#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kh6 s PHE 269 N 0.00 -0.52 -0.09 2.98 5.99 -1.26 -5.18 117.98 119.90 3kh6 s PHE 269 Ca 0.00 0.52 -0.02 0.00 0.00 0.00 0.00 56.93 57.43 3kh6 s PHE 269 Cb 0.00 0.46 0.03 0.00 0.00 0.00 0.00 43.02 43.51 3kh6 s PHE 269 CO 0.00 -0.74 0.01 -0.65 -0.00 0.00 0.00 175.22 173.84 3kh6 s GLN 270 N -2.87 0.57 -0.08 10.12 -0.21 -1.26 -5.15 119.66 120.78 3kh6 s GLN 270 Ca -0.03 0.02 -0.31 0.00 0.02 0.00 0.00 55.36 55.07 3kh6 s GLN 270 Cb -0.01 -1.18 0.08 0.00 1.00 0.00 0.00 33.01 32.91 3kh6 s GLN 270 CO -0.05 -0.37 0.74 -1.54 -2.12 0.00 0.00 175.29 171.95 3kh6 s SER 271 N 1.97 -0.60 0.36 5.90 1.04 -1.26 -5.15 113.70 115.95 3kh6 s SER 271 Ca 0.04 0.67 -0.28 0.00 0.48 0.00 0.00 55.95 56.86 3kh6 s SER 271 Cb -0.13 0.51 -0.12 0.00 0.10 0.00 0.00 66.02 66.39 3kh6 s SER 271 CO -0.06 -0.55 1.42 0.23 0.98 0.00 0.00 173.24 175.26 3kh6 n MET 272 N 0.92 2.45 0.00 4.02 2.81 -1.26 -4.94 117.12 121.12 3kh6 n MET 272 Ca -0.17 0.86 0.00 0.00 -1.81 0.00 0.00 57.70 56.58 3kh6 n MET 272 Cb 0.57 -2.53 0.00 0.00 -0.71 0.00 0.00 33.22 30.55 3kh6 n MET 272 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 3kh6 n THR 273 N 0.53 0.00 -3.71 2.03 -2.24 -1.26 -4.96 114.28 104.68 3kh6 n THR 273 Ca 0.03 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.67 3kh6 n THR 273 Cb 0.37 -0.03 -0.09 0.00 -2.10 0.00 0.00 70.33 68.49 3kh6 n THR 273 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kh6 s ALA 274 N -1.52 -1.07 0.01 6.98 0.00 -1.26 -1.34 121.76 123.57 3kh6 s ALA 274 Ca 0.00 0.83 0.04 0.00 0.00 0.00 0.00 51.96 52.83 3kh6 s ALA 274 Cb 0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 23.12 22.88 3kh6 s ALA 274 CO 0.00 -0.26 -0.13 0.71 0.00 0.00 0.00 175.76 176.08 3kh6 s TYR 275 N -0.74 1.11 0.01 0.00 2.02 0.29 -5.00 117.35 115.04 3kh6 s TYR 275 Ca -0.08 -0.28 0.02 0.00 -0.37 0.00 0.00 57.07 56.36 3kh6 s TYR 275 Cb -0.04 -0.69 -0.01 0.00 -0.40 0.00 0.00 41.96 40.83 3kh6 s TYR 275 CO 0.04 0.00 -0.06 -2.00 -1.57 0.00 0.00 175.55 171.96 3kh6 s GLU 276 N -0.71 0.43 0.06 -0.62 2.12 -1.26 -1.09 118.70 117.64 3kh6 s GLU 276 Ca 0.03 -0.35 -0.01 0.00 0.36 0.00 0.00 54.97 54.99 3kh6 s GLU 276 Cb -0.06 -0.35 -0.04 0.00 0.26 0.00 0.00 34.13 33.94 3kh6 s GLU 276 CO 0.00 0.09 -0.01 0.00 -0.54 0.00 0.00 175.26 174.80 3kh6 s MET 277 N -0.56 0.66 -0.17 4.30 0.23 -0.41 -5.02 119.30 118.33 3kh6 s MET 277 Ca -0.02 -1.23 -0.05 0.00 -1.03 0.00 0.00 55.69 53.36 3kh6 s MET 277 Cb -0.04 0.22 -0.03 0.00 -1.53 0.00 0.00 34.83 33.45 3kh6 s MET 277 CO -0.00 -0.14 -0.00 0.21 -2.03 0.00 0.00 175.02 173.06 3kh6 s LYS 278 N -3.93 3.77 -0.30 3.16 2.20 -1.26 -0.69 119.74 122.70 3kh6 s LYS 278 Ca 0.09 -0.46 0.01 0.00 -0.36 0.00 0.00 55.97 55.25 3kh6 s LYS 278 Cb 0.08 -3.03 0.09 0.00 -1.51 0.00 0.00 37.83 33.46 3kh6 s LYS 278 CO -0.09 0.23 0.03 0.42 -0.36 0.00 0.00 175.35 175.59 3kh6 s ILE 279 N 0.42 1.55 0.00 5.43 1.01 0.73 -5.00 121.20 125.34 3kh6 s ILE 279 Ca -0.01 -1.66 0.00 0.00 0.00 0.00 0.00 60.65 58.98 3kh6 s ILE 279 Cb -0.14 -2.05 0.00 0.00 0.01 0.00 0.00 42.46 40.29 3kh6 s ILE 279 CO 0.02 -0.47 0.00 0.61 0.00 0.00 0.00 174.94 175.10 3kh6 n GLY 280 N 4.59 3.45 0.00 6.18 0.00 -1.26 -1.52 105.19 116.64 3kh6 n GLY 280 Ca -0.03 -0.02 0.15 0.00 0.00 0.00 0.00 46.02 46.12 3kh6 n GLY 280 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kh6 n ALA 281 N 11.06 2.45 -2.74 4.61 0.00 -1.26 -4.86 120.51 129.77 3kh6 n ALA 281 Ca 0.00 -0.13 -0.36 0.00 0.00 0.00 0.00 53.44 52.95 3kh6 n ALA 281 Cb 0.00 -1.49 -0.07 0.00 0.00 0.00 0.00 19.45 17.89 3kh6 n ALA 281 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3kh6 s ILE 282 N -2.66 5.39 -0.26 0.00 -1.09 -0.57 -4.83 121.20 117.17 3kh6 s ILE 282 Ca 0.25 0.31 -0.20 0.00 -2.23 0.00 0.00 60.65 58.78 3kh6 s ILE 282 Cb 0.20 -3.51 -0.02 0.00 -1.58 0.00 0.00 42.46 37.55 3kh6 s ILE 282 CO 0.48 0.46 0.60 -0.89 -1.23 0.00 0.00 174.94 174.35 3kh6 s THR 283 N 0.15 5.00 -0.29 2.92 2.01 0.31 -0.20 115.64 125.55 3kh6 s THR 283 Ca 0.12 1.06 -0.05 0.00 0.31 0.00 0.00 61.69 63.12 3kh6 s THR 283 Cb -0.12 -3.91 0.02 0.00 0.01 0.00 0.00 72.50 68.50 3kh6 s THR 283 CO 0.01 0.03 0.05 0.12 -0.69 0.00 0.00 174.62 174.14 3kh6 s PHE 284 N 2.46 3.14 -0.00 4.92 5.36 0.14 -0.90 117.98 133.11 3kh6 s PHE 284 Ca 0.25 -1.17 0.05 0.00 -0.96 0.00 0.00 56.93 55.10 3kh6 s PHE 284 Cb -0.15 -2.20 -0.03 0.00 -0.34 0.00 0.00 43.02 40.29 3kh6 s PHE 284 CO 0.09 -0.63 -0.16 -1.14 -1.46 0.00 0.00 175.22 171.92 3kh6 s GLN 285 N 1.44 2.29 -0.15 10.12 0.74 0.68 -1.29 119.66 133.49 3kh6 s GLN 285 Ca 0.01 -0.84 0.01 0.00 0.05 0.00 0.00 55.36 54.59 3kh6 s GLN 285 Cb -0.17 -2.29 0.02 0.00 1.10 0.00 0.00 33.01 31.67 3kh6 s GLN 285 CO 0.01 0.58 -0.15 0.08 -0.55 0.00 0.00 175.29 175.25 3kh6 s VAL 286 N -0.85 1.65 0.00 1.34 1.01 -0.25 -0.31 120.40 122.99 3kh6 s VAL 286 Ca 0.14 -0.69 -0.07 0.00 0.00 0.00 0.00 61.98 61.36 3kh6 s VAL 286 Cb -0.11 -1.53 0.00 0.00 0.00 0.00 0.00 36.38 34.75 3kh6 s VAL 286 CO 0.03 0.47 0.13 0.00 0.00 0.00 0.00 175.10 175.73 3kh6 s ALA 287 N 1.36 -0.29 0.32 5.51 0.00 -0.70 -0.55 121.76 127.41 3kh6 s ALA 287 Ca 0.03 -0.14 -0.28 0.00 0.00 0.00 0.00 51.96 51.56 3kh6 s ALA 287 Cb -0.13 0.10 -0.10 0.00 0.00 0.00 0.00 23.12 22.99 3kh6 s ALA 287 CO -0.09 -0.20 1.20 0.95 0.00 0.00 0.00 175.76 177.62 3kh6 s THR 288 N -1.32 3.08 -1.89 0.00 -4.23 -0.45 -0.06 115.64 110.77 3kh6 s THR 288 Ca -0.14 1.06 0.00 0.00 -1.18 0.00 0.00 61.69 61.43 3kh6 s THR 288 Cb -0.07 -3.66 0.00 0.00 1.34 0.00 0.00 72.50 70.11 3kh6 s THR 288 CO 0.01 0.23 0.00 0.61 -0.54 0.00 0.00 174.62 174.93 3kh6 n GLY 289 N 0.92 -1.71 3.15 3.99 0.00 0.61 -4.74 105.19 107.40 3kh6 n GLY 289 Ca 0.00 -1.10 -0.34 0.00 0.00 0.00 0.00 46.02 44.58 3kh6 n GLY 289 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kh6 s ASP 290 N -0.70 4.64 0.60 1.61 3.68 -1.26 -3.90 116.67 121.34 3kh6 s ASP 290 Ca 0.00 -1.22 0.30 0.00 2.13 0.00 0.00 52.55 53.75 3kh6 s ASP 290 Cb 0.00 -1.66 1.70 0.00 -1.45 0.00 0.00 42.92 41.51 3kh6 s ASP 290 CO 0.00 -0.21 2.10 -0.29 0.13 0.00 0.00 175.17 176.90 3kh6 h ILE 291 N 6.48 0.41 0.00 4.11 2.10 -1.96 -1.89 117.51 126.77 3kh6 h ILE 291 Ca -0.23 0.00 -0.00 0.00 1.08 0.00 0.00 64.86 65.71 3kh6 h ILE 291 Cb 1.07 0.83 -0.00 0.00 -1.09 0.00 0.00 36.82 37.63 3kh6 h ILE 291 CO 0.52 0.00 -0.01 0.00 -1.08 0.00 0.00 178.15 177.58 3kh6 h ALA 292 N 1.75 1.29 -0.03 0.18 0.00 -1.95 -1.45 119.26 119.05 3kh6 h ALA 292 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3kh6 h ALA 292 Cb 0.48 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3kh6 h ALA 292 CO -0.00 0.01 0.00 0.25 0.00 0.00 0.00 179.25 179.51 3kh6 n THR 293 N -3.52 0.03 -2.51 0.00 -2.24 -0.71 -4.75 114.28 100.60 3kh6 n THR 293 Ca -0.03 -0.15 -0.38 0.00 -2.27 0.00 0.00 64.05 61.22 3kh6 n THR 293 Cb 0.10 0.05 -0.04 0.00 -2.10 0.00 0.00 70.33 68.34 3kh6 n THR 293 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3kh6 s GLU 294 N -1.97 4.36 -0.58 -0.78 0.41 -0.55 -4.97 118.70 114.64 3kh6 s GLU 294 Ca 0.39 1.65 0.04 0.00 -0.41 0.00 0.00 54.97 56.64 3kh6 s GLU 294 Cb 0.20 -2.82 0.15 0.00 -1.78 0.00 0.00 34.13 29.87 3kh6 s GLU 294 CO 0.32 0.00 0.35 -1.14 -0.49 0.00 0.00 175.26 174.30 3kh6 s GLN 295 N -2.04 2.04 0.28 1.61 0.74 -1.26 -4.12 119.66 116.92 3kh6 s GLN 295 Ca 0.52 -2.81 -0.05 0.00 0.05 0.00 0.00 55.36 53.07 3kh6 s GLN 295 Cb -0.27 -3.17 -0.01 0.00 1.10 0.00 0.00 33.01 30.66 3kh6 s GLN 295 CO 0.34 -1.19 0.39 0.14 -0.55 0.00 0.00 175.29 174.41 3kh6 s VAL 296 N -0.65 0.00 0.06 1.34 -7.23 -1.11 -5.03 120.40 107.78 3kh6 s VAL 296 Ca 0.21 -1.65 -0.19 0.00 -1.81 0.00 0.00 61.98 58.54 3kh6 s VAL 296 Cb -0.16 -2.46 -0.12 0.00 0.56 0.00 0.00 36.38 34.19 3kh6 s VAL 296 CO -0.07 0.00 1.37 0.44 -0.31 0.00 0.00 175.10 176.53 3kh6 h ASP 297 N 2.27 0.50 -3.43 4.85 3.32 -1.81 -3.35 116.42 118.76 3kh6 h ASP 297 Ca -0.29 -0.47 -0.42 0.00 0.02 0.00 0.00 57.03 55.87 3kh6 h ASP 297 Cb 1.24 -0.14 -0.34 0.00 0.22 0.00 0.00 39.33 40.31 3kh6 h ASP 297 CO 0.41 0.87 -0.77 -0.69 -1.72 0.00 0.00 179.24 177.33 3kh6 s VAL 298 N -4.34 0.55 -0.06 -1.35 1.01 -0.82 -0.94 120.40 114.44 3kh6 s VAL 298 Ca -0.14 -0.11 0.02 0.00 0.00 0.00 0.00 61.98 61.75 3kh6 s VAL 298 Cb 0.06 -0.58 -0.03 0.00 0.00 0.00 0.00 36.38 35.83 3kh6 s VAL 298 CO 0.78 0.23 -0.10 -0.63 0.00 0.00 0.00 175.10 175.38 3kh6 s ILE 299 N 1.02 3.42 -0.14 2.22 1.01 -1.03 -1.22 121.20 126.48 3kh6 s ILE 299 Ca -0.09 -0.60 -0.06 0.00 0.00 0.00 0.00 60.65 59.90 3kh6 s ILE 299 Cb -0.14 -2.38 -0.04 0.00 0.01 0.00 0.00 42.46 39.91 3kh6 s ILE 299 CO -0.00 0.58 0.06 -0.69 0.00 0.00 0.00 174.94 174.89 3kh6 s VAL 300 N -0.79 4.81 -0.17 2.92 1.01 -0.11 -1.59 120.40 126.49 3kh6 s VAL 300 Ca 0.12 -0.04 -0.05 0.00 0.00 0.00 0.00 61.98 62.01 3kh6 s VAL 300 Cb -0.11 -3.11 -0.03 0.00 0.00 0.00 0.00 36.38 33.14 3kh6 s VAL 300 CO 0.01 0.55 -0.01 0.21 0.00 0.00 0.00 175.10 175.86 3kh6 s ASN 301 N -0.37 4.93 -0.26 3.32 2.47 -0.09 -4.27 114.94 120.68 3kh6 s ASN 301 Ca 0.09 -0.12 -0.09 0.00 0.42 0.00 0.00 52.86 53.16 3kh6 s ASN 301 Cb -0.12 -1.82 -0.04 0.00 -1.45 0.00 0.00 41.25 37.82 3kh6 s ASN 301 CO 0.02 0.14 0.13 -0.55 -3.72 0.00 0.00 177.10 173.11 3kh6 s SER 302 N 0.57 5.60 0.06 -4.21 0.15 -1.26 -0.63 113.70 113.98 3kh6 s SER 302 Ca -0.01 -0.09 0.01 0.00 0.70 0.00 0.00 55.95 56.55 3kh6 s SER 302 Cb -0.14 -2.02 -0.00 0.00 -1.71 0.00 0.00 66.02 62.15 3kh6 s SER 302 CO 0.02 -0.03 0.07 1.07 1.20 0.00 0.00 173.24 175.57 3kh6 n THR 303 N 4.90 0.00 -1.86 6.45 5.66 0.19 -4.20 114.28 125.41 3kh6 n THR 303 Ca -0.15 -0.39 -0.32 0.00 -3.05 0.00 0.00 64.05 60.14 3kh6 n THR 303 Cb 0.52 0.21 0.02 0.00 -1.55 0.00 0.00 70.33 69.53 3kh6 n THR 303 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3kh6 s ALA 304 N -2.05 2.78 0.32 1.79 0.00 -1.26 -1.51 121.76 121.83 3kh6 s ALA 304 Ca 0.06 0.20 0.10 0.00 0.00 0.00 0.00 51.96 52.33 3kh6 s ALA 304 Cb 0.00 -3.18 0.95 0.00 0.00 0.00 0.00 23.12 20.89 3kh6 s ALA 304 CO 0.05 -0.92 1.68 0.00 0.00 0.00 0.00 175.76 176.57 3kh6 h ARG 305 N -0.07 0.37 -0.00 0.00 2.47 -1.94 0.15 114.38 115.37 3kh6 h ARG 305 Ca -0.45 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.24 3kh6 h ARG 305 Cb 1.21 -0.08 0.00 0.00 -1.65 0.00 0.00 29.97 29.45 3kh6 h ARG 305 CO 0.58 0.25 -0.01 0.25 0.56 0.00 0.00 179.97 181.59 3kh6 n THR 306 N -5.03 0.00 -2.01 2.04 -2.24 -1.26 -4.93 114.28 100.85 3kh6 n THR 306 Ca 0.28 -0.01 -0.20 0.00 -2.27 0.00 0.00 64.05 61.84 3kh6 n THR 306 Cb 0.85 -0.42 -0.05 0.00 -2.10 0.00 0.00 70.33 68.61 3kh6 n THR 306 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3kh6 n PHE 307 N -1.09 -0.51 -2.12 4.78 3.72 0.04 -4.90 117.46 117.38 3kh6 n PHE 307 Ca 0.18 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.29 3kh6 n PHE 307 Cb 0.20 -3.67 0.02 0.00 -0.94 0.00 0.00 39.48 35.09 3kh6 n PHE 307 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 3kh6 n ASN 308 N -1.61 5.56 -4.21 4.37 6.94 -1.26 -4.87 115.26 120.19 3kh6 n ASN 308 Ca -0.22 -3.76 -0.27 0.00 -0.02 0.00 0.00 54.58 50.31 3kh6 n ASN 308 Cb 0.68 -0.58 -0.16 0.00 -2.36 0.00 0.00 39.78 37.36 3kh6 n ASN 308 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 3kh6 s ARG 309 N -3.68 1.76 -0.43 -3.83 3.52 -1.26 -4.97 118.95 110.07 3kh6 s ARG 309 Ca 0.52 -0.72 0.06 0.00 -0.13 0.00 0.00 55.73 55.45 3kh6 s ARG 309 Cb 0.42 -1.65 0.21 0.00 -1.56 0.00 0.00 34.95 32.38 3kh6 s ARG 309 CO -0.13 0.40 0.45 1.17 -0.81 0.00 0.00 175.30 176.38 3kh6 n LYS 310 N 2.72 0.64 -3.60 5.12 4.81 -1.26 -4.65 118.16 121.94 3kh6 n LYS 310 Ca -0.16 -3.35 -0.13 0.00 -0.87 0.00 0.00 58.31 53.80 3kh6 n LYS 310 Cb 0.53 -1.53 -0.07 0.00 0.02 0.00 0.00 35.03 33.98 3kh6 n LYS 310 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 3kh6 s SER 311 N -0.73 -0.62 1.13 3.14 0.15 -1.26 -4.40 113.70 111.11 3kh6 s SER 311 Ca 0.34 1.05 0.00 0.00 0.70 0.00 0.00 55.95 58.04 3kh6 s SER 311 Cb 0.10 1.01 0.00 0.00 -1.71 0.00 0.00 66.02 65.42 3kh6 s SER 311 CO -0.15 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 174.58 3kh6 n GLY 312 N 1.98 2.64 0.26 9.45 0.00 -1.26 -3.10 105.19 115.15 3kh6 n GLY 312 Ca -0.14 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.49 3kh6 n GLY 312 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3kh6 h VAL 313 N 0.00 1.20 -0.72 1.61 3.04 -1.99 -2.14 116.25 117.25 3kh6 h VAL 313 Ca 0.00 -0.84 0.03 0.00 -1.01 0.00 0.00 66.70 64.87 3kh6 h VAL 313 Cb 0.00 1.09 -0.04 0.00 -2.01 0.00 0.00 31.29 30.33 3kh6 h VAL 313 CO 0.00 0.28 0.46 0.77 -1.01 0.00 0.00 177.57 178.06 3kh6 h SER 314 N 0.39 0.77 -0.07 3.17 4.64 -1.71 -0.93 113.55 119.81 3kh6 h SER 314 Ca 0.08 -0.01 0.04 0.00 -0.47 0.00 0.00 61.79 61.43 3kh6 h SER 314 Cb 0.39 -0.17 -0.05 0.00 -0.31 0.00 0.00 62.40 62.25 3kh6 h SER 314 CO 0.02 0.54 -0.24 -0.09 -0.87 0.00 0.00 176.83 176.19 3kh6 h ARG 315 N 0.91 -0.32 -0.60 4.77 2.43 -1.47 0.17 114.38 120.26 3kh6 h ARG 315 Ca 0.28 0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.52 3kh6 h ARG 315 Cb -0.01 0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.57 3kh6 h ARG 315 CO -0.10 -0.21 0.35 0.00 -1.51 0.00 0.00 179.97 178.50 3kh6 h ALA 316 N 0.57 0.79 -0.08 2.80 0.00 -1.27 -1.12 119.26 120.95 3kh6 h ALA 316 Ca 0.08 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3kh6 h ALA 316 Cb 0.45 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 3kh6 h ALA 316 CO -0.26 0.05 -0.12 0.82 0.00 0.00 0.00 179.25 179.74 3kh6 h ILE 317 N 0.67 1.39 -0.32 0.00 2.04 -0.90 -2.64 117.51 117.76 3kh6 h ILE 317 Ca 0.26 -1.37 -0.14 0.00 1.00 0.00 0.00 64.86 64.61 3kh6 h ILE 317 Cb 0.09 2.11 -0.01 0.00 -0.74 0.00 0.00 36.82 38.27 3kh6 h ILE 317 CO -0.13 0.38 -0.36 -0.07 0.00 0.00 0.00 178.15 177.97 3kh6 h LEU 318 N -0.23 0.77 -0.29 1.44 3.38 -0.53 0.34 115.31 120.20 3kh6 h LEU 318 Ca 0.01 -0.33 -0.05 0.00 0.09 0.00 0.00 57.88 57.59 3kh6 h LEU 318 Cb 0.68 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 3kh6 h LEU 318 CO 0.03 1.05 -0.03 -0.33 0.09 0.00 0.00 178.44 179.25 3kh6 h GLU 319 N 0.61 0.53 0.00 1.13 5.08 -1.30 -1.95 114.58 118.67 3kh6 h GLU 319 Ca 0.06 -0.19 -0.08 0.00 -1.00 0.00 0.00 59.36 58.15 3kh6 h GLU 319 Cb 0.89 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 3kh6 h GLU 319 CO 0.08 0.71 -0.39 0.78 -1.00 0.00 0.00 179.01 179.18 3kh6 h GLY 320 N 0.30 0.00 1.41 -3.84 0.00 -1.38 -3.24 103.07 96.32 3kh6 h GLY 320 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.13 3kh6 h GLY 320 CO 0.02 0.00 -1.17 0.00 0.00 0.00 0.00 176.54 175.39 3kh6 h ALA 321 N 1.61 0.11 0.00 3.60 0.00 -0.79 -3.25 119.26 120.54 3kh6 h ALA 321 Ca -0.00 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.12 3kh6 h ALA 321 Cb 0.71 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3kh6 h ALA 321 CO 0.05 0.78 0.00 0.41 0.00 0.00 0.00 179.25 180.50 3kh6 n GLY 322 N 1.30 1.28 0.26 0.00 0.00 -0.75 -0.49 105.19 106.79 3kh6 n GLY 322 Ca -0.11 -2.12 -0.09 0.00 0.00 0.00 0.00 46.02 43.71 3kh6 n GLY 322 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3kh6 h GLN 323 N 0.00 0.77 -0.38 1.61 1.08 -1.91 -2.96 115.11 113.32 3kh6 h GLN 323 Ca 0.00 -0.34 0.08 0.00 -1.45 0.00 0.00 58.65 56.94 3kh6 h GLN 323 Cb 0.00 -0.02 -0.08 0.00 -0.05 0.00 0.00 27.48 27.33 3kh6 h GLN 323 CO 0.00 0.96 -0.13 0.00 -0.95 0.00 0.00 178.83 178.71 3kh6 h ALA 324 N 1.03 0.21 -0.47 3.87 0.00 -1.97 0.18 119.26 122.10 3kh6 h ALA 324 Ca 0.08 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3kh6 h ALA 324 Cb 0.80 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 3kh6 h ALA 324 CO 0.07 -0.49 0.25 0.28 0.00 0.00 0.00 179.25 179.36 3kh6 h VAL 325 N -0.04 1.17 -0.95 0.00 2.07 -1.81 0.49 116.25 117.18 3kh6 h VAL 325 Ca 0.19 -0.45 0.05 0.00 0.82 0.00 0.00 66.70 67.31 3kh6 h VAL 325 Cb 0.33 0.60 -0.06 0.00 -1.52 0.00 0.00 31.29 30.64 3kh6 h VAL 325 CO -0.42 0.18 0.61 -0.08 0.02 0.00 0.00 177.57 177.88 3kh6 h GLU 326 N 0.62 1.11 -0.10 1.57 4.81 -1.27 -0.63 114.58 120.69 3kh6 h GLU 326 Ca 0.17 -0.07 -0.20 0.00 -0.13 0.00 0.00 59.36 59.13 3kh6 h GLU 326 Cb 0.07 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.20 3kh6 h GLU 326 CO -0.03 0.74 -0.75 0.77 -0.73 0.00 0.00 179.01 179.01 3kh6 h SER 327 N 1.14 0.65 -0.87 1.04 0.02 -0.31 -2.94 113.55 112.28 3kh6 h SER 327 Ca 0.39 -0.43 0.07 0.00 -0.84 0.00 0.00 61.79 60.98 3kh6 h SER 327 Cb 0.08 -0.19 -0.06 0.00 0.14 0.00 0.00 62.40 62.37 3kh6 h SER 327 CO -0.15 1.19 0.54 -0.33 -1.14 0.00 0.00 176.83 176.94 3kh6 h GLU 328 N 0.37 0.93 -0.50 3.45 5.08 -0.44 -2.49 114.58 120.98 3kh6 h GLU 328 Ca -0.04 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3kh6 h GLU 328 Cb 1.34 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 30.36 3kh6 h GLU 328 CO 0.14 0.62 0.31 0.00 -1.00 0.00 0.00 179.01 179.08 3kh6 h ALA 330 N 1.16 1.10 0.89 0.00 0.00 -1.29 0.49 119.26 121.61 3kh6 h ALA 330 Ca 0.18 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3kh6 h ALA 330 Cb -0.03 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 17.49 3kh6 h ALA 330 CO -0.04 0.63 -0.43 0.28 0.00 0.00 0.00 179.25 179.69 3kh6 h VAL 331 N 1.03 0.00 -0.69 0.00 2.07 -1.29 -2.82 116.25 114.55 3kh6 h VAL 331 Ca 0.23 -0.02 0.07 0.00 0.82 0.00 0.00 66.70 67.80 3kh6 h VAL 331 Cb 0.26 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.99 3kh6 h VAL 331 CO -0.01 0.00 0.45 -0.07 0.02 0.00 0.00 177.57 177.96 3kh6 h LEU 332 N -1.22 0.59 -1.10 2.57 3.38 -1.13 -1.42 115.31 116.99 3kh6 h LEU 332 Ca -0.12 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.78 3kh6 h LEU 332 Cb 0.92 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 3kh6 h LEU 332 CO 0.20 0.37 -0.14 0.00 0.09 0.00 0.00 178.44 178.96 3kh6 h ALA 333 N 1.63 1.25 -0.46 1.53 0.00 -0.89 -2.81 119.26 119.50 3kh6 h ALA 333 Ca 0.30 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3kh6 h ALA 333 Cb 0.33 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3kh6 h ALA 333 CO -0.10 0.49 0.00 0.00 0.00 0.00 0.00 179.25 179.64 3kh6 n ALA 334 N -2.48 2.63 -2.40 0.00 0.00 -0.54 -4.86 120.51 112.85 3kh6 n ALA 334 Ca 0.00 -0.93 -0.20 0.00 0.00 0.00 0.00 53.44 52.31 3kh6 n ALA 334 Cb 0.33 -0.99 -0.10 0.00 0.00 0.00 0.00 19.45 18.69 3kh6 n ALA 334 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 3kh6 s GLN 335 N -1.52 1.52 0.51 0.00 -2.07 -1.06 -5.08 119.66 111.96 3kh6 s GLN 335 Ca 0.33 -1.81 -0.23 0.00 -1.82 0.00 0.00 55.36 51.83 3kh6 s GLN 335 Cb 0.19 -0.77 -0.06 0.00 -1.09 0.00 0.00 33.01 31.28 3kh6 s GLN 335 CO 0.20 -0.14 1.35 -2.14 -1.32 0.00 0.00 175.29 173.24 3kh6 s PRO 336 N -3.87 3.36 0.11 9.60 0.02 -1.26 -4.94 135.00 138.01 3kh6 s PRO 336 Ca 0.33 2.23 -0.13 0.00 0.02 0.00 0.00 61.00 63.45 3kh6 s PRO 336 Cb 0.07 -2.38 0.02 0.00 0.02 0.00 0.00 34.50 32.23 3kh6 s PRO 336 CO 0.13 -1.01 0.32 -3.38 -0.33 0.00 0.00 177.00 172.72 3kh6 s HIS 337 N -1.30 -0.07 1.01 6.54 -3.43 -1.26 -5.02 115.29 111.76 3kh6 s HIS 337 Ca 0.68 -0.28 -0.17 0.00 -0.80 0.00 0.00 55.06 54.48 3kh6 s HIS 337 Cb -0.40 0.13 0.26 0.00 -1.43 0.00 0.00 32.58 31.14 3kh6 s HIS 337 CO 0.48 -0.63 0.67 0.54 -2.00 0.00 0.00 174.74 173.80 3kh6 n ARG 338 N -0.12 -3.66 0.04 -0.38 5.12 -1.26 -4.90 116.66 111.49 3kh6 n ARG 338 Ca -0.16 -1.11 0.11 0.00 -1.93 0.00 0.00 57.85 54.76 3kh6 n ARG 338 Cb 0.63 -1.31 0.56 0.00 -1.16 0.00 0.00 32.46 31.17 3kh6 n ARG 338 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 3kh6 h ASP 339 N -2.92 0.23 -2.08 0.55 3.45 -2.01 -3.43 116.42 110.21 3kh6 h ASP 339 Ca -0.29 0.00 -0.54 0.00 0.43 0.00 0.00 57.03 56.64 3kh6 h ASP 339 Cb 0.94 -0.05 -0.08 0.00 -0.56 0.00 0.00 39.33 39.59 3kh6 h ASP 339 CO 0.18 0.15 -0.57 0.72 -1.57 0.00 0.00 179.24 178.14 3kh6 s PHE 340 N -5.26 2.80 0.23 4.55 -0.71 -1.26 -4.49 117.98 113.85 3kh6 s PHE 340 Ca -0.07 -0.25 0.11 0.00 -1.04 0.00 0.00 56.93 55.68 3kh6 s PHE 340 Cb 0.19 -1.41 -0.05 0.00 -1.21 0.00 0.00 43.02 40.54 3kh6 s PHE 340 CO 0.72 0.49 -0.19 0.96 -1.34 0.00 0.00 175.22 175.86 3kh6 s ILE 341 N -2.31 2.22 -0.05 -4.49 -4.36 -0.83 -4.98 121.20 106.39 3kh6 s ILE 341 Ca 0.34 -2.24 0.04 0.00 -0.26 0.00 0.00 60.65 58.53 3kh6 s ILE 341 Cb -0.05 -2.16 -0.00 0.00 1.25 0.00 0.00 42.46 41.50 3kh6 s ILE 341 CO 0.22 -0.38 -0.18 -0.63 0.24 0.00 0.00 174.94 174.21 3kh6 s ILE 342 N -2.40 1.50 0.24 8.37 1.01 -1.26 -0.69 121.20 127.97 3kh6 s ILE 342 Ca 0.25 -0.74 0.05 0.00 0.00 0.00 0.00 60.65 60.21 3kh6 s ILE 342 Cb -0.05 -1.30 -0.05 0.00 0.01 0.00 0.00 42.46 41.07 3kh6 s ILE 342 CO 0.11 0.43 -0.02 0.42 0.00 0.00 0.00 174.94 175.88 3kh6 s THR 343 N 0.15 1.23 1.25 2.92 -4.23 -0.48 -4.98 115.64 111.49 3kh6 s THR 343 Ca -0.07 -2.06 -0.19 0.00 -1.18 0.00 0.00 61.69 58.19 3kh6 s THR 343 Cb -0.13 -2.36 0.30 0.00 1.34 0.00 0.00 72.50 71.65 3kh6 s THR 343 CO 0.03 -0.33 1.05 -2.16 -0.54 0.00 0.00 174.62 172.67 3kh6 s PRO 344 N -3.82 -1.58 0.34 3.99 0.04 -1.26 -0.73 135.00 131.98 3kh6 s PRO 344 Ca 0.28 0.09 0.23 0.00 0.04 0.00 0.00 61.00 61.64 3kh6 s PRO 344 Cb 0.05 -1.54 0.35 0.00 0.04 0.00 0.00 34.50 33.40 3kh6 s PRO 344 CO 0.09 -3.98 1.51 0.78 0.04 0.00 0.00 177.00 175.44 3kh6 h GLY 345 N -2.78 0.00 0.00 0.56 0.00 -1.62 -3.35 103.07 95.89 3kh6 h GLY 345 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 3kh6 h GLY 345 CO 0.35 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.50 3kh6 n GLY 346 N 1.16 2.77 0.00 4.60 0.00 -1.26 -2.01 105.19 110.45 3kh6 n GLY 346 Ca 0.03 -0.27 0.15 0.00 0.00 0.00 0.00 46.02 45.93 3kh6 n GLY 346 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kh6 s LEU 348 N -2.38 3.91 -1.61 0.00 1.43 -0.85 -4.89 118.68 114.29 3kh6 s LEU 348 Ca 0.34 2.19 -0.10 0.00 -1.03 0.00 0.00 54.13 55.54 3kh6 s LEU 348 Cb 0.20 -4.39 -0.08 0.00 0.03 0.00 0.00 46.19 41.96 3kh6 s LEU 348 CO 0.42 -0.96 2.94 0.29 0.23 0.00 0.00 176.35 179.26 3kh6 n LYS 349 N -0.78 3.76 -3.87 1.70 5.02 -1.26 -4.80 118.16 117.92 3kh6 n LYS 349 Ca 0.09 -2.27 -0.10 0.00 -2.02 0.00 0.00 58.31 54.01 3kh6 n LYS 349 Cb 0.50 -2.79 -0.06 0.00 -0.02 0.00 0.00 35.03 32.66 3kh6 n LYS 349 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kh6 h LYS 351 N 2.44 0.20 -4.49 0.00 1.57 -1.17 -3.35 116.57 111.77 3kh6 h LYS 351 Ca -0.31 -0.35 -0.18 0.00 -1.87 0.00 0.00 60.65 57.94 3kh6 h LYS 351 Cb 1.24 0.13 -0.15 0.00 0.08 0.00 0.00 32.23 33.53 3kh6 h LYS 351 CO 0.45 1.17 -0.69 0.96 -0.57 0.00 0.00 179.45 180.77 3kh6 s ILE 352 N -2.51 0.50 -0.10 1.86 -4.36 -1.08 -2.45 121.20 113.07 3kh6 s ILE 352 Ca -0.24 -1.89 0.04 0.00 -0.26 0.00 0.00 60.65 58.31 3kh6 s ILE 352 Cb 0.06 -1.63 -0.00 0.00 1.25 0.00 0.00 42.46 42.14 3kh6 s ILE 352 CO 0.73 -0.92 -0.22 -0.63 0.24 0.00 0.00 174.94 174.14 3kh6 s ILE 353 N -3.75 2.21 -0.28 8.37 1.01 0.09 -2.47 121.20 126.39 3kh6 s ILE 353 Ca 0.10 -0.97 -0.09 0.00 0.00 0.00 0.00 60.65 59.69 3kh6 s ILE 353 Cb 0.06 -1.85 -0.02 0.00 0.01 0.00 0.00 42.46 40.66 3kh6 s ILE 353 CO -0.07 0.56 0.11 -0.63 0.00 0.00 0.00 174.94 174.91 3kh6 s ILE 354 N 0.26 4.51 -0.31 2.92 1.01 -0.62 -1.39 121.20 127.58 3kh6 s ILE 354 Ca -0.15 -0.26 -0.13 0.00 0.00 0.00 0.00 60.65 60.10 3kh6 s ILE 354 Cb -0.17 -3.20 -0.03 0.00 0.01 0.00 0.00 42.46 39.07 3kh6 s ILE 354 CO 0.08 0.21 0.27 -1.00 0.00 0.00 0.00 174.94 174.50 3kh6 s HIS 355 N 1.62 3.22 0.12 3.97 3.76 0.13 -0.91 115.29 127.21 3kh6 s HIS 355 Ca 0.06 0.06 0.10 0.00 -0.15 0.00 0.00 55.06 55.13 3kh6 s HIS 355 Cb -0.16 -2.50 -0.04 0.00 1.11 0.00 0.00 32.58 30.99 3kh6 s HIS 355 CO 0.05 -0.28 -0.26 0.14 -0.85 0.00 0.00 174.74 173.54 3kh6 s VAL 356 N 1.86 2.15 -0.12 -0.90 -7.23 0.20 -1.97 120.40 114.39 3kh6 s VAL 356 Ca 0.09 -1.71 -0.29 0.00 -1.81 0.00 0.00 61.98 58.26 3kh6 s VAL 356 Cb -0.16 -1.91 -0.01 0.00 0.56 0.00 0.00 36.38 34.86 3kh6 s VAL 356 CO 0.11 0.06 1.00 -2.16 -0.31 0.00 0.00 175.10 173.81 3kh6 s PRO 357 N -2.02 4.40 0.12 4.82 0.04 -1.26 -0.64 135.00 140.46 3kh6 s PRO 357 Ca 0.12 1.37 0.26 0.00 0.04 0.00 0.00 61.00 62.79 3kh6 s PRO 357 Cb -0.10 -3.56 0.96 0.00 0.04 0.00 0.00 34.50 31.85 3kh6 s PRO 357 CO 0.06 -0.36 1.79 0.41 0.04 0.00 0.00 177.00 178.94 3kh6 n GLY 358 N 3.14 -1.50 0.07 0.56 0.00 -0.57 -2.68 105.19 104.21 3kh6 n GLY 358 Ca 0.09 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.19 3kh6 n GLY 358 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3kh6 h GLY 359 N 4.17 0.00 -1.31 -0.02 0.00 -1.92 -3.35 103.07 100.64 3kh6 h GLY 359 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.84 3kh6 h GLY 359 CO 0.00 0.00 0.32 0.54 0.00 0.00 0.00 176.54 177.40 3kh6 s LYS 360 N -3.16 3.03 -0.44 4.80 1.02 -1.09 -4.96 119.74 118.94 3kh6 s LYS 360 Ca 0.07 0.35 -0.43 0.00 0.02 0.00 0.00 55.97 55.97 3kh6 s LYS 360 Cb 0.13 -2.13 -0.18 0.00 -0.52 0.00 0.00 37.83 35.13 3kh6 s LYS 360 CO 0.70 -0.81 1.94 -3.47 -0.92 0.00 0.00 175.35 172.79 3kh6 n ASP 361 N -2.79 1.35 -0.13 2.83 4.64 -1.26 -4.87 116.55 116.31 3kh6 n ASP 361 Ca 0.06 0.84 -0.12 0.00 -1.38 0.00 0.00 54.79 54.19 3kh6 n ASP 361 Cb 0.57 -0.99 -0.01 0.00 -1.04 0.00 0.00 41.12 39.65 3kh6 n ASP 361 CO 0.00 0.00 0.00 0.58 -0.82 0.00 0.00 177.20 176.96 3kh6 h VAL 362 N 6.19 1.27 -0.18 5.18 2.07 -1.93 -1.08 116.25 127.77 3kh6 h VAL 362 Ca -0.28 -1.48 0.02 0.00 0.82 0.00 0.00 66.70 65.78 3kh6 h VAL 362 Cb 1.38 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 32.40 3kh6 h VAL 362 CO 1.03 0.50 0.05 -0.09 0.02 0.00 0.00 177.57 179.08 3kh6 h ARG 363 N 0.80 0.13 -0.57 1.57 2.43 -1.90 0.97 114.38 117.81 3kh6 h ARG 363 Ca 0.08 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.24 3kh6 h ARG 363 Cb 0.90 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.39 3kh6 h ARG 363 CO 0.08 0.09 0.34 -0.22 -1.51 0.00 0.00 179.97 178.75 3kh6 h LYS 364 N 0.13 0.78 -0.31 0.20 3.64 -1.89 0.71 116.57 119.84 3kh6 h LYS 364 Ca 0.08 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 3kh6 h LYS 364 Cb 0.06 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 3kh6 h LYS 364 CO -0.09 0.57 0.20 1.15 -2.27 0.00 0.00 179.45 179.01 3kh6 h THR 365 N 0.77 1.07 -0.17 1.00 2.02 -0.66 -1.92 112.91 115.02 3kh6 h THR 365 Ca 0.21 -0.14 -0.14 0.00 0.77 0.00 0.00 66.41 67.10 3kh6 h THR 365 Cb -0.01 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 3kh6 h THR 365 CO -0.04 0.07 -0.50 0.58 0.37 0.00 0.00 175.52 176.01 3kh6 h VAL 366 N 0.41 1.33 -0.70 3.16 2.07 -0.54 -1.10 116.25 120.87 3kh6 h VAL 366 Ca 0.12 -1.73 0.03 0.00 0.82 0.00 0.00 66.70 65.94 3kh6 h VAL 366 Cb -0.04 1.74 -0.04 0.00 -1.52 0.00 0.00 31.29 31.43 3kh6 h VAL 366 CO -0.03 0.53 0.44 0.74 0.02 0.00 0.00 177.57 179.27 3kh6 h THR 367 N 0.37 1.08 -0.47 2.57 2.02 -0.59 -0.74 112.91 117.15 3kh6 h THR 367 Ca 0.02 -0.29 -0.10 0.00 0.77 0.00 0.00 66.41 66.80 3kh6 h THR 367 Cb 1.01 0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.56 3kh6 h THR 367 CO 0.09 0.15 -0.12 -1.28 0.37 0.00 0.00 175.52 174.74 3kh6 h SER 368 N 0.85 0.86 -0.31 4.18 0.87 -1.09 -0.85 113.55 118.06 3kh6 h SER 368 Ca 0.28 -0.27 -0.00 0.00 -1.23 0.00 0.00 61.79 60.57 3kh6 h SER 368 Cb 0.03 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.75 3kh6 h SER 368 CO -0.11 0.99 0.18 0.58 -0.53 0.00 0.00 176.83 177.93 3kh6 h VAL 369 N 0.77 1.11 -0.62 2.23 2.07 -0.69 -0.18 116.25 120.95 3kh6 h VAL 369 Ca 0.13 -0.27 -0.07 0.00 0.82 0.00 0.00 66.70 67.31 3kh6 h VAL 369 Cb 0.63 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 3kh6 h VAL 369 CO 0.04 0.11 0.13 -0.07 0.02 0.00 0.00 177.57 177.80 3kh6 h LEU 370 N 0.39 0.96 -0.84 2.57 3.38 -0.96 -1.23 115.31 119.57 3kh6 h LEU 370 Ca 0.11 -0.25 -0.07 0.00 0.09 0.00 0.00 57.88 57.76 3kh6 h LEU 370 Cb 0.02 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 3kh6 h LEU 370 CO -0.02 0.96 0.06 -0.33 0.09 0.00 0.00 178.44 179.20 3kh6 h GLU 371 N 0.92 0.93 -0.69 1.13 4.39 -0.98 -1.72 114.58 118.56 3kh6 h GLU 371 Ca 0.19 -0.24 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 3kh6 h GLU 371 Cb 0.39 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.90 3kh6 h GLU 371 CO 0.01 0.89 0.35 0.93 -1.16 0.00 0.00 179.01 180.02 3kh6 h GLU 372 N 0.88 0.99 0.15 2.33 4.39 -0.76 -1.57 114.58 120.98 3kh6 h GLU 372 Ca 0.17 -0.14 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 3kh6 h GLU 372 Cb 0.43 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 3kh6 h GLU 372 CO 0.01 0.77 -0.07 0.00 -1.16 0.00 0.00 179.01 178.56 3kh6 h GLU 374 N -0.21 -0.13 0.00 0.00 4.57 -1.24 -0.95 114.58 116.62 3kh6 h GLU 374 Ca -0.02 0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.12 3kh6 h GLU 374 Cb 0.16 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.77 3kh6 h GLU 374 CO 0.03 -0.08 -0.24 -0.56 -1.18 0.00 0.00 179.01 176.98 3kh6 h GLN 375 N -0.13 0.00 -0.13 1.92 3.07 -1.18 0.60 115.11 119.26 3kh6 h GLN 375 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.82 3kh6 h GLN 375 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.81 3kh6 h GLN 375 CO -0.20 0.24 0.00 0.54 0.09 0.00 0.00 178.83 179.50 3kh6 n ARG 376 N -4.03 1.65 -2.33 0.06 1.74 -0.79 -4.93 116.66 108.03 3kh6 n ARG 376 Ca -0.02 -0.97 -0.19 0.00 -0.77 0.00 0.00 57.85 55.90 3kh6 n ARG 376 Cb 0.31 -1.40 -0.01 0.00 -1.02 0.00 0.00 32.46 30.34 3kh6 n ARG 376 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3kh6 n LYS 377 N 0.19 -1.50 -1.90 5.56 5.02 0.20 -5.00 118.16 120.73 3kh6 n LYS 377 Ca 0.16 0.92 -0.32 0.00 -2.02 0.00 0.00 58.31 57.06 3kh6 n LYS 377 Cb 0.31 -5.46 0.02 0.00 -0.02 0.00 0.00 35.03 29.87 3kh6 n LYS 377 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3kh6 s TYR 378 N -2.93 3.28 -0.02 2.13 2.02 -0.45 -4.90 117.35 116.49 3kh6 s TYR 378 Ca 0.00 1.42 0.06 0.00 -0.37 0.00 0.00 57.07 58.17 3kh6 s TYR 378 Cb 0.00 -2.85 -0.08 0.00 -0.40 0.00 0.00 41.96 38.63 3kh6 s TYR 378 CO 0.00 -0.91 0.10 0.25 -1.57 0.00 0.00 175.55 173.42 3kh6 n THR 379 N -2.51 0.07 -3.93 -0.71 -2.24 -1.26 -2.84 114.28 100.86 3kh6 n THR 379 Ca 0.07 -0.15 -0.13 0.00 -2.27 0.00 0.00 64.05 61.57 3kh6 n THR 379 Cb 0.54 0.13 -0.14 0.00 -2.10 0.00 0.00 70.33 68.75 3kh6 n THR 379 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3kh6 s SER 380 N -2.85 0.15 -0.00 3.42 1.04 -1.26 -1.26 113.70 112.94 3kh6 s SER 380 Ca -0.02 -0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.39 3kh6 s SER 380 Cb 0.03 -0.02 -0.00 0.00 0.10 0.00 0.00 66.02 66.13 3kh6 s SER 380 CO 0.23 0.01 -0.02 0.54 0.98 0.00 0.00 173.24 174.98 3kh6 s VAL 381 N 0.04 0.12 -0.03 5.02 0.11 -0.59 -1.95 120.40 123.12 3kh6 s VAL 381 Ca -0.00 -0.07 0.05 0.00 -2.93 0.00 0.00 61.98 59.02 3kh6 s VAL 381 Cb -0.01 -0.11 -0.01 0.00 -1.53 0.00 0.00 36.38 34.72 3kh6 s VAL 381 CO -0.00 0.03 -0.17 -0.44 -3.33 0.00 0.00 175.10 171.18 3kh6 s SER 382 N -0.05 2.12 0.08 3.54 0.01 -0.36 -0.89 113.70 118.15 3kh6 s SER 382 Ca 0.00 -0.34 0.01 0.00 1.31 0.00 0.00 55.95 56.94 3kh6 s SER 382 Cb -0.01 -0.46 -0.04 0.00 0.21 0.00 0.00 66.02 65.72 3kh6 s SER 382 CO -0.00 0.18 -0.06 -1.48 0.41 0.00 0.00 173.24 172.28 3kh6 s LEU 383 N -0.12 2.44 0.00 2.44 2.34 0.10 -0.93 118.68 124.95 3kh6 s LEU 383 Ca 0.00 -0.89 -0.14 0.00 0.06 0.00 0.00 54.13 53.16 3kh6 s LEU 383 Cb -0.10 -0.04 0.20 0.00 -0.56 0.00 0.00 46.19 45.70 3kh6 s LEU 383 CO 0.01 -0.43 1.22 -0.81 -1.06 0.00 0.00 176.35 175.28 3kh6 n PRO 384 N 0.36 -1.08 -2.43 1.48 -0.04 -1.26 -1.32 135.00 130.72 3kh6 n PRO 384 Ca -0.15 -2.03 -0.39 0.00 -0.04 0.00 0.00 63.50 60.89 3kh6 n PRO 384 Cb 0.59 -1.21 -0.02 0.00 -0.04 0.00 0.00 33.50 32.83 3kh6 n PRO 384 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kh6 n ALA 385 N -3.69 3.08 -1.64 0.55 0.00 -1.25 -4.81 120.51 112.74 3kh6 n ALA 385 Ca -0.20 -3.62 -0.51 0.00 0.00 0.00 0.00 53.44 49.11 3kh6 n ALA 385 Cb 0.55 -3.57 -0.06 0.00 0.00 0.00 0.00 19.45 16.37 3kh6 n ALA 385 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3kh6 n ILE 386 N 6.78 0.13 -0.57 0.00 5.41 -1.26 -2.44 119.36 127.41 3kh6 n ILE 386 Ca 0.48 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 64.21 3kh6 n ILE 386 Cb 0.46 -1.19 0.00 0.00 -0.71 0.00 0.00 39.64 38.20 3kh6 n ILE 386 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3kh6 n GLY 387 N 3.29 1.13 1.04 7.39 0.00 -1.26 -4.91 105.19 111.88 3kh6 n GLY 387 Ca 0.20 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.31 3kh6 n GLY 387 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kh6 n THR 388 N -2.00 0.80 0.00 2.61 -2.24 -1.02 -0.28 114.28 112.15 3kh6 n THR 388 Ca 0.00 -0.75 0.00 0.00 -2.27 0.00 0.00 64.05 61.03 3kh6 n THR 388 Cb 0.00 0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.56 3kh6 n THR 388 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kh6 n GLY 389 N 1.33 0.81 0.31 3.38 0.00 -1.26 -4.77 105.19 105.00 3kh6 n GLY 389 Ca 0.19 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.26 3kh6 n GLY 389 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3kh6 h ASN 390 N 0.00 0.39 0.17 1.61 -1.24 -1.98 -1.34 115.58 113.19 3kh6 h ASN 390 Ca 0.00 -0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.00 3kh6 h ASN 390 Cb 0.00 -0.09 -0.00 0.00 0.73 0.00 0.00 38.32 38.96 3kh6 h ASN 390 CO 0.00 0.27 -0.03 0.00 -1.29 0.00 0.00 177.43 176.38 3kh6 h ALA 391 N 1.78 1.25 -0.43 1.57 0.00 -1.90 -3.46 119.26 118.06 3kh6 h ALA 391 Ca 0.14 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.84 3kh6 h ALA 391 Cb 0.02 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.73 3kh6 h ALA 391 CO -0.03 0.04 -0.17 0.41 0.00 0.00 0.00 179.25 179.50 3kh6 n GLY 392 N -0.98 1.07 3.81 0.00 0.00 -0.51 -4.98 105.19 103.60 3kh6 n GLY 392 Ca -0.02 -0.55 -0.33 0.00 0.00 0.00 0.00 46.02 45.12 3kh6 n GLY 392 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kh6 s LYS 393 N -2.68 3.60 0.03 1.61 1.02 0.62 -4.97 119.74 118.97 3kh6 s LYS 393 Ca 0.00 1.23 -0.30 0.00 0.02 0.00 0.00 55.97 56.91 3kh6 s LYS 393 Cb 0.00 -2.07 -0.05 0.00 -0.52 0.00 0.00 37.83 35.18 3kh6 s LYS 393 CO 0.00 -0.59 1.26 1.21 -0.92 0.00 0.00 175.35 176.31 3kh6 s ASN 394 N -2.51 7.01 0.31 2.83 3.84 -1.26 -4.50 114.94 120.65 3kh6 s ASN 394 Ca 0.64 2.03 0.14 0.00 0.21 0.00 0.00 52.86 55.88 3kh6 s ASN 394 Cb -0.15 -2.57 0.46 0.00 -0.55 0.00 0.00 41.25 38.44 3kh6 s ASN 394 CO 0.29 -0.56 1.65 1.55 -2.79 0.00 0.00 177.10 177.25 3kh6 h PRO 395 N 7.10 0.00 0.02 0.43 0.13 -1.94 -1.66 132.00 136.08 3kh6 h PRO 395 Ca -0.40 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.75 3kh6 h PRO 395 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 3kh6 h PRO 395 CO 0.85 0.53 -0.12 0.82 -0.23 0.00 0.00 178.00 179.85 3kh6 h ILE 396 N 0.00 0.71 -0.90 -3.56 2.04 -1.93 -1.44 117.51 112.43 3kh6 h ILE 396 Ca -0.01 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 3kh6 h ILE 396 Cb 1.04 0.71 -0.04 0.00 -0.74 0.00 0.00 36.82 37.78 3kh6 h ILE 396 CO 0.07 0.00 0.56 0.74 0.00 0.00 0.00 178.15 179.52 3kh6 h THR 397 N -0.21 1.24 -0.47 -0.27 2.02 -1.91 -1.45 112.91 111.86 3kh6 h THR 397 Ca 0.03 -0.51 -0.07 0.00 0.77 0.00 0.00 66.41 66.64 3kh6 h THR 397 Cb 0.25 -0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 66.60 3kh6 h THR 397 CO -0.10 0.25 0.03 0.58 0.37 0.00 0.00 175.52 176.65 3kh6 h VAL 398 N 1.24 1.26 -0.38 3.16 2.07 -1.08 0.50 116.25 123.01 3kh6 h VAL 398 Ca 0.33 -1.00 0.01 0.00 0.82 0.00 0.00 66.70 66.85 3kh6 h VAL 398 Cb -0.08 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 3kh6 h VAL 398 CO -0.06 0.35 0.25 0.00 0.02 0.00 0.00 177.57 178.12 3kh6 h ALA 399 N 0.93 0.49 -0.85 1.67 0.00 -0.94 -1.39 119.26 119.17 3kh6 h ALA 399 Ca 0.14 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3kh6 h ALA 399 Cb 0.46 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 3kh6 h ALA 399 CO 0.02 -0.07 0.49 -0.44 0.00 0.00 0.00 179.25 179.25 3kh6 h ASP 400 N 0.50 1.03 -0.54 0.00 3.32 -0.97 -1.34 116.42 118.43 3kh6 h ASP 400 Ca 0.14 -0.08 -0.10 0.00 0.02 0.00 0.00 57.03 57.01 3kh6 h ASP 400 Cb -0.04 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.23 3kh6 h ASP 400 CO -0.04 0.81 -0.05 0.78 -1.72 0.00 0.00 179.24 179.02 3kh6 h ASN 401 N 1.17 0.98 -0.34 6.45 2.35 -0.62 0.13 115.58 125.70 3kh6 h ASN 401 Ca 0.30 -0.33 -0.08 0.00 -0.55 0.00 0.00 56.30 55.64 3kh6 h ASN 401 Cb -0.01 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.08 3kh6 h ASN 401 CO -0.05 1.08 -0.10 0.40 -1.65 0.00 0.00 177.43 177.11 3kh6 h ILE 402 N 0.87 1.28 -0.49 2.81 2.04 -1.02 -1.44 117.51 121.56 3kh6 h ILE 402 Ca 0.15 -1.16 -0.05 0.00 1.00 0.00 0.00 64.86 64.80 3kh6 h ILE 402 Cb 0.61 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 38.01 3kh6 h ILE 402 CO 0.04 0.38 0.13 0.40 0.00 0.00 0.00 178.15 179.10 3kh6 h ILE 403 N 0.44 1.24 -0.66 -0.67 2.04 -1.13 -2.09 117.51 116.68 3kh6 h ILE 403 Ca 0.08 -0.82 0.13 0.00 1.00 0.00 0.00 64.86 65.25 3kh6 h ILE 403 Cb 0.60 0.83 -0.09 0.00 -0.74 0.00 0.00 36.82 37.42 3kh6 h ILE 403 CO 0.04 0.30 0.17 0.44 0.00 0.00 0.00 178.15 179.09 3kh6 h ASP 404 N 0.67 0.06 -0.51 1.72 3.32 -0.51 -1.06 116.42 120.11 3kh6 h ASP 404 Ca 0.16 0.12 -0.09 0.00 0.02 0.00 0.00 57.03 57.23 3kh6 h ASP 404 Cb 0.32 0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.00 3kh6 h ASP 404 CO 0.00 0.02 -0.04 0.00 -1.72 0.00 0.00 179.24 177.50 3kh6 h ALA 405 N 1.52 0.69 -0.46 3.45 0.00 -1.01 -1.58 119.26 121.86 3kh6 h ALA 405 Ca 0.35 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3kh6 h ALA 405 Cb 0.54 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3kh6 h ALA 405 CO -0.42 0.53 0.17 0.82 0.00 0.00 0.00 179.25 180.35 3kh6 h ILE 406 N 0.78 1.21 -0.74 0.00 2.04 -0.76 -1.23 117.51 118.81 3kh6 h ILE 406 Ca 0.14 -0.67 -0.00 0.00 1.00 0.00 0.00 64.86 65.32 3kh6 h ILE 406 Cb 0.57 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 37.41 3kh6 h ILE 406 CO 0.03 0.25 0.45 0.58 0.00 0.00 0.00 178.15 179.46 3kh6 h VAL 407 N 0.60 1.21 -0.22 1.67 2.07 -1.11 0.11 116.25 120.57 3kh6 h VAL 407 Ca 0.15 -0.46 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 3kh6 h VAL 407 Cb 0.22 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 3kh6 h VAL 407 CO -0.01 0.22 0.12 0.44 0.02 0.00 0.00 177.57 178.36 3kh6 h ASP 408 N 1.01 0.28 -0.38 0.57 3.32 -1.14 -0.48 116.42 119.61 3kh6 h ASP 408 Ca 0.27 -0.09 -0.04 0.00 0.02 0.00 0.00 57.03 57.19 3kh6 h ASP 408 Cb -0.04 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 3kh6 h ASP 408 CO -0.05 0.28 0.08 0.15 -1.72 0.00 0.00 179.24 177.99 3kh6 h PHE 409 N 0.25 0.65 -0.56 4.55 3.04 -0.85 -2.56 116.94 121.46 3kh6 h PHE 409 Ca 0.08 -0.08 0.00 0.00 3.98 0.00 0.00 57.97 61.95 3kh6 h PHE 409 Cb 0.07 -0.18 -0.03 0.00 2.56 0.00 0.00 35.95 38.37 3kh6 h PHE 409 CO -0.04 0.64 0.35 1.03 -2.02 0.00 0.00 178.31 178.27 3kh6 h SER 410 N 0.47 0.66 0.61 0.41 0.87 -0.62 -1.57 113.55 114.37 3kh6 h SER 410 Ca 0.12 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 3kh6 h SER 410 Cb 0.33 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.12 3kh6 h SER 410 CO 0.00 0.50 0.00 0.77 -0.53 0.00 0.00 176.83 177.58 3kh6 h SER 411 N 0.75 0.00 0.08 6.23 4.64 -0.95 -2.08 113.55 122.22 3kh6 h SER 411 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 3kh6 h SER 411 Cb -0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 3kh6 h SER 411 CO -0.04 0.00 -0.74 0.00 -0.87 0.00 0.00 176.83 175.18 3kh6 n GLN 412 N -2.52 0.37 -3.63 4.77 3.00 -0.67 -4.85 117.38 113.86 3kh6 n GLN 412 Ca 0.01 -0.29 -0.28 0.00 -0.01 0.00 0.00 57.00 56.42 3kh6 n GLN 412 Cb 0.20 -1.49 -0.16 0.00 0.00 0.00 0.00 30.24 28.79 3kh6 n GLN 412 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 3kh6 s HIS 413 N -2.83 0.67 -0.30 1.08 3.76 -0.76 -5.01 115.29 111.91 3kh6 s HIS 413 Ca 0.12 -0.87 0.21 0.00 -0.15 0.00 0.00 55.06 54.37 3kh6 s HIS 413 Cb 0.17 -1.01 0.14 0.00 1.11 0.00 0.00 32.58 32.99 3kh6 s HIS 413 CO 0.75 -0.71 1.34 0.66 -0.85 0.00 0.00 174.74 175.92 3kh6 h SER 414 N 8.32 0.00 -2.03 1.40 4.64 -1.89 -3.39 113.55 120.61 3kh6 h SER 414 Ca -0.17 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.62 3kh6 h SER 414 Cb 1.07 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.76 3kh6 h SER 414 CO 0.38 0.15 -1.08 0.35 -0.87 0.00 0.00 176.83 175.76 3kh6 n THR 415 N -2.98 -0.11 -1.89 2.95 -2.24 -1.26 -4.74 114.28 104.01 3kh6 n THR 415 Ca 0.01 -4.38 -0.31 0.00 -2.27 0.00 0.00 64.05 57.10 3kh6 n THR 415 Cb 0.60 -1.35 0.01 0.00 -2.10 0.00 0.00 70.33 67.49 3kh6 n THR 415 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3kh6 s PRO 416 N -1.82 3.46 0.18 -0.78 0.04 -1.26 -4.95 135.00 129.87 3kh6 s PRO 416 Ca 0.38 0.87 0.01 0.00 0.04 0.00 0.00 61.00 62.29 3kh6 s PRO 416 Cb 0.24 -2.06 0.06 0.00 0.04 0.00 0.00 34.50 32.78 3kh6 s PRO 416 CO -0.09 -0.68 1.43 0.66 0.04 0.00 0.00 177.00 178.36 3kh6 h SER 417 N -0.18 0.36 -3.13 6.66 4.64 -1.90 -3.42 113.55 116.59 3kh6 h SER 417 Ca -0.45 -0.25 -0.55 0.00 -0.47 0.00 0.00 61.79 60.07 3kh6 h SER 417 Cb 1.20 -0.11 -0.06 0.00 -0.31 0.00 0.00 62.40 63.11 3kh6 h SER 417 CO 0.60 1.00 1.04 -0.22 -0.87 0.00 0.00 176.83 178.38 3kh6 s LEU 418 N -7.74 3.48 -0.01 5.97 2.96 -1.13 -4.09 118.68 118.11 3kh6 s LEU 418 Ca -0.04 0.36 0.11 0.00 -0.22 0.00 0.00 54.13 54.34 3kh6 s LEU 418 Cb 0.10 -3.24 -0.17 0.00 0.50 0.00 0.00 46.19 43.38 3kh6 s LEU 418 CO 0.83 -1.54 0.25 0.29 -1.32 0.00 0.00 176.35 174.86 3kh6 n LYS 419 N 8.39 0.44 -3.90 1.98 5.02 -0.39 -4.82 118.16 124.88 3kh6 n LYS 419 Ca 0.12 -0.10 -0.27 0.00 -2.02 0.00 0.00 58.31 56.04 3kh6 n LYS 419 Cb 0.49 -1.26 -0.17 0.00 -0.02 0.00 0.00 35.03 34.07 3kh6 n LYS 419 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3kh6 s THR 420 N -2.75 1.00 -0.15 -0.18 2.01 -0.89 -0.53 115.64 114.15 3kh6 s THR 420 Ca -0.04 -0.29 0.02 0.00 0.31 0.00 0.00 61.69 61.69 3kh6 s THR 420 Cb 0.07 -1.03 0.01 0.00 0.01 0.00 0.00 72.50 71.56 3kh6 s THR 420 CO 0.46 0.35 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.85 3kh6 s VAL 421 N 1.72 2.24 -0.07 3.82 1.01 -0.07 -1.54 120.40 127.51 3kh6 s VAL 421 Ca 0.05 -0.91 0.04 0.00 0.00 0.00 0.00 61.98 61.16 3kh6 s VAL 421 Cb -0.13 -1.92 -0.00 0.00 0.00 0.00 0.00 36.38 34.33 3kh6 s VAL 421 CO -0.08 0.54 -0.21 -0.75 0.00 0.00 0.00 175.10 174.59 3kh6 s LYS 422 N 0.91 2.48 -0.30 2.72 2.20 -0.06 -0.23 119.74 127.46 3kh6 s LYS 422 Ca -0.04 -0.77 -0.15 0.00 -0.36 0.00 0.00 55.97 54.65 3kh6 s LYS 422 Cb -0.15 -2.00 -0.03 0.00 -1.51 0.00 0.00 37.83 34.14 3kh6 s LYS 422 CO -0.03 0.23 0.35 0.08 -0.36 0.00 0.00 175.35 175.62 3kh6 s VAL 423 N 0.18 5.18 -0.22 4.02 1.01 0.57 -0.72 120.40 130.43 3kh6 s VAL 423 Ca -0.11 0.32 -0.19 0.00 0.00 0.00 0.00 61.98 62.00 3kh6 s VAL 423 Cb -0.15 -3.73 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 3kh6 s VAL 423 CO 0.05 0.06 0.55 -0.69 0.00 0.00 0.00 175.10 175.08 3kh6 s VAL 424 N 2.03 5.07 -0.21 2.92 1.01 -0.43 -1.73 120.40 129.05 3kh6 s VAL 424 Ca 0.13 1.01 -0.07 0.00 0.00 0.00 0.00 61.98 63.05 3kh6 s VAL 424 Cb -0.16 -3.87 -0.03 0.00 0.00 0.00 0.00 36.38 32.31 3kh6 s VAL 424 CO 0.11 0.13 0.05 -0.63 0.00 0.00 0.00 175.10 174.76 3kh6 s ILE 425 N 1.92 4.44 -0.19 2.22 -1.09 0.92 -3.86 121.20 125.55 3kh6 s ILE 425 Ca 0.25 -0.14 0.01 0.00 -2.23 0.00 0.00 60.65 58.54 3kh6 s ILE 425 Cb -0.16 -3.03 -0.21 0.00 -1.58 0.00 0.00 42.46 37.48 3kh6 s ILE 425 CO 0.10 0.40 0.06 0.33 -1.23 0.00 0.00 174.94 174.60 3kh6 n PHE 426 N 4.22 0.50 -2.97 3.97 7.35 -1.25 -0.29 117.46 128.99 3kh6 n PHE 426 Ca -0.16 0.12 -0.43 0.00 -0.76 0.00 0.00 57.45 56.21 3kh6 n PHE 426 Cb 0.52 -1.07 -0.05 0.00 0.35 0.00 0.00 39.48 39.23 3kh6 n PHE 426 CO 0.00 0.00 0.00 -0.65 -0.76 0.00 0.00 176.76 175.35 3kh6 s GLN 427 N -2.54 3.28 0.53 -4.13 -0.21 -1.26 -4.86 119.66 110.48 3kh6 s GLN 427 Ca -0.26 -0.42 0.21 0.00 0.02 0.00 0.00 55.36 54.91 3kh6 s GLN 427 Cb 0.08 -4.03 1.37 0.00 1.00 0.00 0.00 33.01 31.43 3kh6 s GLN 427 CO 0.70 -1.30 2.10 -1.35 -2.12 0.00 0.00 175.29 173.32 3kh6 h PRO 428 N 9.12 0.00 -0.81 2.91 0.11 -2.01 -0.26 132.00 141.06 3kh6 h PRO 428 Ca -0.26 0.00 0.21 0.00 0.11 0.00 0.00 66.00 66.06 3kh6 h PRO 428 Cb 1.08 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.15 3kh6 h PRO 428 CO 1.01 0.00 0.57 1.49 -0.21 0.00 0.00 178.00 180.86 3kh6 h GLU 429 N 0.00 0.14 0.00 1.05 4.81 -1.99 -1.30 114.58 117.29 3kh6 h GLU 429 Ca 0.08 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 3kh6 h GLU 429 Cb 0.35 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.70 3kh6 h GLU 429 CO -0.00 0.09 0.00 1.28 -0.73 0.00 0.00 179.01 179.65 3kh6 n LEU 430 N -4.38 0.39 -0.08 1.64 4.77 -0.11 -3.75 117.00 115.48 3kh6 n LEU 430 Ca 0.17 0.54 -0.09 0.00 -0.03 0.00 0.00 56.01 56.59 3kh6 n LEU 430 Cb 0.78 -0.42 -0.02 0.00 -2.33 0.00 0.00 43.42 41.43 3kh6 n LEU 430 CO 0.36 -0.11 0.96 0.25 -1.33 0.00 0.00 177.39 177.52 3kh6 h LEU 431 N 0.00 0.35 -0.45 2.23 5.85 -1.37 -1.44 115.31 120.48 3kh6 h LEU 431 Ca 0.00 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 3kh6 h LEU 431 Cb 0.59 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.53 3kh6 h LEU 431 CO 0.00 0.30 -0.08 0.78 -0.34 0.00 0.00 178.44 179.10 3kh6 h ASN 432 N 0.37 0.00 -0.48 1.25 4.21 -1.73 -1.15 115.58 118.05 3kh6 h ASN 432 Ca 0.10 0.00 -0.06 0.00 1.21 0.00 0.00 56.30 57.55 3kh6 h ASN 432 Cb 0.01 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.20 3kh6 h ASN 432 CO -0.02 0.08 0.06 0.40 -1.29 0.00 0.00 177.43 176.66 3kh6 h ILE 433 N 0.00 1.25 -0.56 2.81 2.04 -1.62 -1.58 117.51 119.86 3kh6 h ILE 433 Ca -0.00 -0.95 -0.07 0.00 1.00 0.00 0.00 64.86 64.84 3kh6 h ILE 433 Cb 0.90 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.90 3kh6 h ILE 433 CO 0.01 0.33 0.07 -0.26 0.00 0.00 0.00 178.15 178.31 3kh6 h PHE 434 N 0.67 1.01 -0.31 1.37 -1.00 -0.85 -2.84 116.94 114.99 3kh6 h PHE 434 Ca 0.14 -0.15 0.04 0.00 2.81 0.00 0.00 57.97 60.81 3kh6 h PHE 434 Cb 0.42 -0.27 -0.03 0.00 3.61 0.00 0.00 35.95 39.67 3kh6 h PHE 434 CO 0.03 0.89 0.10 -0.92 -1.61 0.00 0.00 178.31 176.80 3kh6 h TYR 435 N 0.83 0.18 -0.82 -0.55 5.03 -1.06 -1.41 116.97 119.17 3kh6 h TYR 435 Ca 0.17 0.02 0.11 0.00 2.58 0.00 0.00 58.73 61.60 3kh6 h TYR 435 Cb 0.44 -0.04 -0.06 0.00 1.55 0.00 0.00 36.73 38.63 3kh6 h TYR 435 CO 0.03 0.08 0.53 -0.44 -1.32 0.00 0.00 178.16 177.04 3kh6 h ASP 436 N 0.23 0.67 0.16 -2.11 3.32 -1.12 0.16 116.42 117.72 3kh6 h ASP 436 Ca 0.14 0.02 -0.21 0.00 0.02 0.00 0.00 57.03 57.01 3kh6 h ASP 436 Cb 0.12 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3kh6 h ASP 436 CO -0.15 0.38 -0.80 -1.28 -1.72 0.00 0.00 179.24 175.68 3kh6 h SER 437 N 0.73 0.63 -0.35 6.45 0.87 -1.18 -3.25 113.55 117.45 3kh6 h SER 437 Ca 0.39 -0.43 -0.01 0.00 -1.23 0.00 0.00 61.79 60.50 3kh6 h SER 437 Cb 0.50 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.26 3kh6 h SER 437 CO -0.16 1.20 0.16 0.24 -0.53 0.00 0.00 176.83 177.75 3kh6 h MET 438 N 0.34 0.51 0.00 2.24 2.86 -0.28 -3.20 114.93 117.40 3kh6 h MET 438 Ca -0.05 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.50 3kh6 h MET 438 Cb 1.40 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.97 3kh6 h MET 438 CO 0.15 0.47 -0.06 1.57 1.06 0.00 0.00 176.91 180.10 3kh6 h LYS 439 N 0.43 0.00 0.00 1.72 2.10 -1.04 -0.08 116.57 119.70 3kh6 h LYS 439 Ca 0.12 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.77 3kh6 h LYS 439 Cb 0.14 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.47 3kh6 h LYS 439 CO -0.01 0.06 0.00 0.87 -2.00 0.00 0.00 179.45 178.36 3kh6 h LYS 440 N 0.00 0.00 0.00 0.07 1.79 -1.58 -2.73 116.57 114.11 3kh6 h LYS 440 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3kh6 h LYS 440 Cb 0.20 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.85 3kh6 h LYS 440 CO 0.01 0.00 -0.60 0.54 -1.08 0.00 0.00 179.45 178.31 3kh6 n ARG 441 N -3.04 0.01 -2.88 3.15 5.12 -0.04 -5.00 116.66 113.97 3kh6 n ARG 441 Ca -0.00 0.00 -0.37 0.00 -1.93 0.00 0.00 57.85 55.55 3kh6 n ARG 441 Cb 0.24 -1.50 -0.06 0.00 -1.16 0.00 0.00 32.46 29.97 3kh6 n ARG 441 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 3kh6 s ASP 442 N -3.04 7.25 0.00 0.55 2.15 -1.03 -5.17 116.67 117.38 3kh6 s ASP 442 Ca 0.10 1.71 0.07 0.00 0.43 0.00 0.00 52.55 54.85 3kh6 s ASP 442 Cb 0.17 -2.53 0.05 0.00 -0.30 0.00 0.00 42.92 40.31 3kh6 s ASP 442 CO 0.73 -0.03 0.71 0.18 -0.17 0.00 0.00 175.17 176.59