#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kf4 h PRO 230 N 0.00 0.00 -0.47 1.43 0.11 -2.12 -2.25 132.00 128.70 3kf4 h PRO 230 Ca 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 3kf4 h PRO 230 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 3kf4 h PRO 230 CO 0.00 0.23 0.01 0.09 -0.21 0.00 0.00 178.00 178.12 3kf4 n ASN 231 N -3.98 5.01 -4.75 -2.05 3.02 -1.26 -5.00 115.26 106.26 3kf4 n ASN 231 Ca -0.02 -3.00 -0.41 0.00 -0.03 0.00 0.00 54.58 51.12 3kf4 n ASN 231 Cb 0.31 -0.64 -0.02 0.00 -0.61 0.00 0.00 39.78 38.82 3kf4 n ASN 231 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3kf4 s TYR 232 N -2.82 2.79 -0.06 3.10 5.04 -0.85 -5.00 117.35 119.55 3kf4 s TYR 232 Ca 0.50 0.81 -0.02 0.00 -2.44 0.00 0.00 57.07 55.92 3kf4 s TYR 232 Cb 0.39 -4.04 0.03 0.00 0.35 0.00 0.00 41.96 38.70 3kf4 s TYR 232 CO 0.13 -3.47 0.05 0.34 -1.34 0.00 0.00 175.55 171.26 3kf4 s ASP 233 N 0.48 1.34 0.57 4.32 3.68 -1.26 -5.04 116.67 120.76 3kf4 s ASP 233 Ca 0.63 -0.02 0.26 0.00 2.13 0.00 0.00 52.55 55.55 3kf4 s ASP 233 Cb -0.47 -0.21 1.63 0.00 -1.45 0.00 0.00 42.92 42.42 3kf4 s ASP 233 CO 0.47 -0.25 2.19 0.07 0.13 0.00 0.00 175.17 177.79 3kf4 h LYS 234 N 8.41 0.00 0.00 4.34 2.10 -2.03 -2.56 116.57 126.83 3kf4 h LYS 234 Ca -0.14 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.35 3kf4 h LYS 234 Cb 1.12 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.42 3kf4 h LYS 234 CO 0.18 0.00 -1.63 0.91 -2.00 0.00 0.00 179.45 176.91 3kf4 n TRP 235 N -4.06 0.67 -2.27 0.07 7.02 -1.26 -4.90 117.44 112.70 3kf4 n TRP 235 Ca -0.02 0.22 -0.43 0.00 -1.02 0.00 0.00 57.50 56.25 3kf4 n TRP 235 Cb 0.14 -0.97 -0.02 0.00 -2.42 0.00 0.00 31.31 28.03 3kf4 n TRP 235 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 3kf4 s GLU 236 N -2.98 4.09 0.29 -0.99 0.41 -0.97 -1.07 118.70 117.48 3kf4 s GLU 236 Ca -0.05 1.72 0.07 0.00 -0.41 0.00 0.00 54.97 56.30 3kf4 s GLU 236 Cb 0.09 -3.88 -0.03 0.00 -1.78 0.00 0.00 34.13 28.53 3kf4 s GLU 236 CO 0.83 -0.91 0.31 -1.64 -0.49 0.00 0.00 175.26 173.36 3kf4 s MET 237 N 3.93 3.00 -0.06 1.61 -1.94 0.70 -4.89 119.30 121.66 3kf4 s MET 237 Ca 0.62 -1.06 -0.26 0.00 -1.71 0.00 0.00 55.69 53.28 3kf4 s MET 237 Cb -0.24 -2.65 -0.03 0.00 2.01 0.00 0.00 34.83 33.92 3kf4 s MET 237 CO 0.22 0.25 0.81 -2.00 -0.01 0.00 0.00 175.02 174.29 3kf4 s GLU 238 N -3.98 4.45 0.45 2.03 2.56 -1.26 -4.55 118.70 118.41 3kf4 s GLU 238 Ca 0.38 1.07 0.21 0.00 0.00 0.00 0.00 54.97 56.63 3kf4 s GLU 238 Cb -0.08 -3.47 1.20 0.00 2.00 0.00 0.00 34.13 33.78 3kf4 s GLU 238 CO 0.27 -0.03 1.88 -0.09 -0.56 0.00 0.00 175.26 176.73 3kf4 h ARG 239 N 6.86 0.28 0.00 4.30 2.43 -1.95 0.11 114.38 126.40 3kf4 h ARG 239 Ca -0.39 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.76 3kf4 h ARG 239 Cb 1.19 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 3kf4 h ARG 239 CO 0.77 0.18 0.00 0.25 -1.51 0.00 0.00 179.97 179.66 3kf4 n THR 240 N -4.45 0.13 0.37 0.20 -2.24 -1.26 -2.03 114.28 105.02 3kf4 n THR 240 Ca 0.18 0.03 0.14 0.00 -2.27 0.00 0.00 64.05 62.13 3kf4 n THR 240 Cb 0.74 -0.58 0.52 0.00 -2.10 0.00 0.00 70.33 68.91 3kf4 n THR 240 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3kf4 h ASP 241 N 0.00 0.00 -3.32 3.42 3.32 -1.16 -3.44 116.42 115.23 3kf4 h ASP 241 Ca 0.00 0.00 -0.65 0.00 0.02 0.00 0.00 57.03 56.40 3kf4 h ASP 241 Cb 0.30 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 39.59 3kf4 h ASP 241 CO 0.00 0.00 -0.74 -0.63 -1.72 0.00 0.00 179.24 176.15 3kf4 s ILE 242 N -3.40 3.24 -0.19 0.35 -1.09 -0.86 -1.75 121.20 117.50 3kf4 s ILE 242 Ca 0.04 -0.58 -0.18 0.00 -2.23 0.00 0.00 60.65 57.69 3kf4 s ILE 242 Cb 0.09 -2.39 -0.03 0.00 -1.58 0.00 0.00 42.46 38.55 3kf4 s ILE 242 CO 0.49 0.50 0.51 -0.89 -1.23 0.00 0.00 174.94 174.32 3kf4 s THR 243 N 0.54 5.12 -0.34 2.92 2.01 -0.05 -4.94 115.64 120.90 3kf4 s THR 243 Ca -0.07 0.95 -0.24 0.00 0.31 0.00 0.00 61.69 62.64 3kf4 s THR 243 Cb -0.15 -3.84 0.01 0.00 0.01 0.00 0.00 72.50 68.53 3kf4 s THR 243 CO 0.03 0.20 0.84 -0.04 -0.69 0.00 0.00 174.62 174.96 3kf4 s MET 244 N 1.48 3.89 -0.14 4.92 1.00 -1.26 -0.29 119.30 128.89 3kf4 s MET 244 Ca 0.24 0.55 -0.09 0.00 0.00 0.00 0.00 55.69 56.39 3kf4 s MET 244 Cb -0.15 -3.77 -0.05 0.00 0.00 0.00 0.00 34.83 30.86 3kf4 s MET 244 CO 0.10 -0.80 -0.05 0.87 0.00 0.00 0.00 175.02 175.14 3kf4 h LYS 245 N 8.28 0.00 -2.42 2.03 1.57 -1.22 -3.49 116.57 121.33 3kf4 h LYS 245 Ca -0.24 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.59 3kf4 h LYS 245 Cb 1.09 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.25 3kf4 h LYS 245 CO 0.92 0.15 0.38 -3.38 -0.57 0.00 0.00 179.45 176.95 3kf4 s HIS 246 N -2.06 -0.44 0.09 -1.35 -3.43 -1.16 -5.01 115.29 101.92 3kf4 s HIS 246 Ca -0.12 0.37 -0.30 0.00 -0.80 0.00 0.00 55.06 54.20 3kf4 s HIS 246 Cb 0.02 0.53 -0.06 0.00 -1.43 0.00 0.00 32.58 31.64 3kf4 s HIS 246 CO 0.22 -0.63 1.06 0.21 -2.00 0.00 0.00 174.74 173.60 3kf4 s LYS 247 N -2.97 4.57 0.47 -0.38 2.20 -1.26 -1.12 119.74 121.25 3kf4 s LYS 247 Ca 0.02 1.60 -0.19 0.00 -0.36 0.00 0.00 55.97 57.03 3kf4 s LYS 247 Cb -0.01 -3.36 -0.09 0.00 -1.51 0.00 0.00 37.83 32.86 3kf4 s LYS 247 CO -0.08 -0.01 0.97 -0.51 -0.36 0.00 0.00 175.35 175.37 3kf4 s LEU 248 N 0.41 3.80 0.00 5.43 1.43 0.34 -4.83 118.68 125.27 3kf4 s LEU 248 Ca 0.52 1.67 0.00 0.00 -1.03 0.00 0.00 54.13 55.29 3kf4 s LEU 248 Cb -0.26 -4.53 0.00 0.00 0.03 0.00 0.00 46.19 41.43 3kf4 s LEU 248 CO 0.31 -0.51 0.00 0.61 0.23 0.00 0.00 176.35 176.99 3kf4 n GLY 249 N -0.96 2.28 2.38 -3.19 0.00 -1.26 -3.59 105.19 100.85 3kf4 n GLY 249 Ca 0.07 -0.33 -0.15 0.00 0.00 0.00 0.00 46.02 45.61 3kf4 n GLY 249 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kf4 n GLY 250 N 0.00 2.54 3.56 -0.02 0.00 -1.26 -4.85 105.19 105.16 3kf4 n GLY 250 Ca 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.92 3kf4 n GLY 250 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kf4 n GLY 251 N 0.36 0.00 0.27 -0.02 0.00 -1.24 -4.70 105.19 99.85 3kf4 n GLY 251 Ca 0.18 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.36 3kf4 n GLY 251 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 3kf4 h GLN 252 N 0.00 0.00 -0.36 1.61 3.07 -1.89 -1.02 115.11 116.52 3kf4 h GLN 252 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3kf4 h GLN 252 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 3kf4 h GLN 252 CO 0.00 0.01 0.00 0.66 0.09 0.00 0.00 178.83 179.59 3kf4 n TYR 253 N -3.10 0.46 -3.08 0.06 4.01 -1.26 -5.06 117.16 109.19 3kf4 n TYR 253 Ca 0.01 -0.23 0.00 0.00 -0.16 0.00 0.00 57.90 57.52 3kf4 n TYR 253 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.38 3kf4 n TYR 253 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kf4 n GLY 254 N 1.39 1.63 2.51 2.72 0.00 -0.39 -4.06 105.19 109.00 3kf4 n GLY 254 Ca 0.18 -0.60 -0.40 0.00 0.00 0.00 0.00 46.02 45.20 3kf4 n GLY 254 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kf4 n GLU 255 N 12.91 4.77 -4.58 1.61 4.71 -1.26 -4.68 120.64 134.11 3kf4 n GLU 255 Ca 0.00 -3.70 -0.33 0.00 -0.01 0.00 0.00 57.16 53.11 3kf4 n GLU 255 Cb 0.00 -2.60 -0.14 0.00 -1.01 0.00 0.00 31.44 27.69 3kf4 n GLU 255 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 3kf4 s VAL 256 N -1.78 3.15 0.10 2.62 1.01 -1.26 -1.29 120.40 122.97 3kf4 s VAL 256 Ca 0.51 -0.61 0.10 0.00 0.00 0.00 0.00 61.98 61.97 3kf4 s VAL 256 Cb 0.19 -2.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 3kf4 s VAL 256 CO -0.10 0.51 -0.24 -0.31 0.00 0.00 0.00 175.10 174.96 3kf4 s TYR 257 N 0.55 2.40 0.01 5.22 1.51 0.13 -0.50 117.35 126.66 3kf4 s TYR 257 Ca -0.07 -0.34 -0.29 0.00 -1.01 0.00 0.00 57.07 55.35 3kf4 s TYR 257 Cb -0.15 -1.32 -0.03 0.00 -0.11 0.00 0.00 41.96 40.34 3kf4 s TYR 257 CO 0.03 0.31 0.94 -2.00 -1.11 0.00 0.00 175.55 173.72 3kf4 s GLU 258 N -1.87 4.56 0.40 -0.62 2.12 -0.27 -0.40 118.70 122.61 3kf4 s GLU 258 Ca 0.15 1.35 0.04 0.00 0.36 0.00 0.00 54.97 56.87 3kf4 s GLU 258 Cb -0.10 -3.45 -0.03 0.00 0.26 0.00 0.00 34.13 30.82 3kf4 s GLU 258 CO 0.06 0.00 0.14 0.20 -0.54 0.00 0.00 175.26 175.12 3kf4 s GLY 259 N 0.84 2.55 -0.05 -1.50 0.00 0.32 -0.63 107.32 108.85 3kf4 s GLY 259 Ca 0.49 -1.34 0.03 0.00 0.00 0.00 0.00 44.72 43.91 3kf4 s GLY 259 CO 0.27 -1.80 -0.15 0.14 0.00 0.00 0.00 173.10 171.56 3kf4 s VAL 260 N -3.25 1.31 -0.89 1.40 1.01 0.60 -0.32 120.40 120.25 3kf4 s VAL 260 Ca 0.26 -0.62 -0.23 0.00 0.00 0.00 0.00 61.98 61.38 3kf4 s VAL 260 Cb 0.03 -1.15 0.06 0.00 0.00 0.00 0.00 36.38 35.32 3kf4 s VAL 260 CO 0.16 0.39 1.30 0.86 0.00 0.00 0.00 175.10 177.80 3kf4 s TRP 261 N 0.29 2.58 0.33 5.22 -0.11 0.17 -0.87 118.94 126.54 3kf4 s TRP 261 Ca -0.09 -0.69 0.02 0.00 1.22 0.00 0.00 56.10 56.56 3kf4 s TRP 261 Cb -0.13 -4.57 0.59 0.00 -1.50 0.00 0.00 33.47 27.86 3kf4 s TRP 261 CO 0.03 -1.87 1.97 0.87 -4.62 0.00 0.00 176.95 173.32 3kf4 h LYS 262 N 9.68 0.91 -1.00 5.86 1.57 -1.63 -0.47 116.57 131.49 3kf4 h LYS 262 Ca 0.02 -0.05 0.21 0.00 -1.87 0.00 0.00 60.65 58.95 3kf4 h LYS 262 Cb 1.03 -0.21 -0.11 0.00 0.08 0.00 0.00 32.23 33.03 3kf4 h LYS 262 CO 1.31 0.60 0.61 -0.22 -0.57 0.00 0.00 179.45 181.19 3kf4 h LYS 263 N 0.94 0.66 -0.01 3.15 3.64 -1.90 -2.32 116.57 120.73 3kf4 h LYS 263 Ca 0.31 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 3kf4 h LYS 263 Cb 0.05 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 3kf4 h LYS 263 CO -0.09 0.44 -0.08 0.66 -2.27 0.00 0.00 179.45 178.11 3kf4 n TYR 264 N -4.76 0.00 -2.31 1.91 4.02 -0.33 -4.97 117.16 110.72 3kf4 n TYR 264 Ca 0.24 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.95 3kf4 n TYR 264 Cb 0.63 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.94 3kf4 n TYR 264 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 3kf4 n SER 265 N 0.27 -5.23 -4.69 7.72 7.64 -0.34 -4.95 113.62 114.05 3kf4 n SER 265 Ca 0.05 0.10 -0.39 0.00 1.01 0.00 0.00 58.87 59.65 3kf4 n SER 265 Cb 0.25 -4.41 -0.06 0.00 -1.01 0.00 0.00 64.21 58.97 3kf4 n SER 265 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3kf4 s LEU 266 N -5.73 4.20 0.14 -3.43 2.96 -1.13 -4.90 118.68 110.79 3kf4 s LEU 266 Ca 0.00 0.72 -0.31 0.00 -0.22 0.00 0.00 54.13 54.32 3kf4 s LEU 266 Cb 0.00 -2.69 -0.09 0.00 0.50 0.00 0.00 46.19 43.92 3kf4 s LEU 266 CO 0.00 -0.10 1.42 -0.89 -1.32 0.00 0.00 176.35 175.45 3kf4 s THR 267 N 1.22 3.12 0.35 3.68 2.01 -1.26 0.44 115.64 125.19 3kf4 s THR 267 Ca 0.24 0.83 0.03 0.00 0.31 0.00 0.00 61.69 63.10 3kf4 s THR 267 Cb -0.15 -3.53 -0.04 0.00 0.01 0.00 0.00 72.50 68.79 3kf4 s THR 267 CO 0.10 0.08 0.10 0.68 -0.69 0.00 0.00 174.62 174.89 3kf4 s VAL 268 N 0.90 0.78 0.04 3.82 -7.23 0.56 -4.00 120.40 115.27 3kf4 s VAL 268 Ca 0.64 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.87 3kf4 s VAL 268 Cb -0.38 -2.56 -0.03 0.00 0.56 0.00 0.00 36.38 33.96 3kf4 s VAL 268 CO 0.32 0.00 -0.13 0.00 -0.31 0.00 0.00 175.10 174.99 3kf4 s ALA 269 N -3.35 2.81 -0.06 1.32 0.00 -0.19 -0.52 121.76 121.78 3kf4 s ALA 269 Ca 0.31 -1.15 -0.00 0.00 0.00 0.00 0.00 51.96 51.12 3kf4 s ALA 269 Cb 0.06 -0.90 0.03 0.00 0.00 0.00 0.00 23.12 22.30 3kf4 s ALA 269 CO 0.15 0.60 -0.01 0.08 0.00 0.00 0.00 175.76 176.58 3kf4 s VAL 270 N -1.01 0.39 -0.16 0.00 1.01 0.46 -1.05 120.40 120.03 3kf4 s VAL 270 Ca 0.17 0.05 -0.07 0.00 0.00 0.00 0.00 61.98 62.13 3kf4 s VAL 270 Cb -0.11 -0.50 -0.04 0.00 0.00 0.00 0.00 36.38 35.73 3kf4 s VAL 270 CO 0.08 0.23 0.08 -0.75 0.00 0.00 0.00 175.10 174.75 3kf4 s LYS 271 N 1.56 3.81 0.23 2.72 2.20 0.44 0.18 119.74 130.88 3kf4 s LYS 271 Ca -0.01 -0.29 0.07 0.00 -0.36 0.00 0.00 55.97 55.38 3kf4 s LYS 271 Cb -0.13 -3.20 -0.05 0.00 -1.51 0.00 0.00 37.83 32.94 3kf4 s LYS 271 CO -0.03 0.42 -0.11 0.95 -0.36 0.00 0.00 175.35 176.22 3kf4 s THR 272 N -0.04 1.72 0.00 3.43 -4.23 -0.41 -0.64 115.64 115.47 3kf4 s THR 272 Ca 0.07 -2.19 0.00 0.00 -1.18 0.00 0.00 61.69 58.40 3kf4 s THR 272 Cb -0.12 -2.19 0.00 0.00 1.34 0.00 0.00 72.50 71.53 3kf4 s THR 272 CO 0.01 -0.49 0.00 -0.11 -0.54 0.00 0.00 174.62 173.49 3kf4 n LEU 273 N -0.46 0.00 -2.90 4.79 7.94 -1.13 -4.72 117.00 120.52 3kf4 n LEU 273 Ca -0.07 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.83 3kf4 n LEU 273 Cb 0.61 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.56 3kf4 n LEU 273 CO 0.36 0.00 0.51 1.17 -1.11 0.00 0.00 177.39 178.33 3kf4 n LYS 274 N -0.47 0.00 0.00 1.96 4.81 -1.26 -5.02 118.16 118.18 3kf4 n LYS 274 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3kf4 n LYS 274 Cb 0.00 -0.73 0.00 0.00 0.02 0.00 0.00 35.03 34.32 3kf4 n LYS 274 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 3kf4 n VAL 280 N 2.84 0.00 -0.30 3.15 0.24 -1.26 -5.14 118.33 117.85 3kf4 n VAL 280 Ca 0.00 0.00 0.04 0.00 -2.04 0.00 0.00 64.34 62.34 3kf4 n VAL 280 Cb 0.26 -0.05 0.25 0.00 -1.47 0.00 0.00 33.84 32.82 3kf4 n VAL 280 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 3kf4 h GLU 281 N 0.00 0.98 -0.35 7.34 5.08 -2.05 0.10 114.58 125.68 3kf4 h GLU 281 Ca 0.00 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.17 3kf4 h GLU 281 Cb 0.00 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 3kf4 h GLU 281 CO 0.00 0.65 -0.32 0.93 -1.00 0.00 0.00 179.01 179.27 3kf4 h GLU 282 N 1.01 0.77 0.32 2.33 4.39 -1.98 0.00 114.58 121.42 3kf4 h GLU 282 Ca 0.39 -0.36 -0.02 0.00 0.34 0.00 0.00 59.36 59.72 3kf4 h GLU 282 Cb 0.22 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 3kf4 h GLU 282 CO -0.15 0.98 -0.15 0.35 -1.16 0.00 0.00 179.01 178.88 3kf4 h PHE 283 N 0.65 -0.40 -0.10 4.33 3.57 -1.55 -2.02 116.94 121.42 3kf4 h PHE 283 Ca 0.07 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.53 3kf4 h PHE 283 Cb 0.86 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.72 3kf4 h PHE 283 CO 0.05 -0.15 -0.07 -0.07 -2.23 0.00 0.00 178.31 175.83 3kf4 h LEU 284 N -0.57 0.13 -0.56 0.59 3.38 -0.74 -1.05 115.31 116.49 3kf4 h LEU 284 Ca -0.04 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.76 3kf4 h LEU 284 Cb 0.42 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3kf4 h LEU 284 CO 0.07 0.23 -0.47 0.50 0.09 0.00 0.00 178.44 178.86 3kf4 h LYS 285 N 0.14 0.62 -0.47 1.13 3.64 -0.87 0.19 116.57 120.95 3kf4 h LYS 285 Ca 0.03 -0.35 -0.11 0.00 -1.27 0.00 0.00 60.65 58.95 3kf4 h LYS 285 Cb 0.23 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 3kf4 h LYS 285 CO 0.01 0.96 -0.15 1.49 -2.27 0.00 0.00 179.45 179.49 3kf4 h GLU 286 N 0.49 0.94 -0.38 1.90 4.81 -0.54 -1.27 114.58 120.54 3kf4 h GLU 286 Ca 0.03 -0.37 0.01 0.00 -0.13 0.00 0.00 59.36 58.90 3kf4 h GLU 286 Cb 1.00 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.32 3kf4 h GLU 286 CO 0.09 1.03 0.23 0.00 -0.73 0.00 0.00 179.01 179.63 3kf4 h ALA 287 N 0.87 0.47 -0.37 2.92 0.00 -0.96 -1.78 119.26 120.41 3kf4 h ALA 287 Ca 0.12 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3kf4 h ALA 287 Cb 0.71 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3kf4 h ALA 287 CO 0.05 -0.11 0.23 0.00 0.00 0.00 0.00 179.25 179.42 3kf4 h ALA 288 N 1.16 0.47 -0.97 0.00 0.00 -0.39 -2.93 119.26 116.60 3kf4 h ALA 288 Ca 0.15 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3kf4 h ALA 288 Cb -0.01 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 3kf4 h ALA 288 CO -0.06 -0.03 0.63 0.28 0.00 0.00 0.00 179.25 180.06 3kf4 h VAL 289 N 0.49 1.26 0.00 0.00 2.07 -1.02 -2.80 116.25 116.24 3kf4 h VAL 289 Ca 0.13 -0.49 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 3kf4 h VAL 289 Cb -0.00 -0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 29.60 3kf4 h VAL 289 CO -0.03 0.25 -0.09 0.24 0.02 0.00 0.00 177.57 177.97 3kf4 h MET 290 N 1.33 0.00 0.00 1.57 2.86 -1.14 -1.48 114.93 118.06 3kf4 h MET 290 Ca 0.35 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.99 3kf4 h MET 290 Cb -0.13 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.53 3kf4 h MET 290 CO -0.07 0.09 -0.03 0.87 1.06 0.00 0.00 176.91 178.82 3kf4 h LYS 291 N 0.00 0.00 0.00 1.72 1.57 -1.41 -3.27 116.57 115.19 3kf4 h LYS 291 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3kf4 h LYS 291 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.88 3kf4 h LYS 291 CO 0.01 0.03 -1.14 0.39 -0.57 0.00 0.00 179.45 178.17 3kf4 n GLU 292 N -3.16 0.27 -5.12 3.15 -0.58 -0.56 -4.93 120.64 109.71 3kf4 n GLU 292 Ca -0.00 -0.03 -0.29 0.00 -0.42 0.00 0.00 57.16 56.42 3kf4 n GLU 292 Cb 0.29 -1.48 -0.16 0.00 -0.57 0.00 0.00 31.44 29.52 3kf4 n GLU 292 CO 0.00 0.00 0.00 0.96 -0.48 0.00 0.00 177.13 177.61 3kf4 s ILE 293 N -3.04 1.79 -0.16 -3.67 -4.36 -1.20 -5.12 121.20 105.45 3kf4 s ILE 293 Ca 0.05 -0.97 -0.09 0.00 -0.26 0.00 0.00 60.65 59.38 3kf4 s ILE 293 Cb 0.15 -1.49 0.05 0.00 1.25 0.00 0.00 42.46 42.43 3kf4 s ILE 293 CO 0.85 0.51 0.38 -0.75 0.24 0.00 0.00 174.94 176.17 3kf4 s LYS 294 N -0.50 0.37 -0.23 0.37 2.20 -1.26 -4.91 119.74 115.79 3kf4 s LYS 294 Ca 0.08 0.72 -0.28 0.00 -0.36 0.00 0.00 55.97 56.12 3kf4 s LYS 294 Cb -0.09 -0.01 0.15 0.00 -1.51 0.00 0.00 37.83 36.37 3kf4 s LYS 294 CO -0.01 -0.15 1.14 -1.58 -0.36 0.00 0.00 175.35 174.40 3kf4 s HIS 295 N 1.22 -0.27 0.60 4.03 2.46 -1.26 -5.00 115.29 117.06 3kf4 s HIS 295 Ca -0.08 0.54 0.29 0.00 0.47 0.00 0.00 55.06 56.28 3kf4 s HIS 295 Cb -0.08 0.45 1.53 0.00 -0.13 0.00 0.00 32.58 34.35 3kf4 s HIS 295 CO -0.10 -0.21 1.94 -1.35 -2.47 0.00 0.00 174.74 172.55 3kf4 h PRO 296 N 2.85 0.00 -0.10 2.88 0.11 -2.00 -1.34 132.00 134.40 3kf4 h PRO 296 Ca -0.19 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.88 3kf4 h PRO 296 Cb 1.17 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 3kf4 h PRO 296 CO 0.23 0.00 -0.21 0.09 -0.21 0.00 0.00 178.00 177.91 3kf4 n ASN 297 N -3.62 2.30 -4.31 -2.05 4.13 -1.26 -4.90 115.26 105.55 3kf4 n ASN 297 Ca 0.05 -3.53 -0.32 0.00 1.68 0.00 0.00 54.58 52.46 3kf4 n ASN 297 Cb 0.56 -0.52 -0.15 0.00 -1.54 0.00 0.00 39.78 38.12 3kf4 n ASN 297 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3kf4 s LEU 298 N -3.08 2.41 0.21 3.41 1.43 -0.51 -0.76 118.68 121.79 3kf4 s LEU 298 Ca 0.38 -0.43 -0.32 0.00 -1.03 0.00 0.00 54.13 52.73 3kf4 s LEU 298 Cb 0.35 -1.51 -0.14 0.00 0.03 0.00 0.00 46.19 44.93 3kf4 s LEU 298 CO -0.01 0.18 1.47 1.33 0.23 0.00 0.00 176.35 179.56 3kf4 n VAL 299 N 3.38 0.57 -2.93 -1.59 0.24 -0.60 -4.61 118.33 112.79 3kf4 n VAL 299 Ca -0.18 -0.14 -0.42 0.00 -2.04 0.00 0.00 64.34 61.56 3kf4 n VAL 299 Cb 0.53 -1.49 -0.05 0.00 -1.47 0.00 0.00 33.84 31.36 3kf4 n VAL 299 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 3kf4 s GLN 300 N 0.11 3.99 0.14 7.34 0.74 -1.26 -4.98 119.66 125.73 3kf4 s GLN 300 Ca 0.72 0.64 -0.31 0.00 0.05 0.00 0.00 55.36 56.46 3kf4 s GLN 300 Cb -0.67 -3.72 -0.09 0.00 1.10 0.00 0.00 33.01 29.64 3kf4 s GLN 300 CO 0.45 -0.67 1.47 -1.17 -0.55 0.00 0.00 175.29 174.82 3kf4 s LEU 301 N 2.97 4.37 -0.15 3.68 2.96 -1.26 -1.72 118.68 129.52 3kf4 s LEU 301 Ca 0.33 2.45 0.11 0.00 -0.22 0.00 0.00 54.13 56.80 3kf4 s LEU 301 Cb -0.14 -3.59 -0.17 0.00 0.50 0.00 0.00 46.19 42.79 3kf4 s LEU 301 CO 0.12 -0.73 0.02 0.18 -1.32 0.00 0.00 176.35 174.62 3kf4 n LEU 302 N 3.94 0.44 0.00 -0.68 4.77 0.56 -4.89 117.00 121.14 3kf4 n LEU 302 Ca 0.12 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 3kf4 n LEU 302 Cb 0.41 0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.71 3kf4 n LEU 302 CO 0.60 0.43 0.00 0.61 -1.33 0.00 0.00 177.39 177.69 3kf4 n GLY 303 N 2.18 -0.52 3.11 -0.72 0.00 -0.79 -4.96 105.19 103.48 3kf4 n GLY 303 Ca -0.25 -0.98 -0.09 0.00 0.00 0.00 0.00 46.02 44.69 3kf4 n GLY 303 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kf4 s VAL 304 N -2.00 0.44 -0.37 1.61 -7.23 -0.24 -0.43 120.40 112.18 3kf4 s VAL 304 Ca 0.00 -1.69 0.02 0.00 -1.81 0.00 0.00 61.98 58.51 3kf4 s VAL 304 Cb 0.00 -1.36 0.11 0.00 0.56 0.00 0.00 36.38 35.69 3kf4 s VAL 304 CO 0.00 -0.83 0.12 0.00 -0.31 0.00 0.00 175.10 174.08 3kf4 n THR 306 N 4.16 0.41 0.07 0.00 -2.24 -1.26 -0.13 114.28 115.29 3kf4 n THR 306 Ca 0.03 -0.95 -0.20 0.00 -2.27 0.00 0.00 64.05 60.66 3kf4 n THR 306 Cb 0.40 0.55 -0.15 0.00 -2.10 0.00 0.00 70.33 69.03 3kf4 n THR 306 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 3kf4 h ARG 307 N 0.50 0.33 -3.95 -0.78 3.08 -1.95 -3.47 114.38 108.13 3kf4 h ARG 307 Ca -0.09 -0.56 -0.15 0.00 0.07 0.00 0.00 59.98 59.25 3kf4 h ARG 307 Cb 1.52 0.21 -0.19 0.00 0.08 0.00 0.00 29.97 31.58 3kf4 h ARG 307 CO 0.04 1.21 -0.65 -1.21 -1.07 0.00 0.00 179.97 178.30 3kf4 s GLU 308 N -2.60 0.42 0.82 0.04 8.01 -1.26 -5.15 118.70 118.97 3kf4 s GLU 308 Ca -0.12 -0.72 -0.13 0.00 0.01 0.00 0.00 54.97 54.02 3kf4 s GLU 308 Cb 0.06 0.16 0.09 0.00 -4.31 0.00 0.00 34.13 30.12 3kf4 s GLU 308 CO 0.86 -0.08 1.18 -2.14 0.01 0.00 0.00 175.26 175.09 3kf4 s PRO 309 N -2.06 1.63 0.28 0.39 0.02 -1.26 -4.02 135.00 129.97 3kf4 s PRO 309 Ca -0.10 1.65 -0.29 0.00 0.02 0.00 0.00 61.00 62.27 3kf4 s PRO 309 Cb -0.05 -1.79 -0.10 0.00 0.02 0.00 0.00 34.50 32.59 3kf4 s PRO 309 CO -0.03 -2.19 1.23 -2.14 -0.33 0.00 0.00 177.00 173.53 3kf4 s PRO 310 N -4.29 4.47 0.42 5.54 0.02 -1.26 -5.11 135.00 134.78 3kf4 s PRO 310 Ca 0.71 2.01 -0.23 0.00 0.02 0.00 0.00 61.00 63.51 3kf4 s PRO 310 Cb -0.26 -3.15 -0.09 0.00 0.02 0.00 0.00 34.50 31.02 3kf4 s PRO 310 CO 0.52 -0.05 1.03 -0.06 -0.33 0.00 0.00 177.00 178.11 3kf4 s PHE 311 N -0.82 3.23 0.02 6.54 2.99 -1.26 -4.88 117.98 123.81 3kf4 s PHE 311 Ca 0.49 1.63 0.06 0.00 0.00 0.00 0.00 56.93 59.12 3kf4 s PHE 311 Cb -0.36 -3.08 -0.02 0.00 0.00 0.00 0.00 43.02 39.57 3kf4 s PHE 311 CO 0.45 -0.58 -0.19 0.71 -0.00 0.00 0.00 175.22 175.61 3kf4 s TYR 312 N -1.77 1.66 -0.14 0.36 4.12 0.81 -2.84 117.35 119.55 3kf4 s TYR 312 Ca 0.60 -0.34 0.01 0.00 0.02 0.00 0.00 57.07 57.35 3kf4 s TYR 312 Cb -0.19 -1.02 -0.01 0.00 -1.52 0.00 0.00 41.96 39.22 3kf4 s TYR 312 CO 0.24 0.03 -0.15 0.42 0.02 0.00 0.00 175.55 176.11 3kf4 s ILE 313 N -0.63 2.79 -0.16 2.71 1.01 0.19 -0.97 121.20 126.13 3kf4 s ILE 313 Ca 0.07 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 59.97 3kf4 s ILE 313 Cb -0.08 -2.16 -0.00 0.00 0.01 0.00 0.00 42.46 40.23 3kf4 s ILE 313 CO 0.01 0.52 -0.15 -0.63 0.00 0.00 0.00 174.94 174.69 3kf4 s ILE 314 N 0.52 2.63 0.29 2.92 1.01 0.43 -0.42 121.20 128.57 3kf4 s ILE 314 Ca -0.10 -0.78 0.04 0.00 0.00 0.00 0.00 60.65 59.81 3kf4 s ILE 314 Cb -0.16 -2.11 -0.06 0.00 0.01 0.00 0.00 42.46 40.14 3kf4 s ILE 314 CO 0.04 0.51 0.02 0.42 0.00 0.00 0.00 174.94 175.94 3kf4 s THR 315 N 0.87 1.19 0.69 2.92 -4.23 -0.22 -0.32 115.64 116.54 3kf4 s THR 315 Ca -0.04 -2.03 -0.17 0.00 -1.18 0.00 0.00 61.69 58.27 3kf4 s THR 315 Cb -0.15 -2.60 -0.04 0.00 1.34 0.00 0.00 72.50 71.05 3kf4 s THR 315 CO -0.01 -0.14 0.58 -1.84 -0.54 0.00 0.00 174.62 172.67 3kf4 n GLU 316 N -0.58 0.38 -3.09 3.99 0.28 -0.70 -1.02 120.64 119.90 3kf4 n GLU 316 Ca -0.03 0.17 -0.40 0.00 -0.16 0.00 0.00 57.16 56.73 3kf4 n GLU 316 Cb 0.65 -1.86 -0.06 0.00 1.43 0.00 0.00 31.44 31.61 3kf4 n GLU 316 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 3kf4 s PHE 317 N -1.85 3.34 -0.37 -1.84 5.36 -1.26 -4.03 117.98 117.34 3kf4 s PHE 317 Ca 0.67 0.92 -0.18 0.00 -0.96 0.00 0.00 56.93 57.38 3kf4 s PHE 317 Cb -0.37 -2.84 0.00 0.00 -0.34 0.00 0.00 43.02 39.48 3kf4 s PHE 317 CO 0.56 -0.24 0.52 -1.64 -1.46 0.00 0.00 175.22 172.96 3kf4 s MET 318 N 2.18 3.53 0.50 10.12 -1.94 -1.26 -4.98 119.30 127.45 3kf4 s MET 318 Ca 0.29 -0.24 0.15 0.00 -1.71 0.00 0.00 55.69 54.17 3kf4 s MET 318 Cb -0.16 -3.84 1.18 0.00 2.01 0.00 0.00 34.83 34.02 3kf4 s MET 318 CO 0.10 -0.70 2.12 1.15 -0.01 0.00 0.00 175.02 177.67 3kf4 h THR 319 N 5.65 1.03 -0.02 2.05 2.02 -1.90 -2.89 112.91 118.86 3kf4 h THR 319 Ca -0.27 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 66.79 3kf4 h THR 319 Cb 1.12 0.98 0.00 0.00 -1.74 0.00 0.00 68.15 68.51 3kf4 h THR 319 CO 0.79 0.04 -0.04 -1.22 0.37 0.00 0.00 175.52 175.46 3kf4 n TYR 320 N -4.50 0.00 -4.07 3.16 4.02 -0.02 -5.02 117.16 110.74 3kf4 n TYR 320 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.87 3kf4 n TYR 320 Cb 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.43 3kf4 n TYR 320 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3kf4 n GLY 321 N 1.09 -1.12 3.78 2.72 0.00 -1.09 -4.76 105.19 105.81 3kf4 n GLY 321 Ca 0.11 -1.24 -0.37 0.00 0.00 0.00 0.00 46.02 44.52 3kf4 n GLY 321 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kf4 s ASN 322 N -4.00 6.93 0.43 1.61 2.20 -1.26 -0.45 114.94 120.40 3kf4 s ASN 322 Ca 0.00 1.98 0.09 0.00 -0.94 0.00 0.00 52.86 53.99 3kf4 s ASN 322 Cb 0.00 -2.58 0.93 0.00 -2.00 0.00 0.00 41.25 37.59 3kf4 s ASN 322 CO 0.00 -0.37 2.06 0.25 -2.94 0.00 0.00 177.10 176.11 3kf4 h LEU 323 N 2.69 0.36 0.08 3.54 5.85 -0.73 -2.27 115.31 124.84 3kf4 h LEU 323 Ca -0.48 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.22 3kf4 h LEU 323 Cb 1.21 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.15 3kf4 h LEU 323 CO 0.63 0.29 -0.04 0.25 -0.34 0.00 0.00 178.44 179.23 3kf4 h LEU 324 N 0.42 -0.09 -1.12 2.25 5.85 -1.80 0.13 115.31 120.95 3kf4 h LEU 324 Ca 0.11 -0.23 -0.07 0.00 0.84 0.00 0.00 57.88 58.53 3kf4 h LEU 324 Cb -0.01 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 3kf4 h LEU 324 CO -0.02 0.18 -0.13 0.44 -0.34 0.00 0.00 178.44 178.57 3kf4 h ASP 325 N -0.37 0.45 -0.07 1.25 3.32 -1.88 -1.41 116.42 117.72 3kf4 h ASP 325 Ca -0.01 -0.12 0.03 0.00 0.02 0.00 0.00 57.03 56.95 3kf4 h ASP 325 Cb 0.32 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.72 3kf4 h ASP 325 CO 0.02 0.61 -0.09 0.22 -1.72 0.00 0.00 179.24 178.28 3kf4 h TYR 326 N 0.43 -0.23 -0.91 4.55 3.20 -1.11 -1.59 116.97 121.31 3kf4 h TYR 326 Ca 0.08 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.96 3kf4 h TYR 326 Cb 0.49 0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.83 3kf4 h TYR 326 CO 0.02 -0.14 0.56 -0.07 -1.64 0.00 0.00 178.16 176.88 3kf4 h LEU 327 N -0.13 1.08 -1.26 2.82 3.38 -0.65 -1.19 115.31 119.36 3kf4 h LEU 327 Ca 0.06 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 3kf4 h LEU 327 Cb 0.21 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3kf4 h LEU 327 CO -0.14 0.82 -0.25 0.03 0.09 0.00 0.00 178.44 178.98 3kf4 h ARG 328 N 1.25 0.00 -0.13 1.13 3.08 -0.74 -3.17 114.38 115.80 3kf4 h ARG 328 Ca 0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.38 3kf4 h ARG 328 Cb -0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.98 3kf4 h ARG 328 CO -0.06 0.25 0.00 0.39 -1.07 0.00 0.00 179.97 179.48 3kf4 n GLU 329 N -3.53 1.47 -1.80 0.04 1.02 -0.65 -5.06 120.64 112.12 3kf4 n GLU 329 Ca -0.01 -1.44 -0.31 0.00 -0.02 0.00 0.00 57.16 55.38 3kf4 n GLU 329 Cb 0.41 -1.19 0.02 0.00 -0.02 0.00 0.00 31.44 30.66 3kf4 n GLU 329 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kf4 s ASN 331 N -3.83 6.60 0.00 0.00 3.84 -1.26 -4.94 114.94 115.34 3kf4 s ASN 331 Ca 0.57 0.46 0.25 0.00 0.21 0.00 0.00 52.86 54.34 3kf4 s ASN 331 Cb -0.12 -2.41 1.20 0.00 -0.55 0.00 0.00 41.25 39.36 3kf4 s ASN 331 CO 0.51 -0.74 1.82 0.54 -2.79 0.00 0.00 177.10 176.44 3kf4 n ARG 332 N 6.47 0.26 0.09 0.43 1.74 -1.26 0.39 116.66 124.78 3kf4 n ARG 332 Ca 0.04 0.06 -0.06 0.00 -0.77 0.00 0.00 57.85 57.12 3kf4 n ARG 332 Cb 0.48 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.42 3kf4 n ARG 332 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3kf4 h GLN 333 N 0.00 0.04 0.06 5.56 7.50 -1.99 -3.19 115.11 123.09 3kf4 h GLN 333 Ca 0.00 -0.05 -0.00 0.00 0.50 0.00 0.00 58.65 59.10 3kf4 h GLN 333 Cb 0.28 0.02 0.00 0.00 0.05 0.00 0.00 27.48 27.83 3kf4 h GLN 333 CO 0.00 0.87 -0.03 0.93 -1.50 0.00 0.00 178.83 179.10 3kf4 h GLU 334 N 0.02 -0.07 -4.86 1.46 4.39 -1.43 -3.39 114.58 110.70 3kf4 h GLU 334 Ca -0.02 0.01 -0.73 0.00 0.34 0.00 0.00 59.36 58.96 3kf4 h GLU 334 Cb 1.49 0.02 -0.16 0.00 -0.10 0.00 0.00 28.75 30.00 3kf4 h GLU 334 CO 0.12 0.25 1.57 0.28 -1.16 0.00 0.00 179.01 180.07 3kf4 n VAL 335 N -4.79 4.20 -2.97 3.13 0.31 0.16 -4.82 118.33 113.55 3kf4 n VAL 335 Ca -0.04 -4.58 -0.20 0.00 -0.01 0.00 0.00 64.34 59.51 3kf4 n VAL 335 Cb 0.18 -2.44 0.07 0.00 -0.91 0.00 0.00 33.84 30.73 3kf4 n VAL 335 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3kf4 s SER 336 N 2.95 5.02 0.31 4.52 1.04 -1.20 -4.46 113.70 121.87 3kf4 s SER 336 Ca 0.45 -0.75 0.07 0.00 0.48 0.00 0.00 55.95 56.19 3kf4 s SER 336 Cb -0.01 0.20 0.84 0.00 0.10 0.00 0.00 66.02 67.15 3kf4 s SER 336 CO 0.02 -1.39 1.69 0.00 0.98 0.00 0.00 173.24 174.54 3kf4 h ALA 337 N 0.09 1.61 -0.09 5.32 0.00 -1.92 0.32 119.26 124.59 3kf4 h ALA 337 Ca -0.31 0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 3kf4 h ALA 337 Cb 1.28 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 3kf4 h ALA 337 CO 0.41 -0.38 -0.44 -0.24 0.00 0.00 0.00 179.25 178.60 3kf4 h VAL 338 N 0.41 1.32 -0.11 0.00 3.04 -1.93 -2.36 116.25 116.63 3kf4 h VAL 338 Ca 0.61 -1.57 -0.16 0.00 -1.01 0.00 0.00 66.70 64.57 3kf4 h VAL 338 Cb 1.23 1.74 -0.01 0.00 -2.01 0.00 0.00 31.29 32.24 3kf4 h VAL 338 CO -0.54 0.47 -0.62 0.58 -1.01 0.00 0.00 177.57 176.44 3kf4 h VAL 339 N 0.16 1.36 -0.89 1.51 2.07 -0.74 -0.65 116.25 119.08 3kf4 h VAL 339 Ca 0.01 -1.96 0.01 0.00 0.82 0.00 0.00 66.70 65.58 3kf4 h VAL 339 Cb 0.84 1.96 -0.05 0.00 -1.52 0.00 0.00 31.29 32.52 3kf4 h VAL 339 CO 0.07 0.59 0.59 -0.07 0.02 0.00 0.00 177.57 178.77 3kf4 h LEU 340 N 0.29 1.01 -0.61 2.57 3.38 -0.96 0.18 115.31 121.18 3kf4 h LEU 340 Ca -0.01 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.83 3kf4 h LEU 340 Cb 1.16 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 3kf4 h LEU 340 CO 0.11 0.73 -0.11 -0.07 0.09 0.00 0.00 178.44 179.19 3kf4 h LEU 341 N 1.19 0.99 -0.67 1.67 3.38 -1.19 -2.50 115.31 118.19 3kf4 h LEU 341 Ca 0.33 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.99 3kf4 h LEU 341 Cb -0.12 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.32 3kf4 h LEU 341 CO -0.08 1.10 0.43 0.22 0.09 0.00 0.00 178.44 180.21 3kf4 h TYR 342 N 0.88 0.82 -0.30 1.13 3.20 -0.72 0.03 116.97 122.00 3kf4 h TYR 342 Ca 0.14 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.03 3kf4 h TYR 342 Cb 0.66 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.64 3kf4 h TYR 342 CO 0.04 0.50 0.20 0.52 -1.64 0.00 0.00 178.16 177.78 3kf4 h MET 343 N 0.87 0.40 -0.26 1.82 2.86 -0.78 -1.00 114.93 118.84 3kf4 h MET 343 Ca 0.25 -0.03 -0.08 0.00 -2.06 0.00 0.00 59.70 57.79 3kf4 h MET 343 Cb -0.06 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.50 3kf4 h MET 343 CO -0.07 0.27 -0.18 0.00 1.06 0.00 0.00 176.91 177.99 3kf4 h ALA 344 N 1.11 1.22 -0.59 6.32 0.00 -1.24 -1.89 119.26 124.19 3kf4 h ALA 344 Ca 0.11 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 3kf4 h ALA 344 Cb -0.04 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3kf4 h ALA 344 CO -0.02 0.51 0.17 1.15 0.00 0.00 0.00 179.25 181.05 3kf4 h THR 345 N 0.41 1.25 -0.23 0.00 2.02 -0.51 -1.57 112.91 114.27 3kf4 h THR 345 Ca 0.07 -0.86 -0.09 0.00 0.77 0.00 0.00 66.41 66.31 3kf4 h THR 345 Cb 0.55 0.68 -0.00 0.00 -1.74 0.00 0.00 68.15 67.64 3kf4 h THR 345 CO 0.04 0.32 -0.19 1.56 0.37 0.00 0.00 175.52 177.62 3kf4 h GLN 346 N 0.84 0.54 -0.41 6.66 4.20 -0.94 -0.47 115.11 125.53 3kf4 h GLN 346 Ca 0.19 -0.27 -0.06 0.00 0.06 0.00 0.00 58.65 58.57 3kf4 h GLN 346 Cb 0.32 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 3kf4 h GLN 346 CO -0.00 0.84 0.01 0.82 -0.67 0.00 0.00 178.83 179.83 3kf4 h ILE 347 N 0.24 1.26 0.00 2.54 2.04 -1.36 -2.33 117.51 119.89 3kf4 h ILE 347 Ca 0.04 -0.99 -0.08 0.00 1.00 0.00 0.00 64.86 64.83 3kf4 h ILE 347 Cb 0.72 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 3kf4 h ILE 347 CO 0.05 0.34 -0.38 0.77 0.00 0.00 0.00 178.15 178.92 3kf4 h SER 348 N 0.55 0.00 0.01 1.72 4.64 -1.27 -0.60 113.55 118.60 3kf4 h SER 348 Ca 0.12 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.44 3kf4 h SER 348 Cb 0.46 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.54 3kf4 h SER 348 CO 0.02 0.38 -0.04 -1.28 -0.87 0.00 0.00 176.83 175.04 3kf4 h SER 349 N 0.00 -0.10 -0.86 4.97 0.87 -0.81 0.16 113.55 117.77 3kf4 h SER 349 Ca -0.00 0.01 0.03 0.00 -1.23 0.00 0.00 61.79 60.60 3kf4 h SER 349 Cb 0.81 0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 62.76 3kf4 h SER 349 CO 0.05 -0.06 0.56 0.00 -0.53 0.00 0.00 176.83 176.85 3kf4 h ALA 350 N 0.91 1.13 -0.02 6.23 0.00 -1.07 -2.41 119.26 124.02 3kf4 h ALA 350 Ca 0.01 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 3kf4 h ALA 350 Cb 0.08 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3kf4 h ALA 350 CO -0.03 0.43 -0.68 0.52 0.00 0.00 0.00 179.25 179.49 3kf4 h MET 351 N 1.11 0.10 -0.57 0.00 2.86 -0.88 -1.81 114.93 115.73 3kf4 h MET 351 Ca 0.34 -0.08 -0.04 0.00 -2.06 0.00 0.00 59.70 57.86 3kf4 h MET 351 Cb -0.03 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.62 3kf4 h MET 351 CO -0.10 0.73 0.19 1.49 1.06 0.00 0.00 176.91 180.28 3kf4 h GLU 352 N 0.07 0.85 0.12 1.72 4.81 -0.53 0.24 114.58 121.86 3kf4 h GLU 352 Ca -0.01 -0.15 -0.01 0.00 -0.13 0.00 0.00 59.36 59.06 3kf4 h GLU 352 Cb 1.20 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.44 3kf4 h GLU 352 CO 0.09 0.73 -0.06 -0.92 -0.73 0.00 0.00 179.01 178.12 3kf4 h TYR 353 N 0.83 -0.16 -0.81 0.92 3.20 -1.13 -2.05 116.97 117.77 3kf4 h TYR 353 Ca 0.19 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.08 3kf4 h TYR 353 Cb 0.22 0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.50 3kf4 h TYR 353 CO 0.01 0.08 0.54 -0.07 -1.64 0.00 0.00 178.16 177.09 3kf4 h LEU 354 N -0.38 0.90 -0.22 2.82 3.38 -1.04 -0.60 115.31 120.17 3kf4 h LEU 354 Ca -0.02 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 57.97 3kf4 h LEU 354 Cb 0.31 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 3kf4 h LEU 354 CO 0.03 0.64 0.02 -0.08 0.09 0.00 0.00 178.44 179.13 3kf4 h GLU 355 N 1.06 0.09 0.00 1.13 4.81 -0.33 0.81 114.58 122.14 3kf4 h GLU 355 Ca 0.31 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.53 3kf4 h GLU 355 Cb -0.05 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.31 3kf4 h GLU 355 CO -0.08 0.06 0.00 1.57 -0.73 0.00 0.00 179.01 179.83 3kf4 h LYS 356 N 0.09 0.00 0.00 1.92 2.10 -0.87 -1.84 116.57 117.97 3kf4 h LYS 356 Ca 0.10 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.75 3kf4 h LYS 356 Cb 0.12 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.45 3kf4 h LYS 356 CO -0.16 0.00 0.00 1.63 -2.00 0.00 0.00 179.45 178.92 3kf4 n LYS 357 N -2.89 0.60 -2.96 0.07 5.02 -0.28 -4.89 118.16 112.82 3kf4 n LYS 357 Ca 0.04 0.02 -0.22 0.00 -2.02 0.00 0.00 58.31 56.13 3kf4 n LYS 357 Cb 0.47 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 34.00 3kf4 n LYS 357 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3kf4 n ASN 358 N -1.15 -5.80 -4.92 4.39 5.15 -0.52 -4.84 115.26 107.56 3kf4 n ASN 358 Ca 0.16 -0.25 -0.27 0.00 -0.60 0.00 0.00 54.58 53.62 3kf4 n ASN 358 Cb 0.16 -4.72 -0.03 0.00 -0.53 0.00 0.00 39.78 34.66 3kf4 n ASN 358 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 3kf4 s PHE 359 N -3.12 3.49 0.20 1.20 0.40 0.17 -0.69 117.98 119.62 3kf4 s PHE 359 Ca 0.27 0.55 0.10 0.00 -0.60 0.00 0.00 56.93 57.25 3kf4 s PHE 359 Cb -0.12 -2.04 -0.04 0.00 0.51 0.00 0.00 43.02 41.33 3kf4 s PHE 359 CO 0.33 0.16 -0.14 0.96 0.70 0.00 0.00 175.22 177.23 3kf4 s ILE 360 N -2.15 2.91 -0.24 0.64 -4.36 0.20 -4.36 121.20 113.83 3kf4 s ILE 360 Ca 0.43 -1.86 -0.16 0.00 -0.26 0.00 0.00 60.65 58.80 3kf4 s ILE 360 Cb -0.10 -2.45 -0.12 0.00 1.25 0.00 0.00 42.46 41.04 3kf4 s ILE 360 CO 0.32 -0.17 -0.25 1.57 0.24 0.00 0.00 174.94 176.66 3kf4 n HIS 361 N -0.05 0.23 -0.97 1.37 -0.00 -1.26 -1.29 115.22 113.24 3kf4 n HIS 361 Ca -0.10 0.10 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 3kf4 n HIS 361 Cb 0.56 -0.91 0.00 0.00 -0.00 0.00 0.00 29.99 29.64 3kf4 n HIS 361 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 3kf4 n ARG 362 N -4.34 0.00 -2.73 1.57 1.74 -1.26 -2.84 116.66 108.80 3kf4 n ARG 362 Ca -0.41 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 56.64 3kf4 n ARG 362 Cb 0.75 -2.55 0.09 0.00 -1.02 0.00 0.00 32.46 29.73 3kf4 n ARG 362 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3kf4 n ASP 363 N 0.00 -0.27 -4.70 0.55 -0.08 -1.26 -4.98 116.55 105.81 3kf4 n ASP 363 Ca 0.00 -2.24 -0.42 0.00 -1.51 0.00 0.00 54.79 50.62 3kf4 n ASP 363 Cb 0.00 0.24 -0.03 0.00 2.34 0.00 0.00 41.12 43.67 3kf4 n ASP 363 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 3kf4 s LEU 364 N -3.80 4.38 -0.20 -2.67 1.02 -1.26 -4.83 118.68 111.33 3kf4 s LEU 364 Ca 0.18 2.62 -0.33 0.00 0.02 0.00 0.00 54.13 56.62 3kf4 s LEU 364 Cb 0.40 -3.57 0.15 0.00 0.02 0.00 0.00 46.19 43.19 3kf4 s LEU 364 CO -0.08 -0.92 1.19 0.00 0.02 0.00 0.00 176.35 176.56 3kf4 s ALA 365 N 2.36 -2.04 0.26 4.21 0.00 -1.26 -4.75 121.76 120.54 3kf4 s ALA 365 Ca 0.76 1.63 -0.04 0.00 0.00 0.00 0.00 51.96 54.31 3kf4 s ALA 365 Cb -0.43 -0.50 0.34 0.00 0.00 0.00 0.00 23.12 22.52 3kf4 s ALA 365 CO 0.33 -0.47 1.86 0.00 0.00 0.00 0.00 175.76 177.48 3kf4 h ALA 366 N 2.11 1.22 0.00 0.00 0.00 -1.93 -0.38 119.26 120.28 3kf4 h ALA 366 Ca -0.11 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3kf4 h ALA 366 Cb 1.17 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3kf4 h ALA 366 CO 0.24 0.59 0.00 2.89 0.00 0.00 0.00 179.25 182.97 3kf4 n ARG 367 N -4.32 0.15 -0.35 0.00 1.85 -1.26 -2.03 116.66 110.70 3kf4 n ARG 367 Ca 0.07 0.59 0.08 0.00 -1.00 0.00 0.00 57.85 57.58 3kf4 n ARG 367 Cb 0.15 -1.93 0.22 0.00 -1.05 0.00 0.00 32.46 29.85 3kf4 n ARG 367 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3kf4 n ASN 368 N -2.23 3.55 -4.55 2.89 3.02 -0.16 -4.74 115.26 113.04 3kf4 n ASN 368 Ca -0.01 -2.72 -0.27 0.00 -0.03 0.00 0.00 54.58 51.56 3kf4 n ASN 368 Cb 0.08 -0.45 -0.10 0.00 -0.61 0.00 0.00 39.78 38.70 3kf4 n ASN 368 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kf4 s LEU 370 N -2.72 2.27 -0.05 0.00 1.43 0.69 -0.59 118.68 119.72 3kf4 s LEU 370 Ca 0.24 -0.66 0.05 0.00 -1.03 0.00 0.00 54.13 52.73 3kf4 s LEU 370 Cb -0.09 -0.97 -0.02 0.00 0.03 0.00 0.00 46.19 45.14 3kf4 s LEU 370 CO 0.14 0.10 -0.20 -0.69 0.23 0.00 0.00 176.35 175.93 3kf4 s VAL 371 N -1.06 2.50 0.00 -1.59 1.01 0.41 -0.38 120.40 121.28 3kf4 s VAL 371 Ca 0.08 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.14 3kf4 s VAL 371 Cb -0.10 -1.94 0.00 0.00 0.00 0.00 0.00 36.38 34.34 3kf4 s VAL 371 CO 0.04 0.58 0.00 0.61 0.00 0.00 0.00 175.10 176.33 3kf4 n GLY 372 N 2.65 6.37 3.76 4.51 0.00 0.17 -0.84 105.19 121.81 3kf4 n GLY 372 Ca -0.17 -2.01 -0.38 0.00 0.00 0.00 0.00 46.02 43.46 3kf4 n GLY 372 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kf4 s GLU 373 N 1.53 3.36 -1.44 1.61 0.41 -1.26 -3.48 118.70 119.43 3kf4 s GLU 373 Ca 0.00 2.10 -0.09 0.00 -0.41 0.00 0.00 54.97 56.56 3kf4 s GLU 373 Cb 0.00 -2.32 0.03 0.00 -1.78 0.00 0.00 34.13 30.06 3kf4 s GLU 373 CO 0.00 -0.97 0.98 0.09 -0.49 0.00 0.00 175.26 174.87 3kf4 n ASN 374 N -0.81 -5.85 -1.82 -0.19 3.02 -1.26 -2.07 115.26 106.28 3kf4 n ASN 374 Ca 0.09 -0.53 -0.20 0.00 -0.03 0.00 0.00 54.58 53.91 3kf4 n ASN 374 Cb 0.46 -4.65 -0.06 0.00 -0.61 0.00 0.00 39.78 34.92 3kf4 n ASN 374 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3kf4 n HIS 375 N -4.78 -0.38 -1.69 3.10 8.25 -1.23 -4.94 115.22 113.56 3kf4 n HIS 375 Ca -0.01 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.02 3kf4 n HIS 375 Cb 0.56 -3.55 -0.03 0.00 1.12 0.00 0.00 29.99 28.09 3kf4 n HIS 375 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 3kf4 n LEU 376 N -2.50 3.84 -4.23 2.41 7.94 -0.88 -4.81 117.00 118.77 3kf4 n LEU 376 Ca -0.21 1.02 -0.28 0.00 -1.11 0.00 0.00 56.01 55.42 3kf4 n LEU 376 Cb 0.66 -1.52 -0.16 0.00 0.53 0.00 0.00 43.42 42.93 3kf4 n LEU 376 CO 0.29 0.09 -0.54 -0.69 -1.11 0.00 0.00 177.39 175.44 3kf4 s VAL 377 N 2.18 1.73 0.01 1.96 1.01 -1.26 0.45 120.40 126.49 3kf4 s VAL 377 Ca 0.81 -0.92 0.04 0.00 0.00 0.00 0.00 61.98 61.90 3kf4 s VAL 377 Cb -0.53 -1.45 -0.01 0.00 0.00 0.00 0.00 36.38 34.38 3kf4 s VAL 377 CO 0.37 0.49 -0.11 -0.54 0.00 0.00 0.00 175.10 175.31 3kf4 s LYS 378 N -0.34 0.84 0.35 2.72 1.02 0.49 -4.69 119.74 120.13 3kf4 s LYS 378 Ca 0.04 -0.52 -0.26 0.00 0.02 0.00 0.00 55.97 55.24 3kf4 s LYS 378 Cb -0.10 -0.81 -0.09 0.00 -0.52 0.00 0.00 37.83 36.31 3kf4 s LYS 378 CO 0.01 0.21 1.09 0.08 -0.92 0.00 0.00 175.35 175.82 3kf4 s VAL 379 N -0.52 3.54 0.00 3.17 1.01 0.06 -0.22 120.40 127.44 3kf4 s VAL 379 Ca 0.02 1.35 0.00 0.00 0.00 0.00 0.00 61.98 63.35 3kf4 s VAL 379 Cb -0.06 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.54 3kf4 s VAL 379 CO 0.00 0.17 0.00 0.00 0.00 0.00 0.00 175.10 175.27 3kf4 n ALA 380 N 0.49 0.00 -2.65 5.51 0.00 -0.59 -1.56 120.51 121.71 3kf4 n ALA 380 Ca 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.43 3kf4 n ALA 380 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 3kf4 n ALA 380 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3kf4 n ASP 381 N -2.78 -6.61 -1.52 0.00 8.00 -1.26 -4.83 116.55 107.54 3kf4 n ASP 381 Ca 0.00 0.17 0.08 0.00 0.71 0.00 0.00 54.79 55.75 3kf4 n ASP 381 Cb 0.00 -4.42 0.35 0.00 -0.02 0.00 0.00 41.12 37.03 3kf4 n ASP 381 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3kf4 n PHE 382 N -1.01 1.56 0.14 1.24 3.01 -1.26 -4.63 117.46 116.51 3kf4 n PHE 382 Ca 0.04 -0.70 0.15 0.00 1.01 0.00 0.00 57.45 57.95 3kf4 n PHE 382 Cb 0.43 -0.35 0.70 0.00 -0.01 0.00 0.00 39.48 40.26 3kf4 n PHE 382 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 3kf4 h GLY 383 N 3.49 0.00 -1.72 1.37 0.00 -1.90 -0.99 103.07 103.32 3kf4 h GLY 383 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3kf4 h GLY 383 CO 0.32 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.90 3kf4 n LEU 384 N -4.32 2.98 -4.81 3.11 4.77 -1.26 -4.65 117.00 112.82 3kf4 n LEU 384 Ca 0.03 -1.53 -0.33 0.00 -0.03 0.00 0.00 56.01 54.15 3kf4 n LEU 384 Cb 0.34 -0.19 -0.00 0.00 -2.33 0.00 0.00 43.42 41.24 3kf4 n LEU 384 CO 0.34 0.66 0.71 -0.44 -1.33 0.00 0.00 177.39 177.33 3kf4 s SER 385 N -1.21 6.01 0.06 -1.43 0.01 -0.38 -4.66 113.70 112.10 3kf4 s SER 385 Ca 0.29 1.80 -0.26 0.00 1.31 0.00 0.00 55.95 59.08 3kf4 s SER 385 Cb 0.17 -2.53 0.08 0.00 0.21 0.00 0.00 66.02 63.94 3kf4 s SER 385 CO 0.23 -1.01 0.70 0.00 0.41 0.00 0.00 173.24 173.57 3kf4 s ARG 386 N -3.93 1.10 0.01 12.44 1.70 -0.41 -4.97 118.95 124.88 3kf4 s ARG 386 Ca 0.63 -0.22 -0.30 0.00 -0.47 0.00 0.00 55.73 55.37 3kf4 s ARG 386 Cb -0.15 0.51 -0.03 0.00 -0.57 0.00 0.00 34.95 34.71 3kf4 s ARG 386 CO 0.33 -0.44 0.99 -1.17 -1.08 0.00 0.00 175.30 173.92 3kf4 s LEU 387 N -2.22 4.38 0.21 -1.89 2.96 -1.26 -0.63 118.68 120.22 3kf4 s LEU 387 Ca -0.01 1.68 -0.28 0.00 -0.22 0.00 0.00 54.13 55.30 3kf4 s LEU 387 Cb -0.01 -3.57 -0.08 0.00 0.50 0.00 0.00 46.19 43.03 3kf4 s LEU 387 CO -0.06 -0.25 0.88 -0.32 -1.32 0.00 0.00 176.35 175.28 3kf4 s MET 388 N 0.93 4.75 -0.14 1.98 1.75 0.14 -4.95 119.30 123.75 3kf4 s MET 388 Ca 0.52 1.37 0.12 0.00 -1.25 0.00 0.00 55.69 56.45 3kf4 s MET 388 Cb -0.22 -3.28 -0.18 0.00 2.84 0.00 0.00 34.83 34.00 3kf4 s MET 388 CO 0.28 0.52 0.04 0.25 -0.65 0.00 0.00 175.02 175.46 3kf4 n THR 389 N 1.61 1.00 -4.19 10.11 -2.24 -1.26 -4.98 114.28 114.32 3kf4 n THR 389 Ca -0.03 -0.61 -0.16 0.00 -2.27 0.00 0.00 64.05 60.99 3kf4 n THR 389 Cb 0.48 -0.64 -0.02 0.00 -2.10 0.00 0.00 70.33 68.05 3kf4 n THR 389 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kf4 n GLY 390 N 2.13 3.59 0.20 3.38 0.00 -1.26 -5.03 105.19 108.20 3kf4 n GLY 390 Ca -0.24 -2.28 0.05 0.00 0.00 0.00 0.00 46.02 43.55 3kf4 n GLY 390 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3kf4 h ASP 391 N 0.55 0.00 -4.30 1.61 3.32 -1.96 -3.44 116.42 112.19 3kf4 h ASP 391 Ca -0.21 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.27 3kf4 h ASP 391 Cb 0.66 0.00 -0.30 0.00 0.22 0.00 0.00 39.33 39.91 3kf4 h ASP 391 CO 0.34 0.32 -0.84 -0.89 -1.72 0.00 0.00 179.24 176.45 3kf4 s THR 392 N -4.10 1.47 -0.09 0.35 2.01 -1.26 -4.65 115.64 109.37 3kf4 s THR 392 Ca -0.02 -0.79 -0.02 0.00 0.31 0.00 0.00 61.69 61.17 3kf4 s THR 392 Cb 0.14 -1.23 -0.03 0.00 0.01 0.00 0.00 72.50 71.39 3kf4 s THR 392 CO 0.69 0.42 -0.00 -0.47 -0.69 0.00 0.00 174.62 174.57 3kf4 s TYR 393 N -0.38 3.14 -0.26 4.92 6.14 0.58 -4.93 117.35 126.56 3kf4 s TYR 393 Ca 0.06 0.18 -0.04 0.00 0.64 0.00 0.00 57.07 57.91 3kf4 s TYR 393 Cb -0.08 -1.79 0.01 0.00 0.42 0.00 0.00 41.96 40.53 3kf4 s TYR 393 CO -0.00 0.45 -0.01 0.99 0.64 0.00 0.00 175.55 177.62 3kf4 s THR 394 N -0.86 3.35 0.64 4.34 2.01 -1.26 0.32 115.64 124.18 3kf4 s THR 394 Ca 0.13 -0.81 -0.14 0.00 0.31 0.00 0.00 61.69 61.18 3kf4 s THR 394 Cb -0.11 -2.68 -0.01 0.00 0.01 0.00 0.00 72.50 69.70 3kf4 s THR 394 CO 0.02 0.20 1.07 0.00 -0.69 0.00 0.00 174.62 175.22 3kf4 s ALA 395 N 1.42 2.63 0.82 7.40 0.00 -0.48 -4.97 121.76 128.58 3kf4 s ALA 395 Ca 0.02 0.37 -0.12 0.00 0.00 0.00 0.00 51.96 52.23 3kf4 s ALA 395 Cb -0.16 -3.25 0.09 0.00 0.00 0.00 0.00 23.12 19.80 3kf4 s ALA 395 CO -0.02 -1.06 1.15 -3.38 0.00 0.00 0.00 175.76 172.46 3kf4 s HIS 396 N -2.55 2.00 0.33 0.00 -3.43 -1.26 -4.87 115.29 105.51 3kf4 s HIS 396 Ca 0.63 1.68 0.06 0.00 -0.80 0.00 0.00 55.06 56.63 3kf4 s HIS 396 Cb -0.17 -3.31 0.73 0.00 -1.43 0.00 0.00 32.58 28.40 3kf4 s HIS 396 CO 0.42 -2.48 1.86 0.00 -2.00 0.00 0.00 174.74 172.54 3kf4 h ALA 397 N -1.14 1.73 -0.08 -1.38 0.00 -2.00 -1.13 119.26 115.25 3kf4 h ALA 397 Ca -0.45 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3kf4 h ALA 397 Cb 1.27 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3kf4 h ALA 397 CO 0.47 0.03 0.00 0.41 0.00 0.00 0.00 179.25 180.15 3kf4 n GLY 398 N -1.40 -0.30 3.77 0.00 0.00 -1.26 -4.95 105.19 101.04 3kf4 n GLY 398 Ca 0.18 -0.29 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 3kf4 n GLY 398 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kf4 s ALA 399 N -1.89 3.25 0.18 4.61 0.00 -0.43 -5.03 121.76 122.45 3kf4 s ALA 399 Ca 0.31 1.02 0.10 0.00 0.00 0.00 0.00 51.96 53.40 3kf4 s ALA 399 Cb 0.16 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.84 3kf4 s ALA 399 CO 0.25 -0.52 -0.22 0.15 0.00 0.00 0.00 175.76 175.42 3kf4 s LYS 400 N -2.09 1.40 0.15 0.00 1.02 -1.26 -5.04 119.74 113.92 3kf4 s LYS 400 Ca 0.54 -1.46 0.05 0.00 0.02 0.00 0.00 55.97 55.12 3kf4 s LYS 400 Cb -0.33 -1.64 -0.04 0.00 -0.52 0.00 0.00 37.83 35.30 3kf4 s LYS 400 CO 0.42 0.35 -0.11 -0.06 -0.92 0.00 0.00 175.35 175.03 3kf4 s PHE 401 N -1.75 1.33 -0.62 3.18 0.08 -1.26 -5.07 117.98 113.86 3kf4 s PHE 401 Ca 0.18 -0.69 -0.27 0.00 0.12 0.00 0.00 56.93 56.26 3kf4 s PHE 401 Cb -0.07 -0.67 0.01 0.00 -0.57 0.00 0.00 43.02 41.71 3kf4 s PHE 401 CO 0.08 0.12 1.51 -1.25 -0.10 0.00 0.00 175.22 175.58 3kf4 s PRO 402 N -3.48 3.08 0.28 0.24 0.04 -1.26 -4.87 135.00 129.03 3kf4 s PRO 402 Ca 0.15 0.32 0.01 0.00 0.04 0.00 0.00 61.00 61.51 3kf4 s PRO 402 Cb 0.00 -4.22 0.52 0.00 0.04 0.00 0.00 34.50 30.85 3kf4 s PRO 402 CO 0.02 -2.22 1.85 0.82 0.04 0.00 0.00 177.00 177.51 3kf4 h ILE 403 N 6.43 0.97 0.00 0.56 2.04 -1.97 -1.73 117.51 123.80 3kf4 h ILE 403 Ca -0.27 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.23 3kf4 h ILE 403 Cb 1.10 -0.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 3kf4 h ILE 403 CO 1.22 0.19 0.00 0.29 0.00 0.00 0.00 178.15 179.85 3kf4 n LYS 404 N -4.57 0.02 0.00 2.37 5.02 -1.26 -2.01 118.16 117.73 3kf4 n LYS 404 Ca 0.18 0.13 0.08 0.00 -2.02 0.00 0.00 58.31 56.68 3kf4 n LYS 404 Cb 0.30 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 33.86 3kf4 n LYS 404 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 3kf4 n TRP 405 N -1.49 0.00 -3.55 2.13 8.01 -0.66 -4.97 117.44 116.91 3kf4 n TRP 405 Ca 0.05 0.00 -0.37 0.00 -1.31 0.00 0.00 57.50 55.88 3kf4 n TRP 405 Cb 0.24 0.00 -0.08 0.00 -2.01 0.00 0.00 31.31 29.46 3kf4 n TRP 405 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.69 177.67 3kf4 s THR 406 N -1.57 5.30 0.71 -0.99 2.01 -0.85 -3.98 115.64 116.28 3kf4 s THR 406 Ca 0.18 0.47 -0.15 0.00 0.31 0.00 0.00 61.69 62.49 3kf4 s THR 406 Cb 0.14 -3.61 0.03 0.00 0.01 0.00 0.00 72.50 69.07 3kf4 s THR 406 CO 0.28 0.35 1.18 0.00 -0.69 0.00 0.00 174.62 175.74 3kf4 s ALA 407 N 0.78 2.20 0.15 7.40 0.00 -1.26 -4.71 121.76 126.32 3kf4 s ALA 407 Ca 0.14 0.80 -0.19 0.00 0.00 0.00 0.00 51.96 52.71 3kf4 s ALA 407 Cb -0.13 -3.43 0.05 0.00 0.00 0.00 0.00 23.12 19.60 3kf4 s ALA 407 CO 0.04 -1.73 1.66 -1.35 0.00 0.00 0.00 175.76 174.38 3kf4 h PRO 408 N -0.21 -0.09 0.00 0.00 0.11 -1.96 -0.15 132.00 129.69 3kf4 h PRO 408 Ca -0.47 0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 3kf4 h PRO 408 Cb 1.28 0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.41 3kf4 h PRO 408 CO 0.51 -0.06 -0.08 1.05 -0.21 0.00 0.00 178.00 179.21 3kf4 h GLU 409 N -0.10 0.00 0.02 1.05 9.09 -1.88 0.40 114.58 123.17 3kf4 h GLU 409 Ca 0.15 0.00 -0.23 0.00 0.05 0.00 0.00 59.36 59.34 3kf4 h GLU 409 Cb 0.33 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 27.45 3kf4 h GLU 409 CO -0.36 0.08 -0.90 0.77 0.05 0.00 0.00 179.01 178.65 3kf4 h SER 410 N 0.00 0.76 -0.31 3.06 0.02 -1.25 -0.35 113.55 115.48 3kf4 h SER 410 Ca -0.00 -0.76 -0.02 0.00 -0.84 0.00 0.00 61.79 60.17 3kf4 h SER 410 Cb 0.14 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 3kf4 h SER 410 CO 0.01 1.43 0.12 -0.07 -1.14 0.00 0.00 176.83 177.17 3kf4 h LEU 411 N 0.18 0.44 0.12 5.07 3.38 -0.56 -1.29 115.31 122.65 3kf4 h LEU 411 Ca -0.12 -0.18 -0.29 0.00 0.09 0.00 0.00 57.88 57.39 3kf4 h LEU 411 Cb 1.58 -0.11 0.02 0.00 0.09 0.00 0.00 40.66 42.24 3kf4 h LEU 411 CO 0.18 0.50 -1.27 0.00 0.09 0.00 0.00 178.44 177.93 3kf4 h ALA 412 N 0.96 0.05 0.00 1.53 0.00 -1.00 -3.40 119.26 117.40 3kf4 h ALA 412 Ca 0.10 -0.84 0.00 0.00 0.00 0.00 0.00 54.91 54.17 3kf4 h ALA 412 Cb 0.20 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3kf4 h ALA 412 CO -0.01 0.84 -0.08 0.66 0.00 0.00 0.00 179.25 180.67 3kf4 n TYR 413 N -3.64 0.00 -2.23 0.00 0.53 -0.15 -4.99 117.16 106.67 3kf4 n TYR 413 Ca -0.11 -0.21 -0.16 0.00 -1.02 0.00 0.00 57.90 56.39 3kf4 n TYR 413 Cb 1.02 -0.03 -0.02 0.00 -1.03 0.00 0.00 39.34 39.27 3kf4 n TYR 413 CO 0.00 0.00 0.00 0.09 -1.02 0.00 0.00 176.86 175.93 3kf4 n ASN 414 N -0.25 -4.76 -4.70 7.72 4.13 -0.49 -4.86 115.26 112.06 3kf4 n ASN 414 Ca 0.01 0.16 -0.38 0.00 1.68 0.00 0.00 54.58 56.05 3kf4 n ASN 414 Cb 0.48 -4.05 -0.07 0.00 -1.54 0.00 0.00 39.78 34.60 3kf4 n ASN 414 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 3kf4 s LYS 415 N -4.71 4.26 0.14 3.52 -0.14 -1.15 -1.38 119.74 120.28 3kf4 s LYS 415 Ca 0.00 0.35 0.08 0.00 -1.36 0.00 0.00 55.97 55.04 3kf4 s LYS 415 Cb 0.00 -3.49 -0.04 0.00 -1.68 0.00 0.00 37.83 32.62 3kf4 s LYS 415 CO 0.00 0.05 -0.18 -0.06 -0.76 0.00 0.00 175.35 174.40 3kf4 s PHE 416 N 1.00 1.72 0.22 3.18 0.40 0.15 -3.19 117.98 121.45 3kf4 s PHE 416 Ca 0.23 -0.47 -0.13 0.00 -0.60 0.00 0.00 56.93 55.95 3kf4 s PHE 416 Cb -0.15 -0.89 0.05 0.00 0.51 0.00 0.00 43.02 42.55 3kf4 s PHE 416 CO 0.09 0.26 0.66 -1.13 0.70 0.00 0.00 175.22 175.81 3kf4 n SER 417 N 0.52 -1.50 0.28 1.36 3.41 -1.26 -0.31 113.62 116.11 3kf4 n SER 417 Ca -0.15 -1.94 0.14 0.00 -0.26 0.00 0.00 58.87 56.66 3kf4 n SER 417 Cb 0.56 2.48 0.81 0.00 -0.26 0.00 0.00 64.21 67.80 3kf4 n SER 417 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 3kf4 h ILE 418 N 1.73 0.47 -0.02 -1.33 6.09 -1.87 -2.33 117.51 120.25 3kf4 h ILE 418 Ca -0.23 -0.38 -0.16 0.00 -1.37 0.00 0.00 64.86 62.73 3kf4 h ILE 418 Cb 0.90 1.25 -0.02 0.00 0.47 0.00 0.00 36.82 39.43 3kf4 h ILE 418 CO 0.29 0.08 -0.70 0.11 -3.07 0.00 0.00 178.15 174.86 3kf4 h LYS 419 N 0.00 0.12 0.00 2.19 1.79 -1.94 -1.38 116.57 117.35 3kf4 h LYS 419 Ca -0.00 -0.10 -0.10 0.00 -2.18 0.00 0.00 60.65 58.27 3kf4 h LYS 419 Cb 0.25 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.90 3kf4 h LYS 419 CO 0.01 0.77 -0.48 0.66 -1.08 0.00 0.00 179.45 179.33 3kf4 h SER 420 N 0.08 0.00 -0.81 0.86 4.64 -1.79 -1.98 113.55 114.55 3kf4 h SER 420 Ca -0.01 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3kf4 h SER 420 Cb 1.24 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.29 3kf4 h SER 420 CO 0.10 0.48 0.50 0.44 -0.87 0.00 0.00 176.83 177.48 3kf4 h ASP 421 N 0.00 0.97 -0.73 4.97 3.32 -1.17 -2.01 116.42 121.76 3kf4 h ASP 421 Ca -0.00 -0.06 -0.03 0.00 0.02 0.00 0.00 57.03 56.96 3kf4 h ASP 421 Cb 1.03 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 40.30 3kf4 h ASP 421 CO 0.06 0.74 0.36 0.58 -1.72 0.00 0.00 179.24 179.26 3kf4 h VAL 422 N 1.11 1.24 -0.42 -1.35 2.07 -0.79 0.62 116.25 118.72 3kf4 h VAL 422 Ca 0.29 -0.65 0.04 0.00 0.82 0.00 0.00 66.70 67.20 3kf4 h VAL 422 Cb -0.06 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 29.99 3kf4 h VAL 422 CO -0.06 0.28 0.20 -0.25 0.02 0.00 0.00 177.57 177.76 3kf4 h TRP 423 N 1.02 0.37 -0.48 1.57 2.91 -1.19 -0.50 115.95 119.65 3kf4 h TRP 423 Ca 0.25 0.02 -0.08 0.00 1.13 0.00 0.00 58.89 60.21 3kf4 h TRP 423 Cb 0.11 -0.10 -0.02 0.00 -0.51 0.00 0.00 29.16 28.63 3kf4 h TRP 423 CO 0.01 0.18 -0.01 0.00 -1.03 0.00 0.00 178.44 177.59 3kf4 h ALA 424 N 1.23 1.08 -1.00 2.65 0.00 -0.82 -1.94 119.26 120.46 3kf4 h ALA 424 Ca 0.19 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.85 3kf4 h ALA 424 Cb 0.11 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 3kf4 h ALA 424 CO -0.14 0.58 0.66 0.35 0.00 0.00 0.00 179.25 180.70 3kf4 h PHE 425 N 0.76 1.24 -0.51 0.00 3.57 -0.42 -0.36 116.94 121.23 3kf4 h PHE 425 Ca 0.14 0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.77 3kf4 h PHE 425 Cb 0.47 -0.42 -0.09 0.00 2.79 0.00 0.00 35.95 38.70 3kf4 h PHE 425 CO 0.03 0.75 -0.02 0.78 -2.23 0.00 0.00 178.31 177.62 3kf4 h GLY 426 N 1.31 0.49 0.96 2.40 0.00 -0.32 0.12 103.07 108.04 3kf4 h GLY 426 Ca 0.38 0.08 -0.03 0.00 0.00 0.00 0.00 47.33 47.76 3kf4 h GLY 426 CO -0.10 -0.15 0.15 -2.08 0.00 0.00 0.00 176.54 174.35 3kf4 h VAL 427 N 0.09 1.22 -0.68 4.60 2.07 -1.03 -2.25 116.25 120.28 3kf4 h VAL 427 Ca 0.25 -0.72 0.11 0.00 0.82 0.00 0.00 66.70 67.16 3kf4 h VAL 427 Cb 0.39 0.84 -0.08 0.00 -1.52 0.00 0.00 31.29 30.92 3kf4 h VAL 427 CO -0.44 0.26 0.29 0.25 0.02 0.00 0.00 177.57 177.95 3kf4 h LEU 428 N 0.59 0.32 -0.92 2.57 5.85 -0.73 0.36 115.31 123.35 3kf4 h LEU 428 Ca 0.15 0.08 0.11 0.00 0.84 0.00 0.00 57.88 59.06 3kf4 h LEU 428 Cb 0.26 0.04 -0.08 0.00 0.37 0.00 0.00 40.66 41.24 3kf4 h LEU 428 CO -0.01 0.17 0.55 -0.07 -0.34 0.00 0.00 178.44 178.75 3kf4 h LEU 429 N 0.48 0.79 -0.70 2.25 3.38 -0.37 0.06 115.31 121.21 3kf4 h LEU 429 Ca 0.35 0.05 -0.13 0.00 0.09 0.00 0.00 57.88 58.24 3kf4 h LEU 429 Cb 0.44 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3kf4 h LEU 429 CO -0.32 0.43 -0.41 -0.25 0.09 0.00 0.00 178.44 177.98 3kf4 h TRP 430 N 0.88 0.63 -0.77 1.13 7.01 -0.55 -0.11 115.95 124.16 3kf4 h TRP 430 Ca 0.45 -0.18 -0.04 0.00 2.11 0.00 0.00 58.89 61.24 3kf4 h TRP 430 Cb 0.45 -0.13 -0.03 0.00 -2.10 0.00 0.00 29.16 27.34 3kf4 h TRP 430 CO -0.03 0.85 0.34 0.93 -2.79 0.00 0.00 178.44 177.73 3kf4 h GLU 431 N 0.43 1.13 -0.23 2.65 5.08 0.03 -2.16 114.58 121.51 3kf4 h GLU 431 Ca 0.04 -0.19 -0.03 0.00 -1.00 0.00 0.00 59.36 58.18 3kf4 h GLU 431 Cb 0.90 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 3kf4 h GLU 431 CO 0.08 0.90 0.03 0.82 -1.00 0.00 0.00 179.01 179.84 3kf4 h ILE 432 N 1.10 1.23 0.00 3.13 2.04 -0.56 0.53 117.51 124.97 3kf4 h ILE 432 Ca 0.26 -0.77 -0.03 0.00 1.00 0.00 0.00 64.86 65.32 3kf4 h ILE 432 Cb 0.17 1.30 -0.00 0.00 -0.74 0.00 0.00 36.82 37.54 3kf4 h ILE 432 CO -0.03 0.24 -0.15 0.00 0.00 0.00 0.00 178.15 178.22 3kf4 h ALA 433 N 0.84 1.55 -0.55 1.87 0.00 -0.89 -1.38 119.26 120.71 3kf4 h ALA 433 Ca 0.07 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3kf4 h ALA 433 Cb 0.33 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3kf4 h ALA 433 CO 0.01 0.18 0.00 0.25 0.00 0.00 0.00 179.25 179.69 3kf4 n THR 434 N -4.07 0.73 -3.81 0.00 -2.24 -0.83 -4.86 114.28 99.20 3kf4 n THR 434 Ca -0.02 -0.80 -0.29 0.00 -2.27 0.00 0.00 64.05 60.67 3kf4 n THR 434 Cb 0.23 0.57 0.02 0.00 -2.10 0.00 0.00 70.33 69.05 3kf4 n THR 434 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3kf4 n TYR 435 N 1.35 -2.22 -0.35 4.78 4.01 -0.52 -3.51 117.16 120.70 3kf4 n TYR 435 Ca 0.21 0.83 0.00 0.00 -0.16 0.00 0.00 57.90 58.78 3kf4 n TYR 435 Cb 0.55 -3.87 0.00 0.00 -0.31 0.00 0.00 39.34 35.71 3kf4 n TYR 435 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kf4 n GLY 436 N -1.62 1.30 3.74 2.72 0.00 0.18 -3.62 105.19 107.89 3kf4 n GLY 436 Ca 0.03 -0.22 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 3kf4 n GLY 436 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3kf4 s MET 437 N -1.14 2.75 0.25 1.61 -1.94 -1.23 -4.88 119.30 114.73 3kf4 s MET 437 Ca 0.00 1.99 -0.30 0.00 -1.71 0.00 0.00 55.69 55.67 3kf4 s MET 437 Cb 0.00 -1.91 -0.09 0.00 2.01 0.00 0.00 34.83 34.84 3kf4 s MET 437 CO 0.00 -1.42 1.22 0.45 -0.01 0.00 0.00 175.02 175.26 3kf4 s SER 438 N -1.44 7.03 0.80 3.03 0.15 -1.26 -4.68 113.70 117.33 3kf4 s SER 438 Ca 0.80 2.38 -0.11 0.00 0.70 0.00 0.00 55.95 59.72 3kf4 s SER 438 Cb -0.35 -2.62 0.08 0.00 -1.71 0.00 0.00 66.02 61.41 3kf4 s SER 438 CO 0.38 -0.38 1.11 -2.84 1.20 0.00 0.00 173.24 172.71 3kf4 s PRO 439 N -0.90 1.96 -1.34 5.44 0.02 -1.26 -3.90 135.00 135.03 3kf4 s PRO 439 Ca 0.50 1.30 -0.23 0.00 0.02 0.00 0.00 61.00 62.59 3kf4 s PRO 439 Cb -0.35 -1.85 0.03 0.00 0.02 0.00 0.00 34.50 32.35 3kf4 s PRO 439 CO 0.42 -1.88 0.44 0.66 -0.33 0.00 0.00 177.00 176.30 3kf4 n TYR 440 N -3.62 -1.32 -1.68 6.54 4.02 -1.26 -4.76 117.16 115.07 3kf4 n TYR 440 Ca 0.10 0.24 -0.44 0.00 -0.01 0.00 0.00 57.90 57.79 3kf4 n TYR 440 Cb 0.53 -2.77 -0.04 0.00 -0.02 0.00 0.00 39.34 37.04 3kf4 n TYR 440 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 3kf4 n PRO 441 N -4.93 2.54 -1.22 -0.72 -0.04 -1.25 -1.74 135.00 127.64 3kf4 n PRO 441 Ca -0.19 0.92 -0.07 0.00 -0.04 0.00 0.00 63.50 64.12 3kf4 n PRO 441 Cb 0.61 -2.78 -0.03 0.00 -0.04 0.00 0.00 33.50 31.26 3kf4 n PRO 441 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3kf4 n GLY 442 N 4.07 0.95 3.37 0.55 0.00 -1.26 -5.01 105.19 107.86 3kf4 n GLY 442 Ca 0.19 -0.71 -0.35 0.00 0.00 0.00 0.00 46.02 45.14 3kf4 n GLY 442 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kf4 s ILE 443 N -2.27 3.74 0.35 -0.61 1.01 -0.71 -5.08 121.20 117.62 3kf4 s ILE 443 Ca 0.00 -0.37 -0.28 0.00 0.00 0.00 0.00 60.65 60.01 3kf4 s ILE 443 Cb 0.00 -2.72 -0.12 0.00 0.01 0.00 0.00 42.46 39.63 3kf4 s ILE 443 CO 0.00 0.40 1.27 0.47 0.00 0.00 0.00 174.94 177.08 3kf4 n ASP 444 N 4.79 2.65 -0.25 3.58 8.00 -1.26 -4.86 116.55 129.20 3kf4 n ASP 444 Ca -0.17 1.19 0.12 0.00 0.71 0.00 0.00 54.79 56.64 3kf4 n ASP 444 Cb 0.51 -1.48 0.40 0.00 -0.02 0.00 0.00 41.12 40.53 3kf4 n ASP 444 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3kf4 h LEU 445 N 2.44 0.61 -1.59 0.64 3.38 -1.98 0.11 115.31 118.92 3kf4 h LEU 445 Ca -0.46 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.54 3kf4 h LEU 445 Cb 1.29 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.95 3kf4 h LEU 445 CO 0.62 0.31 0.00 0.77 0.09 0.00 0.00 178.44 180.23 3kf4 h SER 446 N 0.65 0.00 0.53 -0.43 4.64 -2.04 -2.94 113.55 113.95 3kf4 h SER 446 Ca 0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 3kf4 h SER 446 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 3kf4 h SER 446 CO -0.18 0.00 -0.99 0.00 -0.87 0.00 0.00 176.83 174.78 3kf4 n GLN 447 N -2.81 0.32 -0.08 4.77 6.02 0.38 -4.63 117.38 121.36 3kf4 n GLN 447 Ca 0.00 0.01 -0.10 0.00 -0.01 0.00 0.00 57.00 56.90 3kf4 n GLN 447 Cb 0.21 -1.62 -0.03 0.00 1.02 0.00 0.00 30.24 29.82 3kf4 n GLN 447 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3kf4 h VAL 448 N 0.00 1.15 -0.52 5.09 2.07 -1.46 -1.50 116.25 121.08 3kf4 h VAL 448 Ca 0.00 -0.45 -0.05 0.00 0.82 0.00 0.00 66.70 67.02 3kf4 h VAL 448 Cb 0.76 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 3kf4 h VAL 448 CO 0.00 0.16 0.14 0.22 0.02 0.00 0.00 177.57 178.11 3kf4 h TYR 449 N 0.29 0.85 -0.76 1.57 3.20 -1.82 -1.09 116.97 119.21 3kf4 h TYR 449 Ca 0.09 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3kf4 h TYR 449 Cb 0.14 -0.24 -0.04 0.00 1.54 0.00 0.00 36.73 38.13 3kf4 h TYR 449 CO -0.02 0.75 0.49 0.93 -1.64 0.00 0.00 178.16 178.67 3kf4 h GLU 450 N 0.71 1.02 -0.21 1.82 5.08 -1.78 0.63 114.58 121.85 3kf4 h GLU 450 Ca 0.16 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3kf4 h GLU 450 Cb 0.31 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 3kf4 h GLU 450 CO -0.00 0.70 0.11 -0.07 -1.00 0.00 0.00 179.01 178.75 3kf4 h LEU 451 N 1.04 0.26 -0.76 1.33 3.38 -0.94 -2.40 115.31 117.22 3kf4 h LEU 451 Ca 0.28 -0.08 0.07 0.00 0.09 0.00 0.00 57.88 58.23 3kf4 h LEU 451 Cb -0.08 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.54 3kf4 h LEU 451 CO -0.06 0.27 0.44 -0.07 0.09 0.00 0.00 178.44 179.11 3kf4 h LEU 452 N 0.23 0.66 -1.64 1.67 3.38 -0.79 -1.02 115.31 117.80 3kf4 h LEU 452 Ca 0.07 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 3kf4 h LEU 452 Cb 0.07 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3kf4 h LEU 452 CO -0.01 0.41 -0.18 -0.08 0.09 0.00 0.00 178.44 178.66 3kf4 h GLU 453 N 0.79 0.00 -0.20 1.13 4.81 -0.70 -0.77 114.58 119.64 3kf4 h GLU 453 Ca 0.35 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.58 3kf4 h GLU 453 Cb 0.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.62 3kf4 h GLU 453 CO -0.20 0.18 0.00 1.63 -0.73 0.00 0.00 179.01 179.89 3kf4 n LYS 454 N -3.67 1.57 -1.15 1.92 5.02 -0.66 -4.91 118.16 116.28 3kf4 n LYS 454 Ca -0.01 -0.87 -0.05 0.00 -2.02 0.00 0.00 58.31 55.35 3kf4 n LYS 454 Cb 0.30 -1.26 -0.02 0.00 -0.02 0.00 0.00 35.03 34.03 3kf4 n LYS 454 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3kf4 n ASP 455 N 0.16 -3.91 -4.76 4.39 2.03 -0.29 -5.03 116.55 109.14 3kf4 n ASP 455 Ca 0.11 0.13 -0.41 0.00 0.52 0.00 0.00 54.79 55.15 3kf4 n ASP 455 Cb 0.23 -1.88 -0.03 0.00 -0.72 0.00 0.00 41.12 38.73 3kf4 n ASP 455 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 3kf4 s TYR 456 N -2.11 3.14 0.04 -0.67 5.04 -0.48 -4.99 117.35 117.31 3kf4 s TYR 456 Ca 0.00 1.33 -0.02 0.00 -2.44 0.00 0.00 57.07 55.94 3kf4 s TYR 456 Cb 0.00 -3.65 -0.02 0.00 0.35 0.00 0.00 41.96 38.63 3kf4 s TYR 456 CO 0.00 -1.89 0.01 1.03 -1.34 0.00 0.00 175.55 173.37 3kf4 s ARG 457 N -1.15 0.51 0.56 4.97 1.81 -1.26 -4.23 118.95 120.17 3kf4 s ARG 457 Ca 0.52 -0.88 -0.20 0.00 -1.72 0.00 0.00 55.73 53.45 3kf4 s ARG 457 Cb -0.39 0.19 -0.06 0.00 -0.45 0.00 0.00 34.95 34.24 3kf4 s ARG 457 CO 0.47 -0.10 1.10 -1.33 -0.68 0.00 0.00 175.30 174.75 3kf4 n MET 458 N 0.79 1.21 -1.77 3.54 2.81 -1.26 -4.96 117.12 117.47 3kf4 n MET 458 Ca -0.19 0.45 -0.31 0.00 -1.81 0.00 0.00 57.70 55.84 3kf4 n MET 458 Cb 0.58 -2.28 0.03 0.00 -0.71 0.00 0.00 33.22 30.84 3kf4 n MET 458 CO 0.00 0.00 0.00 -1.83 1.51 0.00 0.00 175.97 175.65 3kf4 s GLU 459 N -2.70 3.31 0.01 0.03 -1.05 -1.26 -4.98 118.70 112.06 3kf4 s GLU 459 Ca 0.73 0.88 -0.30 0.00 -0.15 0.00 0.00 54.97 56.13 3kf4 s GLU 459 Cb -0.44 -2.04 -0.07 0.00 -0.44 0.00 0.00 34.13 31.14 3kf4 s GLU 459 CO 0.49 -0.80 1.75 0.50 0.95 0.00 0.00 175.26 178.15 3kf4 s ARG 460 N -5.00 4.17 0.60 -4.83 3.52 -1.26 -4.96 118.95 111.20 3kf4 s ARG 460 Ca 0.57 2.36 -0.19 0.00 -0.13 0.00 0.00 55.73 58.35 3kf4 s ARG 460 Cb -0.13 -3.94 -0.03 0.00 -1.56 0.00 0.00 34.95 29.29 3kf4 s ARG 460 CO 0.52 -0.85 1.22 -2.14 -0.81 0.00 0.00 175.30 173.23 3kf4 s PRO 461 N 3.82 2.91 0.10 5.12 0.02 -1.26 -4.88 135.00 140.82 3kf4 s PRO 461 Ca 0.78 1.85 -0.34 0.00 0.02 0.00 0.00 61.00 63.31 3kf4 s PRO 461 Cb -0.38 -1.92 -0.13 0.00 0.02 0.00 0.00 34.50 32.09 3kf4 s PRO 461 CO 0.34 -1.26 1.67 -1.91 -0.33 0.00 0.00 177.00 175.50 3kf4 n GLU 462 N -1.66 2.20 -0.06 5.54 4.07 -1.26 -1.44 120.64 128.03 3kf4 n GLU 462 Ca 0.14 0.80 0.00 0.00 -0.06 0.00 0.00 57.16 58.04 3kf4 n GLU 462 Cb 0.49 -2.60 0.00 0.00 -0.06 0.00 0.00 31.44 29.28 3kf4 n GLU 462 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3kf4 n GLY 463 N 3.71 1.02 3.69 8.31 0.00 -1.26 -4.98 105.19 115.68 3kf4 n GLY 463 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3kf4 n GLY 463 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kf4 n PRO 465 N 5.01 1.94 -0.35 0.00 -0.02 -1.26 -4.80 135.00 135.51 3kf4 n PRO 465 Ca 0.10 0.69 0.12 0.00 -2.02 0.00 0.00 63.50 62.39 3kf4 n PRO 465 Cb 0.47 -2.39 0.31 0.00 -0.02 0.00 0.00 33.50 31.86 3kf4 n PRO 465 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3kf4 h GLU 466 N 2.08 0.76 -0.23 -0.52 4.81 -1.99 -1.15 114.58 118.34 3kf4 h GLU 466 Ca -0.48 -0.05 -0.19 0.00 -0.13 0.00 0.00 59.36 58.51 3kf4 h GLU 466 Cb 1.29 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.50 3kf4 h GLU 466 CO 0.60 0.50 -0.62 -0.22 -0.73 0.00 0.00 179.01 178.54 3kf4 h LYS 467 N 0.78 0.81 -0.36 1.92 3.11 -1.99 -0.90 116.57 119.93 3kf4 h LYS 467 Ca 0.57 -0.56 -0.01 0.00 -2.81 0.00 0.00 60.65 57.84 3kf4 h LYS 467 Cb 0.85 0.08 -0.02 0.00 -1.00 0.00 0.00 32.23 32.14 3kf4 h LYS 467 CO -0.37 1.18 0.18 0.28 -2.81 0.00 0.00 179.45 177.91 3kf4 h VAL 468 N 0.60 1.16 -0.72 2.00 2.07 -1.76 -2.12 116.25 117.48 3kf4 h VAL 468 Ca -0.01 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 67.05 3kf4 h VAL 468 Cb 1.23 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.74 3kf4 h VAL 468 CO 0.13 0.17 0.36 0.22 0.02 0.00 0.00 177.57 178.47 3kf4 h TYR 469 N 0.46 1.01 -0.91 1.57 3.20 -1.05 -0.84 116.97 120.41 3kf4 h TYR 469 Ca 0.13 -0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.99 3kf4 h TYR 469 Cb 0.10 -0.32 -0.05 0.00 1.54 0.00 0.00 36.73 38.00 3kf4 h TYR 469 CO -0.02 0.73 0.60 0.93 -1.64 0.00 0.00 178.16 178.76 3kf4 h GLU 470 N 1.02 1.11 -0.38 1.82 5.08 -0.97 -0.79 114.58 121.48 3kf4 h GLU 470 Ca 0.25 -0.07 -0.12 0.00 -1.00 0.00 0.00 59.36 58.42 3kf4 h GLU 470 Cb 0.08 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 3kf4 h GLU 470 CO -0.03 0.74 -0.27 -0.07 -1.00 0.00 0.00 179.01 178.37 3kf4 h LEU 471 N 1.15 0.81 -0.55 1.33 3.38 -0.61 -0.18 115.31 120.63 3kf4 h LEU 471 Ca 0.36 -0.31 0.05 0.00 0.09 0.00 0.00 57.88 58.07 3kf4 h LEU 471 Cb 0.00 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.48 3kf4 h LEU 471 CO -0.10 1.03 0.29 0.24 0.09 0.00 0.00 178.44 179.98 3kf4 h MET 472 N 0.67 0.53 -0.07 1.13 2.86 -0.49 -0.89 114.93 118.67 3kf4 h MET 472 Ca 0.08 -0.03 -0.14 0.00 -2.06 0.00 0.00 59.70 57.55 3kf4 h MET 472 Cb 0.79 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.32 3kf4 h MET 472 CO 0.07 0.35 -0.59 0.00 1.06 0.00 0.00 176.91 177.80 3kf4 h ARG 473 N 0.55 0.24 -0.65 1.72 2.47 -0.75 -1.75 114.38 116.20 3kf4 h ARG 473 Ca 0.25 -0.16 -0.03 0.00 -1.26 0.00 0.00 59.98 58.78 3kf4 h ARG 473 Cb 0.15 0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 28.47 3kf4 h ARG 473 CO -0.17 0.75 0.27 0.00 0.56 0.00 0.00 179.97 181.39 3kf4 h ALA 474 N 1.21 0.84 0.00 0.04 0.00 -0.75 -2.30 119.26 118.31 3kf4 h ALA 474 Ca -0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3kf4 h ALA 474 Cb 1.08 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 3kf4 h ALA 474 CO 0.09 0.45 -0.08 0.00 0.00 0.00 0.00 179.25 179.71 3kf4 n TRP 476 N -3.80 1.88 -1.73 0.00 8.01 -0.72 -3.69 117.44 117.40 3kf4 n TRP 476 Ca -0.02 -1.16 -0.42 0.00 -1.31 0.00 0.00 57.50 54.58 3kf4 n TRP 476 Cb 0.17 -0.56 -0.01 0.00 -2.01 0.00 0.00 31.31 28.90 3kf4 n TRP 476 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.69 177.72 3kf4 n GLN 477 N -0.35 2.49 -0.11 -0.99 1.13 -1.04 -4.92 117.38 113.60 3kf4 n GLN 477 Ca 0.35 0.88 -0.09 0.00 -1.94 0.00 0.00 57.00 56.19 3kf4 n GLN 477 Cb 1.21 -2.61 -0.02 0.00 0.11 0.00 0.00 30.24 28.94 3kf4 n GLN 477 CO 0.00 0.00 0.00 2.35 -1.44 0.00 0.00 177.06 177.97 3kf4 h TRP 478 N 4.12 0.48 -3.34 1.08 2.91 -1.92 -3.40 115.95 115.87 3kf4 h TRP 478 Ca -0.47 -0.03 -0.56 0.00 1.13 0.00 0.00 58.89 58.96 3kf4 h TRP 478 Cb 1.24 -0.15 -0.05 0.00 -0.51 0.00 0.00 29.16 29.70 3kf4 h TRP 478 CO 0.56 0.43 0.31 1.21 -1.03 0.00 0.00 178.44 179.92 3kf4 s ASN 479 N -5.70 7.11 0.26 2.65 2.47 -1.26 -4.83 114.94 115.64 3kf4 s ASN 479 Ca -0.13 1.35 -0.01 0.00 0.42 0.00 0.00 52.86 54.49 3kf4 s ASN 479 Cb 0.09 -2.48 0.53 0.00 -1.45 0.00 0.00 41.25 37.94 3kf4 s ASN 479 CO 0.73 -0.28 1.77 -0.65 -3.72 0.00 0.00 177.10 174.95 3kf4 h PRO 480 N 6.98 0.63 0.00 0.43 0.11 -1.96 -1.41 132.00 136.79 3kf4 h PRO 480 Ca -0.36 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3kf4 h PRO 480 Cb 1.18 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3kf4 h PRO 480 CO 0.79 0.42 0.00 0.66 -0.21 0.00 0.00 178.00 179.66 3kf4 h SER 481 N 0.65 0.00 0.96 -2.05 4.64 -1.94 -1.37 113.55 114.44 3kf4 h SER 481 Ca 0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 3kf4 h SER 481 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 3kf4 h SER 481 CO -0.35 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.08 3kf4 n ASP 482 N -2.41 0.16 -4.82 4.97 8.00 -0.53 -4.86 116.55 117.06 3kf4 n ASP 482 Ca 0.03 0.52 -0.34 0.00 0.71 0.00 0.00 54.79 55.71 3kf4 n ASP 482 Cb 0.29 -0.56 -0.07 0.00 -0.02 0.00 0.00 41.12 40.76 3kf4 n ASP 482 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3kf4 s ARG 483 N -3.03 4.23 0.77 -1.24 0.52 -0.52 -4.90 118.95 114.78 3kf4 s ARG 483 Ca 0.12 0.99 -0.12 0.00 -0.52 0.00 0.00 55.73 56.20 3kf4 s ARG 483 Cb 0.16 -2.46 0.06 0.00 0.52 0.00 0.00 34.95 33.23 3kf4 s ARG 483 CO 0.48 0.14 1.12 -1.25 0.02 0.00 0.00 175.30 175.80 3kf4 s PRO 484 N -2.76 2.15 0.72 3.54 0.04 -1.26 -5.03 135.00 132.39 3kf4 s PRO 484 Ca 0.55 1.35 -0.11 0.00 0.04 0.00 0.00 61.00 62.83 3kf4 s PRO 484 Cb -0.12 -1.87 0.02 0.00 0.04 0.00 0.00 34.50 32.57 3kf4 s PRO 484 CO 0.17 -1.75 1.07 -1.54 0.04 0.00 0.00 177.00 174.99 3kf4 s SER 485 N -2.94 5.17 0.46 6.66 1.04 -1.26 -4.91 113.70 117.92 3kf4 s SER 485 Ca 0.65 1.49 0.25 0.00 0.48 0.00 0.00 55.95 58.81 3kf4 s SER 485 Cb -0.20 -2.33 1.00 0.00 0.10 0.00 0.00 66.02 64.59 3kf4 s SER 485 CO 0.52 -1.56 1.86 -0.26 0.98 0.00 0.00 173.24 174.78 3kf4 h PHE 486 N -0.80 0.00 -0.51 5.02 -1.00 -1.94 -1.08 116.94 116.63 3kf4 h PHE 486 Ca -0.45 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.33 3kf4 h PHE 486 Cb 1.23 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.76 3kf4 h PHE 486 CO 0.57 0.20 0.30 0.00 -1.61 0.00 0.00 178.31 177.77 3kf4 h ALA 487 N 1.80 0.65 -0.14 2.45 0.00 -1.90 0.17 119.26 122.30 3kf4 h ALA 487 Ca -0.00 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 3kf4 h ALA 487 Cb 0.70 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 3kf4 h ALA 487 CO 0.03 0.14 -0.14 0.93 0.00 0.00 0.00 179.25 180.21 3kf4 h GLU 488 N 0.68 0.34 -0.29 0.00 5.08 -1.83 -2.43 114.58 116.13 3kf4 h GLU 488 Ca 0.18 -0.18 0.04 0.00 -1.00 0.00 0.00 59.36 58.41 3kf4 h GLU 488 Cb -0.00 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 3kf4 h GLU 488 CO -0.03 0.73 0.05 0.82 -1.00 0.00 0.00 179.01 179.57 3kf4 h ILE 489 N -0.04 0.85 -0.41 3.13 2.04 -1.12 -1.63 117.51 120.33 3kf4 h ILE 489 Ca 0.02 -0.05 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 3kf4 h ILE 489 Cb 0.67 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 3kf4 h ILE 489 CO 0.03 0.03 0.17 -0.74 0.00 0.00 0.00 178.15 177.64 3kf4 h HIS 490 N 0.15 0.62 -0.59 1.37 2.76 -0.64 -1.92 115.15 116.90 3kf4 h HIS 490 Ca 0.14 -0.05 0.03 0.00 -2.20 0.00 0.00 60.37 58.29 3kf4 h HIS 490 Cb 0.15 -0.19 -0.04 0.00 1.55 0.00 0.00 27.41 28.88 3kf4 h HIS 490 CO -0.18 0.54 0.36 0.37 -1.30 0.00 0.00 177.93 177.73 3kf4 h GLN 491 N 0.52 0.68 -0.59 5.26 5.75 -1.08 0.13 115.11 125.78 3kf4 h GLN 491 Ca 0.14 -0.04 0.01 0.00 -0.15 0.00 0.00 58.65 58.60 3kf4 h GLN 491 Cb 0.18 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.55 3kf4 h GLN 491 CO -0.01 0.45 0.39 0.00 -2.65 0.00 0.00 178.83 177.01 3kf4 h ALA 492 N 1.27 0.75 -0.04 3.38 0.00 -1.09 -2.08 119.26 121.45 3kf4 h ALA 492 Ca 0.24 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.95 3kf4 h ALA 492 Cb 0.04 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3kf4 h ALA 492 CO -0.11 0.18 -0.70 0.74 0.00 0.00 0.00 179.25 179.36 3kf4 h PHE 493 N 0.80 0.26 -0.55 0.00 0.04 -0.83 -2.15 116.94 114.51 3kf4 h PHE 493 Ca 0.22 -0.11 0.04 0.00 2.80 0.00 0.00 57.97 60.91 3kf4 h PHE 493 Cb -0.09 -0.04 -0.04 0.00 2.20 0.00 0.00 35.95 37.98 3kf4 h PHE 493 CO -0.03 0.83 0.31 1.49 -0.60 0.00 0.00 178.31 180.30 3kf4 h GLU 494 N 0.13 0.58 -0.30 1.51 4.57 -0.55 0.12 114.58 120.65 3kf4 h GLU 494 Ca -0.02 -0.03 -0.05 0.00 -1.18 0.00 0.00 59.36 58.07 3kf4 h GLU 494 Cb 1.25 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.69 3kf4 h GLU 494 CO 0.11 0.38 -0.02 1.15 -1.18 0.00 0.00 179.01 179.45 3kf4 h THR 495 N 0.60 1.27 -0.54 0.32 2.02 -1.25 -1.50 112.91 113.82 3kf4 h THR 495 Ca 0.24 -0.99 -0.11 0.00 0.77 0.00 0.00 66.41 66.32 3kf4 h THR 495 Cb 0.09 1.32 -0.02 0.00 -1.74 0.00 0.00 68.15 67.81 3kf4 h THR 495 CO -0.14 0.32 -0.08 0.24 0.37 0.00 0.00 175.52 176.23 3kf4 h MET 496 N 0.32 1.00 -0.02 6.66 2.86 -1.15 -2.14 114.93 122.46 3kf4 h MET 496 Ca 0.08 -0.35 0.01 0.00 -2.06 0.00 0.00 59.70 57.38 3kf4 h MET 496 Cb 0.47 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.05 3kf4 h MET 496 CO 0.02 1.03 -0.01 0.35 1.06 0.00 0.00 176.91 179.35 3kf4 h PHE 497 N 0.90 -0.03 -0.53 -0.22 -0.00 -0.68 -1.53 116.94 114.85 3kf4 h PHE 497 Ca 0.15 0.00 0.02 0.00 -0.00 0.00 0.00 57.97 58.14 3kf4 h PHE 497 Cb 0.63 0.02 -0.03 0.00 -0.00 0.00 0.00 35.95 36.57 3kf4 h PHE 497 CO 0.04 -0.02 0.33 1.96 -0.00 0.00 0.00 178.31 180.62 3kf4 h GLN 498 N -0.02 0.64 -0.07 1.11 1.08 -1.04 0.45 115.11 117.26 3kf4 h GLN 498 Ca 0.02 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.18 3kf4 h GLN 498 Cb 0.04 -0.14 -0.00 0.00 -0.05 0.00 0.00 27.48 27.32 3kf4 h GLN 498 CO -0.03 0.42 0.04 0.93 -0.95 0.00 0.00 178.83 179.24 3kf4 h GLU 499 N 0.66 0.10 -0.34 1.46 5.08 -1.29 -2.82 114.58 117.42 3kf4 h GLU 499 Ca 0.21 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.54 3kf4 h GLU 499 Cb -0.01 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 3kf4 h GLU 499 CO -0.08 0.10 0.14 1.03 -1.00 0.00 0.00 179.01 179.21 3kf4 h SER 500 N 0.06 0.43 -0.77 1.42 0.87 -0.86 -2.68 113.55 112.03 3kf4 h SER 500 Ca 0.03 -0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.53 3kf4 h SER 500 Cb 0.03 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 61.84 3kf4 h SER 500 CO -0.01 0.39 0.40 0.28 -0.53 0.00 0.00 176.83 177.36 3kf4 h SER 501 N 0.48 0.98 -0.14 6.23 0.02 -0.67 -2.03 113.55 118.42 3kf4 h SER 501 Ca 0.12 -0.12 0.05 0.00 -0.84 0.00 0.00 61.79 61.00 3kf4 h SER 501 Cb 0.09 -0.25 -0.06 0.00 0.14 0.00 0.00 62.40 62.32 3kf4 h SER 501 CO -0.01 0.82 -0.25 0.40 -1.14 0.00 0.00 176.83 176.64 3kf4 h ILE 502 N 1.07 0.40 -0.32 3.27 2.04 -1.34 0.42 117.51 123.05 3kf4 h ILE 502 Ca 0.27 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 66.06 3kf4 h ILE 502 Cb 0.08 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.54 3kf4 h ILE 502 CO -0.04 0.00 -0.10 0.28 0.00 0.00 0.00 178.15 178.29 3kf4 h SER 503 N -0.31 0.51 -0.20 1.72 0.02 -1.58 -2.49 113.55 111.22 3kf4 h SER 503 Ca 0.10 -0.13 -0.05 0.00 -0.84 0.00 0.00 61.79 60.88 3kf4 h SER 503 Cb 0.47 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 3kf4 h SER 503 CO -0.32 0.66 -0.05 -0.78 -1.14 0.00 0.00 176.83 175.19 3kf4 h ASP 504 N 0.49 0.40 -0.66 3.07 1.82 -0.54 -0.57 116.42 120.43 3kf4 h ASP 504 Ca 0.09 -0.37 0.01 0.00 -0.39 0.00 0.00 57.03 56.38 3kf4 h ASP 504 Cb 0.48 -0.11 -0.04 0.00 0.68 0.00 0.00 39.33 40.34 3kf4 h ASP 504 CO 0.03 0.67 0.43 -0.33 -1.61 0.00 0.00 179.24 178.43 3kf4 h GLU 505 N 0.12 0.84 -0.59 0.28 4.39 -0.05 -0.60 114.58 118.96 3kf4 h GLU 505 Ca 0.05 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 3kf4 h GLU 505 Cb 0.50 -0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 28.94 3kf4 h GLU 505 CO 0.02 0.55 0.20 0.28 -1.16 0.00 0.00 179.01 178.90 3kf4 h VAL 506 N 0.86 1.24 0.00 3.13 2.07 -1.37 -2.04 116.25 120.14 3kf4 h VAL 506 Ca 0.25 -0.79 -0.05 0.00 0.82 0.00 0.00 66.70 66.93 3kf4 h VAL 506 Cb -0.06 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 3kf4 h VAL 506 CO -0.07 0.30 -0.23 -0.33 0.02 0.00 0.00 177.57 177.26 3kf4 h GLU 507 N 0.83 0.00 -0.15 1.57 4.39 -0.64 0.69 114.58 121.27 3kf4 h GLU 507 Ca 0.19 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.83 3kf4 h GLU 507 Cb 0.26 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.91 3kf4 h GLU 507 CO -0.01 0.23 -0.14 -0.22 -1.16 0.00 0.00 179.01 177.71 3kf4 h LYS 508 N 0.00 0.36 -0.36 2.33 3.64 -0.81 -3.29 116.57 118.44 3kf4 h LYS 508 Ca -0.00 -0.19 -0.15 0.00 -1.27 0.00 0.00 60.65 59.04 3kf4 h LYS 508 Cb 0.45 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 3kf4 h LYS 508 CO 0.03 0.74 -0.36 0.93 -2.27 0.00 0.00 179.45 178.51 3kf4 h GLU 509 N -0.00 0.85 -6.91 1.90 4.39 -0.73 -2.75 114.58 111.34 3kf4 h GLU 509 Ca 0.03 -0.43 -0.53 0.00 0.34 0.00 0.00 59.36 58.77 3kf4 h GLU 509 Cb 0.67 0.01 0.07 0.00 -0.10 0.00 0.00 28.75 29.40 3kf4 h GLU 509 CO 0.04 1.07 0.64 -0.51 -1.16 0.00 0.00 179.01 179.09 3kf4 s LEU 510 N -8.82 4.34 0.00 1.33 1.43 0.18 -2.31 118.68 114.83 3kf4 s LEU 510 Ca -0.10 2.71 0.00 0.00 -1.03 0.00 0.00 54.13 55.71 3kf4 s LEU 510 Cb 0.12 -3.74 0.00 0.00 0.03 0.00 0.00 46.19 42.60 3kf4 s LEU 510 CO 0.87 -0.67 0.00 0.61 0.23 0.00 0.00 176.35 177.38 3kf4 n GLY 511 N 0.72 2.95 0.10 -3.19 0.00 -1.26 -4.65 105.19 99.85 3kf4 n GLY 511 Ca 0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 46.02 45.79 3kf4 n GLY 511 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3kf4 h LYS 512 N 0.00 0.00 -2.94 1.61 1.63 -1.33 -3.34 116.57 112.21 3kf4 h LYS 512 Ca 0.00 0.00 -0.75 0.00 -0.85 0.00 0.00 60.65 59.05 3kf4 h LYS 512 Cb 0.00 0.00 -0.13 0.00 -0.60 0.00 0.00 32.23 31.50 3kf4 h LYS 512 CO 0.00 0.52 2.30 2.89 -3.45 0.00 0.00 179.45 181.72 3kf4 n ARG 513 N -3.10 4.24 0.00 1.90 1.85 -0.98 -5.11 116.66 115.46 3kf4 n ARG 513 Ca -0.06 -3.47 0.14 0.00 -1.00 0.00 0.00 57.85 53.46 3kf4 n ARG 513 Cb 0.87 -2.74 0.56 0.00 -1.05 0.00 0.00 32.46 30.11 3kf4 n ARG 513 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03