125.90 3iyl s GLN 940 Ca 0.07 1.70 -0.07 0.00 0.02 0.00 0.00 55.36 57.08 3iyl s GLN 940 Cb -0.16 -3.26 0.32 0.00 1.00 0.00 0.00 33.01 30.92 3iyl s GLN 940 CO -0.16 0.17 1.18 0.98 -2.12 0.00 0.00 175.29 175.34 3iyl n TYR 941 N 1.95 0.23 -0.05 0.91 4.19 0.15 -2.16 117.16 122.38 3iyl n TYR 941 Ca 0.01 0.93 -0.03 0.00 3.31 0.00 0.00 57.90 62.11 3iyl n TYR 941 Cb 0.46 -0.91 -0.03 0.00 0.49 0.00 0.00 39.34 39.35 3iyl n TYR 941 CO 0.00 0.00 0.00 0.78 0.91 0.00 0.00 176.86 178.55 3iyl h GLY 942 N 0.00 -1.82 0.00 2.98 0.00 -0.95 -3.47 103.07 99.82 3iyl h GLY 942 Ca 0.35 0.86 0.00 0.00 0.00 0.00 0.00 47.33 48.54 3iyl h GLY 942 CO -0.78 -0.62 0.00 0.61 0.00 0.00 0.00 176.54 175.76 3iyl n GLY 943 N -1.09 -1.14 1.61 4.60 0.00 -0.92 -5.12 105.19 103.13 3iyl n GLY 943 Ca -0.01 0.37 -0.28 0.00 0.00 0.00 0.00 46.02 46.10 3iyl n GLY 943 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3iyl n ASN 944 N -2.84 0.26 -0.26 1.61 5.15 -1.26 -4.68 115.26 113.24 3iyl n ASN 944 Ca 0.00 0.52 0.03 0.00 -0.60 0.00 0.00 54.58 54.53 3iyl n ASN 944 Cb 0.00 -0.40 0.03 0.00 -0.53 0.00 0.00 39.78 38.88 3iyl n ASN 944 CO 0.00 0.00 0.00 0.55 1.40 0.00 0.00 177.26 179.21 3iyl n VAL 945 N 1.21 0.07 0.00 3.44 3.14 -1.26 -2.20 118.33 122.73 3iyl n VAL 945 Ca 0.11 -0.53 0.00 0.00 -2.96 0.00 0.00 64.34 60.96 3iyl n VAL 945 Cb 0.01 1.09 0.00 0.00 -1.06 0.00 0.00 33.84 33.87 3iyl n VAL 945 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 3iyl n VAL 946 N 0.33 0.00 -0.91 1.55 0.31 -1.26 -4.16 118.33 114.19 3iyl n VAL 946 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 3iyl n VAL 946 Cb 0.17 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.10 3iyl n VAL 946 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3iyl n ARG 947 N 0.00 -2.57 -2.71 5.55 1.74 -1.26 -5.02 116.66 112.39 3iyl n ARG 947 Ca 0.00 1.93 -0.06 0.00 -0.77 0.00 0.00 57.85 58.95 3iyl n ARG 947 Cb 0.00 -2.23 0.05 0.00 -1.02 0.00 0.00 32.46 29.26 3iyl n ARG 947 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 3iyl n GLU 948 N -1.26 0.44 -2.56 5.56 4.07 -0.25 -4.93 120.64 121.72 3iyl n GLU 948 Ca 0.00 -1.28 -0.41 0.00 -0.06 0.00 0.00 57.16 55.41 3iyl n GLU 948 Cb 0.07 -0.85 -0.03 0.00 -0.06 0.00 0.00 31.44 30.58 3iyl n GLU 948 CO 0.00 0.00 0.00 -3.38 -0.06 0.00 0.00 177.13 173.69 3iyl s HIS 949 N 0.53 2.32 -0.13 4.31 -3.43 -1.26 -3.20 115.29 114.42 3iyl s HIS 949 Ca 0.29 -0.01 -0.30 0.00 -0.80 0.00 0.00 55.06 54.24 3iyl s HIS 949 Cb 0.19 -4.61 -0.08 0.00 -1.43 0.00 0.00 32.58 26.65 3iyl s HIS 949 CO -0.15 -2.02 2.10 1.55 -2.00 0.00 0.00 174.74 174.22 3iyl n VAL 950 N 6.41 0.51 -3.85 -5.38 3.14 -1.26 -4.89 118.33 113.01 3iyl n VAL 950 Ca 0.04 -0.30 -0.26 0.00 -2.96 0.00 0.00 64.34 60.86 3iyl n VAL 950 Cb 0.49 -2.33 -0.03 0.00 -1.06 0.00 0.00 33.84 30.91 3iyl n VAL 950 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 3iyl s PRO 951 N 5.45 3.47 0.43 1.45 0.04 -1.26 -4.51 135.00 140.06 3iyl s PRO 951 Ca 0.97 -0.51 -0.25 0.00 0.04 0.00 0.00 61.00 61.24 3iyl s PRO 951 Cb -0.45 -2.92 -0.09 0.00 0.04 0.00 0.00 34.50 31.08 3iyl s PRO 951 CO 0.41 0.47 1.31 -2.30 0.04 0.00 0.00 177.00 176.93 3iyl n PRO 952 N -0.62 1.98 -1.14 0.56 -0.02 -1.26 -4.87 135.00 129.63 3iyl n PRO 952 Ca -0.06 0.71 -0.29 0.00 -2.02 0.00 0.00 63.50 61.84 3iyl n PRO 952 Cb 0.54 -2.44 0.19 0.00 -0.02 0.00 0.00 33.50 31.77 3iyl n PRO 952 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3iyl s GLY 953 N -0.54 1.56 -0.81 -1.23 0.00 -1.26 -4.87 107.32 100.18 3iyl s GLY 953 Ca 0.61 -0.49 -0.25 0.00 0.00 0.00 0.00 44.72 44.59 3iyl s GLY 953 CO 0.58 0.18 1.78 2.56 0.00 0.00 0.00 173.10 178.20 3iyl s PRO 954 N -5.05 2.78 0.45 2.90 0.04 -1.26 -4.97 135.00 129.90 3iyl s PRO 954 Ca 0.67 -0.12 -0.16 0.00 0.04 0.00 0.00 61.00 61.43 3iyl s PRO 954 Cb -0.17 -4.80 -0.08 0.00 0.04 0.00 0.00 34.50 29.49 3iyl s PRO 954 CO 0.57 -2.89 0.89 -1.54 0.04 0.00 0.00 177.00 174.08 3iyl s SER 955 N 7.21 6.67 0.15 6.66 1.04 -1.26 -5.03 113.70 129.13 3iyl s SER 955 Ca 0.62 1.44 0.27 0.00 0.48 0.00 0.00 55.95 58.76 3iyl s SER 955 Cb -0.08 -2.45 0.89 0.00 0.10 0.00 0.00 66.02 64.48 3iyl s SER 955 CO 0.06 -0.46 1.78 1.41 0.98 0.00 0.00 173.24 177.02 3iyl n HIS 956 N -1.21 0.65 -0.01 5.02 8.25 -1.26 -3.86 115.22 122.80 3iyl n HIS 956 Ca 0.05 0.19 0.09 0.00 -0.26 0.00 0.00 57.72 57.79 3iyl n HIS 956 Cb 0.54 -0.80 -0.15 0.00 1.12 0.00 0.00 29.99 30.70 3iyl n HIS 956 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 3iyl n ILE 957 N -2.04 0.07 0.73 1.59 5.41 -1.26 -3.50 119.36 120.35 3iyl n ILE 957 Ca 0.06 -0.47 0.01 0.00 1.00 0.00 0.00 62.75 63.35 3iyl n ILE 957 Cb 0.41 0.02 0.05 0.00 -0.71 0.00 0.00 39.64 39.40 3iyl n ILE 957 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 176.55 178.12 3iyl n HIS 958 N -2.21 0.00 0.00 1.39 -0.00 -1.25 -2.28 115.22 110.87 3iyl n HIS 958 Ca -0.05 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.13 3iyl n HIS 958 Cb 0.55 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.42 3iyl n HIS 958 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 3iyl n ARG 959 N -0.57 0.00 -0.07 1.57 5.12 -1.25 -4.57 116.66 116.89 3iyl n ARG 959 Ca 0.01 0.00 -0.02 0.00 -1.93 0.00 0.00 57.85 55.91 3iyl n ARG 959 Cb 0.01 -0.01 -0.02 0.00 -1.16 0.00 0.00 32.46 31.28 3iyl n ARG 959 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3iyl n ALA 960 N -1.21 -0.10 -0.05 7.54 0.00 -1.15 0.75 120.51 126.29 3iyl n ALA 960 Ca 0.00 0.14 -0.10 0.00 0.00 0.00 0.00 53.44 53.48 3iyl n ALA 960 Cb 0.00 0.12 -0.04 0.00 0.00 0.00 0.00 19.45 19.53 3iyl n ALA 960 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3iyl h LEU 961 N 0.00 -1.11 -0.60 0.00 5.85 -1.79 0.23 115.31 117.89 3iyl h LEU 961 Ca 0.03 0.17 0.12 0.00 0.84 0.00 0.00 57.88 59.04 3iyl h LEU 961 Cb 0.07 0.49 -0.12 0.00 0.37 0.00 0.00 40.66 41.47 3iyl h LEU 961 CO -0.15 -0.36 -0.20 -0.61 -0.34 0.00 0.00 178.44 176.78 3iyl h GLN 962 N -0.36 -0.05 -0.53 1.25 5.75 -0.04 0.29 115.11 121.43 3iyl h GLN 962 Ca 0.12 0.00 0.09 0.00 -0.15 0.00 0.00 58.65 58.71 3iyl h GLN 962 Cb 0.56 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 29.09 3iyl h GLN 962 CO -0.44 -0.03 0.36 1.96 -2.65 0.00 0.00 178.83 178.03 3iyl h GLN 963 N -0.05 0.35 -0.02 1.69 1.08 0.25 -1.05 115.11 117.36 3iyl h GLN 963 Ca 0.28 -0.02 -0.24 0.00 -1.45 0.00 0.00 58.65 57.22 3iyl h GLN 963 Cb 0.48 -0.08 0.01 0.00 -0.05 0.00 0.00 27.48 27.84 3iyl h GLN 963 CO -0.64 0.23 -0.95 0.28 -0.95 0.00 0.00 178.83 176.81 3iyl h VAL 964 N 0.36 1.33 0.00 -0.54 2.07 0.26 -2.99 116.25 116.74 3iyl h VAL 964 Ca 0.24 -2.28 -0.06 0.00 0.82 0.00 0.00 66.70 65.42 3iyl h VAL 964 Cb 0.48 2.32 -0.01 0.00 -1.52 0.00 0.00 31.29 32.57 3iyl h VAL 964 CO -0.06 0.70 -0.27 -0.33 0.02 0.00 0.00 177.57 177.63 3iyl h GLU 965 N 0.34 0.00 -0.07 1.57 5.08 0.03 1.64 114.58 123.18 3iyl h GLU 965 Ca -0.09 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 3iyl h GLU 965 Cb 1.59 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.83 3iyl h GLU 965 CO 0.18 0.27 -0.02 0.77 -1.00 0.00 0.00 179.01 179.21 3iyl h SER 966 N 0.00 0.13 0.88 1.42 0.02 -1.20 -2.91 113.55 111.89 3iyl h SER 966 Ca -0.00 -0.39 -0.14 0.00 -0.84 0.00 0.00 61.79 60.42 3iyl h SER 966 Cb 0.77 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.26 3iyl h SER 966 CO 0.04 0.49 -0.65 0.00 -1.14 0.00 0.00 176.83 175.57 3iyl h THR 967 N -0.23 1.32 0.78 -2.27 1.03 -1.30 -3.18 112.91 109.07 3iyl h THR 967 Ca 0.02 -2.34 -0.03 0.00 -0.01 0.00 0.00 66.41 64.04 3iyl h THR 967 Cb 0.44 2.31 -0.00 0.00 -1.07 0.00 0.00 68.15 69.83 3iyl h THR 967 CO 0.01 0.63 -0.47 0.15 -0.01 0.00 0.00 175.52 175.83 3iyl h PHE 968 N 0.00 -1.26 -0.80 0.00 3.57 0.24 -1.69 116.94 117.00 3iyl h PHE 968 Ca -0.01 -0.01 0.16 0.00 3.53 0.00 0.00 57.97 61.64 3iyl h PHE 968 Cb 1.26 0.45 -0.15 0.00 2.79 0.00 0.00 35.95 40.30 3iyl h PHE 968 CO 0.00 -0.71 -0.20 -0.12 -2.23 0.00 0.00 178.31 175.05 3iyl n MET 969 N -5.45 -0.07 0.00 1.11 1.56 -1.10 -0.24 117.12 112.93 3iyl n MET 969 Ca -0.14 1.25 -0.11 0.00 -0.27 0.00 0.00 57.70 58.42 3iyl n MET 969 Cb 0.49 -1.86 -0.06 0.00 2.15 0.00 0.00 33.22 33.93 3iyl n MET 969 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 3iyl h ALA 970 N 1.60 0.10 -1.89 -5.12 0.00 -1.44 -3.34 119.26 109.17 3iyl h ALA 970 Ca 0.39 -0.05 -0.64 0.00 0.00 0.00 0.00 54.91 54.61 3iyl h ALA 970 Cb 0.59 -0.03 -0.38 0.00 0.00 0.00 0.00 17.79 17.97 3iyl h ALA 970 CO -0.82 -0.37 -0.26 -1.91 0.00 0.00 0.00 179.25 175.89 3iyl n GLU 971 N -4.99 3.65 0.36 0.00 2.13 0.67 -4.89 120.64 117.56 3iyl n GLU 971 Ca -0.06 -4.69 -0.18 0.00 0.66 0.00 0.00 57.16 52.89 3iyl n GLU 971 Cb 0.07 -2.28 -0.09 0.00 0.27 0.00 0.00 31.44 29.40 3iyl n GLU 971 CO 0.00 0.00 0.00 0.52 -0.41 0.00 0.00 177.13 177.24 3iyl h MET 972 N 3.13 -0.99 -0.50 5.31 2.86 -1.49 -3.03 114.93 120.21 3iyl h MET 972 Ca 0.26 0.07 0.15 0.00 -2.06 0.00 0.00 59.70 58.11 3iyl h MET 972 Cb 0.52 0.22 -0.09 0.00 0.06 0.00 0.00 31.60 32.31 3iyl h MET 972 CO 0.93 -0.66 0.04 0.09 1.06 0.00 0.00 176.91 178.36 3iyl n ASN 973 N -5.56 -0.04 0.00 1.22 3.02 -1.26 0.20 115.26 112.84 3iyl n ASN 973 Ca -0.13 0.86 0.00 0.00 -0.03 0.00 0.00 54.58 55.27 3iyl n ASN 973 Cb 0.45 -0.32 0.00 0.00 -0.61 0.00 0.00 39.78 39.29 3iyl n ASN 973 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3iyl n LEU 974 N -4.54 0.00 -0.06 3.41 4.32 -1.14 -0.23 117.00 118.75 3iyl n LEU 974 Ca 0.13 0.07 0.02 0.00 -0.02 0.00 0.00 56.01 56.21 3iyl n LEU 974 Cb 0.41 -0.07 0.02 0.00 -1.62 0.00 0.00 43.42 42.17 3iyl n LEU 974 CO -0.03 -0.07 0.43 0.49 -1.22 0.00 0.00 177.39 176.98 3iyl n PHE 975 N -1.02 0.00 -2.52 -1.77 3.01 0.54 -3.04 117.46 112.65 3iyl n PHE 975 Ca 0.00 -0.42 -0.07 0.00 1.01 0.00 0.00 57.45 57.97 3iyl n PHE 975 Cb 0.01 -0.06 0.04 0.00 -0.01 0.00 0.00 39.48 39.46 3iyl n PHE 975 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 3iyl n ASN 976 N -0.50 -2.40 -3.05 4.37 3.02 0.68 -5.02 115.26 112.36 3iyl n ASN 976 Ca 0.03 -0.27 -0.15 0.00 -0.03 0.00 0.00 54.58 54.16 3iyl n ASN 976 Cb 0.42 -2.44 0.00 0.00 -0.61 0.00 0.00 39.78 37.16 3iyl n ASN 976 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3iyl n VAL 977 N -2.29 -0.04 -1.23 2.41 0.31 -1.25 -3.36 118.33 112.88 3iyl n VAL 977 Ca -0.10 -3.82 -0.39 0.00 -0.01 0.00 0.00 64.34 60.02 3iyl n VAL 977 Cb 0.57 0.17 0.01 0.00 -0.91 0.00 0.00 33.84 33.68 3iyl n VAL 977 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3iyl n ALA 978 N 0.25 -3.21 -2.39 3.52 0.00 -1.10 -4.41 120.51 113.17 3iyl n ALA 978 Ca 0.20 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.55 3iyl n ALA 978 Cb 0.68 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.74 3iyl n ALA 978 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3iyl n ARG 979 N 1.55 3.08 0.00 0.00 1.85 -1.26 -2.41 116.66 119.47 3iyl n ARG 979 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.92 3iyl n ARG 979 Cb 0.48 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.89 3iyl n ARG 979 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3iyl n GLY 980 N 5.00 0.90 0.35 2.89 0.00 -1.25 -4.75 105.19 108.33 3iyl n GLY 980 Ca 0.00 -0.63 -0.03 0.00 0.00 0.00 0.00 46.02 45.36 3iyl n GLY 980 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3iyl n ASN 981 N -3.57 2.04 -3.99 1.61 3.02 -1.26 -4.52 115.26 108.59 3iyl n ASN 981 Ca 0.00 -1.21 -0.27 0.00 -0.03 0.00 0.00 54.58 53.07 3iyl n ASN 981 Cb 0.00 0.04 -0.17 0.00 -0.61 0.00 0.00 39.78 39.04 3iyl n ASN 981 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3iyl s LEU 982 N 0.00 1.51 0.12 3.41 0.20 -0.83 -3.12 118.68 119.97 3iyl s LEU 982 Ca 0.00 -0.34 -0.05 0.00 0.69 0.00 0.00 54.13 54.43 3iyl s LEU 982 Cb 0.00 -0.91 -0.05 0.00 -0.43 0.00 0.00 46.19 44.79 3iyl s LEU 982 CO 0.00 -0.03 0.36 -0.31 -0.29 0.00 0.00 176.35 176.08 3iyl s TYR 983 N 1.15 3.49 -0.39 5.38 4.12 -0.63 -0.69 117.35 129.77 3iyl s TYR 983 Ca -0.05 0.55 0.01 0.00 0.02 0.00 0.00 57.07 57.60 3iyl s TYR 983 Cb -0.14 -1.99 0.12 0.00 -1.52 0.00 0.00 41.96 38.43 3iyl s TYR 983 CO -0.03 0.46 0.18 -0.51 0.02 0.00 0.00 175.55 175.68 3iyl s LEU 984 N -2.55 2.76 -0.02 -1.29 1.43 0.74 -2.20 118.68 117.55 3iyl s LEU 984 Ca 0.39 -2.29 0.02 0.00 -1.03 0.00 0.00 54.13 51.21 3iyl s LEU 984 Cb -0.12 -1.04 0.00 0.00 0.03 0.00 0.00 46.19 45.06 3iyl s LEU 984 CO 0.24 -0.32 -0.05 0.68 0.23 0.00 0.00 176.35 177.13 3iyl s VAL 985 N 0.77 0.47 -1.24 -1.59 -7.23 -0.68 -1.41 120.40 109.49 3iyl s VAL 985 Ca 0.15 -0.20 -0.20 0.00 -1.81 0.00 0.00 61.98 59.91 3iyl s VAL 985 Cb -0.22 -0.43 0.01 0.00 0.56 0.00 0.00 36.38 36.30 3iyl s VAL 985 CO -0.08 0.16 1.80 -1.58 -0.31 0.00 0.00 175.10 175.08 3iyl s GLN 986 N 0.18 3.45 -0.33 4.82 0.74 -1.26 -4.01 119.66 123.25 3iyl s GLN 986 Ca -0.02 -1.66 -0.17 0.00 0.05 0.00 0.00 55.36 53.56 3iyl s GLN 986 Cb -0.06 -5.43 -0.01 0.00 1.10 0.00 0.00 33.01 28.61 3iyl s GLN 986 CO -0.00 -2.85 0.47 0.99 -0.55 0.00 0.00 175.29 173.34 3iyl s THR 987 N 6.62 5.07 -0.71 -0.34 2.01 -0.81 -4.93 115.64 122.54 3iyl s THR 987 Ca 0.59 0.38 -0.04 0.00 0.31 0.00 0.00 61.69 62.92 3iyl s THR 987 Cb 0.02 -3.89 0.18 0.00 0.01 0.00 0.00 72.50 68.82 3iyl s THR 987 CO 0.09 -0.11 0.56 0.00 -0.69 0.00 0.00 174.62 174.47 3iyl s ALA 988 N 2.27 3.80 0.11 7.40 0.00 -1.26 -1.32 121.76 132.77 3iyl s ALA 988 Ca 0.17 -3.41 0.00 0.00 0.00 0.00 0.00 51.96 48.73 3iyl s ALA 988 Cb -0.16 -2.82 0.00 0.00 0.00 0.00 0.00 23.12 20.14 3iyl s ALA 988 CO 0.12 -2.15 0.00 0.25 0.00 0.00 0.00 175.76 173.98 3iyl n THR 989 N 3.29 0.00 -0.04 0.00 -2.24 -1.13 -4.88 114.28 109.28 3iyl n THR 989 Ca 0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 3iyl n THR 989 Cb 0.39 -1.11 0.00 0.00 -2.10 0.00 0.00 70.33 67.50 3iyl n THR 989 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3iyl n ASN 990 N -1.94 0.00 -2.32 3.42 2.85 -1.26 -2.71 115.26 113.31 3iyl n ASN 990 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 3iyl n ASN 990 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 3iyl n ASN 990 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3iyl n GLY 991 N 0.00 -0.43 3.58 8.20 0.00 -1.26 -4.84 105.19 110.43 3iyl n GLY 991 Ca 0.00 -1.72 -0.29 0.00 0.00 0.00 0.00 46.02 44.01 3iyl n GLY 991 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3iyl s ASN 992 N -1.00 5.22 0.30 1.61 3.04 -1.26 -4.93 114.94 117.91 3iyl s ASN 992 Ca 0.00 -1.62 -0.30 0.00 0.04 0.00 0.00 52.86 50.98 3iyl s ASN 992 Cb 0.00 -2.58 -0.12 0.00 -1.54 0.00 0.00 41.25 37.00 3iyl s ASN 992 CO 0.00 -2.85 1.46 1.87 -3.04 0.00 0.00 177.10 174.54 3iyl n TRP 993 N 13.73 2.52 -3.33 0.43 -0.00 -1.26 -4.96 117.44 124.57 3iyl n TRP 993 Ca 0.44 0.40 -0.26 0.00 -0.00 0.00 0.00 57.50 58.08 3iyl n TRP 993 Cb 0.47 -2.51 -0.09 0.00 -0.00 0.00 0.00 31.31 29.18 3iyl n TRP 993 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 177.69 178.14 3iyl n SER 994 N 1.68 -0.15 -0.24 5.87 2.88 -1.26 -4.60 113.62 117.80 3iyl n SER 994 Ca 0.08 -2.51 0.01 0.00 -1.33 0.00 0.00 58.87 55.12 3iyl n SER 994 Cb 0.35 -0.59 0.08 0.00 -0.75 0.00 0.00 64.21 63.30 3iyl n SER 994 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3iyl h PRO 995 N 5.07 -0.01 0.00 -1.46 0.11 -1.88 -3.33 132.00 130.50 3iyl h PRO 995 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 3iyl h PRO 995 Cb 0.89 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 3iyl h PRO 995 CO 0.41 -0.01 0.00 -1.33 -0.21 0.00 0.00 178.00 176.87 3iyl n MET 996 N -5.47 0.00 -2.36 1.05 2.81 -1.26 -2.68 117.12 109.21 3iyl n MET 996 Ca 0.09 0.00 -0.39 0.00 -1.81 0.00 0.00 57.70 55.59 3iyl n MET 996 Cb 0.37 -0.57 -0.03 0.00 -0.71 0.00 0.00 33.22 32.28 3iyl n MET 996 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3iyl s ALA 997 N -2.39 2.48 -0.23 3.04 0.00 -1.25 -3.83 121.76 119.57 3iyl s ALA 997 Ca 0.00 -1.30 -0.26 0.00 0.00 0.00 0.00 51.96 50.40 3iyl s ALA 997 Cb 0.00 -4.34 -0.00 0.00 0.00 0.00 0.00 23.12 18.78 3iyl s ALA 997 CO 0.00 -3.65 0.90 -1.25 0.00 0.00 0.00 175.76 171.76 3iyl s PRO 998 N 6.13 4.22 0.52 0.00 0.04 -1.25 -4.83 135.00 139.83 3iyl s PRO 998 Ca 0.49 1.09 -0.18 0.00 0.04 0.00 0.00 61.00 62.44 3iyl s PRO 998 Cb -0.08 -3.64 -0.07 0.00 0.04 0.00 0.00 34.50 30.75 3iyl s PRO 998 CO 0.12 -0.55 1.04 0.54 0.04 0.00 0.00 177.00 178.19 3iyl s VAL 999 N 2.92 3.87 0.24 -0.36 0.11 -1.26 -4.88 120.40 121.04 3iyl s VAL 999 Ca 0.38 1.05 0.00 0.00 -2.93 0.00 0.00 61.98 60.48 3iyl s VAL 999 Cb -0.15 -3.45 0.00 0.00 -1.53 0.00 0.00 36.38 31.25 3iyl s VAL 999 CO 0.07 -0.37 0.00 0.00 -3.33 0.00 0.00 175.10 171.47 3iyl n ALA 1000N -1.37 -2.15 -1.77 1.54 0.00 -1.26 -4.87 120.51 110.63 3iyl n ALA 1000Ca 0.09 0.34 -0.38 0.00 0.00 0.00 0.00 53.44 53.48 3iyl n ALA 1000Cb 0.53 -0.79 -0.03 0.00 0.00 0.00 0.00 19.45 19.15 3iyl n ALA 1000CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iyl s ALA 1001N -2.27 3.23 0.27 0.00 0.00 -1.26 -4.99 121.76 116.74 3iyl s ALA 1001Ca 0.00 0.86 -0.30 0.00 0.00 0.00 0.00 51.96 52.53 3iyl s ALA 1001Cb 0.00 -3.33 -0.10 0.00 0.00 0.00 0.00 23.12 19.69 3iyl s ALA 1001CO 0.00 -0.30 1.37 -1.25 0.00 0.00 0.00 175.76 175.59 3iyl s PRO 1002N -2.04 4.32 0.45 0.00 0.04 -1.26 -4.95 135.00 131.55 3iyl s PRO 1002Ca 0.53 2.23 -0.24 0.00 0.04 0.00 0.00 61.00 63.56 3iyl s PRO 1002Cb -0.29 -3.11 -0.07 0.00 0.04 0.00 0.00 34.50 31.07 3iyl s PRO 1002CO 0.36 -0.32 1.26 -1.25 0.04 0.00 0.00 177.00 177.10 3iyl s PRO 1003N -0.80 3.73 -0.04 0.56 0.04 -1.26 -4.40 135.00 132.83 3iyl s PRO 1003Ca 0.55 2.02 -0.04 0.00 0.04 0.00 0.00 61.00 63.58 3iyl s PRO 1003Cb -0.40 -2.53 0.01 0.00 0.04 0.00 0.00 34.50 31.61 3iyl s PRO 1003CO 0.46 -0.64 0.06 1.97 0.04 0.00 0.00 177.00 178.88 3iyl n PHE 1004N -0.32 -0.25 -1.85 0.56 -1.74 -1.26 -5.00 117.46 107.61 3iyl n PHE 1004Ca 0.06 0.10 -0.30 0.00 -0.56 0.00 0.00 57.45 56.76 3iyl n PHE 1004Cb 0.45 -0.98 0.06 0.00 1.52 0.00 0.00 39.48 40.53 3iyl n PHE 1004CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 3iyl s VAL 1005N -0.95 3.27 0.50 1.97 -7.23 -1.26 -4.96 120.40 111.74 3iyl s VAL 1005Ca 0.04 0.41 -0.22 0.00 -1.81 0.00 0.00 61.98 60.39 3iyl s VAL 1005Cb -0.00 -3.38 -0.07 0.00 0.56 0.00 0.00 36.38 33.48 3iyl s VAL 1005CO 0.08 -0.54 1.16 -1.14 -0.31 0.00 0.00 175.10 174.36 3iyl n ARG 1006N -3.09 1.50 -1.58 4.82 3.00 -1.26 -2.14 116.66 117.91 3iyl n ARG 1006Ca 0.07 0.55 -0.15 0.00 -0.00 0.00 0.00 57.85 58.31 3iyl n ARG 1006Cb 0.58 -2.31 -0.06 0.00 0.00 0.00 0.00 32.46 30.67 3iyl n ARG 1006CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3iyl n GLY 1007N 0.99 1.27 3.94 5.14 0.00 -1.26 -5.00 105.19 110.26 3iyl n GLY 1007Ca 0.10 -0.29 -0.26 0.00 0.00 0.00 0.00 46.02 45.57 3iyl n GLY 1007CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3iyl s GLY 1008N -2.76 1.72 0.07 -0.02 0.00 -0.91 -4.97 107.32 100.46 3iyl s GLY 1008Ca 0.00 -1.14 -0.34 0.00 0.00 0.00 0.00 44.72 43.24 3iyl s GLY 1008CO 0.00 -0.64 1.65 -1.05 0.00 0.00 0.00 173.10 173.06 3iyl n PRO 1009N -3.05 2.06 -3.76 2.90 -0.02 -1.26 -2.75 135.00 129.12 3iyl n PRO 1009Ca 0.11 0.75 -0.28 0.00 -2.02 0.00 0.00 63.50 62.06 3iyl n PRO 1009Cb 0.60 -2.52 0.01 0.00 -0.02 0.00 0.00 33.50 31.57 3iyl n PRO 1009CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3iyl n ASN 1010N 4.30 -5.08 -3.24 2.55 6.94 -1.26 -4.96 115.26 114.50 3iyl n ASN 1010Ca 0.19 -0.95 -0.25 0.00 -0.02 0.00 0.00 54.58 53.55 3iyl n ASN 1010Cb 0.28 -2.27 -0.08 0.00 -2.36 0.00 0.00 39.78 35.35 3iyl n ASN 1010CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 3iyl n VAL 1011N -3.27 -0.47 -2.16 3.53 0.31 -1.11 -4.38 118.33 110.78 3iyl n VAL 1011Ca -0.21 -4.05 -0.39 0.00 -0.01 0.00 0.00 64.34 59.67 3iyl n VAL 1011Cb 0.63 -1.94 -0.01 0.00 -0.91 0.00 0.00 33.84 31.61 3iyl n VAL 1011CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3iyl s ARG 1012N -1.14 4.12 0.86 5.55 3.03 -1.13 -4.32 118.95 125.93 3iyl s ARG 1012Ca 0.35 2.06 -0.11 0.00 2.03 0.00 0.00 55.73 60.07 3iyl s ARG 1012Cb 0.15 -2.84 0.16 0.00 -1.03 0.00 0.00 34.95 31.39 3iyl s ARG 1012CO -0.11 -0.33 1.19 0.08 -1.13 0.00 0.00 175.30 175.00 3iyl s VAL 1013N -1.27 2.07 -0.24 4.99 1.01 -1.26 -2.40 120.40 123.30 3iyl s VAL 1013Ca 0.54 -0.18 -0.07 0.00 0.00 0.00 0.00 61.98 62.27 3iyl s VAL 1013Cb -0.36 -2.88 -0.03 0.00 0.00 0.00 0.00 36.38 33.11 3iyl s VAL 1013CO 0.47 0.00 0.06 -0.69 0.00 0.00 0.00 175.10 174.94 3iyl s VAL 1014N -3.60 4.28 0.25 2.92 1.01 -1.08 -2.45 120.40 121.73 3iyl s VAL 1014Ca 0.70 -0.19 -0.31 0.00 0.00 0.00 0.00 61.98 62.18 3iyl s VAL 1014Cb -0.05 -2.99 -0.13 0.00 0.00 0.00 0.00 36.38 33.21 3iyl s VAL 1014CO 0.50 0.36 1.54 0.61 0.00 0.00 0.00 175.10 178.10 3iyl n GLY 1015N 4.75 1.14 0.00 4.51 0.00 -0.98 -4.42 105.19 110.19 3iyl n GLY 1015Ca -0.16 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.37 3iyl n GLY 1015CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iyl n ARG 1016N 2.42 0.00 -0.18 1.61 5.12 -1.26 0.65 116.66 125.02 3iyl n ARG 1016Ca 0.11 0.00 -0.07 0.00 -1.93 0.00 0.00 57.85 55.96 3iyl n ARG 1016Cb 0.34 0.00 0.08 0.00 -1.16 0.00 0.00 32.46 31.72 3iyl n ARG 1016CO 0.00 0.00 0.00 0.74 -1.93 0.00 0.00 177.63 176.44 3iyl h PHE 1017N 0.00 1.05 0.00 -1.55 0.04 -1.94 -3.42 116.94 111.12 3iyl h PHE 1017Ca 0.00 -0.16 0.00 0.00 2.80 0.00 0.00 57.97 60.61 3iyl h PHE 1017Cb 0.00 -0.28 0.00 0.00 2.20 0.00 0.00 35.95 37.87 3iyl h PHE 1017CO 0.00 0.92 0.00 0.41 -0.60 0.00 0.00 178.31 179.04 3iyl n GLY 1018N -0.55 0.50 3.75 -1.45 0.00 0.21 -4.78 105.19 102.87 3iyl n GLY 1018Ca 0.03 -0.21 -0.37 0.00 0.00 0.00 0.00 46.02 45.48 3iyl n GLY 1018CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3iyl s THR 1019N -2.00 2.40 -0.24 2.61 -1.32 -1.26 -4.81 115.64 111.02 3iyl s THR 1019Ca 0.00 0.27 0.01 0.00 -1.21 0.00 0.00 61.69 60.76 3iyl s THR 1019Cb 0.00 -3.12 0.04 0.00 -1.51 0.00 0.00 72.50 67.91 3iyl s THR 1019CO 0.00 -0.03 -0.12 -0.63 -2.21 0.00 0.00 174.62 171.63 3iyl s ILE 1020N -1.46 2.33 -0.11 5.08 1.01 -1.26 -1.31 121.20 125.48 3iyl s ILE 1020Ca 0.75 -1.31 -0.23 0.00 0.00 0.00 0.00 60.65 59.86 3iyl s ILE 1020Cb -0.35 -2.23 -0.03 0.00 0.01 0.00 0.00 42.46 39.86 3iyl s ILE 1020CO 0.39 0.16 0.68 0.68 0.00 0.00 0.00 174.94 176.85 3iyl s VAL 1021N 1.21 5.03 0.49 2.92 -7.23 0.25 -4.93 120.40 118.14 3iyl s VAL 1021Ca -0.03 1.36 -0.18 0.00 -1.81 0.00 0.00 61.98 61.32 3iyl s VAL 1021Cb -0.17 -4.01 -0.09 0.00 0.56 0.00 0.00 36.38 32.67 3iyl s VAL 1021CO -0.07 0.20 0.98 -2.16 -0.31 0.00 0.00 175.10 173.74 3iyl s PRO 1022N 1.20 3.99 0.02 4.82 0.04 -1.26 -1.40 135.00 142.41 3iyl s PRO 1022Ca 0.35 1.05 0.08 0.00 0.04 0.00 0.00 61.00 62.52 3iyl s PRO 1022Cb -0.17 -2.14 -0.02 0.00 0.04 0.00 0.00 34.50 32.21 3iyl s PRO 1022CO 0.15 -0.24 -0.24 1.03 0.04 0.00 0.00 177.00 177.74 3iyl s ARG 1023N -3.72 1.77 0.00 4.56 1.81 -1.26 -4.88 118.95 117.23 3iyl s ARG 1023Ca 0.61 -0.95 0.00 0.00 -1.72 0.00 0.00 55.73 53.67 3iyl s ARG 1023Cb -0.10 -1.82 0.00 0.00 -0.45 0.00 0.00 34.95 32.58 3iyl s ARG 1023CO 0.25 0.48 0.00 -0.35 -0.68 0.00 0.00 175.30 175.00 3iyl n PRO 1024N 2.13 -0.73 0.00 3.54 -0.04 -1.26 -4.21 135.00 134.42 3iyl n PRO 1024Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 3iyl n PRO 1024Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 3iyl n PRO 1024CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3iyl n ASN 1025N -2.00 0.00 -3.61 3.54 3.02 -1.26 -2.32 115.26 112.64 3iyl n ASN 1025Ca 0.00 0.00 -0.21 0.00 -0.03 0.00 0.00 54.58 54.34 3iyl n ASN 1025Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 3iyl n ASN 1025CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3iyl n GLY 1026N 0.00 -1.14 2.94 7.41 0.00 -1.26 -5.03 105.19 108.11 3iyl n GLY 1026Ca 0.00 0.66 -0.12 0.00 0.00 0.00 0.00 46.02 46.56 3iyl n GLY 1026CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iyl s LEU 1027N -4.46 2.10 0.29 0.99 1.43 -0.98 -5.13 118.68 112.92 3iyl s LEU 1027Ca 0.05 -0.21 -0.30 0.00 -1.03 0.00 0.00 54.13 52.64 3iyl s LEU 1027Cb -0.01 -0.03 -0.12 0.00 0.03 0.00 0.00 46.19 46.06 3iyl s LEU 1027CO 0.87 -0.09 1.44 -0.62 0.23 0.00 0.00 176.35 178.17 3iyl n GLU 1028N 2.48 2.30 -2.11 1.70 -0.58 -1.26 -4.40 120.64 118.77 3iyl n GLU 1028Ca -0.17 0.81 -0.43 0.00 -0.42 0.00 0.00 57.16 56.96 3iyl n GLU 1028Cb 0.58 -2.49 -0.03 0.00 -0.57 0.00 0.00 31.44 28.93 3iyl n GLU 1028CO 0.00 0.00 0.00 -2.14 -0.48 0.00 0.00 177.13 174.51 3iyl s PRO 1029N -0.95 4.07 0.23 3.49 0.02 -1.26 -4.48 135.00 136.12 3iyl s PRO 1029Ca 0.62 1.95 -0.30 0.00 0.02 0.00 0.00 61.00 63.30 3iyl s PRO 1029Cb -0.57 -3.96 -0.09 0.00 0.02 0.00 0.00 34.50 29.90 3iyl s PRO 1029CO 0.54 -0.96 1.17 -0.65 -0.33 0.00 0.00 177.00 176.78 3iyl s GLN 1030N 4.14 4.53 -0.42 5.54 1.11 -0.49 -4.25 119.66 129.81 3iyl s GLN 1030Ca 0.70 1.88 -0.16 0.00 0.01 0.00 0.00 55.36 57.79 3iyl s GLN 1030Cb -0.29 -3.21 0.03 0.00 -1.01 0.00 0.00 33.01 28.53 3iyl s GLN 1030CO 0.27 0.00 0.36 -1.17 0.01 0.00 0.00 175.29 174.76 3iyl s LEU 1031N -0.76 5.06 -0.37 2.90 1.98 0.54 -0.58 118.68 127.45 3iyl s LEU 1031Ca 0.50 -0.85 -0.34 0.00 -2.89 0.00 0.00 54.13 50.55 3iyl s LEU 1031Cb -0.33 -2.25 -0.11 0.00 0.66 0.00 0.00 46.19 44.16 3iyl s LEU 1031CO 0.39 -0.52 2.23 -0.38 -1.89 0.00 0.00 176.35 176.18 3iyl n ILE 1032N 5.27 0.18 -1.31 6.68 2.08 -0.43 -1.37 119.36 130.46 3iyl n ILE 1032Ca -0.10 -0.30 -0.27 0.00 0.56 0.00 0.00 62.75 62.64 3iyl n ILE 1032Cb 0.47 -1.76 0.21 0.00 -0.75 0.00 0.00 39.64 37.81 3iyl n ILE 1032CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 3iyl n ASP 1033N 10.47 -1.24 0.28 4.38 3.85 -1.26 -2.31 116.55 130.72 3iyl n ASP 1033Ca 0.41 -1.23 -0.16 0.00 -0.71 0.00 0.00 54.79 53.09 3iyl n ASP 1033Cb 0.26 -0.92 -0.08 0.00 -1.35 0.00 0.00 41.12 39.03 3iyl n ASP 1033CO 0.00 0.00 0.00 -0.78 -1.01 0.00 0.00 177.20 175.41 3iyl h ASP 1034N -2.22 -0.75 0.00 -1.12 -0.00 -1.69 -2.39 116.42 108.26 3iyl h ASP 1034Ca -0.38 0.04 0.00 0.00 -0.00 0.00 0.00 57.03 56.69 3iyl h ASP 1034Cb 1.12 0.22 0.00 0.00 -0.00 0.00 0.00 39.33 40.67 3iyl h ASP 1034CO 0.26 -0.47 0.08 0.61 -0.00 0.00 0.00 179.24 179.72 3iyl n GLY 1035N -1.43 -0.31 1.50 -0.78 0.00 -1.26 -4.55 105.19 98.35 3iyl n GLY 1035Ca -0.11 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.89 3iyl n GLY 1035CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3iyl n ASN 1036N -1.28 -2.27 -3.30 1.61 5.15 -0.93 -5.06 115.26 109.18 3iyl n ASN 1036Ca 0.00 -0.08 -0.17 0.00 -0.60 0.00 0.00 54.58 53.73 3iyl n ASN 1036Cb 0.08 -1.08 -0.07 0.00 -0.53 0.00 0.00 39.78 38.17 3iyl n ASN 1036CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3iyl s VAL 1037N -3.05 -0.29 -0.27 3.44 1.01 -1.26 -4.97 120.40 115.01 3iyl s VAL 1037Ca 0.03 -1.27 -0.26 0.00 0.00 0.00 0.00 61.98 60.48 3iyl s VAL 1037Cb -0.00 -0.68 -0.11 0.00 0.00 0.00 0.00 36.38 35.58 3iyl s VAL 1037CO 0.09 -0.63 0.88 -0.81 0.00 0.00 0.00 175.10 174.63 3iyl n PRO 1038N 3.85 0.00 -4.37 2.72 -0.04 -1.26 -4.03 135.00 131.86 3iyl n PRO 1038Ca 0.15 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.31 3iyl n PRO 1038Cb 0.47 -0.83 -0.04 0.00 -0.04 0.00 0.00 33.50 33.05 3iyl n PRO 1038CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3iyl s ARG 1039N 1.60 2.23 -0.09 0.54 0.52 -0.47 -4.81 118.95 118.46 3iyl s ARG 1039Ca 0.58 -2.24 -0.04 0.00 -0.52 0.00 0.00 55.73 53.51 3iyl s ARG 1039Cb -0.83 -1.78 -0.04 0.00 0.52 0.00 0.00 34.95 32.82 3iyl s ARG 1039CO 0.45 -0.49 0.07 0.16 0.02 0.00 0.00 175.30 175.51 3iyl s ASP 1040N -4.07 5.75 0.41 0.23 -4.77 -1.26 0.20 116.67 113.16 3iyl s ASP 1040Ca 0.18 0.28 0.17 0.00 -3.30 0.00 0.00 52.55 49.87 3iyl s ASP 1040Cb -0.00 -1.73 1.06 0.00 -1.09 0.00 0.00 42.92 41.15 3iyl s ASP 1040CO 0.11 0.38 1.85 0.40 0.70 0.00 0.00 175.17 178.60 3iyl h ILE 1041N 3.97 0.68 -0.79 2.11 2.04 -1.92 -3.37 117.51 120.23 3iyl h ILE 1041Ca -0.52 -0.15 -0.43 0.00 1.00 0.00 0.00 64.86 64.76 3iyl h ILE 1041Cb 1.21 0.20 -0.06 0.00 -0.74 0.00 0.00 36.82 37.43 3iyl h ILE 1041CO 0.57 0.08 1.17 0.00 0.00 0.00 0.00 178.15 179.97 3iyl s ALA 1042N -5.46 2.16 0.00 1.87 0.00 -1.26 -4.68 121.76 114.39 3iyl s ALA 1042Ca -0.08 -1.99 0.00 0.00 0.00 0.00 0.00 51.96 49.88 3iyl s ALA 1042Cb 0.23 -4.58 0.00 0.00 0.00 0.00 0.00 23.12 18.77 3iyl s ALA 1042CO 0.78 -4.41 0.00 0.41 0.00 0.00 0.00 175.76 172.55 3iyl n GLY 1043N 6.49 1.75 2.95 0.00 0.00 -1.15 -4.96 105.19 110.27 3iyl n GLY 1043Ca 0.40 -0.03 -0.30 0.00 0.00 0.00 0.00 46.02 46.09 3iyl n GLY 1043CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3iyl s ASP 1044N 2.00 3.39 0.15 1.61 1.11 -1.26 -2.91 116.67 120.75 3iyl s ASP 1044Ca 0.00 -0.92 0.06 0.00 0.18 0.00 0.00 52.55 51.87 3iyl s ASP 1044Cb 0.00 -1.13 -0.04 0.00 1.07 0.00 0.00 42.92 42.82 3iyl s ASP 1044CO 0.00 -0.18 0.06 0.26 1.18 0.00 0.00 175.17 176.49 3iyl s TRP 1045N 1.46 3.02 -0.31 4.23 0.52 -0.94 -2.82 118.94 124.09 3iyl s TRP 1045Ca -0.02 -0.06 0.03 0.00 0.02 0.00 0.00 56.10 56.08 3iyl s TRP 1045Cb -0.17 -1.47 0.08 0.00 -1.15 0.00 0.00 33.47 30.76 3iyl s TRP 1045CO -0.07 0.51 -0.01 0.08 0.02 0.00 0.00 176.95 177.48 3iyl s VAL 1046N -1.66 2.17 -0.87 4.03 1.01 -1.01 -0.35 120.40 123.72 3iyl s VAL 1046Ca 0.29 -2.02 -0.20 0.00 0.00 0.00 0.00 61.98 60.05 3iyl s VAL 1046Cb -0.10 -2.48 0.12 0.00 0.00 0.00 0.00 36.38 33.92 3iyl s VAL 1046CO 0.21 -0.38 1.09 -0.31 0.00 0.00 0.00 175.10 175.71 3iyl s TYR 1047N 1.01 3.02 -0.47 5.22 1.51 0.13 -2.62 117.35 125.14 3iyl s TYR 1047Ca 0.03 -1.21 -0.30 0.00 -1.01 0.00 0.00 57.07 54.58 3iyl s TYR 1047Cb -0.19 -4.29 -0.10 0.00 -0.11 0.00 0.00 41.96 37.27 3iyl s TYR 1047CO -0.07 -1.53 2.35 -2.30 -1.11 0.00 0.00 175.55 172.89 3iyl n PRO 1048N 6.82 1.06 -0.08 -1.71 -0.02 -1.26 -1.42 135.00 138.39 3iyl n PRO 1048Ca 0.18 0.19 -0.02 0.00 -2.02 0.00 0.00 63.50 61.83 3iyl n PRO 1048Cb 0.48 -2.80 -0.01 0.00 -0.02 0.00 0.00 33.50 31.15 3iyl n PRO 1048CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3iyl n SER 1049N 12.40 -0.19 -0.28 2.55 2.88 -0.74 0.13 113.62 130.37 3iyl n SER 1049Ca 0.41 0.35 0.03 0.00 -1.33 0.00 0.00 58.87 58.33 3iyl n SER 1049Cb 0.35 -0.05 0.11 0.00 -0.75 0.00 0.00 64.21 63.87 3iyl n SER 1049CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 3iyl h ASP 1050N 0.00 -0.69 -0.35 -3.46 5.19 -1.86 0.28 116.42 115.53 3iyl h ASP 1050Ca 0.04 0.24 0.08 0.00 -0.62 0.00 0.00 57.03 56.76 3iyl h ASP 1050Cb 0.09 0.48 -0.08 0.00 0.18 0.00 0.00 39.33 39.99 3iyl h ASP 1050CO -0.19 -0.26 -0.23 0.58 -3.12 0.00 0.00 179.24 176.02 3iyl h VAL 1051N 0.01 0.37 0.00 -1.35 2.07 0.80 0.12 116.25 118.27 3iyl h VAL 1051Ca 0.39 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.91 3iyl h VAL 1051Cb 0.62 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 3iyl h VAL 1051CO -0.81 0.00 0.12 -0.11 0.02 0.00 0.00 177.57 176.79 3iyl n LEU 1052N -5.39 0.47 0.05 2.57 -0.00 0.93 -1.96 117.00 113.67 3iyl n LEU 1052Ca 0.01 0.68 -0.20 0.00 -0.00 0.00 0.00 56.01 56.50 3iyl n LEU 1052Cb 0.30 -0.70 -0.14 0.00 -0.00 0.00 0.00 43.42 42.88 3iyl n LEU 1052CO 0.11 -0.84 -0.51 1.56 -0.00 0.00 0.00 177.39 177.72 3iyl h GLN 1053N 0.00 0.30 -0.87 1.96 4.20 -0.22 -2.93 115.11 117.56 3iyl h GLN 1053Ca 0.00 -0.52 -0.30 0.00 0.06 0.00 0.00 58.65 57.89 3iyl h GLN 1053Cb 0.24 0.19 -0.18 0.00 0.30 0.00 0.00 27.48 28.03 3iyl h GLN 1053CO 0.00 1.19 0.38 1.33 -0.67 0.00 0.00 178.83 181.05 3iyl n VAL 1054N -3.50 2.79 -0.12 -0.54 0.24 -0.83 -2.70 118.33 113.68 3iyl n VAL 1054Ca -0.23 -1.55 0.00 0.00 -2.04 0.00 0.00 64.34 60.53 3iyl n VAL 1054Cb 1.06 -0.45 0.00 0.00 -1.47 0.00 0.00 33.84 32.98 3iyl n VAL 1054CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 3iyl n SER 1055N -0.42 0.00 -0.28 -1.34 2.88 -1.04 -4.94 113.62 108.48 3iyl n SER 1055Ca 0.43 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.97 3iyl n SER 1055Cb 1.39 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 64.88 3iyl n SER 1055CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 3iyl n VAL 1056N 0.00 -0.38 -0.39 2.46 0.31 -1.10 0.11 118.33 119.33 3iyl n VAL 1056Ca 0.00 1.70 0.33 0.00 -0.01 0.00 0.00 64.34 66.36 3iyl n VAL 1056Cb 0.00 -2.25 0.56 0.00 -0.91 0.00 0.00 33.84 31.25 3iyl n VAL 1056CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3iyl n ALA 1057N -3.62 1.13 -0.06 3.52 0.00 -1.26 0.01 120.51 120.23 3iyl n ALA 1057Ca 0.08 0.72 -0.02 0.00 0.00 0.00 0.00 53.44 54.21 3iyl n ALA 1057Cb 0.29 -0.88 -0.01 0.00 0.00 0.00 0.00 19.45 18.86 3iyl n ALA 1057CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3iyl h VAL 1058N 0.00 0.00 -0.73 0.00 2.07 0.38 -3.31 116.25 114.66 3iyl h VAL 1058Ca 0.73 -0.97 0.07 0.00 0.82 0.00 0.00 66.70 67.35 3iyl h VAL 1058Cb 2.36 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 32.04 3iyl h VAL 1058CO -0.38 0.00 -0.43 0.33 0.02 0.00 0.00 177.57 177.10 3iyl n PHE 1059N -4.61 -0.32 0.32 1.57 -0.00 0.10 0.13 117.46 114.65 3iyl n PHE 1059Ca -0.04 0.92 0.18 0.00 -0.00 0.00 0.00 57.45 58.51 3iyl n PHE 1059Cb 0.14 -0.56 1.05 0.00 -0.00 0.00 0.00 39.48 40.12 3iyl n PHE 1059CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.76 176.67 3iyl h ARG 1060N 0.00 0.00 0.00 -4.13 2.43 -1.02 0.38 114.38 112.04 3iyl h ARG 1060Ca 0.12 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 3iyl h ARG 1060Cb 0.30 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 3iyl h ARG 1060CO -0.69 0.00 -0.87 -0.25 -1.51 0.00 0.00 179.97 176.65 3iyl n ASP 1061N -3.52 0.77 0.00 -3.80 8.00 0.35 -4.18 116.55 114.17 3iyl n ASP 1061Ca -0.03 -0.65 0.00 0.00 0.71 0.00 0.00 54.79 54.82 3iyl n ASP 1061Cb 0.08 0.77 0.00 0.00 -0.02 0.00 0.00 41.12 41.94 3iyl n ASP 1061CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3iyl n TYR 1062N -1.57 0.00 0.02 1.24 4.01 -0.73 -4.77 117.16 115.36 3iyl n TYR 1062Ca 0.04 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.63 3iyl n TYR 1062Cb 0.35 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.24 3iyl n TYR 1062CO 0.00 0.00 0.00 -0.39 -0.46 0.00 0.00 176.86 176.01 3iyl h VAL 1063N 0.00 0.91 0.30 -0.72 -1.51 -1.44 -3.32 116.25 110.47 3iyl h VAL 1063Ca 0.00 -2.65 -0.01 0.00 -1.23 0.00 0.00 66.70 62.81 3iyl h VAL 1063Cb 0.19 2.58 0.00 0.00 -2.13 0.00 0.00 31.29 31.94 3iyl h VAL 1063CO 0.00 0.75 -0.14 -0.25 -1.23 0.00 0.00 177.57 176.69 3iyl h TRP 1064N 0.05 -0.37 -0.13 5.19 -0.00 -1.16 0.11 115.95 119.63 3iyl h TRP 1064Ca -0.30 -0.01 0.04 0.00 -0.00 0.00 0.00 58.89 58.62 3iyl h TRP 1064Cb 2.02 0.12 -0.01 0.00 -0.00 0.00 0.00 29.16 31.29 3iyl h TRP 1064CO 0.05 -0.20 0.28 -1.35 -0.00 0.00 0.00 178.44 177.22 3iyl h PRO 1065N -0.44 0.00 0.02 2.65 0.11 -1.74 -0.91 132.00 131.69 3iyl h PRO 1065Ca -0.04 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.03 3iyl h PRO 1065Cb 0.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.45 3iyl h PRO 1065CO 0.07 0.00 -0.18 1.98 -0.21 0.00 0.00 178.00 179.66 3iyl h MET 1066N 0.00 0.09 -0.98 1.05 4.05 -1.18 -3.13 114.93 114.83 3iyl h MET 1066Ca 0.06 -0.12 0.04 0.00 -0.28 0.00 0.00 59.70 59.40 3iyl h MET 1066Cb 0.62 0.04 -0.06 0.00 -0.80 0.00 0.00 31.60 31.40 3iyl h MET 1066CO -0.00 0.96 0.64 0.28 0.23 0.00 0.00 176.91 179.02 3iyl h VAL 1067N -0.72 1.16 -0.43 -5.77 2.07 0.53 -1.94 116.25 111.15 3iyl h VAL 1067Ca -0.03 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 3iyl h VAL 1067Cb 1.03 -0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 3iyl h VAL 1067CO 0.03 0.22 0.22 0.11 0.02 0.00 0.00 177.57 178.18 3iyl h LYS 1068N 1.22 0.62 0.00 1.57 1.57 -1.54 0.65 116.57 120.66 3iyl h LYS 1068Ca 0.40 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 3iyl h LYS 1068Cb 0.03 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.23 3iyl h LYS 1068CO -0.13 0.51 0.07 0.00 -0.57 0.00 0.00 179.45 179.34 3iyl n ALA 1069N -2.28 0.87 -2.61 3.86 0.00 -0.75 -4.78 120.51 114.83 3iyl n ALA 1069Ca 0.01 0.04 -0.07 0.00 0.00 0.00 0.00 53.44 53.42 3iyl n ALA 1069Cb 0.10 -0.93 0.03 0.00 0.00 0.00 0.00 19.45 18.65 3iyl n ALA 1069CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iyl n GLY 1070N -1.40 0.18 0.80 0.00 0.00 0.22 -4.97 105.19 100.03 3iyl n GLY 1070Ca -0.00 -0.27 0.01 0.00 0.00 0.00 0.00 46.02 45.75 3iyl n GLY 1070CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iyl n ARG 1071N -2.18 0.00 -2.72 1.61 1.74 -1.17 -4.98 116.66 108.96 3iyl n ARG 1071Ca -0.09 -1.16 -0.07 0.00 -0.77 0.00 0.00 57.85 55.76 3iyl n ARG 1071Cb 0.56 -0.25 0.08 0.00 -1.02 0.00 0.00 32.46 31.82 3iyl n ARG 1071CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 3iyl n THR 1072N 0.14 0.00 -1.66 0.55 5.66 -1.26 -2.93 114.28 114.78 3iyl n THR 1072Ca 0.00 -1.26 -0.51 0.00 -3.05 0.00 0.00 64.05 59.23 3iyl n THR 1072Cb 0.80 1.38 -0.06 0.00 -1.55 0.00 0.00 70.33 70.91 3iyl n THR 1072CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3iyl n ARG 1073N 1.02 1.66 -5.06 1.09 1.74 -1.15 -4.57 116.66 111.39 3iyl n ARG 1073Ca 0.05 0.61 -0.29 0.00 -0.77 0.00 0.00 57.85 57.44 3iyl n ARG 1073Cb 0.68 -2.34 -0.15 0.00 -1.02 0.00 0.00 32.46 29.63 3iyl n ARG 1073CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3iyl s VAL 1074N 2.31 1.93 -0.36 1.55 -7.23 -0.50 -2.22 120.40 115.88 3iyl s VAL 1074Ca 0.89 -1.14 -0.09 0.00 -1.81 0.00 0.00 61.98 59.83 3iyl s VAL 1074Cb -0.85 -1.62 0.04 0.00 0.56 0.00 0.00 36.38 34.51 3iyl s VAL 1074CO 0.51 0.45 0.17 -0.22 -0.31 0.00 0.00 175.10 175.70 3iyl s LEU 1075N -0.81 4.60 -0.28 1.32 0.20 0.53 -0.19 118.68 124.06 3iyl s LEU 1075Ca 0.10 -1.11 -0.26 0.00 0.69 0.00 0.00 54.13 53.55 3iyl s LEU 1075Cb -0.09 -1.96 0.01 0.00 -0.43 0.00 0.00 46.19 43.71 3iyl s LEU 1075CO 0.00 -0.38 0.93 -0.69 -0.29 0.00 0.00 176.35 175.93 3iyl s VAL 1076N 1.48 4.70 -0.82 1.68 1.01 0.13 0.18 120.40 128.75 3iyl s VAL 1076Ca 0.01 1.62 -0.14 0.00 0.00 0.00 0.00 61.98 63.46 3iyl s VAL 1076Cb -0.20 -4.25 0.22 0.00 0.00 0.00 0.00 36.38 32.15 3iyl s VAL 1076CO 0.05 -0.26 0.76 -0.70 0.00 0.00 0.00 175.10 174.95 3iyl s GLU 1077N 3.18 3.60 -0.11 2.72 2.12 -0.50 -1.97 118.70 127.73 3iyl s GLU 1077Ca 0.39 -2.46 0.03 0.00 0.36 0.00 0.00 54.97 53.30 3iyl s GLU 1077Cb -0.14 -4.43 0.00 0.00 0.26 0.00 0.00 34.13 29.83 3iyl s GLU 1077CO 0.11 -1.29 -0.23 -0.48 -0.54 0.00 0.00 175.26 172.83 3iyl s LEU 1078N 0.18 2.06 0.00 2.70 2.34 -1.26 -1.79 118.68 122.90 3iyl s LEU 1078Ca 0.18 -0.55 0.00 0.00 0.06 0.00 0.00 54.13 53.82 3iyl s LEU 1078Cb -0.10 -1.37 0.00 0.00 -0.56 0.00 0.00 46.19 44.15 3iyl s LEU 1078CO -0.09 0.13 0.41 0.61 -1.06 0.00 0.00 176.35 176.35 3iyl n GLY 1079N 3.68 -3.03 2.79 -3.48 0.00 -1.26 -4.47 105.19 99.42 3iyl n GLY 1079Ca -0.19 0.61 -0.25 0.00 0.00 0.00 0.00 46.02 46.18 3iyl n GLY 1079CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3iyl s HIS 1080N -0.82 1.00 0.41 1.61 3.76 -1.26 -3.75 115.29 116.24 3iyl s HIS 1080Ca 0.00 -0.55 0.08 0.00 -0.15 0.00 0.00 55.06 54.43 3iyl s HIS 1080Cb 0.00 -0.98 -0.03 0.00 1.11 0.00 0.00 32.58 32.67 3iyl s HIS 1080CO 0.00 -0.47 0.29 1.52 -0.85 0.00 0.00 174.74 175.23 3iyl s TYR 1081N 1.87 2.68 0.23 1.40 -0.85 -1.01 -4.99 117.35 116.67 3iyl s TYR 1081Ca 0.03 -0.51 -0.16 0.00 -0.52 0.00 0.00 57.07 55.91 3iyl s TYR 1081Cb -0.14 -2.05 -0.08 0.00 0.38 0.00 0.00 41.96 40.07 3iyl s TYR 1081CO -0.07 0.03 0.66 0.08 -1.52 0.00 0.00 175.55 174.73 3iyl s VAL 1082N -2.51 4.72 -0.18 -3.49 1.01 -1.26 -2.72 120.40 115.97 3iyl s VAL 1082Ca 0.45 0.96 -0.02 0.00 0.00 0.00 0.00 61.98 63.37 3iyl s VAL 1082Cb -0.01 -3.73 0.05 0.00 0.00 0.00 0.00 36.38 32.70 3iyl s VAL 1082CO 0.26 0.07 0.02 -0.72 0.00 0.00 0.00 175.10 174.72 3iyl s TYR 1083N -1.67 1.12 0.09 5.22 1.13 -1.21 -1.75 117.35 120.28 3iyl s TYR 1083Ca 0.45 -0.85 -0.27 0.00 -1.41 0.00 0.00 57.07 55.00 3iyl s TYR 1083Cb -0.14 -1.06 -0.06 0.00 -1.10 0.00 0.00 41.96 39.60 3iyl s TYR 1083CO 0.20 -0.59 0.83 0.99 -2.51 0.00 0.00 175.55 174.47 3iyl s THR 1084N 1.82 4.57 0.33 -3.49 2.01 -0.43 -4.84 115.64 115.62 3iyl s THR 1084Ca -0.00 1.78 0.07 0.00 0.31 0.00 0.00 61.69 63.85 3iyl s THR 1084Cb -0.16 -4.18 -0.02 0.00 0.01 0.00 0.00 72.50 68.14 3iyl s THR 1084CO -0.07 0.39 0.37 -0.76 -0.69 0.00 0.00 174.62 173.85 3iyl s LEU 1085N -0.31 3.77 -0.31 4.42 1.43 -1.10 -0.40 118.68 126.18 3iyl s LEU 1085Ca 0.40 -0.35 0.03 0.00 -1.03 0.00 0.00 54.13 53.18 3iyl s LEU 1085Cb -0.22 -2.46 0.17 0.00 0.03 0.00 0.00 46.19 43.71 3iyl s LEU 1085CO 0.26 -0.38 0.46 -2.28 0.23 0.00 0.00 176.35 174.64 3iyl s HIS 1086N -2.24 -1.17 -0.19 0.29 5.65 -0.72 -4.38 115.29 112.54 3iyl s HIS 1086Ca 0.42 0.33 -0.29 0.00 0.25 0.00 0.00 55.06 55.78 3iyl s HIS 1086Cb -0.07 -0.05 0.00 0.00 -1.18 0.00 0.00 32.58 31.28 3iyl s HIS 1086CO 0.29 -1.02 1.03 0.71 -0.65 0.00 0.00 174.74 175.09 3iyl s TYR 1087N 2.41 3.40 0.50 3.88 1.51 -1.24 -0.44 117.35 127.36 3iyl s TYR 1087Ca 0.11 1.51 0.05 0.00 -1.01 0.00 0.00 57.07 57.73 3iyl s TYR 1087Cb -0.11 -3.24 0.05 0.00 -0.11 0.00 0.00 41.96 38.55 3iyl s TYR 1087CO -0.24 -0.39 0.41 2.48 -1.11 0.00 0.00 175.55 176.69 3iyl n TYR 1088N 5.87 -0.87 -3.71 2.71 0.18 -0.37 -4.81 117.16 116.16 3iyl n TYR 1088Ca 0.11 -2.07 -0.38 0.00 1.88 0.00 0.00 57.90 57.43 3iyl n TYR 1088Cb 0.47 -0.41 -0.12 0.00 -0.38 0.00 0.00 39.34 38.90 3iyl n TYR 1088CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 3iyl s ASP 1089N -3.94 5.40 0.63 9.48 2.15 -1.26 0.07 116.67 129.20 3iyl s ASP 1089Ca 0.31 -1.35 0.24 0.00 0.43 0.00 0.00 52.55 52.18 3iyl s ASP 1089Cb -0.02 -1.90 1.15 0.00 -0.30 0.00 0.00 42.92 41.85 3iyl s ASP 1089CO 0.20 -0.41 1.63 1.55 -0.17 0.00 0.00 175.17 177.96 3iyl h PRO 1090N 8.25 0.00 0.00 4.34 0.13 -1.93 -2.29 132.00 140.50 3iyl h PRO 1090Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 3iyl h PRO 1090Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 3iyl h PRO 1090CO 0.66 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.47 3iyl n GLN 1091N -3.15 0.00 -1.21 0.86 1.13 -1.26 -2.19 117.38 111.55 3iyl n GLN 1091Ca 0.07 0.48 -0.32 0.00 -1.94 0.00 0.00 57.00 55.29 3iyl n GLN 1091Cb 0.81 -1.45 0.11 0.00 0.11 0.00 0.00 30.24 29.82 3iyl n GLN 1091CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3iyl s ILE 1092N -2.79 2.76 0.44 5.09 1.01 -0.86 -2.66 121.20 124.19 3iyl s ILE 1092Ca 0.00 0.29 -0.13 0.00 0.00 0.00 0.00 60.65 60.81 3iyl s ILE 1092Cb 0.00 -2.66 -0.07 0.00 0.01 0.00 0.00 42.46 39.74 3iyl s ILE 1092CO 0.00 -0.28 0.85 -0.94 0.00 0.00 0.00 174.94 174.56 3iyl s SER 1093N -2.80 6.57 -0.15 3.58 1.04 -1.26 -4.45 113.70 116.23 3iyl s SER 1093Ca 0.66 1.29 -0.28 0.00 0.48 0.00 0.00 55.95 58.10 3iyl s SER 1093Cb -0.22 -2.39 0.08 0.00 0.10 0.00 0.00 66.02 63.59 3iyl s SER 1093CO 0.52 -0.46 0.74 -0.22 0.98 0.00 0.00 173.24 174.80 3iyl s LEU 1094N -3.90 -0.66 -0.31 2.42 0.20 -1.26 -5.06 118.68 110.11 3iyl s LEU 1094Ca 0.54 0.97 0.01 0.00 0.69 0.00 0.00 54.13 56.34 3iyl s LEU 1094Cb -0.10 2.43 0.09 0.00 -0.43 0.00 0.00 46.19 48.18 3iyl s LEU 1094CO 0.31 -0.43 0.06 -0.62 -0.29 0.00 0.00 176.35 175.37 3iyl s ASP 1095N -0.54 4.30 0.00 3.68 2.15 -1.26 -2.78 116.67 122.22 3iyl s ASP 1095Ca -0.06 -1.79 0.00 0.00 0.43 0.00 0.00 52.55 51.14 3iyl s ASP 1095Cb -0.02 -1.21 0.00 0.00 -0.30 0.00 0.00 42.92 41.39 3iyl s ASP 1095CO 0.05 -0.38 0.00 1.21 -0.17 0.00 0.00 175.17 175.88 3iyl n GLU 1096N 4.59 0.00 -0.02 4.34 2.13 -0.40 -3.85 120.64 127.42 3iyl n GLU 1096Ca -0.01 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.69 3iyl n GLU 1096Cb 0.42 -0.99 -0.08 0.00 0.27 0.00 0.00 31.44 31.06 3iyl n GLU 1096CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3iyl h ALA 1097N 0.65 0.08 0.00 4.31 0.00 -1.95 -3.30 119.26 119.04 3iyl h ALA 1097Ca 0.00 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 3iyl h ALA 1097Cb 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3iyl h ALA 1097CO 0.00 -0.18 -0.26 -1.35 0.00 0.00 0.00 179.25 177.45 3iyl h PRO 1098N -0.27 0.00 -0.34 0.00 0.11 -1.99 0.69 132.00 130.20 3iyl h PRO 1098Ca 0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.12 3iyl h PRO 1098Cb 0.46 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.57 3iyl h PRO 1098CO 0.01 0.26 0.00 -0.89 -0.21 0.00 0.00 178.00 177.17 3iyl n ILE 1099N -3.58 0.05 0.00 4.15 5.41 -1.24 -2.26 119.36 121.88 3iyl n ILE 1099Ca -0.01 -0.04 0.00 0.00 1.00 0.00 0.00 62.75 63.71 3iyl n ILE 1099Cb 0.40 -0.15 0.00 0.00 -0.71 0.00 0.00 39.64 39.18 3iyl n ILE 1099CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 3iyl n LEU 1100N -0.28 0.64 -0.05 1.39 -0.00 -0.82 -4.50 117.00 113.37 3iyl n LEU 1100Ca 0.01 0.00 0.05 0.00 -0.00 0.00 0.00 56.01 56.07 3iyl n LEU 1100Cb 0.11 0.00 0.41 0.00 -0.00 0.00 0.00 43.42 43.93 3iyl n LEU 1100CO 0.01 -0.02 1.18 -0.33 -0.00 0.00 0.00 177.39 178.23 3iyl h GLU 1101N 0.00 0.59 -0.24 1.96 5.08 -0.88 -0.27 114.58 120.81 3iyl h GLU 1101Ca 0.00 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.23 3iyl h GLU 1101Cb 0.63 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 3iyl h GLU 1101CO 0.00 0.39 -0.21 1.49 -1.00 0.00 0.00 179.01 179.68 3iyl h GLU 1102N 0.61 0.57 -0.78 2.33 4.81 -1.71 -2.23 114.58 118.18 3iyl h GLU 1102Ca 0.20 -0.29 0.05 0.00 -0.13 0.00 0.00 59.36 59.19 3iyl h GLU 1102Cb 0.05 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.38 3iyl h GLU 1102CO -0.05 0.88 0.51 2.35 -0.73 0.00 0.00 179.01 181.97 3iyl h TRP 1103N 0.28 0.88 -0.60 0.92 7.01 -1.49 -1.37 115.95 121.59 3iyl h TRP 1103Ca 0.04 0.02 -0.08 0.00 2.11 0.00 0.00 58.89 60.99 3iyl h TRP 1103Cb 0.75 -0.29 -0.02 0.00 -2.10 0.00 0.00 29.16 27.50 3iyl h TRP 1103CO 0.07 0.49 0.08 -0.07 -2.79 0.00 0.00 178.44 176.22 3iyl h LEU 1104N 0.89 0.97 -0.38 0.65 3.38 -0.88 -2.66 115.31 117.27 3iyl h LEU 1104Ca 0.32 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3iyl h LEU 1104Cb 0.15 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.65 3iyl h LEU 1104CO -0.11 0.99 0.00 -1.54 0.09 0.00 0.00 178.44 177.88 3iyl n SER 1105N -4.28 0.27 -0.74 -0.43 3.41 -0.53 -2.34 113.62 108.99 3iyl n SER 1105Ca 0.03 -1.41 0.05 0.00 -0.26 0.00 0.00 58.87 57.28 3iyl n SER 1105Cb 0.29 -0.14 0.10 0.00 -0.26 0.00 0.00 64.21 64.20 3iyl n SER 1105CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3iyl n LYS 1106N -0.25 0.73 -3.81 4.33 4.01 -1.00 -5.00 118.16 117.17 3iyl n LYS 1106Ca 0.00 -2.30 -0.36 0.00 -0.51 0.00 0.00 58.31 55.13 3iyl n LYS 1106Cb 0.07 -0.89 -0.13 0.00 -0.51 0.00 0.00 35.03 33.57 3iyl n LYS 1106CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 3iyl s ILE 1107N -1.55 3.41 0.58 -0.18 1.01 -0.99 -3.90 121.20 119.59 3iyl s ILE 1107Ca 0.28 -1.39 0.04 0.00 0.00 0.00 0.00 60.65 59.58 3iyl s ILE 1107Cb 0.28 -3.01 0.07 0.00 0.01 0.00 0.00 42.46 39.81 3iyl s ILE 1107CO -0.07 -0.24 0.81 0.20 0.00 0.00 0.00 174.94 175.64 3iyl s ASN 1108N 1.45 5.02 0.00 3.58 0.01 -1.04 -4.84 114.94 119.11 3iyl s ASN 1108Ca -0.01 -0.41 0.16 0.00 -0.71 0.00 0.00 52.86 51.89 3iyl s ASN 1108Cb -0.20 -0.26 0.84 0.00 0.41 0.00 0.00 41.25 42.03 3iyl s ASN 1108CO 0.00 -1.35 1.46 -2.65 -1.51 0.00 0.00 177.10 173.06 3iyl n PRO 1109N -2.38 0.27 0.00 -0.60 -0.02 -1.10 -3.56 135.00 127.62 3iyl n PRO 1109Ca 0.12 0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 3iyl n PRO 1109Cb 0.60 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.58 3iyl n PRO 1109CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3iyl n ALA 1110N -1.25 0.00 -2.96 3.55 0.00 -1.26 -4.83 120.51 113.77 3iyl n ALA 1110Ca 0.08 -0.09 -0.09 0.00 0.00 0.00 0.00 53.44 53.34 3iyl n ALA 1110Cb 0.12 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.46 3iyl n ALA 1110CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3iyl s GLY 1111N -2.06 0.27 -0.06 0.00 0.00 -1.23 -4.65 107.32 99.59 3iyl s GLY 1111Ca 0.00 -0.61 -0.01 0.00 0.00 0.00 0.00 44.72 44.10 3iyl s GLY 1111CO 0.00 -0.68 0.01 -0.26 0.00 0.00 0.00 173.10 172.17 3iyl s ILE 1112N -1.49 4.35 0.56 0.90 -4.36 -1.24 -2.49 121.20 117.43 3iyl s ILE 1112Ca -0.15 -0.34 -0.18 0.00 -0.26 0.00 0.00 60.65 59.72 3iyl s ILE 1112Cb -0.10 -2.88 -0.05 0.00 1.25 0.00 0.00 42.46 40.68 3iyl s ILE 1112CO -0.01 0.52 1.08 -2.84 0.24 0.00 0.00 174.94 173.93 3iyl s PRO 1113N -1.14 3.41 -0.28 0.37 0.02 -1.25 -2.45 135.00 133.68 3iyl s PRO 1113Ca 0.16 1.37 -0.35 0.00 0.02 0.00 0.00 61.00 62.20 3iyl s PRO 1113Cb -0.11 -2.03 -0.12 0.00 0.02 0.00 0.00 34.50 32.25 3iyl s PRO 1113CO 0.05 -0.76 2.06 -0.35 -0.33 0.00 0.00 177.00 177.67 3iyl n PRO 1114N -1.58 1.38 -1.42 5.54 -0.04 -1.26 -4.77 135.00 132.84 3iyl n PRO 1114Ca 0.10 0.43 -0.57 0.00 -0.04 0.00 0.00 63.50 63.42 3iyl n PRO 1114Cb 0.52 -2.49 -0.09 0.00 -0.04 0.00 0.00 33.50 31.40 3iyl n PRO 1114CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3iyl n VAL 1115N 6.39 0.00 -3.59 0.52 0.31 -0.71 -3.90 118.33 117.35 3iyl n VAL 1115Ca 0.34 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 64.31 3iyl n VAL 1115Cb 0.24 -0.43 -0.07 0.00 -0.91 0.00 0.00 33.84 32.67 3iyl n VAL 1115CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3iyl s PRO 1116N 3.17 4.20 -0.17 5.55 0.04 -1.26 -1.31 135.00 145.22 3iyl s PRO 1116Ca 0.94 0.04 -0.00 0.00 0.04 0.00 0.00 61.00 62.01 3iyl s PRO 1116Cb -1.30 -3.41 0.00 0.00 0.04 0.00 0.00 34.50 29.84 3iyl s PRO 1116CO 0.68 0.29 -0.15 -0.06 0.04 0.00 0.00 177.00 177.80 3iyl s PHE 1117N 0.33 2.80 0.34 0.56 0.40 0.46 -4.91 117.98 117.96 3iyl s PHE 1117Ca 0.15 -1.18 -0.26 0.00 -0.60 0.00 0.00 56.93 55.04 3iyl s PHE 1117Cb -0.13 -1.92 -0.10 0.00 0.51 0.00 0.00 43.02 41.38 3iyl s PHE 1117CO 0.03 -0.57 0.97 0.00 0.70 0.00 0.00 175.22 176.35 3iyl s ILE 1119N -1.63 -0.15 0.34 0.00 1.01 0.41 -4.60 121.20 116.59 3iyl s ILE 1119Ca 0.52 0.23 -0.29 0.00 0.00 0.00 0.00 60.65 61.11 3iyl s ILE 1119Cb -0.19 -0.32 -0.11 0.00 0.01 0.00 0.00 42.46 41.85 3iyl s ILE 1119CO 0.25 0.09 1.49 -2.16 0.00 0.00 0.00 174.94 174.61 3iyl s PRO 1120N 1.64 4.15 -0.12 2.79 0.04 -1.26 -1.23 135.00 141.00 3iyl s PRO 1120Ca -0.05 2.52 -0.30 0.00 0.04 0.00 0.00 61.00 63.21 3iyl s PRO 1120Cb -0.11 -3.00 -0.02 0.00 0.04 0.00 0.00 34.50 31.40 3iyl s PRO 1120CO -0.07 -0.51 1.26 0.42 0.04 0.00 0.00 177.00 178.13 3iyl s ILE 1121N -0.77 4.23 -0.12 0.56 1.01 0.11 -4.79 121.20 121.44 3iyl s ILE 1121Ca 0.55 1.52 -0.30 0.00 0.00 0.00 0.00 60.65 62.42 3iyl s ILE 1121Cb -0.46 -3.98 -0.08 0.00 0.01 0.00 0.00 42.46 37.95 3iyl s ILE 1121CO 0.57 -0.08 2.08 -0.81 0.00 0.00 0.00 174.94 176.70 3iyl n PRO 1122N 6.08 2.25 -1.73 2.79 -0.04 -1.26 -4.67 135.00 138.42 3iyl n PRO 1122Ca 0.13 0.74 -0.30 0.00 -0.04 0.00 0.00 63.50 64.03 3iyl n PRO 1122Cb 0.45 -3.01 0.08 0.00 -0.04 0.00 0.00 33.50 30.98 3iyl n PRO 1122CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3iyl s GLN 1123N 5.34 2.18 -0.19 0.54 -1.52 -1.26 -4.65 119.66 120.10 3iyl s GLN 1123Ca 0.96 0.42 -0.12 0.00 -1.95 0.00 0.00 55.36 54.67 3iyl s GLN 1123Cb -0.46 -1.95 -0.20 0.00 -0.22 0.00 0.00 33.01 30.17 3iyl s GLN 1123CO 0.41 -1.50 0.13 1.33 -0.25 0.00 0.00 175.29 175.41 3iyl n VAL 1124N -3.32 1.62 -2.60 1.09 0.24 -1.26 -0.70 118.33 113.40 3iyl n VAL 1124Ca 0.07 -0.37 -0.22 0.00 -2.04 0.00 0.00 64.34 61.78 3iyl n VAL 1124Cb 0.58 -1.84 0.12 0.00 -1.47 0.00 0.00 33.84 31.23 3iyl n VAL 1124CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3iyl n TYR 1125N -3.93 -2.95 -2.98 6.34 0.18 -1.26 -2.22 117.16 110.34 3iyl n TYR 1125Ca -0.37 -1.70 -0.44 0.00 1.88 0.00 0.00 57.90 57.27 3iyl n TYR 1125Cb 0.88 -0.70 0.00 0.00 -0.38 0.00 0.00 39.34 39.14 3iyl n TYR 1125CO 0.00 0.00 0.00 -0.35 -2.08 0.00 0.00 176.86 174.43 3iyl n PRO 1126N -2.79 3.73 -1.78 -3.48 -0.04 -1.26 -3.29 135.00 126.09 3iyl n PRO 1126Ca 0.16 -4.15 -0.33 0.00 -0.04 0.00 0.00 63.50 59.13 3iyl n PRO 1126Cb 0.57 -2.74 0.05 0.00 -0.04 0.00 0.00 33.50 31.34 3iyl n PRO 1126CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3iyl s ILE 1128N -2.22 4.70 0.01 0.00 -4.36 -1.26 -5.03 121.20 113.04 3iyl s ILE 1128Ca 0.69 1.76 0.05 0.00 -0.26 0.00 0.00 60.65 62.88 3iyl s ILE 1128Cb -0.22 -4.17 -0.03 0.00 1.25 0.00 0.00 42.46 39.28 3iyl s ILE 1128CO 0.40 0.33 -0.12 -0.89 0.24 0.00 0.00 174.94 174.90 3iyl s THR 1129N 0.08 3.22 -0.16 8.37 2.01 -1.26 -4.58 115.64 123.32 3iyl s THR 1129Ca 0.41 -0.91 -0.25 0.00 0.31 0.00 0.00 61.69 61.26 3iyl s THR 1129Cb -0.21 -2.36 -0.02 0.00 0.01 0.00 0.00 72.50 69.92 3iyl s THR 1129CO 0.25 0.41 0.80 0.00 -0.69 0.00 0.00 174.62 175.39 3iyl s ALA 1130N -0.92 3.49 -0.70 7.40 0.00 -0.93 -4.97 121.76 125.14 3iyl s ALA 1130Ca 0.15 0.03 -0.28 0.00 0.00 0.00 0.00 51.96 51.86 3iyl s ALA 1130Cb -0.11 -3.18 -0.13 0.00 0.00 0.00 0.00 23.12 19.70 3iyl s ALA 1130CO 0.05 -0.57 2.53 0.54 0.00 0.00 0.00 175.76 178.31 3iyl n ARG 1131N 5.01 0.62 -3.14 0.00 1.74 -1.26 -4.68 116.66 114.95 3iyl n ARG 1131Ca 0.03 -0.02 -0.28 0.00 -0.77 0.00 0.00 57.85 56.81 3iyl n ARG 1131Cb 0.49 -2.68 -0.03 0.00 -1.02 0.00 0.00 32.46 29.23 3iyl n ARG 1131CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3iyl s ARG 1132N 8.57 3.64 -0.21 5.56 0.52 -1.10 -4.72 118.95 131.20 3iyl s ARG 1132Ca 1.13 0.10 -0.03 0.00 -0.52 0.00 0.00 55.73 56.40 3iyl s ARG 1132Cb -0.60 -2.56 -0.01 0.00 0.52 0.00 0.00 34.95 32.31 3iyl s ARG 1132CO 0.35 0.10 -0.05 0.08 0.02 0.00 0.00 175.30 175.79 3iyl s VAL 1133N -2.26 3.33 0.29 3.52 1.01 -1.12 -2.84 120.40 122.34 3iyl s VAL 1133Ca 0.46 -0.51 0.10 0.00 0.00 0.00 0.00 61.98 62.02 3iyl s VAL 1133Cb -0.10 -2.51 -0.05 0.00 0.00 0.00 0.00 36.38 33.72 3iyl s VAL 1133CO 0.33 0.43 -0.02 -1.00 0.00 0.00 0.00 175.10 174.85 3iyl s HIS 1134N 1.37 2.61 0.00 5.22 3.76 -0.43 -1.28 115.29 126.54 3iyl s HIS 1134Ca 0.04 -0.30 0.00 0.00 -0.15 0.00 0.00 55.06 54.66 3iyl s HIS 1134Cb -0.14 -1.27 0.00 0.00 1.11 0.00 0.00 32.58 32.28 3iyl s HIS 1134CO -0.03 0.58 0.00 0.66 -0.85 0.00 0.00 174.74 175.10 3iyl n TYR 1135N -0.89 0.00 -2.84 1.40 4.02 -1.26 -1.93 117.16 115.67 3iyl n TYR 1135Ca -0.05 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.42 3iyl n TYR 1135Cb 0.60 0.19 -0.04 0.00 -0.02 0.00 0.00 39.34 40.07 3iyl n TYR 1135CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3iyl s ALA 1136N -1.71 3.26 -0.30 -0.72 0.00 -1.26 -1.68 121.76 119.35 3iyl s ALA 1136Ca 0.00 0.36 -0.12 0.00 0.00 0.00 0.00 51.96 52.19 3iyl s ALA 1136Cb 0.00 -3.20 0.14 0.00 0.00 0.00 0.00 23.12 20.05 3iyl s ALA 1136CO 0.00 -0.24 0.76 -0.59 0.00 0.00 0.00 175.76 175.70 3iyl s PHE 1137N 1.07 -1.11 0.49 0.00 -0.12 -0.94 -4.79 117.98 112.59 3iyl s PHE 1137Ca 0.46 1.95 -0.20 0.00 -0.05 0.00 0.00 56.93 59.09 3iyl s PHE 1137Cb -0.19 0.66 -0.08 0.00 -0.63 0.00 0.00 43.02 42.78 3iyl s PHE 1137CO 0.23 -0.55 1.05 -0.08 -0.05 0.00 0.00 175.22 175.83 3iyl s THR 1138N 2.58 3.68 -0.13 -4.49 -1.32 -1.09 -1.61 115.64 113.26 3iyl s THR 1138Ca -0.06 1.06 -0.26 0.00 -1.21 0.00 0.00 61.69 61.22 3iyl s THR 1138Cb -0.09 -3.43 -0.23 0.00 -1.51 0.00 0.00 72.50 67.23 3iyl s THR 1138CO -0.18 -0.21 0.74 0.77 -2.21 0.00 0.00 174.62 173.52 3iyl h SER 1139N 1.54 -0.00 -4.08 8.08 4.64 -1.86 -3.41 113.55 118.45 3iyl h SER 1139Ca -0.50 -0.87 -0.51 0.00 -0.47 0.00 0.00 61.79 59.45 3iyl h SER 1139Cb 1.23 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 63.40 3iyl h SER 1139CO 0.59 0.91 0.45 -0.70 -0.87 0.00 0.00 176.83 177.20 3iyl s GLU 1140N -2.32 3.32 -1.00 4.77 -6.30 -1.26 -4.74 118.70 111.17 3iyl s GLU 1140Ca -0.17 1.67 -0.23 0.00 -2.50 0.00 0.00 54.97 53.74 3iyl s GLU 1140Cb -0.02 -2.03 0.01 0.00 0.00 0.00 0.00 34.13 32.09 3iyl s GLU 1140CO 0.63 -0.89 1.66 1.21 0.02 0.00 0.00 175.26 177.89 3iyl s ASN 1141N -1.70 5.99 -0.18 -1.70 2.47 -1.26 -4.70 114.94 113.86 3iyl s ASN 1141Ca 0.73 -1.26 0.11 0.00 0.42 0.00 0.00 52.86 52.86 3iyl s ASN 1141Cb -0.26 -2.57 0.62 0.00 -1.45 0.00 0.00 41.25 37.60 3iyl s ASN 1141CO 0.29 -1.98 1.45 0.59 -3.72 0.00 0.00 177.10 173.73 3iyl n ASN 1142N 10.84 4.59 -4.33 -4.21 3.02 -1.25 -4.63 115.26 119.28 3iyl n ASN 1142Ca 0.37 -2.70 -0.45 0.00 -0.03 0.00 0.00 54.58 51.77 3iyl n ASN 1142Cb 0.49 -0.64 0.00 0.00 -0.61 0.00 0.00 39.78 39.02 3iyl n ASN 1142CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3iyl n ASN 1143N 0.48 5.54 0.00 6.41 5.15 -1.26 -4.71 115.26 126.86 3iyl n ASN 1143Ca 0.21 -3.06 0.00 0.00 -0.60 0.00 0.00 54.58 51.13 3iyl n ASN 1143Cb 0.97 -1.41 0.00 0.00 -0.53 0.00 0.00 39.78 38.81 3iyl n ASN 1143CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 3iyl n ASP 1144N 3.10 1.46 -0.11 1.20 2.03 -1.26 -4.60 116.55 118.37 3iyl n ASP 1144Ca 0.27 -1.47 0.02 0.00 0.52 0.00 0.00 54.79 54.13 3iyl n ASP 1144Cb 0.39 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 40.82 3iyl n ASP 1144CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 3iyl n SER 1145N -0.24 1.18 0.07 1.67 3.41 -1.26 -4.76 113.62 113.70 3iyl n SER 1145Ca 0.00 -1.98 0.06 0.00 -0.26 0.00 0.00 58.87 56.69 3iyl n SER 1145Cb 0.12 -0.13 0.50 0.00 -0.26 0.00 0.00 64.21 64.44 3iyl n SER 1145CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3iyl h LEU 1146N 0.00 0.31 0.00 1.04 5.85 -1.82 0.11 115.31 120.80 3iyl h LEU 1146Ca 0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3iyl h LEU 1146Cb 0.91 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.87 3iyl h LEU 1146CO 0.00 0.22 0.00 0.33 -0.34 0.00 0.00 178.44 178.65 3iyl n PHE 1147N -4.49 0.00 -3.86 1.25 7.35 -1.23 -3.90 117.46 112.58 3iyl n PHE 1147Ca 0.02 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.60 3iyl n PHE 1147Cb 0.10 0.00 -0.10 0.00 0.35 0.00 0.00 39.48 39.84 3iyl n PHE 1147CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 3iyl s SER 1148N 0.00 0.02 -0.23 -2.13 1.04 -1.15 -3.86 113.70 107.39 3iyl s SER 1148Ca 0.00 -0.21 0.11 0.00 0.48 0.00 0.00 55.95 56.33 3iyl s SER 1148Cb 0.00 0.22 -0.21 0.00 0.10 0.00 0.00 66.02 66.12 3iyl s SER 1148CO 0.00 -0.40 -0.06 1.07 0.98 0.00 0.00 173.24 174.83 3iyl n THR 1149N 1.35 1.43 -2.99 2.02 5.66 -1.00 -2.51 114.28 118.25 3iyl n THR 1149Ca -0.22 -0.73 -0.10 0.00 -3.05 0.00 0.00 64.05 59.95 3iyl n THR 1149Cb 0.56 -0.88 -0.02 0.00 -1.55 0.00 0.00 70.33 68.44 3iyl n THR 1149CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 3iyl s ASN 1150N -5.93 -0.62 0.00 1.09 -0.87 -1.26 -4.13 114.94 103.22 3iyl s ASN 1150Ca -0.21 -1.95 0.00 0.00 -1.57 0.00 0.00 52.86 49.13 3iyl s ASN 1150Cb 0.07 1.27 0.00 0.00 -0.02 0.00 0.00 41.25 42.58 3iyl s ASN 1150CO 0.73 -0.10 0.63 0.00 -2.57 0.00 0.00 177.10 175.79 3iyl n ALA 1151N 3.14 -0.03 0.02 0.60 0.00 -1.16 -3.18 120.51 119.91 3iyl n ALA 1151Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.64 3iyl n ALA 1151Cb 0.53 0.24 0.31 0.00 0.00 0.00 0.00 19.45 20.54 3iyl n ALA 1151CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iyl h ALA 1152N -1.80 1.40 -2.61 0.00 0.00 -1.84 -2.82 119.26 111.59 3iyl h ALA 1152Ca 0.00 -0.20 -0.56 0.00 0.00 0.00 0.00 54.91 54.15 3iyl h ALA 1152Cb 0.00 -0.14 0.10 0.00 0.00 0.00 0.00 17.79 17.76 3iyl h ALA 1152CO 0.00 0.42 0.61 0.45 0.00 0.00 0.00 179.25 180.73 3iyl n SER 1153N -4.28 3.08 0.00 0.00 2.88 -1.19 -2.66 113.62 111.44 3iyl n SER 1153Ca 0.01 1.20 0.07 0.00 -1.33 0.00 0.00 58.87 58.82 3iyl n SER 1153Cb 0.25 -1.51 0.35 0.00 -0.75 0.00 0.00 64.21 62.54 3iyl n SER 1153CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 3iyl n ILE 1154N 0.75 0.59 0.00 2.46 -5.35 0.21 -2.47 119.36 115.55 3iyl n ILE 1154Ca 0.05 0.15 0.00 0.00 -0.27 0.00 0.00 62.75 62.68 3iyl n ILE 1154Cb 0.36 -0.92 0.00 0.00 -1.74 0.00 0.00 39.64 37.34 3iyl n ILE 1154CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 3iyl n ASP 1155N -1.27 0.00 -4.77 7.28 2.03 -1.26 -4.58 116.55 113.98 3iyl n ASP 1155Ca 0.07 0.00 -0.38 0.00 0.52 0.00 0.00 54.79 55.00 3iyl n ASP 1155Cb 0.11 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.45 3iyl n ASP 1155CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 3iyl s THR 1156N 0.00 3.93 -0.08 5.18 -1.32 -1.26 -4.59 115.64 117.50 3iyl s THR 1156Ca 0.00 1.71 -0.02 0.00 -1.21 0.00 0.00 61.69 62.16 3iyl s THR 1156Cb 0.00 -3.99 -0.04 0.00 -1.51 0.00 0.00 72.50 66.96 3iyl s THR 1156CO 0.00 0.23 -0.09 0.00 -2.21 0.00 0.00 174.62 172.55 3iyl n ALA 1157N 0.73 2.25 -0.09 11.08 0.00 0.12 -4.83 120.51 129.77 3iyl n ALA 1157Ca 0.01 -0.31 -0.12 0.00 0.00 0.00 0.00 53.44 53.02 3iyl n ALA 1157Cb 0.48 0.37 -0.10 0.00 0.00 0.00 0.00 19.45 20.20 3iyl n ALA 1157CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3iyl n PHE 1158N -3.11 0.00 -0.57 0.00 7.35 -1.21 -4.85 117.46 115.08 3iyl n PHE 1158Ca -0.14 0.00 -0.30 0.00 -0.76 0.00 0.00 57.45 56.24 3iyl n PHE 1158Cb 0.62 -0.78 0.28 0.00 0.35 0.00 0.00 39.48 39.95 3iyl n PHE 1158CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 3iyl s GLY 1159N -5.62 1.46 -0.63 7.13 0.00 -1.26 -4.66 107.32 103.74 3iyl s GLY 1159Ca -0.21 -0.87 -0.22 0.00 0.00 0.00 0.00 44.72 43.43 3iyl s GLY 1159CO 0.53 0.11 0.88 -1.83 0.00 0.00 0.00 173.10 172.80 3iyl s GLU 1160N -5.18 3.10 0.21 2.90 4.04 -1.26 -4.83 118.70 117.67 3iyl s GLU 1160Ca 0.69 -0.95 -0.31 0.00 0.04 0.00 0.00 54.97 54.45 3iyl s GLU 1160Cb -0.12 -4.23 -0.15 0.00 0.02 0.00 0.00 34.13 29.65 3iyl s GLU 1160CO 0.57 -1.72 1.09 0.27 -1.84 0.00 0.00 175.26 173.63 3iyl n ASN 1161N 7.29 1.19 -3.10 0.83 0.23 -1.26 -4.74 115.26 115.70 3iyl n ASN 1161Ca -0.05 1.15 -0.21 0.00 -0.53 0.00 0.00 54.58 54.94 3iyl n ASN 1161Cb 0.45 -1.22 -0.05 0.00 -2.08 0.00 0.00 39.78 36.88 3iyl n ASN 1161CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3iyl n ALA 1162N 1.06 1.67 -1.57 -2.53 0.00 -1.26 -4.93 120.51 112.95 3iyl n ALA 1162Ca 0.14 -3.01 -0.47 0.00 0.00 0.00 0.00 53.44 50.10 3iyl n ALA 1162Cb 0.27 -0.92 -0.03 0.00 0.00 0.00 0.00 19.45 18.77 3iyl n ALA 1162CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iyl n ALA 1163N 1.42 -0.68 -1.35 0.00 0.00 -1.26 -2.37 120.51 116.27 3iyl n ALA 1163Ca 0.19 0.43 -0.55 0.00 0.00 0.00 0.00 53.44 53.51 3iyl n ALA 1163Cb 0.55 -1.99 -0.10 0.00 0.00 0.00 0.00 19.45 17.91 3iyl n ALA 1163CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3iyl n VAL 1164N 0.79 0.08 -1.68 0.00 0.31 -1.25 -4.79 118.33 111.79 3iyl n VAL 1164Ca 0.13 -0.12 -0.45 0.00 -0.01 0.00 0.00 64.34 63.88 3iyl n VAL 1164Cb 0.28 -1.02 -0.04 0.00 -0.91 0.00 0.00 33.84 32.15 3iyl n VAL 1164CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3iyl n SER 1165N 8.75 3.64 0.13 4.52 2.88 -1.26 -4.87 113.62 127.41 3iyl n SER 1165Ca 0.49 0.99 -0.01 0.00 -1.33 0.00 0.00 58.87 59.02 3iyl n SER 1165Cb 0.09 -1.45 0.26 0.00 -0.75 0.00 0.00 64.21 62.35 3iyl n SER 1165CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3iyl h PRO 1166N 8.51 0.14 0.00 -1.46 0.13 -1.96 -2.84 132.00 134.52 3iyl h PRO 1166Ca -0.47 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 3iyl h PRO 1166Cb 1.25 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 3iyl h PRO 1166CO 0.93 0.54 0.35 -0.07 -0.23 0.00 0.00 178.00 179.53 3iyl h LEU 1167N 0.12 0.00 0.00 1.56 3.38 -2.00 0.30 115.31 118.67 3iyl h LEU 1167Ca 0.01 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.75 3iyl h LEU 1167Cb 0.80 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 3iyl h LEU 1167CO 0.06 0.00 -1.18 0.03 0.09 0.00 0.00 178.44 177.44 3iyl h ARG 1168N 0.00 0.00 -1.84 1.13 2.47 -1.87 -3.38 114.38 110.89 3iyl h ARG 1168Ca 0.00 0.00 -0.65 0.00 -1.26 0.00 0.00 59.98 58.07 3iyl h ARG 1168Cb 0.69 0.00 -0.38 0.00 -1.65 0.00 0.00 29.97 28.64 3iyl h ARG 1168CO 0.00 0.81 -0.19 0.91 0.56 0.00 0.00 179.97 182.06 3iyl n TRP 1169N -3.25 3.41 -0.05 3.04 7.02 0.11 -2.41 117.44 125.31 3iyl n TRP 1169Ca -0.05 -3.09 -0.09 0.00 -1.02 0.00 0.00 57.50 53.26 3iyl n TRP 1169Cb 0.96 -0.49 -0.02 0.00 -2.42 0.00 0.00 31.31 29.34 3iyl n TRP 1169CO 0.00 0.00 0.00 -1.35 -2.02 0.00 0.00 177.69 174.32 3iyl h PRO 1170N 2.88 -0.28 -0.52 -0.99 0.11 -1.74 -0.67 132.00 130.79 3iyl h PRO 1170Ca 0.34 0.02 0.10 0.00 0.11 0.00 0.00 66.00 66.58 3iyl h PRO 1170Cb 0.60 0.06 -0.10 0.00 0.11 0.00 0.00 31.00 31.67 3iyl h PRO 1170CO 0.99 -0.19 -0.15 0.78 -0.21 0.00 0.00 178.00 179.23 3iyl h GLY 1171N -0.29 0.33 1.61 -0.55 0.00 -1.90 -0.90 103.07 101.38 3iyl h GLY 1171Ca 0.14 0.20 -0.10 0.00 0.00 0.00 0.00 47.33 47.56 3iyl h GLY 1171CO -0.42 -0.21 -0.30 -2.00 0.00 0.00 0.00 176.54 173.61 3iyl h LEU 1172N -0.03 0.45 -0.27 3.11 5.85 -1.41 -3.40 115.31 119.61 3iyl h LEU 1172Ca 0.25 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3iyl h LEU 1172Cb 0.41 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.31 3iyl h LEU 1172CO -0.55 0.74 0.00 1.33 -0.34 0.00 0.00 178.44 179.62 3iyl n VAL 1173N -4.09 0.00 -3.24 1.05 0.24 -0.37 -2.36 118.33 109.57 3iyl n VAL 1173Ca -0.01 -0.27 -0.39 0.00 -2.04 0.00 0.00 64.34 61.63 3iyl n VAL 1173Cb 0.43 1.24 -0.06 0.00 -1.47 0.00 0.00 33.84 33.98 3iyl n VAL 1173CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3iyl s ASP 1174N -0.26 6.65 0.14 -1.34 -1.08 -0.36 -4.72 116.67 115.69 3iyl s ASP 1174Ca 0.00 0.78 -0.17 0.00 -0.52 0.00 0.00 52.55 52.64 3iyl s ASP 1174Cb 0.00 -2.31 -0.01 0.00 -1.46 0.00 0.00 42.92 39.15 3iyl s ASP 1174CO 0.00 -0.13 1.78 -0.65 0.52 0.00 0.00 175.17 176.70 3iyl h PRO 1175N 7.16 0.49 0.00 4.34 0.11 -1.95 -2.71 132.00 139.44 3iyl h PRO 1175Ca -0.36 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3iyl h PRO 1175Cb 1.16 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3iyl h PRO 1175CO 0.75 0.35 0.00 -0.91 -0.21 0.00 0.00 178.00 177.98 3iyl h ASN 1176N 0.48 0.00 -3.05 -2.05 4.21 -1.95 -3.45 115.58 109.76 3iyl h ASN 1176Ca 0.13 0.00 -0.58 0.00 1.21 0.00 0.00 56.30 57.06 3iyl h ASN 1176Cb -0.02 0.00 0.12 0.00 -1.12 0.00 0.00 38.32 37.30 3iyl h ASN 1176CO -0.03 0.00 0.33 0.00 -1.29 0.00 0.00 177.43 176.45 3iyl n TYR 1177N -2.47 1.77 -4.91 1.19 9.36 -1.02 -4.98 117.16 116.10 3iyl n TYR 1177Ca 0.03 0.59 -0.32 0.00 3.32 0.00 0.00 57.90 61.52 3iyl n TYR 1177Cb 0.32 -2.33 -0.17 0.00 -0.63 0.00 0.00 39.34 36.53 3iyl n TYR 1177CO 0.00 0.00 0.00 0.50 0.22 0.00 0.00 176.86 177.58 3iyl s ARG 1178N -1.85 2.97 -0.57 2.98 6.06 -1.26 -5.03 118.95 122.25 3iyl s ARG 1178Ca 0.58 -0.84 -0.27 0.00 -2.50 0.00 0.00 55.73 52.70 3iyl s ARG 1178Cb -0.60 -2.33 -0.09 0.00 0.06 0.00 0.00 34.95 31.99 3iyl s ARG 1178CO 0.60 0.07 2.46 1.55 -2.50 0.00 0.00 175.30 177.48 3iyl n VAL 1179N 3.82 -0.07 0.00 7.11 3.14 -1.26 -2.86 118.33 128.21 3iyl n VAL 1179Ca -0.20 -0.69 0.00 0.00 -2.96 0.00 0.00 64.34 60.50 3iyl n VAL 1179Cb 0.52 -2.46 0.00 0.00 -1.06 0.00 0.00 33.84 30.84 3iyl n VAL 1179CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3iyl n GLY 1180N 6.10 1.10 2.93 7.55 0.00 -1.26 -5.07 105.19 116.53 3iyl n GLY 1180Ca 0.41 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.31 3iyl n GLY 1180CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3iyl s THR 1181N -1.10 0.14 -0.30 2.61 -4.23 -1.13 -5.15 115.64 106.48 3iyl s THR 1181Ca 0.00 -0.32 -0.11 0.00 -1.18 0.00 0.00 61.69 60.08 3iyl s THR 1181Cb 0.00 -0.18 0.13 0.00 1.34 0.00 0.00 72.50 73.80 3iyl s THR 1181CO 0.00 -0.12 0.70 0.54 -0.54 0.00 0.00 174.62 175.20 3iyl s ASN 1182N -0.46 -1.07 -1.01 3.99 4.22 -1.26 -4.95 114.94 114.40 3iyl s ASN 1182Ca -0.04 1.47 -0.22 0.00 -2.14 0.00 0.00 52.86 51.94 3iyl s ASN 1182Cb -0.03 2.21 -0.10 0.00 1.28 0.00 0.00 41.25 44.60 3iyl s ASN 1182CO -0.00 -0.21 1.93 -0.90 -2.04 0.00 0.00 177.10 175.88 3iyl n ASP 1183N 5.37 2.99 0.22 3.54 5.75 -1.26 -4.70 116.55 128.46 3iyl n ASP 1183Ca -0.12 -2.71 0.16 0.00 -0.01 0.00 0.00 54.79 52.11 3iyl n ASP 1183Cb 0.50 -1.45 0.74 0.00 -1.03 0.00 0.00 41.12 39.88 3iyl n ASP 1183CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 3iyl h LEU 1184N 15.19 0.00 -3.90 -2.12 5.85 -1.96 -2.99 115.31 125.37 3iyl h LEU 1184Ca 0.35 0.00 -0.59 0.00 0.84 0.00 0.00 57.88 58.47 3iyl h LEU 1184Cb 0.79 0.00 -0.39 0.00 0.37 0.00 0.00 40.66 41.44 3iyl h LEU 1184CO 1.62 0.00 -0.31 -2.65 -0.34 0.00 0.00 178.44 176.75 3iyl n PRO 1185N -2.66 3.34 0.00 5.25 -0.02 -1.26 -4.72 135.00 134.93 3iyl n PRO 1185Ca -0.00 -3.94 0.00 0.00 -2.02 0.00 0.00 63.50 57.53 3iyl n PRO 1185Cb 0.16 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 3iyl n PRO 1185CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3iyl n ASN 1186N -0.74 0.00 -4.42 2.55 3.02 -1.16 -4.77 115.26 109.73 3iyl n ASN 1186Ca 0.49 0.00 -0.26 0.00 -0.03 0.00 0.00 54.58 54.78 3iyl n ASN 1186Cb 0.85 0.29 -0.09 0.00 -0.61 0.00 0.00 39.78 40.21 3iyl n ASN 1186CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3iyl s ARG 1187N -1.86 1.89 -0.43 3.52 0.52 -1.14 -4.58 118.95 116.88 3iyl s ARG 1187Ca 0.00 -2.13 0.02 0.00 -0.52 0.00 0.00 55.73 53.10 3iyl s ARG 1187Cb 0.00 -1.01 0.13 0.00 0.52 0.00 0.00 34.95 34.59 3iyl s ARG 1187CO 0.00 -0.30 0.22 0.42 0.02 0.00 0.00 175.30 175.66 3iyl s ILE 1188N -3.11 1.33 -0.66 1.52 1.01 -1.26 -4.53 121.20 115.49 3iyl s ILE 1188Ca 0.26 -2.43 -0.26 0.00 0.00 0.00 0.00 60.65 58.22 3iyl s ILE 1188Cb 0.05 -1.94 -0.12 0.00 0.01 0.00 0.00 42.46 40.47 3iyl s ILE 1188CO 0.13 -0.88 2.43 0.41 0.00 0.00 0.00 174.94 177.03 3iyl n THR 1189N 3.67 -0.05 0.12 2.92 -1.04 -1.25 -4.70 114.28 113.94 3iyl n THR 1189Ca 0.08 -0.62 0.00 0.00 -2.04 0.00 0.00 64.05 61.47 3iyl n THR 1189Cb 0.35 -2.19 0.00 0.00 -1.82 0.00 0.00 70.33 66.68 3iyl n THR 1189CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3iyl n LEU 1190N 15.80 0.05 -3.19 -4.42 4.77 -1.01 -2.66 117.00 126.34 3iyl n LEU 1190Ca 0.45 -0.03 0.01 0.00 -0.03 0.00 0.00 56.01 56.41 3iyl n LEU 1190Cb 0.44 -0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.50 3iyl n LEU 1190CO 0.70 0.01 0.11 -0.47 -1.33 0.00 0.00 177.39 176.41 3iyl s TYR 1191N -1.37 -1.67 0.00 -1.77 5.04 -1.17 -2.19 117.35 114.21 3iyl s TYR 1191Ca 0.00 0.26 0.00 0.00 -2.44 0.00 0.00 57.07 54.89 3iyl s TYR 1191Cb 0.00 0.31 0.00 0.00 0.35 0.00 0.00 41.96 42.62 3iyl s TYR 1191CO 0.00 -1.13 0.00 0.09 -1.34 0.00 0.00 175.55 173.17 3iyl n ASN 1192N 4.40 1.68 -4.88 4.32 3.02 -1.11 -3.89 115.26 118.80 3iyl n ASN 1192Ca 0.11 -0.79 -0.21 0.00 -0.03 0.00 0.00 54.58 53.66 3iyl n ASN 1192Cb 0.57 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.71 3iyl n ASN 1192CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3iyl s SER 1193N -0.64 5.64 -0.29 6.41 1.04 -1.26 -1.72 113.70 122.88 3iyl s SER 1193Ca 0.00 -0.27 -0.21 0.00 0.48 0.00 0.00 55.95 55.95 3iyl s SER 1193Cb 0.00 -1.32 0.18 0.00 0.10 0.00 0.00 66.02 64.98 3iyl s SER 1193CO 0.00 -0.20 1.27 -1.48 0.98 0.00 0.00 173.24 173.81 3iyl s LEU 1194N -3.96 -0.18 -0.36 2.42 2.34 -0.62 -4.92 118.68 113.41 3iyl s LEU 1194Ca 0.37 0.31 -0.29 0.00 0.06 0.00 0.00 54.13 54.59 3iyl s LEU 1194Cb -0.08 1.30 0.02 0.00 -0.56 0.00 0.00 46.19 46.87 3iyl s LEU 1194CO 0.27 -0.05 1.18 -0.31 -1.06 0.00 0.00 176.35 176.38 3iyl s TYR 1195N 0.53 2.89 -0.18 3.48 2.02 -1.26 -2.16 117.35 122.66 3iyl s TYR 1195Ca 0.00 0.95 -0.10 0.00 -0.37 0.00 0.00 57.07 57.55 3iyl s TYR 1195Cb -0.04 -3.98 -0.05 0.00 -0.40 0.00 0.00 41.96 37.50 3iyl s TYR 1195CO -0.12 -1.24 0.16 1.03 -1.57 0.00 0.00 175.55 173.81 3iyl s ARG 1196N 4.08 4.11 0.65 -0.62 0.52 -0.40 -4.86 118.95 122.43 3iyl s ARG 1196Ca 0.50 -0.15 0.06 0.00 -0.52 0.00 0.00 55.73 55.62 3iyl s ARG 1196Cb -0.12 -3.39 0.11 0.00 0.52 0.00 0.00 34.95 32.07 3iyl s ARG 1196CO 0.23 0.35 0.89 0.71 0.02 0.00 0.00 175.30 177.50 3iyl s TYR 1197N 0.21 1.31 -0.10 -0.53 1.51 -0.08 -0.79 117.35 118.87 3iyl s TYR 1197Ca 0.10 -0.60 0.23 0.00 -1.01 0.00 0.00 57.07 55.79 3iyl s TYR 1197Cb -0.12 -2.50 0.45 0.00 -0.11 0.00 0.00 41.96 39.68 3iyl s TYR 1197CO -0.00 -1.45 1.16 0.09 -1.11 0.00 0.00 175.55 174.24 3iyl n ASN 1198N -2.51 1.40 -4.53 2.29 3.02 0.11 0.25 115.26 115.30 3iyl n ASN 1198Ca 0.16 -2.30 -0.55 0.00 -0.03 0.00 0.00 54.58 51.87 3iyl n ASN 1198Cb 0.61 -0.37 -0.07 0.00 -0.61 0.00 0.00 39.78 39.35 3iyl n ASN 1198CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3iyl n PHE 1199N -0.01 0.90 -4.04 3.10 3.72 -1.26 -4.96 117.46 114.91 3iyl n PHE 1199Ca 0.09 0.88 -0.35 0.00 -0.05 0.00 0.00 57.45 58.03 3iyl n PHE 1199Cb 1.00 -2.17 -0.09 0.00 -0.94 0.00 0.00 39.48 37.28 3iyl n PHE 1199CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 176.76 176.63 3iyl s THR 1200N 0.05 4.89 -0.92 4.37 -1.32 -1.26 -4.96 115.64 116.50 3iyl s THR 1200Ca 0.85 -0.01 -0.03 0.00 -1.21 0.00 0.00 61.69 61.29 3iyl s THR 1200Cb -1.10 -3.16 0.23 0.00 -1.51 0.00 0.00 72.50 66.96 3iyl s THR 1200CO 0.53 0.53 0.82 -0.31 -2.21 0.00 0.00 174.62 173.98 3iyl s TYR 1201N -0.24 3.94 0.73 9.09 2.02 -1.26 -3.08 117.35 128.55 3iyl s TYR 1201Ca 0.08 -2.94 -0.15 0.00 -0.37 0.00 0.00 57.07 53.69 3iyl s TYR 1201Cb -0.12 -3.35 0.04 0.00 -0.40 0.00 0.00 41.96 38.13 3iyl s TYR 1201CO 0.01 -0.78 1.21 -1.25 -1.57 0.00 0.00 175.55 173.17 3iyl s PRO 1202N -1.25 2.11 0.42 -1.71 0.04 -1.26 -5.04 135.00 128.32 3iyl s PRO 1202Ca 0.27 1.77 0.01 0.00 0.04 0.00 0.00 61.00 63.10 3iyl s PRO 1202Cb -0.08 -1.83 0.08 0.00 0.04 0.00 0.00 34.50 32.71 3iyl s PRO 1202CO -0.11 -1.86 0.58 0.25 0.04 0.00 0.00 177.00 175.90 3iyl n THR 1203N -2.73 0.00 0.20 1.26 -2.24 -1.26 -4.81 114.28 104.69 3iyl n THR 1203Ca 0.14 -1.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.07 3iyl n THR 1203Cb 0.50 -1.00 0.77 0.00 -2.10 0.00 0.00 70.33 68.50 3iyl n THR 1203CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3iyl h LEU 1204N 0.00 0.00 -0.14 3.22 6.46 -1.94 0.85 115.31 123.76 3iyl h LEU 1204Ca -0.19 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.57 3iyl h LEU 1204Cb 0.74 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.67 3iyl h LEU 1204CO 0.22 0.00 -0.28 0.47 -0.62 0.00 0.00 178.44 178.23 3iyl n ASP 1205N -4.09 0.50 0.12 1.25 8.00 -1.26 -2.82 116.55 118.25 3iyl n ASP 1205Ca 0.01 -0.31 -0.00 0.00 0.71 0.00 0.00 54.79 55.20 3iyl n ASP 1205Cb 0.28 0.02 0.03 0.00 -0.02 0.00 0.00 41.12 41.43 3iyl n ASP 1205CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 3iyl h GLY 1206N 4.98 0.00 0.00 0.44 0.00 0.40 -3.42 103.07 105.47 3iyl h GLY 1206Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3iyl h GLY 1206CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 176.54 177.93 3iyl n ILE 1207N -3.32 0.00 -1.77 2.60 2.08 -0.88 -4.84 119.36 113.23 3iyl n ILE 1207Ca 0.01 0.00 -0.30 0.00 0.56 0.00 0.00 62.75 63.02 3iyl n ILE 1207Cb 0.76 -0.10 0.07 0.00 -0.75 0.00 0.00 39.64 39.63 3iyl n ILE 1207CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3iyl s MET 1208N 0.55 2.37 -0.47 0.38 0.23 -1.16 -4.66 119.30 116.54 3iyl s MET 1208Ca 0.00 0.44 -0.03 0.00 -1.03 0.00 0.00 55.69 55.07 3iyl s MET 1208Cb 0.00 -1.97 0.12 0.00 -1.53 0.00 0.00 34.83 31.46 3iyl s MET 1208CO 0.00 -1.38 0.27 -0.47 -2.03 0.00 0.00 175.02 171.42 3iyl s TYR 1209N -3.33 3.53 0.44 3.16 5.04 0.19 -4.25 117.35 122.13 3iyl s TYR 1209Ca 0.60 -2.49 -0.03 0.00 -2.44 0.00 0.00 57.07 52.71 3iyl s TYR 1209Cb -0.12 -3.22 -0.03 0.00 0.35 0.00 0.00 41.96 38.94 3iyl s TYR 1209CO 0.52 -0.94 0.70 0.08 -1.34 0.00 0.00 175.55 174.58 3iyl s VAL 1210N 0.81 4.76 0.00 3.14 1.01 -1.26 -2.18 120.40 126.67 3iyl s VAL 1210Ca 0.11 -0.12 0.00 0.00 0.00 0.00 0.00 61.98 61.97 3iyl s VAL 1210Cb -0.22 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.37 3iyl s VAL 1210CO -0.04 -0.66 0.00 -1.14 0.00 0.00 0.00 175.10 173.26