#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d7u s ALA 189 N 0.00 3.25 0.35 6.99 0.00 -1.26 0.47 121.76 131.55 3d7u s ALA 189 Ca 0.00 0.52 0.09 0.00 0.00 0.00 0.00 51.96 52.56 3d7u s ALA 189 Cb 0.00 -3.24 -0.05 0.00 0.00 0.00 0.00 23.12 19.83 3d7u s ALA 189 CO 0.00 -0.04 0.07 -0.51 0.00 0.00 0.00 175.76 175.27 3d7u s LEU 190 N 0.16 3.07 -0.18 0.00 1.43 0.77 -4.83 118.68 119.10 3d7u s LEU 190 Ca 0.46 -0.95 -0.03 0.00 -1.03 0.00 0.00 54.13 52.58 3d7u s LEU 190 Cb -0.22 -1.46 -0.02 0.00 0.03 0.00 0.00 46.19 44.52 3d7u s LEU 190 CO 0.28 -0.29 -0.05 0.21 0.23 0.00 0.00 176.35 176.73 3d7u s ASN 191 N -3.77 4.46 0.44 2.29 3.84 -1.26 -4.69 114.94 116.24 3d7u s ASN 191 Ca 0.36 -0.28 0.16 0.00 0.21 0.00 0.00 52.86 53.32 3d7u s ASN 191 Cb -0.00 -1.74 1.08 0.00 -0.55 0.00 0.00 41.25 40.04 3d7u s ASN 191 CO 0.21 0.07 1.93 -0.03 -2.79 0.00 0.00 177.10 176.49 3d7u h MET 192 N 7.40 0.37 0.00 0.43 1.85 -1.96 -1.07 114.93 121.95 3d7u h MET 192 Ca -0.35 -0.02 -0.01 0.00 -0.61 0.00 0.00 59.70 58.71 3d7u h MET 192 Cb 1.18 -0.08 -0.00 0.00 0.43 0.00 0.00 31.60 33.13 3d7u h MET 192 CO 0.60 0.24 -0.06 0.87 -0.40 0.00 0.00 176.91 178.16 3d7u h LYS 193 N 0.38 0.00 -0.22 0.39 1.57 -2.02 -1.76 116.57 114.91 3d7u h LYS 193 Ca 0.35 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 3d7u h LYS 193 Cb 0.84 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.15 3d7u h LYS 193 CO -0.10 0.06 0.00 0.39 -0.57 0.00 0.00 179.45 179.23 3d7u n GLU 194 N -3.47 2.16 -4.01 3.15 -0.58 -0.41 -4.85 120.64 112.63 3d7u n GLU 194 Ca -0.02 -1.72 -0.35 0.00 -0.42 0.00 0.00 57.16 54.65 3d7u n GLU 194 Cb 0.19 -1.46 -0.13 0.00 -0.57 0.00 0.00 31.44 29.46 3d7u n GLU 194 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 3d7u s LEU 195 N -1.66 3.05 -0.27 -4.62 0.20 -0.66 -2.38 118.68 112.32 3d7u s LEU 195 Ca 0.35 -0.31 -0.01 0.00 0.69 0.00 0.00 54.13 54.85 3d7u s LEU 195 Cb 0.20 -1.77 0.04 0.00 -0.43 0.00 0.00 46.19 44.24 3d7u s LEU 195 CO 0.30 0.02 -0.05 -0.75 -0.29 0.00 0.00 176.35 175.58 3d7u s LYS 196 N 1.25 2.52 -0.51 1.98 2.20 0.09 -4.96 119.74 122.31 3d7u s LYS 196 Ca 0.03 -1.19 -0.28 0.00 -0.36 0.00 0.00 55.97 54.17 3d7u s LYS 196 Cb -0.14 -3.05 0.00 0.00 -1.51 0.00 0.00 37.83 33.13 3d7u s LYS 196 CO -0.00 -0.54 1.54 -0.51 -0.36 0.00 0.00 175.35 175.48 3d7u s LEU 197 N 1.24 3.43 -0.07 5.43 1.43 -1.26 -1.38 118.68 127.51 3d7u s LEU 197 Ca -0.04 0.55 -0.04 0.00 -1.03 0.00 0.00 54.13 53.56 3d7u s LEU 197 Cb -0.19 -3.13 -0.02 0.00 0.03 0.00 0.00 46.19 42.88 3d7u s LEU 197 CO -0.03 -1.76 0.19 -0.07 0.23 0.00 0.00 176.35 174.91 3d7u h LEU 198 N 13.52 -0.12 -7.78 1.79 3.38 -1.65 -3.49 115.31 120.95 3d7u h LEU 198 Ca -0.28 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.63 3d7u h LEU 198 Cb 1.12 0.03 -0.12 0.00 0.09 0.00 0.00 40.66 41.77 3d7u h LEU 198 CO 1.14 0.28 -0.21 0.00 0.09 0.00 0.00 178.44 179.75 3d7u s GLN 199 N -1.97 1.11 -0.34 1.13 -2.07 -1.08 -4.99 119.66 111.44 3d7u s GLN 199 Ca -0.02 -0.96 -0.22 0.00 -1.82 0.00 0.00 55.36 52.34 3d7u s GLN 199 Cb 0.00 0.42 0.00 0.00 -1.09 0.00 0.00 33.01 32.34 3d7u s GLN 199 CO 0.06 -0.42 0.74 0.99 -1.32 0.00 0.00 175.29 175.34 3d7u s THR 200 N -3.89 4.80 0.13 3.63 2.01 -1.26 0.19 115.64 121.26 3d7u s THR 200 Ca 0.09 0.91 0.04 0.00 0.31 0.00 0.00 61.69 63.04 3d7u s THR 200 Cb 0.02 -4.14 -0.20 0.00 0.01 0.00 0.00 72.50 68.20 3d7u s THR 200 CO -0.06 -0.33 1.30 0.40 -0.69 0.00 0.00 174.62 175.24 3d7u h ILE 201 N 5.67 1.60 -1.70 1.82 2.04 -0.74 -3.47 117.51 122.73 3d7u h ILE 201 Ca -0.25 -3.06 0.05 0.00 1.00 0.00 0.00 64.86 62.59 3d7u h ILE 201 Cb 1.10 2.73 -0.25 0.00 -0.74 0.00 0.00 36.82 39.66 3d7u h ILE 201 CO 0.88 0.88 0.34 -0.83 0.00 0.00 0.00 178.15 179.41 3d7u s GLY 202 N -4.63 -0.25 -0.43 5.37 0.00 -0.80 -5.00 107.32 101.59 3d7u s GLY 202 Ca -0.01 2.62 -0.05 0.00 0.00 0.00 0.00 44.72 47.28 3d7u s GLY 202 CO 0.83 2.02 0.25 0.54 0.00 0.00 0.00 173.10 176.74 3d7u s LYS 203 N 0.61 2.16 0.62 2.90 1.02 -1.26 -1.08 119.74 124.70 3d7u s LYS 203 Ca -0.01 -1.80 0.09 0.00 0.02 0.00 0.00 55.97 54.27 3d7u s LYS 203 Cb -0.05 -3.69 0.10 0.00 -0.52 0.00 0.00 37.83 33.68 3d7u s LYS 203 CO -0.08 -1.11 0.85 0.20 -0.92 0.00 0.00 175.35 174.29 3d7u s GLY 204 N 2.09 1.70 0.19 -3.33 0.00 -0.40 -5.03 107.32 102.53 3d7u s GLY 204 Ca 0.07 -2.19 0.01 0.00 0.00 0.00 0.00 44.72 42.61 3d7u s GLY 204 CO -0.03 -1.67 1.45 -2.09 0.00 0.00 0.00 173.10 170.76 3d7u h GLU 205 N 0.03 0.32 -0.01 2.90 4.81 -2.03 -3.33 114.58 117.28 3d7u h GLU 205 Ca -0.29 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 58.67 3d7u h GLU 205 Cb 1.29 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.72 3d7u h GLU 205 CO 0.40 0.92 -0.25 1.19 -0.73 0.00 0.00 179.01 180.54 3d7u n PHE 206 N -3.81 0.00 -3.76 0.92 3.01 -1.26 -4.87 117.46 107.68 3d7u n PHE 206 Ca -0.04 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.46 3d7u n PHE 206 Cb 0.70 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.18 3d7u n PHE 206 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 3d7u s GLY 207 N -1.70 -0.35 0.13 1.37 0.00 -1.25 -1.02 107.32 104.50 3d7u s GLY 207 Ca 0.14 0.55 0.10 0.00 0.00 0.00 0.00 44.72 45.50 3d7u s GLY 207 CO 0.34 2.78 -0.23 0.99 0.00 0.00 0.00 173.10 176.97 3d7u s ASP 208 N -3.38 2.94 -0.05 1.64 1.01 -0.66 -1.28 116.67 116.90 3d7u s ASP 208 Ca 0.22 -0.74 0.03 0.00 0.71 0.00 0.00 52.55 52.76 3d7u s ASP 208 Cb 0.04 -0.18 0.00 0.00 1.01 0.00 0.00 42.92 43.79 3d7u s ASP 208 CO -0.04 0.11 -0.13 -0.69 0.21 0.00 0.00 175.17 174.63 3d7u s VAL 209 N -1.24 1.12 0.05 -1.27 1.01 -0.24 -1.92 120.40 117.91 3d7u s VAL 209 Ca 0.11 -0.52 0.05 0.00 0.00 0.00 0.00 61.98 61.63 3d7u s VAL 209 Cb -0.09 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.26 3d7u s VAL 209 CO 0.06 0.34 -0.15 -0.04 0.00 0.00 0.00 175.10 175.31 3d7u s MET 210 N 0.32 0.96 0.21 2.72 -1.94 0.29 0.00 119.30 121.87 3d7u s MET 210 Ca -0.08 -0.81 -0.27 0.00 -1.71 0.00 0.00 55.69 52.83 3d7u s MET 210 Cb -0.12 -0.99 -0.09 0.00 2.01 0.00 0.00 34.83 35.65 3d7u s MET 210 CO 0.02 0.24 0.85 -1.17 -0.01 0.00 0.00 175.02 174.96 3d7u s LEU 211 N -1.24 4.58 0.00 -0.03 2.96 0.13 -0.76 118.68 124.32 3d7u s LEU 211 Ca 0.02 1.77 0.04 0.00 -0.22 0.00 0.00 54.13 55.74 3d7u s LEU 211 Cb -0.08 -3.51 -0.02 0.00 0.50 0.00 0.00 46.19 43.09 3d7u s LEU 211 CO 0.01 0.15 0.35 0.61 -1.32 0.00 0.00 176.35 176.16 3d7u n GLY 212 N 1.40 2.63 2.87 7.98 0.00 0.11 -1.67 105.19 118.52 3d7u n GLY 212 Ca -0.03 -1.79 -0.27 0.00 0.00 0.00 0.00 46.02 43.92 3d7u n GLY 212 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3d7u s ASP 213 N -3.27 2.43 -0.22 1.61 -1.08 -0.48 -0.86 116.67 114.82 3d7u s ASP 213 Ca 0.36 -0.47 0.01 0.00 -0.52 0.00 0.00 52.55 51.93 3d7u s ASP 213 Cb 0.01 -0.80 0.05 0.00 -1.46 0.00 0.00 42.92 40.72 3d7u s ASP 213 CO 0.26 -0.17 -0.10 -0.47 0.52 0.00 0.00 175.17 175.20 3d7u s TYR 214 N 1.73 2.61 -1.53 -5.34 5.04 -0.14 -0.73 117.35 118.98 3d7u s TYR 214 Ca 0.03 -1.78 -0.13 0.00 -2.44 0.00 0.00 57.07 52.74 3d7u s TYR 214 Cb -0.14 -1.70 0.08 0.00 0.35 0.00 0.00 41.96 40.55 3d7u s TYR 214 CO -0.08 -0.78 0.95 0.54 -1.34 0.00 0.00 175.55 174.84 3d7u n ARG 215 N 4.62 -5.34 0.00 4.97 1.74 -1.00 -1.88 116.66 119.77 3d7u n ARG 215 Ca -0.14 0.58 0.00 0.00 -0.77 0.00 0.00 57.85 57.52 3d7u n ARG 215 Cb 0.45 -5.44 0.00 0.00 -1.02 0.00 0.00 32.46 26.46 3d7u n ARG 215 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3d7u n GLY 216 N -1.68 1.83 3.61 -0.13 0.00 -1.26 -5.04 105.19 102.52 3d7u n GLY 216 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 3d7u n GLY 216 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3d7u s ASN 217 N -2.65 4.75 0.38 1.61 -0.87 -0.79 -5.07 114.94 112.31 3d7u s ASN 217 Ca 0.00 -0.08 -0.27 0.00 -1.57 0.00 0.00 52.86 50.93 3d7u s ASN 217 Cb 0.00 -1.16 -0.10 0.00 -0.02 0.00 0.00 41.25 39.97 3d7u s ASN 217 CO 0.00 0.30 1.41 -0.54 -2.57 0.00 0.00 177.10 175.70 3d7u s LYS 218 N -1.31 4.06 0.12 -0.60 1.02 -1.26 -0.97 119.74 120.81 3d7u s LYS 218 Ca 0.16 2.40 -0.09 0.00 0.02 0.00 0.00 55.97 58.47 3d7u s LYS 218 Cb -0.11 -2.90 -0.00 0.00 -0.52 0.00 0.00 37.83 34.29 3d7u s LYS 218 CO 0.07 -0.50 0.24 0.08 -0.92 0.00 0.00 175.35 174.31 3d7u s VAL 219 N -1.16 0.11 -0.13 3.17 1.01 -0.04 -4.35 120.40 119.01 3d7u s VAL 219 Ca 0.54 -1.24 -0.03 0.00 0.00 0.00 0.00 61.98 61.26 3d7u s VAL 219 Cb -0.43 -1.54 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 3d7u s VAL 219 CO 0.58 -0.48 -0.03 0.00 0.00 0.00 0.00 175.10 175.16 3d7u s ALA 220 N -3.90 3.08 -0.11 5.51 0.00 0.46 0.10 121.76 126.89 3d7u s ALA 220 Ca 0.10 -0.82 0.03 0.00 0.00 0.00 0.00 51.96 51.26 3d7u s ALA 220 Cb 0.04 -1.50 0.01 0.00 0.00 0.00 0.00 23.12 21.67 3d7u s ALA 220 CO -0.06 0.36 -0.19 0.08 0.00 0.00 0.00 175.76 175.94 3d7u s VAL 221 N -0.13 1.79 0.04 0.00 1.01 0.06 0.83 120.40 124.01 3d7u s VAL 221 Ca 0.03 -0.83 0.09 0.00 0.00 0.00 0.00 61.98 61.27 3d7u s VAL 221 Cb -0.13 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.63 3d7u s VAL 221 CO 0.02 0.50 -0.25 -0.75 0.00 0.00 0.00 175.10 174.62 3d7u s LYS 222 N 0.73 1.87 0.07 2.72 2.20 -0.15 -0.55 119.74 126.63 3d7u s LYS 222 Ca -0.11 -1.08 0.06 0.00 -0.36 0.00 0.00 55.97 54.48 3d7u s LYS 222 Cb -0.16 -2.02 -0.03 0.00 -1.51 0.00 0.00 37.83 34.11 3d7u s LYS 222 CO 0.02 0.52 -0.16 0.00 -0.36 0.00 0.00 175.35 175.37 3d7u s ILE 224 N -1.12 4.13 0.64 0.00 1.01 -1.26 -1.66 121.20 122.93 3d7u s ILE 224 Ca 0.01 -0.26 -0.10 0.00 0.00 0.00 0.00 60.65 60.31 3d7u s ILE 224 Cb -0.09 -2.87 -0.01 0.00 0.01 0.00 0.00 42.46 39.50 3d7u s ILE 224 CO 0.02 0.43 1.02 -0.54 0.00 0.00 0.00 174.94 175.87 3d7u s LYS 225 N 0.88 3.23 -1.56 2.79 1.02 -0.19 -4.27 119.74 121.64 3d7u s LYS 225 Ca 0.01 0.49 -0.12 0.00 0.02 0.00 0.00 55.97 56.38 3d7u s LYS 225 Cb -0.14 -2.11 0.09 0.00 -0.52 0.00 0.00 37.83 35.15 3d7u s LYS 225 CO 0.02 -0.73 0.79 -1.71 -0.92 0.00 0.00 175.35 172.80 3d7u n ASN 226 N -2.78 -3.17 -3.08 2.83 2.85 -1.26 -4.88 115.26 105.77 3d7u n ASN 226 Ca 0.06 -0.91 -0.25 0.00 -0.11 0.00 0.00 54.58 53.37 3d7u n ASN 226 Cb 0.56 -3.34 -0.05 0.00 1.24 0.00 0.00 39.78 38.19 3d7u n ASN 226 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 3d7u n ASP 227 N -2.81 3.53 -0.32 1.20 2.03 -1.26 -4.96 116.55 113.96 3d7u n ASP 227 Ca -0.04 -3.48 0.17 0.00 0.52 0.00 0.00 54.79 51.96 3d7u n ASP 227 Cb 0.55 -0.59 0.36 0.00 -0.72 0.00 0.00 41.12 40.72 3d7u n ASP 227 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3d7u h ALA 228 N 3.24 1.57 -0.01 -1.67 0.00 -1.94 0.94 119.26 121.40 3d7u h ALA 228 Ca 0.13 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3d7u h ALA 228 Cb 0.63 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3d7u h ALA 228 CO 0.75 -0.43 -0.23 0.25 0.00 0.00 0.00 179.25 179.58 3d7u n THR 229 N -5.08 0.00 -1.05 0.00 -2.24 -1.26 -4.93 114.28 99.71 3d7u n THR 229 Ca 0.25 -0.21 -0.02 0.00 -2.27 0.00 0.00 64.05 61.81 3d7u n THR 229 Cb 0.76 0.67 -0.01 0.00 -2.10 0.00 0.00 70.33 69.66 3d7u n THR 229 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3d7u n ALA 230 N -0.21 -0.03 0.18 6.98 0.00 0.32 -4.89 120.51 122.87 3d7u n ALA 230 Ca 0.13 0.03 0.05 0.00 0.00 0.00 0.00 53.44 53.65 3d7u n ALA 230 Cb 0.39 -0.85 0.31 0.00 0.00 0.00 0.00 19.45 19.30 3d7u n ALA 230 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 3d7u h GLN 231 N 0.41 0.00 -0.28 0.00 3.07 -1.92 -0.15 115.11 116.24 3d7u h GLN 231 Ca -0.04 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.64 3d7u h GLN 231 Cb 0.54 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.09 3d7u h GLN 231 CO 0.06 0.39 -0.06 0.00 0.09 0.00 0.00 178.83 179.30 3d7u h ALA 232 N 1.61 0.38 -0.02 0.06 0.00 -1.90 -0.09 119.26 119.31 3d7u h ALA 232 Ca -0.00 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.66 3d7u h ALA 232 Cb 0.95 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 3d7u h ALA 232 CO 0.05 0.18 -0.12 0.35 0.00 0.00 0.00 179.25 179.71 3d7u h PHE 233 N 0.28 -0.30 -0.11 0.00 3.57 -1.84 -1.21 116.94 117.33 3d7u h PHE 233 Ca 0.07 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.60 3d7u h PHE 233 Cb 0.53 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.39 3d7u h PHE 233 CO 0.05 -0.18 0.01 -0.07 -2.23 0.00 0.00 178.31 175.89 3d7u h LEU 234 N -0.19 -0.03 -0.84 0.59 3.38 -0.89 -1.47 115.31 115.87 3d7u h LEU 234 Ca 0.05 0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.13 3d7u h LEU 234 Cb 0.26 0.04 -0.07 0.00 0.09 0.00 0.00 40.66 40.97 3d7u h LEU 234 CO -0.13 0.00 0.49 0.00 0.09 0.00 0.00 178.44 178.89 3d7u h ALA 235 N 1.09 1.19 -0.19 1.53 0.00 -0.78 0.39 119.26 122.47 3d7u h ALA 235 Ca 0.05 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 3d7u h ALA 235 Cb 0.05 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3d7u h ALA 235 CO -0.08 0.14 -0.43 1.49 0.00 0.00 0.00 179.25 180.37 3d7u h GLU 236 N 0.83 0.63 0.03 0.00 4.81 -0.93 -2.61 114.58 117.35 3d7u h GLU 236 Ca 0.40 -0.42 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3d7u h GLU 236 Cb 0.33 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.76 3d7u h GLU 236 CO -0.23 1.04 -0.02 0.00 -0.73 0.00 0.00 179.01 179.07 3d7u h ALA 237 N 0.59 -0.05 0.06 2.92 0.00 -0.95 -2.40 119.26 119.43 3d7u h ALA 237 Ca 0.00 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.85 3d7u h ALA 237 Cb 1.04 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.79 3d7u h ALA 237 CO 0.09 -0.45 -0.47 0.77 0.00 0.00 0.00 179.25 179.19 3d7u h SER 238 N -0.19 -1.41 -0.95 0.00 0.02 -0.95 -1.21 113.55 108.85 3d7u h SER 238 Ca -0.00 0.16 0.11 0.00 -0.84 0.00 0.00 61.79 61.22 3d7u h SER 238 Cb 0.17 0.54 -0.07 0.00 0.14 0.00 0.00 62.40 63.18 3d7u h SER 238 CO 0.01 -0.50 0.61 1.62 -1.14 0.00 0.00 176.83 177.42 3d7u h VAL 239 N -0.66 0.94 -0.17 2.27 3.04 -1.48 -0.16 116.25 120.04 3d7u h VAL 239 Ca 0.02 -0.32 -0.03 0.00 -1.01 0.00 0.00 66.70 65.36 3d7u h VAL 239 Cb 0.70 -0.08 -0.01 0.00 -2.01 0.00 0.00 31.29 29.90 3d7u h VAL 239 CO -0.30 0.17 -0.04 0.24 -1.01 0.00 0.00 177.57 176.62 3d7u h MET 240 N 0.93 0.25 0.00 4.17 2.86 -0.72 0.12 114.93 122.53 3d7u h MET 240 Ca 0.46 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 58.05 3d7u h MET 240 Cb 0.46 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.08 3d7u h MET 240 CO -0.22 0.31 0.00 0.25 1.06 0.00 0.00 176.91 178.31 3d7u n THR 241 N -4.35 0.93 0.88 2.22 -2.24 -0.08 -2.35 114.28 109.29 3d7u n THR 241 Ca -0.00 0.28 0.10 0.00 -2.27 0.00 0.00 64.05 62.15 3d7u n THR 241 Cb 0.20 -1.16 -0.00 0.00 -2.10 0.00 0.00 70.33 67.27 3d7u n THR 241 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3d7u n GLN 242 N -1.99 1.42 -3.86 -0.78 6.02 0.38 -4.94 117.38 113.63 3d7u n GLN 242 Ca 0.02 -0.92 -0.35 0.00 -0.01 0.00 0.00 57.00 55.73 3d7u n GLN 242 Cb 0.19 -1.39 -0.08 0.00 1.02 0.00 0.00 30.24 29.98 3d7u n GLN 242 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3d7u s LEU 243 N -2.28 4.13 -0.33 1.08 1.43 -0.99 -5.04 118.68 116.68 3d7u s LEU 243 Ca 0.16 0.25 0.02 0.00 -1.03 0.00 0.00 54.13 53.53 3d7u s LEU 243 Cb 0.16 -2.04 0.16 0.00 0.03 0.00 0.00 46.19 44.49 3d7u s LEU 243 CO 0.50 0.24 0.40 -0.60 0.23 0.00 0.00 176.35 177.11 3d7u s ARG 244 N -0.01 0.51 -0.01 1.70 3.52 -1.26 -4.88 118.95 118.53 3d7u s ARG 244 Ca 0.09 -0.30 -0.11 0.00 -0.13 0.00 0.00 55.73 55.27 3d7u s ARG 244 Cb -0.12 -0.48 0.01 0.00 -1.56 0.00 0.00 34.95 32.81 3d7u s ARG 244 CO -0.00 -1.10 0.24 -1.58 -0.81 0.00 0.00 175.30 172.04 3d7u s HIS 245 N 2.07 -0.09 -1.44 5.12 2.46 -1.26 -5.03 115.29 117.11 3d7u s HIS 245 Ca 0.13 0.11 0.17 0.00 0.47 0.00 0.00 55.06 55.93 3d7u s HIS 245 Cb -0.13 0.04 0.85 0.00 -0.13 0.00 0.00 32.58 33.21 3d7u s HIS 245 CO -0.19 -0.34 1.49 -1.13 -2.47 0.00 0.00 174.74 172.10 3d7u n SER 246 N 1.40 0.00 -0.42 9.88 3.41 -1.26 -2.58 113.62 124.05 3d7u n SER 246 Ca -0.22 0.04 0.08 0.00 -0.26 0.00 0.00 58.87 58.50 3d7u n SER 246 Cb 0.56 -0.28 0.18 0.00 -0.26 0.00 0.00 64.21 64.41 3d7u n SER 246 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3d7u n ASN 247 N -1.28 2.45 -4.15 4.04 3.02 -1.26 -4.94 115.26 113.13 3d7u n ASN 247 Ca 0.08 -3.33 -0.29 0.00 -0.03 0.00 0.00 54.58 51.01 3d7u n ASN 247 Cb 0.13 -0.49 -0.17 0.00 -0.61 0.00 0.00 39.78 38.65 3d7u n ASN 247 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3d7u s LEU 248 N -2.99 1.93 0.17 3.41 1.43 -1.06 -1.10 118.68 120.47 3d7u s LEU 248 Ca 0.36 -0.45 -0.33 0.00 -1.03 0.00 0.00 54.13 52.68 3d7u s LEU 248 Cb 0.32 -1.17 -0.13 0.00 0.03 0.00 0.00 46.19 45.24 3d7u s LEU 248 CO 0.01 0.13 1.61 0.52 0.23 0.00 0.00 176.35 178.85 3d7u n VAL 249 N 3.50 0.00 -3.13 -1.59 0.31 -0.28 -4.73 118.33 112.41 3d7u n VAL 249 Ca -0.20 -0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 63.74 3d7u n VAL 249 Cb 0.52 -1.64 -0.05 0.00 -0.91 0.00 0.00 33.84 31.77 3d7u n VAL 249 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 3d7u s GLN 250 N 0.96 4.39 0.19 5.55 2.00 -1.26 -4.96 119.66 126.53 3d7u s GLN 250 Ca 0.78 0.79 -0.30 0.00 -2.00 0.00 0.00 55.36 54.62 3d7u s GLN 250 Cb -0.64 -3.41 -0.09 0.00 0.80 0.00 0.00 33.01 29.68 3d7u s GLN 250 CO 0.37 0.19 1.33 -1.17 -0.50 0.00 0.00 175.29 175.50 3d7u s LEU 251 N 0.40 4.41 -0.14 3.68 2.96 -1.26 -1.74 118.68 126.99 3d7u s LEU 251 Ca 0.34 2.41 0.14 0.00 -0.22 0.00 0.00 54.13 56.80 3d7u s LEU 251 Cb -0.18 -3.61 -0.19 0.00 0.50 0.00 0.00 46.19 42.71 3d7u s LEU 251 CO 0.17 -0.55 0.09 0.18 -1.32 0.00 0.00 176.35 174.91 3d7u n LEU 252 N 2.76 0.00 0.00 -0.68 4.77 0.01 -4.89 117.00 118.97 3d7u n LEU 252 Ca 0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 3d7u n LEU 252 Cb 0.43 0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.85 3d7u n LEU 252 CO 0.58 0.33 0.00 0.61 -1.33 0.00 0.00 177.39 177.58 3d7u n GLY 253 N 2.01 -2.54 3.27 -0.72 0.00 -1.07 -4.94 105.19 101.21 3d7u n GLY 253 Ca -0.22 -1.27 -0.26 0.00 0.00 0.00 0.00 46.02 44.27 3d7u n GLY 253 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d7u s VAL 254 N -2.12 1.75 -0.13 1.61 1.01 0.17 -0.98 120.40 121.72 3d7u s VAL 254 Ca 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 61.98 60.65 3d7u s VAL 254 Cb 0.00 -1.54 0.02 0.00 0.00 0.00 0.00 36.38 34.87 3d7u s VAL 254 CO 0.00 0.15 -0.11 -0.63 0.00 0.00 0.00 175.10 174.50 3d7u s ILE 255 N -0.91 1.34 -0.30 2.22 1.01 -0.73 -0.16 121.20 123.67 3d7u s ILE 255 Ca 0.08 -0.49 0.02 0.00 0.00 0.00 0.00 60.65 60.27 3d7u s ILE 255 Cb -0.09 -1.29 0.09 0.00 0.01 0.00 0.00 42.46 41.17 3d7u s ILE 255 CO 0.03 0.42 0.02 -0.69 0.00 0.00 0.00 174.94 174.71 3d7u s VAL 256 N 1.58 1.83 -0.03 2.92 1.01 -1.26 -1.37 120.40 125.08 3d7u s VAL 256 Ca 0.05 -1.83 -0.23 0.00 0.00 0.00 0.00 61.98 59.97 3d7u s VAL 256 Cb -0.13 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 3d7u s VAL 256 CO -0.10 -0.43 0.69 -1.61 0.00 0.00 0.00 175.10 173.65 3d7u s GLU 257 N 1.17 4.43 0.65 2.72 2.02 -0.86 -4.94 118.70 123.90 3d7u s GLU 257 Ca 0.05 0.89 0.38 0.00 0.02 0.00 0.00 54.97 56.30 3d7u s GLU 257 Cb -0.19 -3.41 2.06 0.00 0.10 0.00 0.00 34.13 32.69 3d7u s GLU 257 CO -0.11 0.16 2.16 0.93 0.02 0.00 0.00 175.26 178.42 3d7u h GLU 258 N 6.35 0.00 0.00 1.61 4.39 -1.99 0.30 114.58 125.24 3d7u h GLU 258 Ca -0.42 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.23 3d7u h GLU 258 Cb 1.20 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.84 3d7u h GLU 258 CO 0.73 0.00 -0.23 0.87 -1.16 0.00 0.00 179.01 179.22 3d7u h LYS 259 N 0.00 0.00 0.00 2.33 6.56 -2.05 -3.46 116.57 119.95 3d7u h LYS 259 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 3d7u h LYS 259 Cb 0.25 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.91 3d7u h LYS 259 CO 0.00 0.23 0.00 0.41 -2.06 0.00 0.00 179.45 178.03 3d7u n GLY 260 N -0.08 1.13 3.62 3.86 0.00 0.11 -5.10 105.19 108.73 3d7u n GLY 260 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3d7u n GLY 260 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3d7u s GLY 261 N -1.26 1.16 -0.23 -0.02 0.00 -1.22 -4.88 107.32 100.87 3d7u s GLY 261 Ca 0.00 0.38 -0.04 0.00 0.00 0.00 0.00 44.72 45.05 3d7u s GLY 261 CO 0.00 3.00 -0.02 1.08 0.00 0.00 0.00 173.10 177.16 3d7u s LEU 262 N 5.39 3.02 0.07 0.66 1.43 -1.26 -2.02 118.68 125.97 3d7u s LEU 262 Ca 0.71 -0.37 0.06 0.00 -1.03 0.00 0.00 54.13 53.49 3d7u s LEU 262 Cb -0.23 -1.77 -0.03 0.00 0.03 0.00 0.00 46.19 44.19 3d7u s LEU 262 CO 0.30 -0.03 -0.16 -0.31 0.23 0.00 0.00 176.35 176.38 3d7u s TYR 263 N 1.50 1.35 -0.25 0.29 1.51 -0.47 -4.47 117.35 116.80 3d7u s TYR 263 Ca 0.06 -0.43 -0.01 0.00 -1.01 0.00 0.00 57.07 55.68 3d7u s TYR 263 Cb -0.14 -0.76 0.03 0.00 -0.11 0.00 0.00 41.96 40.97 3d7u s TYR 263 CO -0.02 0.08 -0.06 0.42 -1.11 0.00 0.00 175.55 174.86 3d7u s ILE 264 N -1.15 2.84 -0.12 2.71 1.01 0.02 -1.78 121.20 124.73 3d7u s ILE 264 Ca 0.01 -1.06 -0.18 0.00 0.00 0.00 0.00 60.65 59.41 3d7u s ILE 264 Cb -0.10 -2.45 -0.04 0.00 0.01 0.00 0.00 42.46 39.88 3d7u s ILE 264 CO 0.02 0.18 0.48 -0.69 0.00 0.00 0.00 174.94 174.94 3d7u s VAL 265 N 1.31 5.19 0.14 2.92 1.01 -0.15 -0.98 120.40 129.84 3d7u s VAL 265 Ca -0.00 0.97 0.04 0.00 0.00 0.00 0.00 61.98 62.99 3d7u s VAL 265 Cb -0.17 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 3d7u s VAL 265 CO -0.04 0.32 -0.10 -0.89 0.00 0.00 0.00 175.10 174.39 3d7u s THR 266 N 0.63 1.13 0.54 3.92 2.01 0.24 -0.81 115.64 123.31 3d7u s THR 266 Ca 0.26 -1.99 -0.22 0.00 0.31 0.00 0.00 61.69 60.05 3d7u s THR 266 Cb -0.15 -1.77 -0.05 0.00 0.01 0.00 0.00 72.50 70.54 3d7u s THR 266 CO 0.10 -0.71 1.36 -1.83 -0.69 0.00 0.00 174.62 172.85 3d7u s GLU 267 N -3.59 3.18 0.18 4.92 -1.05 -0.71 -0.41 118.70 121.22 3d7u s GLU 267 Ca 0.15 2.25 -0.29 0.00 -0.15 0.00 0.00 54.97 56.92 3d7u s GLU 267 Cb 0.02 -2.28 -0.08 0.00 -0.44 0.00 0.00 34.13 31.35 3d7u s GLU 267 CO 0.00 -1.16 0.92 -0.47 0.95 0.00 0.00 175.26 175.51 3d7u s TYR 268 N -1.30 3.91 -0.44 4.83 5.04 -1.26 -4.32 117.35 123.80 3d7u s TYR 268 Ca 0.71 1.83 0.03 0.00 -2.44 0.00 0.00 57.07 57.20 3d7u s TYR 268 Cb -0.41 -2.98 0.12 0.00 0.35 0.00 0.00 41.96 39.04 3d7u s TYR 268 CO 0.48 0.36 0.18 -1.64 -1.34 0.00 0.00 175.55 173.60 3d7u s MET 269 N -0.69 1.82 0.49 4.97 -1.94 -1.26 -4.88 119.30 117.81 3d7u s MET 269 Ca 0.43 -2.24 0.28 0.00 -1.71 0.00 0.00 55.69 52.45 3d7u s MET 269 Cb -0.24 -3.33 1.35 0.00 2.01 0.00 0.00 34.83 34.62 3d7u s MET 269 CO 0.30 -1.04 1.84 0.00 -0.01 0.00 0.00 175.02 176.11 3d7u h ALA 270 N 7.14 2.68 -0.25 3.03 0.00 -1.85 -2.75 119.26 127.25 3d7u h ALA 270 Ca -0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3d7u h ALA 270 Cb 0.96 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3d7u h ALA 270 CO 0.62 -0.99 0.00 1.63 0.00 0.00 0.00 179.25 180.51 3d7u n LYS 271 N -4.37 1.69 -0.05 0.00 4.76 -0.30 -4.93 118.16 114.96 3d7u n LYS 271 Ca 0.22 -1.07 0.01 0.00 -2.87 0.00 0.00 58.31 54.60 3d7u n LYS 271 Cb 0.97 -1.29 -0.00 0.00 -1.84 0.00 0.00 35.03 32.87 3d7u n LYS 271 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3d7u n GLY 272 N 1.03 -1.43 3.72 0.72 0.00 -1.04 -4.51 105.19 103.69 3d7u n GLY 272 Ca 0.12 -1.17 -0.34 0.00 0.00 0.00 0.00 46.02 44.63 3d7u n GLY 272 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3d7u s SER 273 N -4.07 4.12 0.33 1.61 1.04 -1.26 -1.54 113.70 113.94 3d7u s SER 273 Ca 0.00 2.32 0.05 0.00 0.48 0.00 0.00 55.95 58.80 3d7u s SER 273 Cb 0.00 -2.58 0.60 0.00 0.10 0.00 0.00 66.02 64.13 3d7u s SER 273 CO 0.00 -2.31 1.85 0.25 0.98 0.00 0.00 173.24 174.01 3d7u h LEU 274 N -0.43 0.44 0.29 2.42 5.85 0.16 -1.95 115.31 122.09 3d7u h LEU 274 Ca -0.47 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.16 3d7u h LEU 274 Cb 1.29 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.17 3d7u h LEU 274 CO 0.49 0.56 -0.38 0.58 -0.34 0.00 0.00 178.44 179.35 3d7u h VAL 275 N 0.44 0.22 0.09 1.05 2.07 -1.75 -1.10 116.25 117.26 3d7u h VAL 275 Ca 0.09 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.60 3d7u h VAL 275 Cb 0.41 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 3d7u h VAL 275 CO 0.02 0.00 -0.04 0.44 0.02 0.00 0.00 177.57 178.01 3d7u h ASP 276 N -0.73 -0.10 -0.90 0.57 3.32 -1.86 -1.15 116.42 115.58 3d7u h ASP 276 Ca -0.01 -0.03 0.23 0.00 0.02 0.00 0.00 57.03 57.23 3d7u h ASP 276 Cb 0.68 0.03 -0.13 0.00 0.22 0.00 0.00 39.33 40.13 3d7u h ASP 276 CO -0.12 -0.03 0.38 0.22 -1.72 0.00 0.00 179.24 177.96 3d7u h TYR 277 N -0.16 0.61 0.01 4.55 3.20 -1.21 0.35 116.97 124.33 3d7u h TYR 277 Ca -0.01 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 3d7u h TYR 277 Cb 0.13 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.27 3d7u h TYR 277 CO -0.06 -0.08 -0.01 -0.07 -1.64 0.00 0.00 178.16 176.31 3d7u h LEU 278 N 0.37 -0.01 -0.31 2.82 3.38 -0.81 -2.73 115.31 118.01 3d7u h LEU 278 Ca 0.56 -0.36 0.01 0.00 0.09 0.00 0.00 57.88 58.18 3d7u h LEU 278 Cb 1.09 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 3d7u h LEU 278 CO -0.55 0.36 0.19 0.03 0.09 0.00 0.00 178.44 178.55 3d7u h ARG 279 N -0.39 0.37 0.15 1.13 3.08 0.20 0.23 114.38 119.16 3d7u h ARG 279 Ca -0.00 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 3d7u h ARG 279 Cb 0.38 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.34 3d7u h ARG 279 CO 0.00 0.25 -0.08 0.66 -1.07 0.00 0.00 179.97 179.73 3d7u h SER 280 N 0.38 -0.19 -0.24 7.04 4.64 -0.44 -3.30 113.55 121.44 3d7u h SER 280 Ca 0.12 0.01 -0.08 0.00 -0.47 0.00 0.00 61.79 61.37 3d7u h SER 280 Cb -0.01 0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.12 3d7u h SER 280 CO -0.05 -0.13 -0.11 0.03 -0.87 0.00 0.00 176.83 175.70 3d7u h ARG 281 N -0.21 0.64 0.00 4.77 3.08 -1.55 -3.49 114.38 117.62 3d7u h ARG 281 Ca -0.02 -0.20 0.18 0.00 0.07 0.00 0.00 59.98 60.01 3d7u h ARG 281 Cb 0.16 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.11 3d7u h ARG 281 CO 0.03 0.73 -0.23 0.41 -1.07 0.00 0.00 179.97 179.84 3d7u n GLY 282 N -0.55 -0.90 0.34 0.04 0.00 0.81 -3.63 105.19 101.30 3d7u n GLY 282 Ca 0.01 -0.57 0.32 0.00 0.00 0.00 0.00 46.02 45.78 3d7u n GLY 282 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3d7u h ARG 283 N 0.00 0.04 0.00 1.61 -0.00 -1.86 0.15 114.38 114.32 3d7u h ARG 283 Ca 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.99 3d7u h ARG 283 Cb 0.59 -0.01 0.00 0.00 -0.00 0.00 0.00 29.97 30.55 3d7u h ARG 283 CO 0.00 0.02 0.00 -1.13 -0.00 0.00 0.00 179.97 178.87 3d7u n SER 284 N -5.17 0.00 -0.01 0.08 3.41 -1.26 -4.06 113.62 106.61 3d7u n SER 284 Ca 0.38 0.18 -0.01 0.00 -0.26 0.00 0.00 58.87 59.15 3d7u n SER 284 Cb 1.29 -0.37 -0.01 0.00 -0.26 0.00 0.00 64.21 64.87 3d7u n SER 284 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3d7u n VAL 285 N -1.37 0.08 -2.73 -3.33 0.31 0.46 -5.00 118.33 106.75 3d7u n VAL 285 Ca 0.08 -0.02 -0.43 0.00 -0.01 0.00 0.00 64.34 63.96 3d7u n VAL 285 Cb 0.20 -1.05 -0.03 0.00 -0.91 0.00 0.00 33.84 32.04 3d7u n VAL 285 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3d7u s LEU 286 N -5.60 3.84 1.10 7.52 1.43 -0.75 -5.04 118.68 121.18 3d7u s LEU 286 Ca -0.02 0.05 -0.18 0.00 -1.03 0.00 0.00 54.13 52.95 3d7u s LEU 286 Cb 0.01 -3.15 0.26 0.00 0.03 0.00 0.00 46.19 43.33 3d7u s LEU 286 CO 0.03 -1.23 1.24 -0.83 0.23 0.00 0.00 176.35 175.78 3d7u s GLY 287 N 2.61 1.71 0.24 -3.19 0.00 -1.26 -4.78 107.32 102.65 3d7u s GLY 287 Ca 0.39 -1.17 -0.03 0.00 0.00 0.00 0.00 44.72 43.90 3d7u s GLY 287 CO 0.25 -0.30 1.74 -1.33 0.00 0.00 0.00 173.10 173.46 3d7u h GLY 288 N -2.17 0.93 1.00 0.20 0.00 -1.96 -2.60 103.07 98.47 3d7u h GLY 288 Ca -0.44 -0.62 -0.01 0.00 0.00 0.00 0.00 47.33 46.26 3d7u h GLY 288 CO 0.32 0.58 0.37 -0.55 0.00 0.00 0.00 176.54 177.27 3d7u h ASP 289 N 0.81 0.80 -0.11 0.19 3.45 -1.93 -0.33 116.42 119.31 3d7u h ASP 289 Ca 0.16 -0.08 0.01 0.00 0.43 0.00 0.00 57.03 57.54 3d7u h ASP 289 Cb 0.45 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 39.01 3d7u h ASP 289 CO 0.02 0.65 0.05 0.00 -1.57 0.00 0.00 179.24 178.39 3d7u h LEU 291 N 0.11 0.37 -0.76 0.00 3.38 -1.21 -1.09 115.31 116.12 3d7u h LEU 291 Ca 0.04 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 3d7u h LEU 291 Cb 0.01 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 3d7u h LEU 291 CO -0.03 0.27 -0.06 0.25 0.09 0.00 0.00 178.44 178.96 3d7u h LEU 292 N 0.43 0.87 -1.35 1.67 5.85 -0.83 -2.22 115.31 119.73 3d7u h LEU 292 Ca 0.12 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.59 3d7u h LEU 292 Cb -0.05 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.72 3d7u h LEU 292 CO -0.02 0.97 0.40 0.50 -0.34 0.00 0.00 178.44 179.94 3d7u h LYS 293 N 0.81 0.84 -0.42 1.25 1.63 0.06 -0.67 116.57 120.07 3d7u h LYS 293 Ca 0.14 -0.06 -0.12 0.00 -0.85 0.00 0.00 60.65 59.76 3d7u h LYS 293 Cb 0.56 -0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 32.00 3d7u h LYS 293 CO 0.03 0.57 -0.20 0.74 -3.45 0.00 0.00 179.45 177.15 3d7u h PHE 294 N 0.86 1.00 -0.62 1.91 0.05 -0.90 -1.61 116.94 117.64 3d7u h PHE 294 Ca 0.23 -0.25 -0.01 0.00 3.82 0.00 0.00 57.97 61.76 3d7u h PHE 294 Cb -0.07 -0.23 -0.03 0.00 2.00 0.00 0.00 35.95 37.62 3d7u h PHE 294 CO 0.00 1.03 0.35 0.77 -0.18 0.00 0.00 178.31 180.28 3d7u h SER 295 N 0.69 0.76 -0.59 2.17 0.02 -0.75 -1.36 113.55 114.49 3d7u h SER 295 Ca 0.09 -0.08 -0.10 0.00 -0.84 0.00 0.00 61.79 60.86 3d7u h SER 295 Cb 0.76 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.09 3d7u h SER 295 CO 0.06 0.62 -0.04 -0.07 -1.14 0.00 0.00 176.83 176.26 3d7u h LEU 296 N 0.83 1.06 0.17 5.07 3.38 -1.10 0.81 115.31 125.53 3d7u h LEU 296 Ca 0.22 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 57.88 3d7u h LEU 296 Cb 0.01 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 3d7u h LEU 296 CO -0.04 1.12 -0.24 0.44 0.09 0.00 0.00 178.44 179.81 3d7u h ASP 297 N 0.97 -0.68 -0.68 -0.43 3.32 -0.75 0.13 116.42 118.30 3d7u h ASP 297 Ca 0.16 0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.25 3d7u h ASP 297 Cb 0.60 0.25 -0.03 0.00 0.22 0.00 0.00 39.33 40.37 3d7u h ASP 297 CO 0.04 -0.34 0.30 0.58 -1.72 0.00 0.00 179.24 178.09 3d7u h VAL 298 N -0.48 1.23 -0.84 -1.35 2.07 -1.18 -2.33 116.25 113.37 3d7u h VAL 298 Ca 0.02 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 66.83 3d7u h VAL 298 Cb 0.48 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.64 3d7u h VAL 298 CO -0.11 0.28 0.51 0.00 0.02 0.00 0.00 177.57 178.27 3d7u h GLU 300 N 1.16 0.48 -0.43 0.00 5.08 -0.47 0.47 114.58 120.86 3d7u h GLU 300 Ca 0.30 -0.25 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 3d7u h GLU 300 Cb -0.05 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 3d7u h GLU 300 CO -0.06 0.82 0.19 0.00 -1.00 0.00 0.00 179.01 178.96 3d7u h ALA 301 N 1.15 0.56 -0.47 3.43 0.00 -0.84 -1.20 119.26 121.90 3d7u h ALA 301 Ca 0.03 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 3d7u h ALA 301 Cb 0.90 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 3d7u h ALA 301 CO 0.08 0.15 -0.09 0.52 0.00 0.00 0.00 179.25 179.91 3d7u h MET 302 N 0.56 0.85 -0.37 0.00 2.86 -0.74 -1.02 114.93 117.07 3d7u h MET 302 Ca 0.15 -0.28 -0.05 0.00 -2.06 0.00 0.00 59.70 57.45 3d7u h MET 302 Cb 0.17 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 3d7u h MET 302 CO -0.01 0.91 0.00 1.49 1.06 0.00 0.00 176.91 180.36 3d7u h GLU 303 N 0.77 0.57 -0.22 1.72 4.81 -0.55 0.06 114.58 121.74 3d7u h GLU 303 Ca 0.13 -0.13 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 3d7u h GLU 303 Cb 0.59 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 3d7u h GLU 303 CO 0.04 0.59 0.01 -0.92 -0.73 0.00 0.00 179.01 178.00 3d7u h TYR 304 N 0.55 0.40 -0.24 0.92 3.20 -0.70 0.11 116.97 121.21 3d7u h TYR 304 Ca 0.12 -0.07 -0.00 0.00 3.14 0.00 0.00 58.73 61.92 3d7u h TYR 304 Cb 0.34 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 3d7u h TYR 304 CO 0.01 0.55 0.14 -0.07 -1.64 0.00 0.00 178.16 177.15 3d7u h LEU 305 N 0.15 0.29 -0.96 2.82 3.38 -0.59 -1.48 115.31 118.92 3d7u h LEU 305 Ca 0.06 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.00 3d7u h LEU 305 Cb 0.38 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.00 3d7u h LEU 305 CO 0.01 0.27 0.62 -0.08 0.09 0.00 0.00 178.44 179.35 3d7u h GLU 306 N 0.29 1.18 0.00 1.13 4.81 -0.93 0.53 114.58 121.58 3d7u h GLU 306 Ca 0.08 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3d7u h GLU 306 Cb 0.03 -0.27 0.00 0.00 0.63 0.00 0.00 28.75 29.15 3d7u h GLU 306 CO -0.02 0.78 0.00 0.78 -0.73 0.00 0.00 179.01 179.83 3d7u h GLY 307 N 1.21 0.00 -1.67 1.92 0.00 -0.39 -1.66 103.07 102.49 3d7u h GLY 307 Ca 0.38 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.68 3d7u h GLY 307 CO -0.12 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.12 3d7u n ASN 308 N -2.73 3.75 -3.35 0.19 3.02 -0.24 -4.97 115.26 110.93 3d7u n ASN 308 Ca -0.00 -3.10 -0.24 0.00 -0.03 0.00 0.00 54.58 51.21 3d7u n ASN 308 Cb 0.19 -0.56 0.05 0.00 -0.61 0.00 0.00 39.78 38.85 3d7u n ASN 308 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3d7u n ASN 309 N -0.58 -6.03 -4.51 6.41 5.15 -0.62 -5.00 115.26 110.07 3d7u n ASN 309 Ca 0.23 -0.44 -0.30 0.00 -0.60 0.00 0.00 54.58 53.48 3d7u n ASN 309 Cb 0.92 -4.81 -0.11 0.00 -0.53 0.00 0.00 39.78 35.24 3d7u n ASN 309 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 3d7u s PHE 310 N -3.24 2.60 -0.13 1.20 0.40 0.01 -3.03 117.98 115.80 3d7u s PHE 310 Ca 0.46 -0.23 0.03 0.00 -0.60 0.00 0.00 56.93 56.59 3d7u s PHE 310 Cb -0.21 -1.39 0.01 0.00 0.51 0.00 0.00 43.02 41.95 3d7u s PHE 310 CO 0.56 0.39 -0.22 0.08 0.70 0.00 0.00 175.22 176.73 3d7u s VAL 311 N -1.14 2.04 0.08 -0.44 1.01 -0.18 -3.94 120.40 117.83 3d7u s VAL 311 Ca 0.19 -0.98 -0.13 0.00 0.00 0.00 0.00 61.98 61.07 3d7u s VAL 311 Cb -0.11 -1.79 -0.23 0.00 0.00 0.00 0.00 36.38 34.26 3d7u s VAL 311 CO 0.11 0.55 1.21 -0.74 0.00 0.00 0.00 175.10 176.22 3d7u h HIS 312 N 7.19 0.99 0.00 5.22 2.76 -1.86 -2.81 115.15 126.63 3d7u h HIS 312 Ca -0.29 -0.54 0.00 0.00 -2.20 0.00 0.00 60.37 57.34 3d7u h HIS 312 Cb 1.20 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 30.05 3d7u h HIS 312 CO 0.47 1.38 0.00 0.54 -1.30 0.00 0.00 177.93 179.02 3d7u n ARG 313 N -3.84 -0.79 -1.99 5.26 1.74 -1.26 -3.89 116.66 111.89 3d7u n ARG 313 Ca -0.10 0.19 -0.01 0.00 -0.77 0.00 0.00 57.85 57.16 3d7u n ARG 313 Cb 0.88 -4.60 0.03 0.00 -1.02 0.00 0.00 32.46 27.75 3d7u n ARG 313 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3d7u n ASP 314 N -0.34 0.18 -4.67 0.55 2.03 -1.26 -4.75 116.55 108.28 3d7u n ASP 314 Ca 0.00 -2.05 -0.43 0.00 0.52 0.00 0.00 54.79 52.83 3d7u n ASP 314 Cb 0.19 -0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.56 3d7u n ASP 314 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3d7u s LEU 315 N -1.90 4.22 0.10 -2.67 2.96 -1.26 -4.80 118.68 115.33 3d7u s LEU 315 Ca 0.19 1.77 -0.25 0.00 -0.22 0.00 0.00 54.13 55.61 3d7u s LEU 315 Cb 0.29 -3.54 0.08 0.00 0.50 0.00 0.00 46.19 43.52 3d7u s LEU 315 CO -0.09 -0.72 0.71 0.00 -1.32 0.00 0.00 176.35 174.93 3d7u s ALA 316 N 3.15 -1.68 0.54 5.97 0.00 -1.26 -4.76 121.76 123.71 3d7u s ALA 316 Ca 0.56 0.69 0.22 0.00 0.00 0.00 0.00 51.96 53.43 3d7u s ALA 316 Cb -0.23 0.71 1.40 0.00 0.00 0.00 0.00 23.12 25.00 3d7u s ALA 316 CO 0.18 -0.74 2.09 0.00 0.00 0.00 0.00 175.76 177.28 3d7u h ALA 317 N 2.00 2.15 -0.12 0.00 0.00 -1.93 -0.59 119.26 120.77 3d7u h ALA 317 Ca -0.29 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.50 3d7u h ALA 317 Cb 1.28 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 3d7u h ALA 317 CO 0.35 -0.30 -0.43 0.07 0.00 0.00 0.00 179.25 178.94 3d7u h ARG 318 N 0.00 0.26 -0.50 0.00 0.11 -1.95 -2.81 114.38 109.49 3d7u h ARG 318 Ca 0.11 -0.13 0.00 0.00 0.10 0.00 0.00 59.98 60.06 3d7u h ARG 318 Cb 0.47 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.55 3d7u h ARG 318 CO -0.00 0.65 0.00 0.09 0.10 0.00 0.00 179.97 180.81 3d7u n ASN 319 N -4.01 2.26 -4.23 0.08 3.02 -0.24 -4.65 115.26 107.48 3d7u n ASN 319 Ca -0.02 -2.14 -0.33 0.00 -0.03 0.00 0.00 54.58 52.06 3d7u n ASN 319 Cb 0.49 -0.35 -0.16 0.00 -0.61 0.00 0.00 39.78 39.16 3d7u n ASN 319 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3d7u s VAL 320 N -1.64 2.50 0.25 2.41 1.01 -1.08 -1.00 120.40 122.86 3d7u s VAL 320 Ca 0.23 -0.82 0.08 0.00 0.00 0.00 0.00 61.98 61.47 3d7u s VAL 320 Cb 0.14 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.44 3d7u s VAL 320 CO 0.13 0.52 0.15 -0.76 0.00 0.00 0.00 175.10 175.14 3d7u s LEU 321 N 0.87 3.68 -0.10 3.92 1.43 -0.31 0.16 118.68 128.33 3d7u s LEU 321 Ca -0.05 -0.33 0.04 0.00 -1.03 0.00 0.00 54.13 52.76 3d7u s LEU 321 Cb -0.15 -2.21 0.00 0.00 0.03 0.00 0.00 46.19 43.86 3d7u s LEU 321 CO -0.02 -0.03 -0.22 -0.69 0.23 0.00 0.00 176.35 175.62 3d7u s VAL 322 N -2.17 1.95 0.94 -1.59 1.01 -0.59 -0.44 120.40 119.52 3d7u s VAL 322 Ca 0.32 -0.95 -0.15 0.00 0.00 0.00 0.00 61.98 61.20 3d7u s VAL 322 Cb -0.08 -1.70 0.17 0.00 0.00 0.00 0.00 36.38 34.77 3d7u s VAL 322 CO 0.24 0.54 1.22 -0.94 0.00 0.00 0.00 175.10 176.16 3d7u s SER 323 N 0.42 3.28 0.45 3.32 1.04 -0.64 -1.15 113.70 120.43 3d7u s SER 323 Ca -0.18 0.58 0.14 0.00 0.48 0.00 0.00 55.95 56.98 3d7u s SER 323 Cb -0.18 -0.86 1.07 0.00 0.10 0.00 0.00 66.02 66.15 3d7u s SER 323 CO 0.08 -2.65 2.02 -0.08 0.98 0.00 0.00 173.24 173.58 3d7u h GLU 324 N -1.58 0.32 -1.48 4.02 4.57 -1.91 -2.20 114.58 116.33 3d7u h GLU 324 Ca -0.46 -0.02 -0.66 0.00 -1.18 0.00 0.00 59.36 57.04 3d7u h GLU 324 Cb 1.29 -0.07 -0.35 0.00 -0.16 0.00 0.00 28.75 29.46 3d7u h GLU 324 CO 0.49 0.21 0.18 -0.40 -1.18 0.00 0.00 179.01 178.32 3d7u n ASP 325 N -4.47 6.27 -2.25 1.04 5.68 -1.26 -4.95 116.55 116.62 3d7u n ASP 325 Ca 0.07 -3.78 -0.18 0.00 -0.50 0.00 0.00 54.79 50.40 3d7u n ASP 325 Cb 0.31 -0.75 -0.02 0.00 -1.14 0.00 0.00 41.12 39.52 3d7u n ASP 325 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3d7u n ASN 326 N -0.61 -5.10 -4.62 -1.12 3.02 -0.83 -5.00 115.26 101.00 3d7u n ASN 326 Ca 0.49 0.13 -0.39 0.00 -0.03 0.00 0.00 54.58 54.78 3d7u n ASN 326 Cb 0.56 -4.32 -0.09 0.00 -0.61 0.00 0.00 39.78 35.32 3d7u n ASN 326 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3d7u s VAL 327 N -2.82 5.17 0.10 2.41 1.01 -1.26 -4.83 120.40 120.18 3d7u s VAL 327 Ca 0.00 0.63 -0.28 0.00 0.00 0.00 0.00 61.98 62.33 3d7u s VAL 327 Cb 0.00 -3.72 -0.06 0.00 0.00 0.00 0.00 36.38 32.60 3d7u s VAL 327 CO 0.00 0.17 0.90 0.00 0.00 0.00 0.00 175.10 176.17 3d7u s ALA 328 N 1.94 3.29 -0.00 5.51 0.00 -1.26 -1.62 121.76 129.62 3d7u s ALA 328 Ca 0.16 0.49 0.01 0.00 0.00 0.00 0.00 51.96 52.63 3d7u s ALA 328 Cb -0.16 -3.19 -0.00 0.00 0.00 0.00 0.00 23.12 19.77 3d7u s ALA 328 CO 0.09 0.02 -0.04 0.15 0.00 0.00 0.00 175.76 175.97 3d7u s LYS 329 N -0.09 0.38 0.41 0.00 1.02 0.42 -4.60 119.74 117.29 3d7u s LYS 329 Ca 0.44 -0.16 -0.24 0.00 0.02 0.00 0.00 55.97 56.03 3d7u s LYS 329 Cb -0.23 -0.37 -0.08 0.00 -0.52 0.00 0.00 37.83 36.63 3d7u s LYS 329 CO 0.28 0.09 1.11 0.08 -0.92 0.00 0.00 175.35 175.99 3d7u s VAL 330 N -0.06 3.41 0.00 3.17 1.01 -0.26 -1.16 120.40 126.51 3d7u s VAL 330 Ca 0.01 1.10 0.00 0.00 0.00 0.00 0.00 61.98 63.09 3d7u s VAL 330 Cb -0.02 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.78 3d7u s VAL 330 CO -0.00 0.03 0.00 -1.54 0.00 0.00 0.00 175.10 173.59 3d7u n SER 331 N -0.14 0.03 -3.19 3.32 3.41 -0.17 -1.13 113.62 115.75 3d7u n SER 331 Ca 0.05 -0.78 -0.13 0.00 -0.26 0.00 0.00 58.87 57.75 3d7u n SER 331 Cb 0.48 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.44 3d7u n SER 331 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3d7u n ASP 332 N -2.33 -6.98 -1.55 4.04 -0.08 -1.26 -4.86 116.55 103.53 3d7u n ASP 332 Ca 0.00 -0.05 -0.03 0.00 -1.51 0.00 0.00 54.79 53.20 3d7u n ASP 332 Cb 0.00 -4.14 0.20 0.00 2.34 0.00 0.00 41.12 39.53 3d7u n ASP 332 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 3d7u n PHE 333 N -1.20 1.59 -0.04 -0.67 3.01 -1.26 -4.55 117.46 114.34 3d7u n PHE 333 Ca -0.03 -0.82 -0.08 0.00 1.01 0.00 0.00 57.45 57.53 3d7u n PHE 333 Cb 0.55 -0.50 -0.02 0.00 -0.01 0.00 0.00 39.48 39.51 3d7u n PHE 333 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 3d7u h GLY 334 N 3.48 -0.04 -0.03 1.37 0.00 -1.92 -2.14 103.07 103.79 3d7u h GLY 334 Ca 0.16 0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.71 3d7u h GLY 334 CO 0.47 -0.17 0.00 1.04 0.00 0.00 0.00 176.54 177.88 3d7u n LEU 335 N -5.34 0.51 -4.65 3.11 4.77 -1.26 -4.72 117.00 109.42 3d7u n LEU 335 Ca -0.01 -0.23 -0.43 0.00 -0.03 0.00 0.00 56.01 55.31 3d7u n LEU 335 Cb 0.25 -0.04 -0.02 0.00 -2.33 0.00 0.00 43.42 41.27 3d7u n LEU 335 CO 0.17 0.11 1.14 -0.89 -1.33 0.00 0.00 177.39 176.59 3d7u s THR 336 N -1.91 4.15 0.09 -5.08 2.01 -0.81 -4.63 115.64 109.46 3d7u s THR 336 Ca 0.21 1.37 -0.05 0.00 0.31 0.00 0.00 61.69 63.52 3d7u s THR 336 Cb 0.10 -3.98 -0.02 0.00 0.01 0.00 0.00 72.50 68.61 3d7u s THR 336 CO 0.16 -0.23 0.11 -0.54 -0.69 0.00 0.00 174.62 173.43 3d7u s LYS 337 N 3.80 0.80 0.91 4.92 1.02 -1.06 -4.96 119.74 125.16 3d7u s LYS 337 Ca 0.58 -1.12 -0.11 0.00 0.02 0.00 0.00 55.97 55.34 3d7u s LYS 337 Cb -0.21 0.29 0.14 0.00 -0.52 0.00 0.00 37.83 37.52 3d7u s LYS 337 CO 0.19 -0.23 1.11 -1.21 -0.92 0.00 0.00 175.35 174.29 3d7u s GLU 338 N -3.91 1.13 -0.80 1.68 8.01 -1.26 -1.01 118.70 122.54 3d7u s GLU 338 Ca 0.09 1.22 -0.14 0.00 0.01 0.00 0.00 54.97 56.15 3d7u s GLU 338 Cb 0.06 -1.76 -0.24 0.00 -4.31 0.00 0.00 34.13 27.88 3d7u s GLU 338 CO -0.08 -2.45 1.88 0.00 0.01 0.00 0.00 175.26 174.62 3d7u n ALA 339 N -4.07 0.65 -0.19 5.21 0.00 -1.17 -4.71 120.51 116.23 3d7u n ALA 339 Ca 0.09 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.04 3d7u n ALA 339 Cb 0.53 -1.87 0.00 0.00 0.00 0.00 0.00 19.45 18.11 3d7u n ALA 339 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3d7u n SER 340 N 5.88 0.00 -4.82 0.00 7.64 -1.24 -5.00 113.62 116.07 3d7u n SER 340 Ca 0.54 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 60.07 3d7u n SER 340 Cb 0.08 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.22 3d7u n SER 340 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 3d7u s LYS 347 N 0.00 4.19 -0.05 1.43 2.36 -1.26 -4.96 119.74 121.45 3d7u s LYS 347 Ca 0.00 0.82 -0.19 0.00 -2.55 0.00 0.00 55.97 54.06 3d7u s LYS 347 Cb 0.00 -2.74 -0.05 0.00 -1.05 0.00 0.00 37.83 33.99 3d7u s LYS 347 CO 0.00 0.32 0.53 -0.51 1.55 0.00 0.00 175.35 177.23 3d7u s LEU 348 N -2.29 4.37 -0.33 5.43 1.43 -1.26 -5.01 118.68 121.01 3d7u s LEU 348 Ca 0.47 1.00 -0.28 0.00 -1.03 0.00 0.00 54.13 54.29 3d7u s LEU 348 Cb -0.15 -2.79 -0.04 0.00 0.03 0.00 0.00 46.19 43.24 3d7u s LEU 348 CO 0.20 0.09 2.06 -2.16 0.23 0.00 0.00 176.35 176.77 3d7u s PRO 349 N 0.02 3.00 0.25 1.29 0.04 -1.26 -4.88 135.00 133.46 3d7u s PRO 349 Ca 0.28 1.59 -0.05 0.00 0.04 0.00 0.00 61.00 62.86 3d7u s PRO 349 Cb -0.17 -4.34 0.48 0.00 0.04 0.00 0.00 34.50 30.51 3d7u s PRO 349 CO 0.14 -2.25 1.64 0.28 0.04 0.00 0.00 177.00 176.85 3d7u h VAL 350 N 7.08 0.34 0.00 -0.36 2.07 -1.95 -0.13 116.25 123.30 3d7u h VAL 350 Ca -0.34 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.13 3d7u h VAL 350 Cb 1.21 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 3d7u h VAL 350 CO 1.04 0.02 0.00 0.29 0.02 0.00 0.00 177.57 178.94 3d7u n LYS 351 N -5.32 0.13 -0.00 1.57 5.02 -1.26 -2.77 118.16 115.53 3d7u n LYS 351 Ca 0.15 0.45 0.04 0.00 -2.02 0.00 0.00 58.31 56.93 3d7u n LYS 351 Cb 0.51 -1.80 -0.05 0.00 -0.02 0.00 0.00 35.03 33.67 3d7u n LYS 351 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 3d7u n TRP 352 N -2.06 0.00 -3.31 2.13 8.01 -0.20 -4.97 117.44 117.03 3d7u n TRP 352 Ca 0.01 0.00 -0.38 0.00 -1.31 0.00 0.00 57.50 55.82 3d7u n TRP 352 Cb 0.15 -0.07 -0.06 0.00 -2.01 0.00 0.00 31.31 29.33 3d7u n TRP 352 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.69 177.67 3d7u s THR 353 N -2.01 4.79 0.49 -0.99 2.01 -0.39 -3.85 115.64 115.69 3d7u s THR 353 Ca 0.01 1.14 -0.22 0.00 0.31 0.00 0.00 61.69 62.92 3d7u s THR 353 Cb 0.05 -3.86 -0.06 0.00 0.01 0.00 0.00 72.50 68.64 3d7u s THR 353 CO 0.30 0.53 1.22 0.00 -0.69 0.00 0.00 174.62 175.98 3d7u s ALA 354 N -1.14 2.90 0.15 7.40 0.00 -1.26 -4.85 121.76 124.96 3d7u s ALA 354 Ca 0.29 1.04 -0.25 0.00 0.00 0.00 0.00 51.96 53.03 3d7u s ALA 354 Cb -0.19 -3.43 0.01 0.00 0.00 0.00 0.00 23.12 19.51 3d7u s ALA 354 CO 0.18 -0.87 1.60 -1.35 0.00 0.00 0.00 175.76 175.32 3d7u h PRO 355 N 1.81 -0.33 -0.67 0.00 0.11 -1.96 -0.32 132.00 130.63 3d7u h PRO 355 Ca -0.50 0.02 0.10 0.00 0.11 0.00 0.00 66.00 65.74 3d7u h PRO 355 Cb 1.26 0.08 -0.04 0.00 0.11 0.00 0.00 31.00 32.41 3d7u h PRO 355 CO 0.59 -0.22 0.45 0.93 -0.21 0.00 0.00 178.00 179.54 3d7u h GLU 356 N -0.34 0.50 -0.29 1.05 3.07 -1.92 -2.17 114.58 114.48 3d7u h GLU 356 Ca 0.13 -0.03 -0.04 0.00 -0.50 0.00 0.00 59.36 58.91 3d7u h GLU 356 Cb 0.56 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.34 3d7u h GLU 356 CO -0.46 0.33 0.00 0.00 -1.40 0.00 0.00 179.01 177.49 3d7u h ALA 357 N 1.66 0.39 -0.18 3.43 0.00 -1.35 0.77 119.26 123.98 3d7u h ALA 357 Ca 0.31 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 3d7u h ALA 357 Cb 0.53 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3d7u h ALA 357 CO -0.10 0.13 -0.14 -0.07 0.00 0.00 0.00 179.25 179.07 3d7u h LEU 358 N 0.30 0.28 0.00 0.00 3.38 -0.86 -3.30 115.31 115.10 3d7u h LEU 358 Ca 0.08 -0.06 -0.15 0.00 0.09 0.00 0.00 57.88 57.84 3d7u h LEU 358 Cb 0.42 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 3d7u h LEU 358 CO 0.01 0.45 -0.85 -0.09 0.09 0.00 0.00 178.44 178.05 3d7u h ARG 359 N 0.28 0.00 -7.18 1.13 2.43 -1.24 -3.47 114.38 106.33 3d7u h ARG 359 Ca 0.05 0.00 -0.49 0.00 -0.81 0.00 0.00 59.98 58.74 3d7u h ARG 359 Cb 0.42 0.00 0.05 0.00 -0.42 0.00 0.00 29.97 30.02 3d7u h ARG 359 CO 0.02 0.92 0.38 -1.21 -1.51 0.00 0.00 179.97 178.57 3d7u s GLU 360 N -2.30 3.49 0.05 0.20 2.02 0.27 -4.96 118.70 117.47 3d7u s GLU 360 Ca -0.25 1.19 0.27 0.00 0.02 0.00 0.00 54.97 56.20 3d7u s GLU 360 Cb 0.03 -2.06 0.87 0.00 0.10 0.00 0.00 34.13 33.08 3d7u s GLU 360 CO 0.58 -0.67 1.70 0.36 0.02 0.00 0.00 175.26 177.25 3d7u n LYS 361 N -1.79 0.08 -4.24 1.61 2.85 -1.26 -4.72 118.16 110.69 3d7u n LYS 361 Ca 0.08 0.04 -0.33 0.00 -1.05 0.00 0.00 58.31 57.06 3d7u n LYS 361 Cb 0.53 -1.57 -0.08 0.00 -0.65 0.00 0.00 35.03 33.26 3d7u n LYS 361 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 3d7u s LYS 362 N -3.04 2.90 0.22 -1.58 1.02 -1.26 -5.07 119.74 112.94 3d7u s LYS 362 Ca 0.12 -0.54 0.08 0.00 0.02 0.00 0.00 55.97 55.65 3d7u s LYS 362 Cb 0.17 -2.75 -0.04 0.00 -0.52 0.00 0.00 37.83 34.69 3d7u s LYS 362 CO 0.61 0.64 0.02 0.12 -0.92 0.00 0.00 175.35 175.82 3d7u s PHE 363 N -1.09 2.81 0.19 3.18 5.36 -1.26 -4.68 117.98 122.49 3d7u s PHE 363 Ca 0.20 -0.17 -0.12 0.00 -0.96 0.00 0.00 56.93 55.87 3d7u s PHE 363 Cb -0.12 -1.30 0.00 0.00 -0.34 0.00 0.00 43.02 41.26 3d7u s PHE 363 CO 0.10 0.56 0.39 -1.54 -1.46 0.00 0.00 175.22 173.27 3d7u s SER 364 N -3.34 -0.08 0.47 6.13 1.04 -1.26 -3.70 113.70 112.96 3d7u s SER 364 Ca 0.30 -0.75 0.25 0.00 0.48 0.00 0.00 55.95 56.23 3d7u s SER 364 Cb -0.08 0.51 1.29 0.00 0.10 0.00 0.00 66.02 67.83 3d7u s SER 364 CO 0.20 -0.98 1.85 0.74 0.98 0.00 0.00 173.24 176.02 3d7u h THR 365 N 2.38 0.58 0.00 2.02 2.02 -1.99 0.32 112.91 118.24 3d7u h THR 365 Ca -0.30 -0.07 -0.03 0.00 0.77 0.00 0.00 66.41 66.78 3d7u h THR 365 Cb 1.24 0.35 -0.00 0.00 -1.74 0.00 0.00 68.15 68.00 3d7u h THR 365 CO 0.43 0.04 -0.13 0.11 0.37 0.00 0.00 175.52 176.34 3d7u h LYS 366 N 0.21 0.00 0.02 6.66 1.79 -1.93 0.19 116.57 123.51 3d7u h LYS 366 Ca 0.48 0.00 -0.22 0.00 -2.18 0.00 0.00 60.65 58.73 3d7u h LYS 366 Cb 1.54 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 32.18 3d7u h LYS 366 CO -0.12 0.13 -0.96 0.77 -1.08 0.00 0.00 179.45 178.20 3d7u h SER 367 N 0.00 0.44 -0.55 0.86 0.02 -0.76 -2.11 113.55 111.45 3d7u h SER 367 Ca -0.00 -0.36 -0.01 0.00 -0.84 0.00 0.00 61.79 60.57 3d7u h SER 367 Cb 0.27 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.65 3d7u h SER 367 CO 0.02 1.18 0.30 0.44 -1.14 0.00 0.00 176.83 177.62 3d7u h ASP 368 N 0.18 0.68 -0.78 3.07 3.32 -0.72 -0.37 116.42 121.80 3d7u h ASP 368 Ca -0.07 -0.09 0.04 0.00 0.02 0.00 0.00 57.03 56.92 3d7u h ASP 368 Cb 1.60 -0.17 -0.05 0.00 0.22 0.00 0.00 39.33 40.93 3d7u h ASP 368 CO 0.16 0.58 0.49 0.58 -1.72 0.00 0.00 179.24 179.33 3d7u h VAL 369 N 0.73 1.10 -0.27 -1.35 2.07 -0.58 0.20 116.25 118.15 3d7u h VAL 369 Ca 0.19 -0.32 0.04 0.00 0.82 0.00 0.00 66.70 67.43 3d7u h VAL 369 Cb 0.04 0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 29.84 3d7u h VAL 369 CO -0.03 0.17 0.03 -0.25 0.02 0.00 0.00 177.57 177.51 3d7u h TRP 370 N 0.95 0.04 -0.61 1.57 2.91 -0.65 -0.18 115.95 119.98 3d7u h TRP 370 Ca 0.32 0.02 0.01 0.00 1.13 0.00 0.00 58.89 60.36 3d7u h TRP 370 Cb 0.04 0.02 -0.03 0.00 -0.51 0.00 0.00 29.16 28.69 3d7u h TRP 370 CO -0.03 -0.01 0.40 0.77 -1.03 0.00 0.00 178.44 178.54 3d7u h SER 371 N 0.12 0.71 -0.58 2.65 0.02 0.38 -0.55 113.55 116.29 3d7u h SER 371 Ca 0.12 -0.02 0.01 0.00 -0.84 0.00 0.00 61.79 61.07 3d7u h SER 371 Cb 0.14 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.48 3d7u h SER 371 CO -0.18 0.51 0.38 0.15 -1.14 0.00 0.00 176.83 176.55 3d7u h PHE 372 N 0.83 0.72 -0.41 3.45 3.57 0.66 0.16 116.94 125.92 3d7u h PHE 372 Ca 0.22 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.81 3d7u h PHE 372 Cb -0.09 -0.24 -0.06 0.00 2.79 0.00 0.00 35.95 38.35 3d7u h PHE 372 CO 0.00 0.44 0.06 0.78 -2.23 0.00 0.00 178.31 177.36 3d7u h GLY 373 N 0.77 0.47 1.00 2.40 0.00 0.49 0.23 103.07 108.43 3d7u h GLY 373 Ca 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.55 3d7u h GLY 373 CO -0.06 -0.06 0.25 -2.22 0.00 0.00 0.00 176.54 174.45 3d7u h ILE 374 N 0.19 1.10 -0.57 2.60 1.08 -0.57 -2.55 117.51 118.79 3d7u h ILE 374 Ca 0.20 -0.20 0.04 0.00 -0.39 0.00 0.00 64.86 64.51 3d7u h ILE 374 Cb 0.26 0.56 -0.05 0.00 -3.07 0.00 0.00 36.82 34.52 3d7u h ILE 374 CO -0.28 0.10 0.31 0.25 -0.69 0.00 0.00 178.15 177.84 3d7u h LEU 375 N 0.51 0.47 -0.49 1.44 6.46 0.08 -1.17 115.31 122.62 3d7u h LEU 375 Ca 0.14 0.02 0.06 0.00 -0.12 0.00 0.00 57.88 57.98 3d7u h LEU 375 Cb -0.05 -0.07 -0.05 0.00 -0.73 0.00 0.00 40.66 39.76 3d7u h LEU 375 CO -0.03 0.32 0.20 -0.07 -0.62 0.00 0.00 178.44 178.24 3d7u h LEU 376 N 0.60 0.24 -0.91 2.25 3.38 -0.76 0.29 115.31 120.40 3d7u h LEU 376 Ca 0.25 0.05 0.10 0.00 0.09 0.00 0.00 57.88 58.36 3d7u h LEU 376 Cb 0.12 0.01 -0.08 0.00 0.09 0.00 0.00 40.66 40.80 3d7u h LEU 376 CO -0.15 0.17 0.55 -0.25 0.09 0.00 0.00 178.44 178.85 3d7u h TRP 377 N 0.40 1.00 -0.41 1.13 7.01 -0.94 0.11 115.95 124.24 3d7u h TRP 377 Ca 0.23 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.24 3d7u h TRP 377 Cb 0.20 -0.31 -0.02 0.00 -2.10 0.00 0.00 29.16 26.93 3d7u h TRP 377 CO -0.14 0.41 0.18 0.93 -2.79 0.00 0.00 178.44 177.04 3d7u h GLU 378 N 0.90 0.61 0.54 2.65 5.08 0.34 -1.39 114.58 123.31 3d7u h GLU 378 Ca 0.44 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.68 3d7u h GLU 378 Cb 0.39 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 3d7u h GLU 378 CO -0.25 0.55 -0.37 0.82 -1.00 0.00 0.00 179.01 178.77 3d7u h ILE 379 N 0.53 0.24 0.00 3.13 2.04 0.15 -1.56 117.51 122.03 3d7u h ILE 379 Ca 0.14 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.00 3d7u h ILE 379 Cb 0.16 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 36.48 3d7u h ILE 379 CO -0.01 0.00 0.00 -1.22 0.00 0.00 0.00 178.15 176.92 3d7u n TYR 380 N -5.50 0.00 0.69 1.37 4.02 0.18 -1.43 117.16 116.49 3d7u n TYR 380 Ca -0.12 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 57.85 3d7u n TYR 380 Cb 0.39 0.00 0.04 0.00 -0.02 0.00 0.00 39.34 39.75 3d7u n TYR 380 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 3d7u n SER 381 N -0.98 2.00 -3.15 7.72 7.64 -0.53 -4.59 113.62 121.72 3d7u n SER 381 Ca 0.14 -1.50 -0.19 0.00 1.01 0.00 0.00 58.87 58.33 3d7u n SER 381 Cb 0.06 0.22 0.07 0.00 -1.01 0.00 0.00 64.21 63.56 3d7u n SER 381 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3d7u n PHE 382 N 0.43 -2.28 0.00 1.43 3.01 -0.51 -3.14 117.46 116.39 3d7u n PHE 382 Ca 0.08 0.86 0.00 0.00 1.01 0.00 0.00 57.45 59.40 3d7u n PHE 382 Cb 0.37 -4.57 0.00 0.00 -0.01 0.00 0.00 39.48 35.27 3d7u n PHE 382 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3d7u n GLY 383 N -1.56 1.06 3.58 1.37 0.00 -0.73 -3.37 105.19 105.54 3d7u n GLY 383 Ca -0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 3d7u n GLY 383 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3d7u n ARG 384 N -2.00 0.88 -2.76 1.61 0.63 -1.19 -4.92 116.66 108.91 3d7u n ARG 384 Ca 0.00 0.33 -0.41 0.00 -0.92 0.00 0.00 57.85 56.86 3d7u n ARG 384 Cb 0.00 -2.03 -0.05 0.00 0.45 0.00 0.00 32.46 30.83 3d7u n ARG 384 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3d7u s VAL 385 N -1.52 4.44 0.68 5.15 1.01 -1.26 -4.74 120.40 124.16 3d7u s VAL 385 Ca 0.72 2.03 -0.17 0.00 0.00 0.00 0.00 61.98 64.56 3d7u s VAL 385 Cb -0.45 -4.30 -0.05 0.00 0.00 0.00 0.00 36.38 31.58 3d7u s VAL 385 CO 0.50 0.36 0.51 -2.65 0.00 0.00 0.00 175.10 173.82 3d7u n PRO 386 N 2.53 0.35 -3.85 2.72 -0.02 -1.26 -3.60 135.00 131.87 3d7u n PRO 386 Ca 0.01 0.16 -0.33 0.00 -2.02 0.00 0.00 63.50 61.31 3d7u n PRO 386 Cb 0.49 -1.78 0.02 0.00 -0.02 0.00 0.00 33.50 32.21 3d7u n PRO 386 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3d7u n TYR 387 N -2.19 -1.81 -0.04 6.00 4.02 -1.26 -4.90 117.16 116.98 3d7u n TYR 387 Ca 0.10 0.47 -0.09 0.00 -0.01 0.00 0.00 57.90 58.37 3d7u n TYR 387 Cb 0.49 -2.97 -0.03 0.00 -0.02 0.00 0.00 39.34 36.81 3d7u n TYR 387 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 3d7u h PRO 388 N -1.48 -0.29 -2.43 -0.72 0.11 -1.99 -3.28 132.00 121.91 3d7u h PRO 388 Ca -0.64 0.02 -0.71 0.00 0.11 0.00 0.00 66.00 64.79 3d7u h PRO 388 Cb 1.37 0.07 -0.34 0.00 0.11 0.00 0.00 31.00 32.20 3d7u h PRO 388 CO 0.44 -0.19 0.19 0.54 -0.21 0.00 0.00 178.00 178.77 3d7u n ARG 389 N -5.39 3.98 -3.63 1.05 1.74 -1.26 -4.96 116.66 108.19 3d7u n ARG 389 Ca -0.01 -4.69 -0.15 0.00 -0.77 0.00 0.00 57.85 52.23 3d7u n ARG 389 Cb 0.31 -2.38 -0.07 0.00 -1.02 0.00 0.00 32.46 29.30 3d7u n ARG 389 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3d7u s ILE 390 N -3.50 0.00 0.20 0.55 1.01 -1.24 -5.15 121.20 113.07 3d7u s ILE 390 Ca 0.39 -0.01 -0.30 0.00 0.00 0.00 0.00 60.65 60.73 3d7u s ILE 390 Cb 0.16 -0.93 -0.08 0.00 0.01 0.00 0.00 42.46 41.62 3d7u s ILE 390 CO -0.04 -0.01 1.04 -2.84 0.00 0.00 0.00 174.94 173.09 3d7u s PRO 391 N 0.05 4.69 0.13 2.79 0.02 -1.26 -4.89 135.00 136.53 3d7u s PRO 391 Ca -0.02 1.63 0.04 0.00 0.02 0.00 0.00 61.00 62.67 3d7u s PRO 391 Cb -0.04 -3.28 0.23 0.00 0.02 0.00 0.00 34.50 31.44 3d7u s PRO 391 CO 0.03 0.24 0.92 -0.11 -0.33 0.00 0.00 177.00 177.75 3d7u n LEU 392 N 1.97 0.11 -1.06 -5.54 7.94 -1.26 0.65 117.00 119.80 3d7u n LEU 392 Ca 0.01 0.34 0.12 0.00 -1.11 0.00 0.00 56.01 55.37 3d7u n LEU 392 Cb 0.47 -0.30 0.21 0.00 0.53 0.00 0.00 43.42 44.32 3d7u n LEU 392 CO 0.52 -0.38 0.70 0.29 -1.11 0.00 0.00 177.39 177.41 3d7u n LYS 393 N -1.55 2.41 -0.02 1.96 5.02 -1.26 -4.17 118.16 120.54 3d7u n LYS 393 Ca -0.00 -2.11 -0.00 0.00 -2.02 0.00 0.00 58.31 54.17 3d7u n LYS 393 Cb 0.32 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.78 3d7u n LYS 393 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3d7u n ASP 394 N 1.36 3.38 0.00 4.39 9.92 0.21 -4.76 116.55 131.05 3d7u n ASP 394 Ca 0.18 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.44 3d7u n ASP 394 Cb 0.58 0.93 0.00 0.00 -0.64 0.00 0.00 41.12 41.99 3d7u n ASP 394 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 3d7u n VAL 395 N -2.04 0.00 -0.18 2.53 0.31 -1.18 0.67 118.33 118.44 3d7u n VAL 395 Ca -0.07 1.12 -0.00 0.00 -0.01 0.00 0.00 64.34 65.38 3d7u n VAL 395 Cb 0.50 -1.61 0.08 0.00 -0.91 0.00 0.00 33.84 31.91 3d7u n VAL 395 CO 0.00 0.00 0.00 1.62 -1.32 0.00 0.00 176.83 177.13 3d7u h VAL 396 N 0.00 0.55 -0.59 2.52 3.04 -1.88 0.61 116.25 120.51 3d7u h VAL 396 Ca 0.00 -0.04 -0.08 0.00 -1.01 0.00 0.00 66.70 65.56 3d7u h VAL 396 Cb 0.00 0.41 -0.02 0.00 -2.01 0.00 0.00 31.29 29.67 3d7u h VAL 396 CO 0.00 0.02 0.04 1.55 -1.01 0.00 0.00 177.57 178.18 3d7u h PRO 397 N 0.13 0.99 0.19 4.17 0.13 -1.75 0.12 132.00 135.97 3d7u h PRO 397 Ca 0.29 -0.28 -0.01 0.00 -0.87 0.00 0.00 66.00 65.14 3d7u h PRO 397 Cb 0.46 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.48 3d7u h PRO 397 CO -0.47 0.94 -0.09 0.00 -0.23 0.00 0.00 178.00 178.15 3d7u h ARG 398 N 0.92 -0.25 -0.42 0.86 2.47 0.14 -1.77 114.38 116.33 3d7u h ARG 398 Ca 0.18 0.02 0.09 0.00 -1.26 0.00 0.00 59.98 59.00 3d7u h ARG 398 Cb 0.48 0.06 -0.09 0.00 -1.65 0.00 0.00 29.97 28.76 3d7u h ARG 398 CO 0.02 0.02 -0.19 0.28 0.56 0.00 0.00 179.97 180.66 3d7u h VAL 399 N -0.50 0.43 0.00 2.04 2.07 0.31 0.34 116.25 120.95 3d7u h VAL 399 Ca -0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.49 3d7u h VAL 399 Cb 0.38 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 3d7u h VAL 399 CO 0.04 0.00 0.00 -0.33 0.02 0.00 0.00 177.57 177.30 3d7u h GLU 400 N -0.10 0.00 -0.77 1.57 5.08 -0.72 0.41 114.58 120.05 3d7u h GLU 400 Ca 0.20 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.51 3d7u h GLU 400 Cb 0.42 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 3d7u h GLU 400 CO -0.49 0.00 0.07 1.63 -1.00 0.00 0.00 179.01 179.22 3d7u n LYS 401 N -2.78 3.31 -0.78 2.33 5.02 0.11 -4.88 118.16 120.49 3d7u n LYS 401 Ca -0.01 -2.07 0.00 0.00 -2.02 0.00 0.00 58.31 54.21 3d7u n LYS 401 Cb 0.17 -1.97 0.00 0.00 -0.02 0.00 0.00 35.03 33.21 3d7u n LYS 401 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3d7u n GLY 402 N 0.26 0.82 3.74 0.72 0.00 0.14 -5.01 105.19 105.86 3d7u n GLY 402 Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 3d7u n GLY 402 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3d7u s TYR 403 N -3.17 2.23 -0.17 1.61 5.04 -0.47 -4.95 117.35 117.48 3d7u s TYR 403 Ca 0.00 1.48 -0.11 0.00 -2.44 0.00 0.00 57.07 56.01 3d7u s TYR 403 Cb 0.00 -3.63 0.05 0.00 0.35 0.00 0.00 41.96 38.74 3d7u s TYR 403 CO 0.00 -2.64 0.41 0.15 -1.34 0.00 0.00 175.55 172.13 3d7u s LYS 404 N -3.29 0.42 0.83 4.97 1.02 -1.26 -4.48 119.74 117.94 3d7u s LYS 404 Ca 0.79 0.72 -0.14 0.00 0.02 0.00 0.00 55.97 57.37 3d7u s LYS 404 Cb -0.35 0.05 0.05 0.00 -0.52 0.00 0.00 37.83 37.06 3d7u s LYS 404 CO 0.38 -0.13 0.88 -1.33 -0.92 0.00 0.00 175.35 174.23 3d7u n MET 405 N 3.83 0.06 -2.94 1.68 2.81 -1.26 -4.97 117.12 116.34 3d7u n MET 405 Ca -0.20 0.08 -0.33 0.00 -1.81 0.00 0.00 57.70 55.44 3d7u n MET 405 Cb 0.56 -2.18 -0.06 0.00 -0.71 0.00 0.00 33.22 30.83 3d7u n MET 405 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3d7u s ASP 406 N -1.99 6.85 0.23 7.83 1.01 -1.26 -4.98 116.67 124.36 3d7u s ASP 406 Ca 0.68 1.51 -0.32 0.00 0.71 0.00 0.00 52.55 55.13 3d7u s ASP 406 Cb -0.28 -2.47 -0.14 0.00 1.01 0.00 0.00 42.92 41.04 3d7u s ASP 406 CO 0.56 -0.31 1.41 0.00 0.21 0.00 0.00 175.17 177.04 3d7u n ALA 407 N -0.57 0.99 -0.43 5.23 0.00 -1.26 -4.92 120.51 119.55 3d7u n ALA 407 Ca 0.05 0.42 -0.29 0.00 0.00 0.00 0.00 53.44 53.63 3d7u n ALA 407 Cb 0.54 -2.26 0.26 0.00 0.00 0.00 0.00 19.45 17.98 3d7u n ALA 407 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3d7u n PRO 408 N 2.13 -3.08 -2.18 0.00 -0.02 -1.26 -4.89 135.00 125.70 3d7u n PRO 408 Ca 0.12 -0.89 -0.42 0.00 -2.02 0.00 0.00 63.50 60.29 3d7u n PRO 408 Cb 0.31 -1.99 -0.03 0.00 -0.02 0.00 0.00 33.50 31.76 3d7u n PRO 408 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3d7u s ASP 409 N -2.45 6.83 -0.72 2.55 -0.00 -1.26 -2.79 116.67 118.82 3d7u s ASP 409 Ca 0.65 2.31 0.00 0.00 -0.00 0.00 0.00 52.55 55.51 3d7u s ASP 409 Cb -0.19 -2.58 0.00 0.00 -0.00 0.00 0.00 42.92 40.14 3d7u s ASP 409 CO 0.62 -0.65 0.00 0.61 -0.00 0.00 0.00 175.17 175.75 3d7u n GLY 410 N 3.49 0.85 3.74 0.21 0.00 -1.26 -4.97 105.19 107.25 3d7u n GLY 410 Ca 0.11 -0.31 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 3d7u n GLY 410 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d7u s PRO 412 N -0.39 4.24 0.29 0.00 0.02 -1.26 -4.89 135.00 133.01 3d7u s PRO 412 Ca 0.49 2.34 0.03 0.00 0.02 0.00 0.00 61.00 63.88 3d7u s PRO 412 Cb -0.29 -3.13 0.66 0.00 0.02 0.00 0.00 34.50 31.76 3d7u s PRO 412 CO 0.34 -0.51 1.78 -1.35 -0.33 0.00 0.00 177.00 176.93 3d7u h PRO 413 N 5.83 0.73 -0.56 5.54 0.11 -1.94 0.34 132.00 142.05 3d7u h PRO 413 Ca -0.44 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 3d7u h PRO 413 Cb 1.21 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 32.13 3d7u h PRO 413 CO 0.84 0.48 0.19 0.00 -0.21 0.00 0.00 178.00 179.29 3d7u h ALA 414 N 1.61 1.27 -0.43 -0.75 0.00 -1.90 -1.15 119.26 117.92 3d7u h ALA 414 Ca 0.54 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 55.19 3d7u h ALA 414 Cb 0.78 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3d7u h ALA 414 CO -0.37 0.52 -0.06 0.28 0.00 0.00 0.00 179.25 179.62 3d7u h VAL 415 N 0.81 1.27 -0.26 0.00 2.07 -1.30 -2.64 116.25 116.20 3d7u h VAL 415 Ca 0.19 -1.14 -0.03 0.00 0.82 0.00 0.00 66.70 66.53 3d7u h VAL 415 Cb 0.22 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 3d7u h VAL 415 CO -0.01 0.39 0.03 0.22 0.02 0.00 0.00 177.57 178.22 3d7u h TYR 416 N 0.62 0.38 0.00 1.57 3.20 -0.85 -1.29 116.97 120.60 3d7u h TYR 416 Ca 0.11 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.91 3d7u h TYR 416 Cb 0.58 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.73 3d7u h TYR 416 CO 0.05 0.36 -0.23 0.93 -1.64 0.00 0.00 178.16 177.63 3d7u h GLU 417 N 0.37 0.00 -0.05 1.82 5.08 -0.88 0.24 114.58 121.16 3d7u h GLU 417 Ca 0.09 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.40 3d7u h GLU 417 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3d7u h GLU 417 CO 0.00 0.23 -0.14 0.28 -1.00 0.00 0.00 179.01 178.38 3d7u h VAL 418 N 0.00 1.45 0.11 3.13 2.07 -0.94 -0.85 116.25 121.23 3d7u h VAL 418 Ca -0.00 -1.53 0.01 0.00 0.82 0.00 0.00 66.70 66.00 3d7u h VAL 418 Cb 0.69 2.33 -0.05 0.00 -1.52 0.00 0.00 31.29 32.75 3d7u h VAL 418 CO 0.03 0.42 -0.51 0.24 0.02 0.00 0.00 177.57 177.78 3d7u h MET 419 N -0.36 -0.69 -0.89 1.57 2.86 -0.96 -0.94 114.93 115.52 3d7u h MET 419 Ca -0.00 0.05 0.18 0.00 -2.06 0.00 0.00 59.70 57.87 3d7u h MET 419 Cb 0.76 0.16 -0.11 0.00 0.06 0.00 0.00 31.60 32.46 3d7u h MET 419 CO 0.03 -0.46 0.45 0.87 1.06 0.00 0.00 176.91 178.86 3d7u h LYS 420 N -0.72 0.54 0.00 1.72 1.57 -0.98 0.72 116.57 119.42 3d7u h LYS 420 Ca -0.01 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 3d7u h LYS 420 Cb 0.72 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.91 3d7u h LYS 420 CO -0.27 0.36 -0.07 -0.97 -0.57 0.00 0.00 179.45 177.92 3d7u h ASN 421 N 0.56 0.00 1.42 0.86 -1.24 -0.08 0.35 115.58 117.45 3d7u h ASN 421 Ca 0.52 0.00 -0.10 0.00 0.71 0.00 0.00 56.30 57.43 3d7u h ASN 421 Cb 0.86 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.90 3d7u h ASN 421 CO -0.43 0.07 -0.47 0.00 -1.29 0.00 0.00 177.43 175.31 3d7u n TRP 423 N -3.26 1.12 -1.92 0.00 8.01 0.11 -4.15 117.44 117.36 3d7u n TRP 423 Ca 0.02 -0.40 -0.39 0.00 -1.31 0.00 0.00 57.50 55.41 3d7u n TRP 423 Cb 0.70 -0.29 0.01 0.00 -2.01 0.00 0.00 31.31 29.72 3d7u n TRP 423 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.69 175.67 3d7u s HIS 424 N -1.94 2.59 0.26 -5.99 3.76 -1.20 -4.89 115.29 107.89 3d7u s HIS 424 Ca 0.31 1.35 0.12 0.00 -0.15 0.00 0.00 55.06 56.69 3d7u s HIS 424 Cb 0.23 -3.78 0.45 0.00 1.11 0.00 0.00 32.58 30.59 3d7u s HIS 424 CO 0.11 -2.54 1.65 -0.07 -0.85 0.00 0.00 174.74 173.04 3d7u h LEU 425 N 2.32 0.00 -8.03 0.89 3.38 -1.95 -3.38 115.31 108.55 3d7u h LEU 425 Ca -0.50 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 56.78 3d7u h LEU 425 Cb 1.26 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.83 3d7u h LEU 425 CO 0.61 0.55 0.65 -0.62 0.09 0.00 0.00 178.44 179.73 3d7u s ASP 426 N -6.77 6.52 0.18 -0.43 2.15 -1.26 -4.92 116.67 112.14 3d7u s ASP 426 Ca -0.01 -1.87 -0.02 0.00 0.43 0.00 0.00 52.55 51.08 3d7u s ASP 426 Cb 0.12 -2.38 0.37 0.00 -0.30 0.00 0.00 42.92 40.74 3d7u s ASP 426 CO 0.74 -1.09 0.94 0.00 -0.17 0.00 0.00 175.17 175.60 3d7u n ALA 427 N 6.49 0.23 0.28 3.66 0.00 -1.26 -0.18 120.51 129.73 3d7u n ALA 427 Ca 0.15 0.65 0.16 0.00 0.00 0.00 0.00 53.44 54.41 3d7u n ALA 427 Cb 0.48 -0.44 0.93 0.00 0.00 0.00 0.00 19.45 20.42 3d7u n ALA 427 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3d7u h ALA 428 N 1.21 1.53 0.00 0.00 0.00 -1.95 0.36 119.26 120.41 3d7u h ALA 428 Ca 0.33 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3d7u h ALA 428 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3d7u h ALA 428 CO -0.59 -0.07 0.00 -1.33 0.00 0.00 0.00 179.25 177.25 3d7u n MET 429 N -3.74 0.20 -2.24 0.00 2.81 0.75 -4.87 117.12 110.03 3d7u n MET 429 Ca -0.02 0.17 -0.36 0.00 -1.81 0.00 0.00 57.70 55.69 3d7u n MET 429 Cb 0.14 -1.74 0.00 0.00 -0.71 0.00 0.00 33.22 30.92 3d7u n MET 429 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 3d7u s ARG 430 N -3.08 3.43 0.69 0.03 0.52 0.11 -4.99 118.95 115.66 3d7u s ARG 430 Ca 0.11 1.67 -0.14 0.00 -0.52 0.00 0.00 55.73 56.85 3d7u s ARG 430 Cb 0.14 -2.10 0.01 0.00 0.52 0.00 0.00 34.95 33.52 3d7u s ARG 430 CO 0.57 -0.80 1.11 -1.25 0.02 0.00 0.00 175.30 174.96 3d7u s PRO 431 N -3.14 2.64 0.67 3.54 0.04 -1.26 -5.04 135.00 132.44 3d7u s PRO 431 Ca 0.71 1.37 -0.12 0.00 0.04 0.00 0.00 61.00 62.99 3d7u s PRO 431 Cb -0.25 -1.93 -0.00 0.00 0.04 0.00 0.00 34.50 32.35 3d7u s PRO 431 CO 0.29 -1.37 1.06 -1.54 0.04 0.00 0.00 177.00 175.48 3d7u s SER 432 N -2.71 5.40 0.32 6.66 1.04 -1.26 -4.90 113.70 118.26 3d7u s SER 432 Ca 0.66 1.72 0.07 0.00 0.48 0.00 0.00 55.95 58.87 3d7u s SER 432 Cb -0.20 -2.51 0.53 0.00 0.10 0.00 0.00 66.02 63.94 3d7u s SER 432 CO 0.45 -1.43 1.76 -0.26 0.98 0.00 0.00 173.24 174.74 3d7u h PHE 433 N -0.37 0.32 -0.72 5.02 -1.00 -1.94 0.37 116.94 118.61 3d7u h PHE 433 Ca -0.45 -0.07 -0.07 0.00 2.81 0.00 0.00 57.97 60.19 3d7u h PHE 433 Cb 1.22 -0.08 -0.03 0.00 3.61 0.00 0.00 35.95 40.67 3d7u h PHE 433 CO 0.60 0.56 0.18 1.25 -1.61 0.00 0.00 178.31 179.30 3d7u h LEU 434 N 0.25 1.09 -1.19 1.54 6.46 -1.92 0.13 115.31 121.67 3d7u h LEU 434 Ca 0.04 -0.23 -0.08 0.00 -0.12 0.00 0.00 57.88 57.48 3d7u h LEU 434 Cb 0.67 -0.29 -0.01 0.00 -0.73 0.00 0.00 40.66 40.30 3d7u h LEU 434 CO 0.05 1.04 -0.39 1.56 -0.62 0.00 0.00 178.44 180.07 3d7u h GLN 435 N 1.10 0.00 -0.23 1.25 4.20 -1.78 -0.80 115.11 118.84 3d7u h GLN 435 Ca 0.23 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.84 3d7u h GLN 435 Cb 0.37 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.14 3d7u h GLN 435 CO 0.00 0.39 -0.25 -0.07 -0.67 0.00 0.00 178.83 178.23 3d7u h LEU 436 N 0.00 0.62 -0.11 1.46 3.38 -0.16 -2.21 115.31 118.28 3d7u h LEU 436 Ca -0.00 -0.48 -0.00 0.00 0.09 0.00 0.00 57.88 57.48 3d7u h LEU 436 Cb 0.72 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 3d7u h LEU 436 CO 0.05 0.98 0.07 -0.09 0.09 0.00 0.00 178.44 179.54 3d7u h ARG 437 N 0.28 0.15 -0.69 1.13 2.43 -0.33 -0.95 114.38 116.40 3d7u h ARG 437 Ca 0.03 -0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.29 3d7u h ARG 437 Cb 0.81 -0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 30.26 3d7u h ARG 437 CO 0.06 0.14 0.33 0.93 -1.51 0.00 0.00 179.97 179.92 3d7u h GLU 438 N 0.12 0.54 -0.12 0.20 4.39 -1.16 0.13 114.58 118.68 3d7u h GLU 438 Ca 0.04 -0.03 -0.15 0.00 0.34 0.00 0.00 59.36 59.56 3d7u h GLU 438 Cb 0.02 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.54 3d7u h GLU 438 CO -0.01 0.36 -0.56 0.37 -1.16 0.00 0.00 179.01 178.01 3d7u h GLN 439 N 0.56 0.37 -0.17 2.33 5.75 -1.05 0.29 115.11 123.18 3d7u h GLN 439 Ca 0.34 -0.24 -0.12 0.00 -0.15 0.00 0.00 58.65 58.49 3d7u h GLN 439 Cb 0.38 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.95 3d7u h GLN 439 CO -0.28 0.83 -0.42 -0.07 -2.65 0.00 0.00 178.83 176.25 3d7u h LEU 440 N 0.28 0.43 -0.52 -2.39 3.38 -0.67 -0.50 115.31 115.32 3d7u h LEU 440 Ca 0.00 -0.19 -0.16 0.00 0.09 0.00 0.00 57.88 57.62 3d7u h LEU 440 Cb 1.07 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 3d7u h LEU 440 CO 0.09 0.80 -0.65 -0.33 0.09 0.00 0.00 178.44 178.45 3d7u h GLU 441 N 0.33 0.36 -0.30 1.13 5.08 -0.41 -0.77 114.58 120.01 3d7u h GLU 441 Ca 0.03 -0.26 -0.09 0.00 -1.00 0.00 0.00 59.36 58.03 3d7u h GLU 441 Cb 0.88 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 3d7u h GLU 441 CO 0.07 0.89 -0.21 1.25 -1.00 0.00 0.00 179.01 180.01 3d7u h HIS 442 N 0.26 0.61 -0.11 4.33 2.76 0.04 0.79 115.15 123.83 3d7u h HIS 442 Ca -0.01 -0.12 -0.03 0.00 -2.20 0.00 0.00 60.37 58.00 3d7u h HIS 442 Cb 1.19 -0.15 -0.00 0.00 1.55 0.00 0.00 27.41 29.99 3d7u h HIS 442 CO 0.03 0.72 -0.06 0.82 -1.30 0.00 0.00 177.93 178.15 3d7u h ILE 443 N 0.49 1.32 -0.37 6.26 2.04 -0.84 -2.92 117.51 123.49 3d7u h ILE 443 Ca 0.08 -1.09 -0.01 0.00 1.00 0.00 0.00 64.86 64.83 3d7u h ILE 443 Cb 0.63 1.81 -0.02 0.00 -0.74 0.00 0.00 36.82 38.50 3d7u h ILE 443 CO 0.04 0.31 0.18 0.50 0.00 0.00 0.00 178.15 179.18 3d7u h LYS 444 N -0.12 0.53 -0.48 2.37 3.64 -0.95 0.38 116.57 121.95 3d7u h LYS 444 Ca 0.02 -0.08 0.09 0.00 -1.27 0.00 0.00 60.65 59.42 3d7u h LYS 444 Cb 0.52 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.22 3d7u h LYS 444 CO 0.02 0.48 0.33 1.15 -2.27 0.00 0.00 179.45 179.15 3d7u h THR 445 N 0.46 0.89 -0.45 1.00 2.02 -0.85 -1.10 112.91 114.88 3d7u h THR 445 Ca 0.13 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.22 3d7u h THR 445 Cb 0.12 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.14 3d7u h THR 445 CO -0.02 0.05 0.00 1.41 0.37 0.00 0.00 175.52 177.33 3d7u n HIS 446 N -4.46 0.60 -3.55 3.16 8.25 -1.09 -4.97 115.22 113.16 3d7u n HIS 446 Ca 0.07 -0.47 -0.26 0.00 -0.26 0.00 0.00 57.72 56.80 3d7u n HIS 446 Cb 0.36 -0.02 0.02 0.00 1.12 0.00 0.00 29.99 31.47 3d7u n HIS 446 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3d7u n GLU 447 N 0.88 -4.56 0.00 -0.41 1.02 -0.24 -4.82 120.64 112.50 3d7u n GLU 447 Ca 0.15 0.60 0.07 0.00 -0.02 0.00 0.00 57.16 57.97 3d7u n GLU 447 Cb 0.48 -5.42 0.42 0.00 -0.02 0.00 0.00 31.44 26.91 3d7u n GLU 447 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3d7u n LEU 448 N -4.20 0.00 -0.24 -4.62 4.77 -0.04 -2.31 117.00 110.36 3d7u n LEU 448 Ca -0.00 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.05 3d7u n LEU 448 Cb 0.55 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.61 3d7u n LEU 448 CO 0.62 0.00 0.17 0.00 -1.33 0.00 0.00 177.39 176.84 3d7u n HIS 449 N -0.89 0.00 0.69 -1.77 1.44 -1.26 -4.67 115.22 108.75 3d7u n HIS 449 Ca 0.11 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 55.90 3d7u n HIS 449 Cb 0.05 0.00 0.07 0.00 0.12 0.00 0.00 29.99 30.23 3d7u n HIS 449 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81