#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kg1 s ASP 278 N 0.00 3.31 0.32 1.61 2.15 -1.26 -5.06 116.67 117.74 2kg1 s ASP 278 Ca 0.00 2.02 -0.11 0.00 0.43 0.00 0.00 52.55 54.89 2kg1 s ASP 278 Cb 0.00 -2.53 0.02 0.00 -0.30 0.00 0.00 42.92 40.11 2kg1 s ASP 278 CO 0.00 -2.83 0.60 -0.94 -0.17 0.00 0.00 175.17 171.83 2kg1 s SER 279 N -2.91 0.24 0.17 -0.34 1.04 -1.26 -5.19 113.70 105.45 2kg1 s SER 279 Ca 0.65 -1.13 -0.06 0.00 0.48 0.00 0.00 55.95 55.88 2kg1 s SER 279 Cb -0.21 0.71 -0.02 0.00 0.10 0.00 0.00 66.02 66.60 2kg1 s SER 279 CO 0.58 -1.39 0.22 -1.61 0.98 0.00 0.00 173.24 172.02 2kg1 s GLU 280 N -3.17 1.15 0.29 4.02 2.02 -1.26 -5.19 118.70 116.56 2kg1 s GLU 280 Ca 0.21 -1.32 0.02 0.00 0.02 0.00 0.00 54.97 53.90 2kg1 s GLU 280 Cb -0.03 0.34 -0.03 0.00 0.10 0.00 0.00 34.13 34.51 2kg1 s GLU 280 CO 0.13 -0.40 0.28 -0.06 0.02 0.00 0.00 175.26 175.23 2kg1 s PHE 281 N -4.02 1.38 0.26 1.61 0.08 -1.26 -5.19 117.98 110.84 2kg1 s PHE 281 Ca 0.23 -1.46 0.00 0.00 0.12 0.00 0.00 56.93 55.82 2kg1 s PHE 281 Cb 0.04 -0.51 -0.03 0.00 -0.57 0.00 0.00 43.02 41.96 2kg1 s PHE 281 CO 0.03 -0.86 0.24 0.95 -0.10 0.00 0.00 175.22 175.48 2kg1 s THR 282 N -3.61 0.00 0.04 0.64 -4.23 -1.26 -4.98 115.64 102.24 2kg1 s THR 282 Ca 0.37 -1.91 -0.04 0.00 -1.18 0.00 0.00 61.69 58.93 2kg1 s THR 282 Cb 0.03 -2.49 -0.02 0.00 1.34 0.00 0.00 72.50 71.36 2kg1 s THR 282 CO 0.21 0.00 0.05 -0.69 -0.54 0.00 0.00 174.62 173.65 2kg1 s VAL 283 N -3.83 0.15 0.31 2.29 1.01 -1.26 -5.00 120.40 114.08 2kg1 s VAL 283 Ca 0.37 -1.27 -0.03 0.00 0.00 0.00 0.00 61.98 61.05 2kg1 s VAL 283 Cb 0.04 -1.02 -0.00 0.00 0.00 0.00 0.00 36.38 35.40 2kg1 s VAL 283 CO 0.17 -0.70 0.43 0.00 0.00 0.00 0.00 175.10 175.00 2kg1 s GLN 284 N -2.92 1.78 0.25 2.72 -2.07 -1.26 -4.69 119.66 113.48 2kg1 s GLN 284 Ca -0.02 -1.68 -0.12 0.00 -1.82 0.00 0.00 55.36 51.72 2kg1 s GLN 284 Cb 0.01 0.43 -0.01 0.00 -1.09 0.00 0.00 33.01 32.35 2kg1 s GLN 284 CO -0.06 -0.72 0.46 0.45 -1.32 0.00 0.00 175.29 174.10 2kg1 s SER 285 N -3.20 -0.03 0.22 12.60 0.15 -1.26 -4.98 113.70 117.20 2kg1 s SER 285 Ca 0.31 -0.99 0.17 0.00 0.70 0.00 0.00 55.95 56.13 2kg1 s SER 285 Cb 0.00 0.58 0.85 0.00 -1.71 0.00 0.00 66.02 65.75 2kg1 s SER 285 CO 0.18 -1.14 1.51 1.07 1.20 0.00 0.00 173.24 176.07 2kg1 n THR 286 N -0.39 1.21 1.36 6.45 5.66 -1.26 -1.62 114.28 125.69 2kg1 n THR 286 Ca -0.01 0.57 0.07 0.00 -3.05 0.00 0.00 64.05 61.63 2kg1 n THR 286 Cb 0.62 -1.55 0.43 0.00 -1.55 0.00 0.00 70.33 68.29 2kg1 n THR 286 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 2kg1 n THR 287 N -2.04 0.00 -0.54 1.09 -1.04 -1.26 -4.82 114.28 105.67 2kg1 n THR 287 Ca -0.00 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.70 2kg1 n THR 287 Cb 0.07 -0.50 0.28 0.00 -1.82 0.00 0.00 70.33 68.36 2kg1 n THR 287 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2kg1 s GLY 288 N -1.78 1.45 0.22 3.41 0.00 -0.64 -3.04 107.32 106.94 2kg1 s GLY 288 Ca 0.22 -0.93 -0.30 0.00 0.00 0.00 0.00 44.72 43.71 2kg1 s GLY 288 CO 0.17 0.09 1.03 0.30 0.00 0.00 0.00 173.10 174.68 2kg1 s HIS 289 N -2.45 3.75 0.15 1.90 3.76 -1.20 -4.85 115.29 116.36 2kg1 s HIS 289 Ca 0.70 1.76 -0.00 0.00 -0.15 0.00 0.00 55.06 57.36 2kg1 s HIS 289 Cb -0.11 -3.15 -0.04 0.00 1.11 0.00 0.00 32.58 30.39 2kg1 s HIS 289 CO 0.57 -0.12 0.06 0.00 -0.85 0.00 0.00 174.74 174.40 2kg1 s VAL 291 N -3.99 0.05 0.17 0.00 1.01 -1.01 -1.77 120.40 114.86 2kg1 s VAL 291 Ca 0.27 -0.70 0.08 0.00 0.00 0.00 0.00 61.98 61.63 2kg1 s VAL 291 Cb 0.07 -1.38 -0.04 0.00 0.00 0.00 0.00 36.38 35.03 2kg1 s VAL 291 CO 0.04 -0.22 -0.16 -1.00 0.00 0.00 0.00 175.10 173.77 2kg1 s HIS 292 N -3.84 1.68 0.03 5.22 0.09 -0.94 -1.07 115.29 116.47 2kg1 s HIS 292 Ca 0.07 -0.53 -0.17 0.00 -0.00 0.00 0.00 55.06 54.42 2kg1 s HIS 292 Cb 0.01 -0.82 0.03 0.00 -0.00 0.00 0.00 32.58 31.80 2kg1 s HIS 292 CO -0.07 0.30 0.38 0.00 -0.00 0.00 0.00 174.74 175.35 2kg1 s MET 293 N -3.15 0.86 0.34 1.40 0.23 -0.98 -0.66 119.30 117.35 2kg1 s MET 293 Ca 0.17 -0.36 -0.05 0.00 -1.03 0.00 0.00 55.69 54.43 2kg1 s MET 293 Cb -0.03 0.38 0.02 0.00 -1.53 0.00 0.00 34.83 33.67 2kg1 s MET 293 CO 0.06 -0.28 0.53 0.54 -2.03 0.00 0.00 175.02 173.83 2kg1 n ARG 294 N 0.63 0.76 0.00 3.16 1.74 -0.31 -2.85 116.66 119.79 2kg1 n ARG 294 Ca -0.19 -2.54 0.00 0.00 -0.77 0.00 0.00 57.85 54.35 2kg1 n ARG 294 Cb 0.59 2.59 0.00 0.00 -1.02 0.00 0.00 32.46 34.62 2kg1 n ARG 294 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2kg1 n GLY 295 N -0.54 2.19 3.63 -0.13 0.00 -1.26 -1.68 105.19 107.40 2kg1 n GLY 295 Ca -0.01 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.51 2kg1 n GLY 295 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2kg1 n LEU 296 N 0.00 2.37 -4.44 0.99 4.77 -1.26 -4.85 117.00 114.59 2kg1 n LEU 296 Ca 0.00 1.10 -0.37 0.00 -0.03 0.00 0.00 56.01 56.70 2kg1 n LEU 296 Cb 0.00 -1.30 0.05 0.00 -2.33 0.00 0.00 43.42 39.84 2kg1 n LEU 296 CO 0.00 -0.65 -0.03 -2.65 -1.33 0.00 0.00 177.39 172.73 2kg1 n PRO 297 N 3.18 0.38 0.00 3.23 -0.02 -1.26 -4.80 135.00 135.71 2kg1 n PRO 297 Ca 0.18 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 2kg1 n PRO 297 Cb 0.23 -1.68 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 2kg1 n PRO 297 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2kg1 n TYR 298 N -1.96 0.00 -1.46 6.00 4.01 -1.26 -1.58 117.16 120.92 2kg1 n TYR 298 Ca 0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.84 2kg1 n TYR 298 Cb 0.49 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.50 2kg1 n TYR 298 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 2kg1 n LYS 299 N 0.09 0.00 -3.65 -0.72 2.85 -1.26 -5.11 118.16 110.36 2kg1 n LYS 299 Ca 0.00 -0.56 -0.22 0.00 -1.05 0.00 0.00 58.31 56.48 2kg1 n LYS 299 Cb 0.05 -0.42 -0.02 0.00 -0.65 0.00 0.00 35.03 33.99 2kg1 n LYS 299 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2kg1 s ALA 300 N 0.00 4.17 0.35 0.58 0.00 -0.61 -5.15 121.76 121.10 2kg1 s ALA 300 Ca 0.00 -1.77 -0.04 0.00 0.00 0.00 0.00 51.96 50.15 2kg1 s ALA 300 Cb 0.00 -0.92 0.02 0.00 0.00 0.00 0.00 23.12 22.21 2kg1 s ALA 300 CO 0.00 -0.32 0.54 0.25 0.00 0.00 0.00 175.76 176.23 2kg1 n THR 301 N -1.63 0.00 0.05 0.00 -2.24 -1.26 -4.90 114.28 104.30 2kg1 n THR 301 Ca 0.03 -1.59 0.20 0.00 -2.27 0.00 0.00 64.05 60.42 2kg1 n THR 301 Cb 0.63 1.06 0.73 0.00 -2.10 0.00 0.00 70.33 70.64 2kg1 n THR 301 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 2kg1 h GLU 302 N 0.00 0.00 0.00 -0.78 4.11 -1.97 0.87 114.58 116.81 2kg1 h GLU 302 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.15 2kg1 h GLU 302 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2kg1 h GLU 302 CO 0.37 0.00 0.00 -2.95 0.07 0.00 0.00 179.01 176.50 2kg1 h ASN 303 N 0.00 0.00 0.15 3.06 -0.00 -1.99 -1.29 115.58 115.51 2kg1 h ASN 303 Ca 0.22 0.00 -0.32 0.00 -0.00 0.00 0.00 56.30 56.19 2kg1 h ASN 303 Cb 0.97 0.00 -0.06 0.00 -0.00 0.00 0.00 38.32 39.23 2kg1 h ASN 303 CO -0.00 0.00 -2.16 0.47 -0.00 0.00 0.00 177.43 175.74 2kg1 n ASP 304 N -2.45 0.25 0.36 6.14 8.00 0.29 -4.07 116.55 125.08 2kg1 n ASP 304 Ca -0.01 0.12 -0.14 0.00 0.71 0.00 0.00 54.79 55.46 2kg1 n ASP 304 Cb 0.09 0.75 -0.07 0.00 -0.02 0.00 0.00 41.12 41.87 2kg1 n ASP 304 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2kg1 h ILE 305 N 0.00 0.00 0.00 0.53 2.04 -1.15 -2.25 117.51 116.67 2kg1 h ILE 305 Ca -0.44 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.29 2kg1 h ILE 305 Cb 2.10 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 38.18 2kg1 h ILE 305 CO 0.04 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.19 2kg1 n TYR 306 N -4.91 0.00 0.40 1.37 0.18 -1.05 -1.76 117.16 111.38 2kg1 n TYR 306 Ca -0.12 0.00 0.11 0.00 1.88 0.00 0.00 57.90 59.77 2kg1 n TYR 306 Cb 0.37 0.00 -0.15 0.00 -0.38 0.00 0.00 39.34 39.19 2kg1 n TYR 306 CO 0.00 0.00 0.00 -1.71 -2.08 0.00 0.00 176.86 173.07 2kg1 n ASN 307 N -0.64 0.41 -0.00 9.48 5.15 -1.07 -4.58 115.26 124.01 2kg1 n ASN 307 Ca 0.06 -0.39 0.01 0.00 -0.60 0.00 0.00 54.58 53.65 2kg1 n ASN 307 Cb 0.03 1.58 -0.01 0.00 -0.53 0.00 0.00 39.78 40.84 2kg1 n ASN 307 CO 0.00 0.00 0.00 2.22 1.40 0.00 0.00 177.26 180.88 2kg1 n PHE 308 N -1.96 0.00 0.33 1.20 -1.74 -0.79 -4.81 117.46 109.69 2kg1 n PHE 308 Ca -0.01 0.00 -0.17 0.00 -0.56 0.00 0.00 57.45 56.71 2kg1 n PHE 308 Cb 0.47 -0.03 -0.09 0.00 1.52 0.00 0.00 39.48 41.35 2kg1 n PHE 308 CO 0.00 0.00 0.00 0.35 -0.56 0.00 0.00 176.76 176.55 2kg1 h PHE 309 N 0.00 -0.75 -2.21 2.97 3.04 -1.59 -3.48 116.94 114.91 2kg1 h PHE 309 Ca -0.00 -0.02 0.19 0.00 3.98 0.00 0.00 57.97 62.12 2kg1 h PHE 309 Cb 0.12 0.25 -0.10 0.00 2.56 0.00 0.00 35.95 38.78 2kg1 h PHE 309 CO 0.00 -0.45 0.53 -1.12 -2.02 0.00 0.00 178.31 175.25 2kg1 s SER 310 N -4.51 -0.19 0.00 0.41 0.01 -1.26 -4.83 113.70 103.32 2kg1 s SER 310 Ca -0.17 -0.30 0.19 0.00 1.31 0.00 0.00 55.95 56.98 2kg1 s SER 310 Cb 0.03 0.43 1.09 0.00 0.21 0.00 0.00 66.02 67.78 2kg1 s SER 310 CO 0.61 -0.77 1.52 -0.81 0.41 0.00 0.00 173.24 174.19 2kg1 n PRO 311 N -0.43 0.55 -0.74 12.44 -0.04 -1.26 -4.76 135.00 140.76 2kg1 n PRO 311 Ca -0.07 0.01 -0.33 0.00 -0.04 0.00 0.00 63.50 63.08 2kg1 n PRO 311 Cb 0.61 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.71 2kg1 n PRO 311 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2kg1 n LEU 312 N -1.03 -1.05 -4.76 1.53 4.32 -1.26 -5.00 117.00 109.74 2kg1 n LEU 312 Ca 0.13 0.15 -0.31 0.00 -0.02 0.00 0.00 56.01 55.96 2kg1 n LEU 312 Cb 0.07 -1.11 0.10 0.00 -1.62 0.00 0.00 43.42 40.86 2kg1 n LEU 312 CO 0.11 -3.42 0.70 0.20 -1.22 0.00 0.00 177.39 173.76 2kg1 s ASN 313 N -1.96 4.36 0.00 -1.43 0.01 -1.26 -4.92 114.94 109.74 2kg1 s ASN 313 Ca 0.57 1.86 0.00 0.00 -0.71 0.00 0.00 52.86 54.58 2kg1 s ASN 313 Cb -0.18 -2.53 0.00 0.00 0.41 0.00 0.00 41.25 38.96 2kg1 s ASN 313 CO 0.67 -2.13 0.71 -0.81 -1.51 0.00 0.00 177.10 174.03 2kg1 n PRO 314 N -3.58 0.90 0.00 -0.60 -0.04 -1.26 -4.15 135.00 126.27 2kg1 n PRO 314 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 2kg1 n PRO 314 Cb 0.53 -1.19 0.00 0.00 -0.04 0.00 0.00 33.50 32.80 2kg1 n PRO 314 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2kg1 n VAL 315 N -0.27 0.00 -2.68 0.52 0.24 -1.26 -4.03 118.33 110.85 2kg1 n VAL 315 Ca 0.00 0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.22 2kg1 n VAL 315 Cb 0.09 -0.38 0.03 0.00 -1.47 0.00 0.00 33.84 32.12 2kg1 n VAL 315 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 2kg1 n ARG 316 N -0.33 1.66 -3.96 7.34 1.85 -1.26 -4.44 116.66 117.52 2kg1 n ARG 316 Ca 0.00 -3.49 -0.10 0.00 -1.00 0.00 0.00 57.85 53.27 2kg1 n ARG 316 Cb 0.00 -1.51 -0.11 0.00 -1.05 0.00 0.00 32.46 29.79 2kg1 n ARG 316 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 2kg1 s VAL 317 N -3.63 0.09 0.18 8.89 -7.23 -1.26 -4.26 120.40 113.19 2kg1 s VAL 317 Ca 0.30 -0.78 -0.24 0.00 -1.81 0.00 0.00 61.98 59.45 2kg1 s VAL 317 Cb 0.40 -0.25 0.05 0.00 0.56 0.00 0.00 36.38 37.15 2kg1 s VAL 317 CO -0.01 -0.43 0.84 -2.28 -0.31 0.00 0.00 175.10 172.91 2kg1 s HIS 318 N -1.27 -0.21 -0.01 2.82 5.04 -0.53 -4.91 115.29 116.23 2kg1 s HIS 318 Ca -0.14 -0.13 -0.08 0.00 -1.54 0.00 0.00 55.06 53.18 2kg1 s HIS 318 Cb -0.09 0.65 0.01 0.00 0.04 0.00 0.00 32.58 33.19 2kg1 s HIS 318 CO -0.01 -0.95 0.16 0.42 -2.34 0.00 0.00 174.74 172.02 2kg1 s ILE 319 N -3.53 0.07 0.13 0.89 1.01 -1.26 -2.78 121.20 115.72 2kg1 s ILE 319 Ca 0.10 -0.55 -0.12 0.00 0.00 0.00 0.00 60.65 60.08 2kg1 s ILE 319 Cb -0.03 -0.41 0.01 0.00 0.01 0.00 0.00 42.46 42.04 2kg1 s ILE 319 CO 0.02 -0.30 0.32 -1.83 0.00 0.00 0.00 174.94 173.14 2kg1 s GLU 320 N -1.11 1.04 0.48 2.79 -1.05 0.11 -4.94 118.70 116.02 2kg1 s GLU 320 Ca -0.12 -0.91 0.00 0.00 -0.15 0.00 0.00 54.97 53.79 2kg1 s GLU 320 Cb -0.06 0.41 0.00 0.00 -0.44 0.00 0.00 34.13 34.04 2kg1 s GLU 320 CO 0.01 -0.38 0.00 -0.89 0.95 0.00 0.00 175.26 174.95 2kg1 n ILE 321 N -0.18 -4.04 0.00 1.83 5.41 -1.26 -2.22 119.36 118.90 2kg1 n ILE 321 Ca -0.13 1.88 0.00 0.00 1.00 0.00 0.00 62.75 65.50 2kg1 n ILE 321 Cb 0.63 -2.69 0.00 0.00 -0.71 0.00 0.00 39.64 36.87 2kg1 n ILE 321 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2kg1 n GLY 322 N -1.36 -2.11 0.00 7.39 0.00 -1.26 -2.42 105.19 105.43 2kg1 n GLY 322 Ca 0.00 0.67 0.02 0.00 0.00 0.00 0.00 46.02 46.71 2kg1 n GLY 322 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2kg1 n PRO 323 N -1.62 0.44 -0.07 1.61 -0.04 -1.26 -0.24 135.00 133.82 2kg1 n PRO 323 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2kg1 n PRO 323 Cb 0.00 -1.15 0.00 0.00 -0.04 0.00 0.00 33.50 32.31 2kg1 n PRO 323 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2kg1 n ASP 324 N -0.65 0.00 -0.92 3.54 5.75 -1.26 -4.85 116.55 118.17 2kg1 n ASP 324 Ca 0.03 -1.07 0.01 0.00 -0.01 0.00 0.00 54.79 53.75 2kg1 n ASP 324 Cb 0.01 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 2kg1 n ASP 324 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kg1 n GLY 325 N 0.00 0.73 3.50 6.12 0.00 -1.04 -5.02 105.19 109.49 2kg1 n GLY 325 Ca 0.00 -0.34 -0.19 0.00 0.00 0.00 0.00 46.02 45.49 2kg1 n GLY 325 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2kg1 n ARG 326 N 0.20 -1.37 -2.60 1.61 3.00 -1.07 -2.38 116.66 114.05 2kg1 n ARG 326 Ca 0.01 0.88 -0.08 0.00 -0.00 0.00 0.00 57.85 58.67 2kg1 n ARG 326 Cb 0.87 -4.16 -0.00 0.00 0.00 0.00 0.00 32.46 29.16 2kg1 n ARG 326 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 2kg1 n VAL 327 N -2.95 -0.29 -0.33 5.15 0.24 0.66 -4.82 118.33 115.99 2kg1 n VAL 327 Ca -0.13 0.00 0.24 0.00 -2.04 0.00 0.00 64.34 62.41 2kg1 n VAL 327 Cb 0.59 -0.80 0.52 0.00 -1.47 0.00 0.00 33.84 32.68 2kg1 n VAL 327 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kg1 h THR 328 N -0.09 0.50 -5.00 3.34 1.03 -1.66 -3.45 112.91 107.58 2kg1 h THR 328 Ca -0.16 -0.13 -0.29 0.00 -0.01 0.00 0.00 66.41 65.82 2kg1 h THR 328 Cb 1.11 0.10 -0.06 0.00 -1.07 0.00 0.00 68.15 68.23 2kg1 h THR 328 CO 0.19 0.07 -0.42 0.61 -0.01 0.00 0.00 175.52 175.96 2kg1 n GLY 329 N -1.48 -0.49 3.68 2.99 0.00 -1.02 -4.92 105.19 103.96 2kg1 n GLY 329 Ca 0.26 0.05 -0.29 0.00 0.00 0.00 0.00 46.02 46.04 2kg1 n GLY 329 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2kg1 s GLU 330 N -5.63 0.23 0.16 1.61 -1.05 -0.94 -4.75 118.70 108.31 2kg1 s GLU 330 Ca 0.25 0.36 -0.04 0.00 -0.15 0.00 0.00 54.97 55.38 2kg1 s GLU 330 Cb -0.13 -1.73 -0.03 0.00 -0.44 0.00 0.00 34.13 31.80 2kg1 s GLU 330 CO 0.30 -2.83 0.17 0.00 0.95 0.00 0.00 175.26 173.85 2kg1 s ALA 331 N -3.04 0.55 0.10 -0.84 0.00 -1.13 -0.71 121.76 116.68 2kg1 s ALA 331 Ca 0.66 -1.27 -0.04 0.00 0.00 0.00 0.00 51.96 51.31 2kg1 s ALA 331 Cb -0.17 0.95 -0.02 0.00 0.00 0.00 0.00 23.12 23.88 2kg1 s ALA 331 CO 0.57 -0.58 0.10 0.16 0.00 0.00 0.00 175.76 176.01 2kg1 s ASP 332 N -3.03 0.27 0.25 0.00 -4.77 -1.12 -2.32 116.67 105.94 2kg1 s ASP 332 Ca 0.24 -0.92 0.01 0.00 -3.30 0.00 0.00 52.55 48.57 2kg1 s ASP 332 Cb 0.05 0.30 -0.04 0.00 -1.09 0.00 0.00 42.92 42.14 2kg1 s ASP 332 CO 0.03 -0.71 0.13 0.68 0.70 0.00 0.00 175.17 176.00 2kg1 s VAL 333 N -3.94 0.25 0.13 2.11 -7.23 -0.23 -1.45 120.40 110.04 2kg1 s VAL 333 Ca 0.12 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.29 2kg1 s VAL 333 Cb 0.06 -2.55 -0.04 0.00 0.56 0.00 0.00 36.38 34.41 2kg1 s VAL 333 CO -0.06 0.00 0.01 -1.61 -0.31 0.00 0.00 175.10 173.13 2kg1 s GLU 334 N -4.02 0.95 0.00 4.82 2.02 -1.26 -2.40 118.70 118.81 2kg1 s GLU 334 Ca 0.38 -1.44 -0.11 0.00 0.02 0.00 0.00 54.97 53.82 2kg1 s GLU 334 Cb 0.07 -0.00 0.01 0.00 0.10 0.00 0.00 34.13 34.31 2kg1 s GLU 334 CO 0.14 -0.17 0.22 -0.06 0.02 0.00 0.00 175.26 175.42 2kg1 s PHE 335 N -3.84 -0.05 -0.51 1.61 0.08 0.95 -4.08 117.98 112.13 2kg1 s PHE 335 Ca 0.21 0.01 -0.27 0.00 0.12 0.00 0.00 56.93 56.99 2kg1 s PHE 335 Cb 0.07 0.02 0.03 0.00 -0.57 0.00 0.00 43.02 42.57 2kg1 s PHE 335 CO 0.00 -0.36 1.07 0.00 -0.10 0.00 0.00 175.22 175.84 2kg1 s ALA 336 N -1.59 3.13 0.53 5.36 0.00 -1.26 -3.22 121.76 124.72 2kg1 s ALA 336 Ca -0.12 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.07 2kg1 s ALA 336 Cb -0.05 -3.85 0.00 0.00 0.00 0.00 0.00 23.12 19.22 2kg1 s ALA 336 CO 0.02 -2.34 0.00 0.25 0.00 0.00 0.00 175.76 173.68 2kg1 n THR 337 N 6.60 -0.89 0.35 0.00 -2.24 -1.26 -3.37 114.28 113.48 2kg1 n THR 337 Ca 0.08 0.84 0.12 0.00 -2.27 0.00 0.00 64.05 62.81 2kg1 n THR 337 Cb 0.49 -1.26 0.51 0.00 -2.10 0.00 0.00 70.33 67.96 2kg1 n THR 337 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 2kg1 n HIS 338 N -3.92 0.80 -0.08 4.78 -0.00 -1.26 -2.74 115.22 112.80 2kg1 n HIS 338 Ca -0.08 0.33 -0.15 0.00 0.46 0.00 0.00 57.72 58.28 2kg1 n HIS 338 Cb 0.58 -1.03 -0.05 0.00 -0.12 0.00 0.00 29.99 29.36 2kg1 n HIS 338 CO 0.00 0.00 0.00 0.93 0.46 0.00 0.00 176.34 177.73 2kg1 h GLU 339 N 0.00 0.84 0.00 1.57 5.08 -1.98 -0.40 114.58 119.69 2kg1 h GLU 339 Ca 0.00 -0.54 -0.07 0.00 -1.00 0.00 0.00 59.36 57.74 2kg1 h GLU 339 Cb 0.30 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 2kg1 h GLU 339 CO 0.00 1.17 -0.34 0.93 -1.00 0.00 0.00 179.01 179.77 2kg1 h GLU 340 N 0.62 0.00 -0.39 2.33 5.08 -1.52 -2.08 114.58 118.61 2kg1 h GLU 340 Ca 0.01 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.23 2kg1 h GLU 340 Cb 1.15 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 2kg1 h GLU 340 CO 0.12 0.34 -0.30 0.00 -1.00 0.00 0.00 179.01 178.18 2kg1 h ALA 341 N 1.66 0.56 0.00 3.43 0.00 -1.31 -2.17 119.26 121.42 2kg1 h ALA 341 Ca -0.00 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.43 2kg1 h ALA 341 Cb 0.94 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2kg1 h ALA 341 CO 0.04 0.60 -0.29 -0.39 0.00 0.00 0.00 179.25 179.22 2kg1 h VAL 342 N 0.70 0.50 0.00 0.00 -1.51 -1.09 -2.32 116.25 112.53 2kg1 h VAL 342 Ca 0.07 -1.67 0.00 0.00 -1.23 0.00 0.00 66.70 63.88 2kg1 h VAL 342 Cb 0.88 2.21 0.00 0.00 -2.13 0.00 0.00 31.29 32.25 2kg1 h VAL 342 CO 0.08 0.28 0.00 0.00 -1.23 0.00 0.00 177.57 176.70 2kg1 h ALA 343 N 1.71 1.00 0.00 5.19 0.00 -1.24 -2.46 119.26 123.46 2kg1 h ALA 343 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2kg1 h ALA 343 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2kg1 h ALA 343 CO 0.04 0.00 -1.18 0.00 0.00 0.00 0.00 179.25 178.10 2kg1 n ALA 344 N -2.01 3.23 -2.16 0.00 0.00 -0.83 -4.64 120.51 114.10 2kg1 n ALA 344 Ca 0.01 -0.41 -0.38 0.00 0.00 0.00 0.00 53.44 52.67 2kg1 n ALA 344 Cb 0.30 -0.95 -0.03 0.00 0.00 0.00 0.00 19.45 18.77 2kg1 n ALA 344 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 2kg1 n MET 345 N -2.10 2.44 -0.19 0.00 0.00 -0.90 -4.11 117.12 112.26 2kg1 n MET 345 Ca 0.01 -2.78 0.00 0.00 0.00 0.00 0.00 57.70 54.92 2kg1 n MET 345 Cb 0.47 -3.50 0.00 0.00 0.00 0.00 0.00 33.22 30.19 2kg1 n MET 345 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 2kg1 n SER 346 N 10.10 0.00 -0.64 6.12 3.41 -1.26 -4.91 113.62 126.44 2kg1 n SER 346 Ca 0.48 -1.25 0.04 0.00 -0.26 0.00 0.00 58.87 57.88 2kg1 n SER 346 Cb 0.45 -0.05 0.07 0.00 -0.26 0.00 0.00 64.21 64.42 2kg1 n SER 346 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2kg1 n LYS 347 N 0.00 0.57 -1.35 4.33 4.76 -1.26 -5.00 118.16 120.21 2kg1 n LYS 347 Ca 0.00 -1.98 -0.50 0.00 -2.87 0.00 0.00 58.31 52.96 2kg1 n LYS 347 Cb 0.55 -0.81 -0.13 0.00 -1.84 0.00 0.00 35.03 32.80 2kg1 n LYS 347 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2kg1 n ASP 348 N -0.42 0.52 -3.90 4.39 2.03 -1.26 -0.54 116.55 117.37 2kg1 n ASP 348 Ca 0.08 0.43 -0.31 0.00 0.52 0.00 0.00 54.79 55.51 2kg1 n ASP 348 Cb 0.79 -0.89 -0.07 0.00 -0.72 0.00 0.00 41.12 40.22 2kg1 n ASP 348 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 2kg1 n ARG 349 N 7.86 -0.83 0.00 -0.67 1.85 -1.25 -4.94 116.66 118.68 2kg1 n ARG 349 Ca 0.59 0.10 0.00 0.00 -1.00 0.00 0.00 57.85 57.54 2kg1 n ARG 349 Cb -0.01 -3.40 0.00 0.00 -1.05 0.00 0.00 32.46 28.00 2kg1 n ARG 349 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2kg1 n ALA 350 N -3.45 0.00 -2.35 2.89 0.00 0.30 -4.50 120.51 113.40 2kg1 n ALA 350 Ca -0.02 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.22 2kg1 n ALA 350 Cb 0.41 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.78 2kg1 n ALA 350 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2kg1 s ASN 351 N -1.48 1.82 0.00 0.00 0.01 -1.26 -0.22 114.94 113.81 2kg1 s ASN 351 Ca 0.00 -1.66 0.00 0.00 -0.71 0.00 0.00 52.86 50.49 2kg1 s ASN 351 Cb 0.00 0.49 0.00 0.00 0.41 0.00 0.00 41.25 42.15 2kg1 s ASN 351 CO 0.00 -0.97 0.00 0.80 -1.51 0.00 0.00 177.10 175.42 2kg1 n MET 352 N -0.66 0.00 0.00 -0.60 0.00 -1.23 -4.74 117.12 109.89 2kg1 n MET 352 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.72 2kg1 n MET 352 Cb 0.64 -0.28 0.00 0.00 0.00 0.00 0.00 33.22 33.58 2kg1 n MET 352 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2kg1 n GLN 353 N -1.36 0.00 0.00 2.12 10.64 -1.26 -5.02 117.38 122.50 2kg1 n GLN 353 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 2kg1 n GLN 353 Cb 0.00 -0.03 0.00 0.00 -0.86 0.00 0.00 30.24 29.35 2kg1 n GLN 353 CO 0.00 0.00 0.00 -2.39 -1.83 0.00 0.00 177.06 172.84 2kg1 n HIS 354 N -2.28 0.00 -3.95 2.61 1.44 -1.26 -5.13 115.22 106.65 2kg1 n HIS 354 Ca 0.00 0.00 -0.08 0.00 -2.01 0.00 0.00 57.72 55.63 2kg1 n HIS 354 Cb 0.00 0.04 -0.04 0.00 0.12 0.00 0.00 29.99 30.11 2kg1 n HIS 354 CO 0.00 0.00 0.00 -0.98 -2.81 0.00 0.00 176.34 172.55 2kg1 s ARG 355 N 0.00 1.64 0.69 -1.40 1.70 -1.26 -5.16 118.95 115.15 2kg1 s ARG 355 Ca 0.00 -1.16 -0.12 0.00 -0.47 0.00 0.00 55.73 53.98 2kg1 s ARG 355 Cb 0.00 0.52 0.01 0.00 -0.57 0.00 0.00 34.95 34.91 2kg1 s ARG 355 CO 0.00 -0.71 1.07 1.52 -1.08 0.00 0.00 175.30 176.10 2kg1 s TYR 356 N -3.97 2.90 0.03 5.89 -0.85 -1.26 -3.53 117.35 116.55 2kg1 s TYR 356 Ca 0.18 1.49 -0.02 0.00 -0.52 0.00 0.00 57.07 58.20 2kg1 s TYR 356 Cb -0.03 -2.98 -0.02 0.00 0.38 0.00 0.00 41.96 39.32 2kg1 s TYR 356 CO 0.08 -1.40 0.02 0.42 -1.52 0.00 0.00 175.55 173.15 2kg1 s ILE 357 N -2.82 0.13 0.03 -3.49 -1.09 0.69 -4.80 121.20 109.86 2kg1 s ILE 357 Ca 0.61 -1.11 -0.07 0.00 -2.23 0.00 0.00 60.65 57.85 2kg1 s ILE 357 Cb -0.16 -0.69 -0.00 0.00 -1.58 0.00 0.00 42.46 40.02 2kg1 s ILE 357 CO 0.50 -0.61 0.14 -1.83 -1.23 0.00 0.00 174.94 171.91 2kg1 s GLU 358 N -2.24 0.61 -0.10 2.79 4.04 -0.67 -1.15 118.70 121.98 2kg1 s GLU 358 Ca -0.08 -0.65 -0.14 0.00 0.04 0.00 0.00 54.97 54.14 2kg1 s GLU 358 Cb -0.04 0.25 0.03 0.00 0.02 0.00 0.00 34.13 34.39 2kg1 s GLU 358 CO -0.03 -0.16 0.35 -0.48 -1.84 0.00 0.00 175.26 173.10 2kg1 s LEU 359 N -2.00 0.66 -0.05 1.83 -0.00 -1.26 -1.16 118.68 116.69 2kg1 s LEU 359 Ca -0.06 0.54 -0.00 0.00 -0.00 0.00 0.00 54.13 54.60 2kg1 s LEU 359 Cb -0.02 1.28 0.03 0.00 -0.00 0.00 0.00 46.19 47.48 2kg1 s LEU 359 CO -0.03 -0.23 -0.01 0.12 -0.00 0.00 0.00 176.35 176.19 2kg1 s PHE 360 N -0.29 0.60 0.49 3.48 2.19 0.17 -4.60 117.98 120.02 2kg1 s PHE 360 Ca -0.04 -0.13 -0.23 0.00 0.33 0.00 0.00 56.93 56.85 2kg1 s PHE 360 Cb -0.03 -0.65 -0.07 0.00 -1.31 0.00 0.00 43.02 40.96 2kg1 s PHE 360 CO 0.02 -0.23 1.28 -0.11 1.83 0.00 0.00 175.22 178.01 2kg1 n LEU 361 N 4.50 4.63 -2.76 6.12 0.00 -1.26 -2.20 117.00 126.03 2kg1 n LEU 361 Ca -0.18 1.02 -0.10 0.00 0.00 0.00 0.00 56.01 56.75 2kg1 n LEU 361 Cb 0.50 -1.52 0.05 0.00 0.00 0.00 0.00 43.42 42.45 2kg1 n LEU 361 CO 0.18 -0.74 0.04 -3.20 0.00 0.00 0.00 177.39 173.67 2kg1 n ASN 362 N -0.40 0.28 -3.68 1.96 5.15 -0.73 -4.84 115.26 113.00 2kg1 n ASN 362 Ca 0.09 -2.77 -0.10 0.00 -0.60 0.00 0.00 54.58 51.20 2kg1 n ASN 362 Cb 0.43 -0.00 -0.04 0.00 -0.53 0.00 0.00 39.78 39.63 2kg1 n ASN 362 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 2kg1 s SER 363 N -2.43 -0.24 0.00 1.20 0.15 -1.17 -3.06 113.70 108.15 2kg1 s SER 363 Ca 0.28 -0.40 0.02 0.00 0.70 0.00 0.00 55.95 56.55 2kg1 s SER 363 Cb 0.42 0.51 0.04 0.00 -1.71 0.00 0.00 66.02 65.28 2kg1 s SER 363 CO -0.02 -0.93 0.79 1.07 1.20 0.00 0.00 173.24 175.36 2kg1 n THR 364 N -0.27 0.00 -2.18 6.45 5.66 -1.26 -5.01 114.28 117.67 2kg1 n THR 364 Ca -0.13 -0.09 -0.09 0.00 -3.05 0.00 0.00 64.05 60.68 2kg1 n THR 364 Cb 0.63 0.32 -0.01 0.00 -1.55 0.00 0.00 70.33 69.72 2kg1 n THR 364 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 2kg1 n THR 365 N 0.04 -0.34 0.51 1.09 5.66 -1.26 -4.81 114.28 115.18 2kg1 n THR 365 Ca -0.10 0.00 0.06 0.00 -3.05 0.00 0.00 64.05 60.96 2kg1 n THR 365 Cb 0.65 -1.22 0.02 0.00 -1.55 0.00 0.00 70.33 68.23 2kg1 n THR 365 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2kg1 n GLY 366 N -0.60 -0.16 3.50 1.09 0.00 -1.26 -5.03 105.19 102.72 2kg1 n GLY 366 Ca -0.11 -0.34 -0.11 0.00 0.00 0.00 0.00 46.02 45.47 2kg1 n GLY 366 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kg1 s ALA 367 N -1.31 -1.59 0.00 4.61 0.00 -1.26 -5.06 121.76 117.14 2kg1 s ALA 367 Ca 0.11 0.47 0.00 0.00 0.00 0.00 0.00 51.96 52.54 2kg1 s ALA 367 Cb 0.10 0.80 0.00 0.00 0.00 0.00 0.00 23.12 24.02 2kg1 s ALA 367 CO 0.24 -0.80 0.00 -1.13 0.00 0.00 0.00 175.76 174.07 2kg1 n SER 368 N -0.37 0.00 -3.83 0.00 3.41 -1.17 -4.58 113.62 107.08 2kg1 n SER 368 Ca -0.14 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.38 2kg1 n SER 368 Cb 0.64 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.55 2kg1 n SER 368 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2kg1 s ASN 369 N 0.00 -0.05 0.00 4.04 4.22 -1.26 -3.20 114.94 118.69 2kg1 s ASN 369 Ca 0.00 -0.90 0.00 0.00 -2.14 0.00 0.00 52.86 49.82 2kg1 s ASN 369 Cb 0.00 0.65 0.00 0.00 1.28 0.00 0.00 41.25 43.18 2kg1 s ASN 369 CO 0.00 -1.25 0.00 0.61 -2.04 0.00 0.00 177.10 174.42 2kg1 n GLY 370 N -0.43 0.18 0.00 0.45 0.00 -1.26 -4.94 105.19 99.19 2kg1 n GLY 370 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2kg1 n GLY 370 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kg1 n ALA 371 N 0.00 0.00 -3.79 4.61 0.00 -1.26 -5.14 120.51 114.93 2kg1 n ALA 371 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 2kg1 n ALA 371 Cb 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.51 2kg1 n ALA 371 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2kg1 s TYR 372 N 0.00 -0.09 0.05 0.00 5.04 -1.26 -5.16 117.35 115.93 2kg1 s TYR 372 Ca 0.00 -0.39 -0.11 0.00 -2.44 0.00 0.00 57.07 54.13 2kg1 s TYR 372 Cb 0.00 0.68 0.01 0.00 0.35 0.00 0.00 41.96 43.00 2kg1 s TYR 372 CO 0.00 -1.27 0.23 0.45 -1.34 0.00 0.00 175.55 173.62 2kg1 s SER 373 N -2.95 0.00 0.00 4.32 0.15 -1.26 -4.97 113.70 108.99 2kg1 s SER 373 Ca 0.13 -0.37 0.31 0.00 0.70 0.00 0.00 55.95 56.72 2kg1 s SER 373 Cb -0.05 0.32 1.73 0.00 -1.71 0.00 0.00 66.02 66.30 2kg1 s SER 373 CO 0.08 -0.61 2.15 -1.54 1.20 0.00 0.00 173.24 174.52 2kg1 n SER 374 N 0.50 0.00 -3.39 5.45 3.41 -1.26 -4.72 113.62 113.62 2kg1 n SER 374 Ca -0.18 -0.60 -0.12 0.00 -0.26 0.00 0.00 58.87 57.71 2kg1 n SER 374 Cb 0.60 -0.13 -0.03 0.00 -0.26 0.00 0.00 64.21 64.39 2kg1 n SER 374 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 2kg1 s GLN 375 N -2.27 1.89 -0.47 4.33 2.00 -1.26 -4.83 119.66 119.05 2kg1 s GLN 375 Ca 0.39 -1.53 0.00 0.00 -2.00 0.00 0.00 55.36 52.22 2kg1 s GLN 375 Cb 0.21 0.50 0.00 0.00 0.80 0.00 0.00 33.01 34.52 2kg1 s GLN 375 CO 0.41 -0.81 0.00 1.55 -0.50 0.00 0.00 175.29 175.94 2kg1 n VAL 376 N -0.50 -0.14 -1.50 1.34 3.14 -1.26 -4.57 118.33 114.84 2kg1 n VAL 376 Ca -0.02 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.36 2kg1 n VAL 376 Cb 0.61 -0.61 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 2kg1 n VAL 376 CO 0.00 0.00 0.00 0.80 -6.46 0.00 0.00 176.83 171.17 2kg1 n MET 377 N -2.06 0.00 0.13 1.45 0.00 -1.26 -4.90 117.12 110.47 2kg1 n MET 377 Ca -0.06 -0.23 0.10 0.00 -0.00 0.00 0.00 57.70 57.52 2kg1 n MET 377 Cb 0.38 -0.25 0.48 0.00 0.00 0.00 0.00 33.22 33.83 2kg1 n MET 377 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 175.97 176.91 2kg1 n GLN 378 N 0.00 0.15 -3.96 2.12 -0.06 -1.26 -4.86 117.38 109.50 2kg1 n GLN 378 Ca 0.00 0.50 0.04 0.00 -2.00 0.00 0.00 57.00 55.54 2kg1 n GLN 378 Cb 0.48 -1.86 0.01 0.00 -4.06 0.00 0.00 30.24 24.81 2kg1 n GLN 378 CO 0.00 0.00 0.00 0.20 -0.20 0.00 0.00 177.06 177.06 2kg1 s GLY 379 N -3.48 -0.21 0.10 1.69 0.00 -1.26 -5.19 107.32 98.97 2kg1 s GLY 379 Ca 0.01 0.20 -0.17 0.00 0.00 0.00 0.00 44.72 44.76 2kg1 s GLY 379 CO 0.28 5.57 0.41 -0.29 0.00 0.00 0.00 173.10 179.06 2kg1 s MET 380 N -2.03 1.03 0.00 2.90 1.75 -1.26 -5.07 119.30 116.61 2kg1 s MET 380 Ca 0.29 -0.58 0.00 0.00 -1.25 0.00 0.00 55.69 54.15 2kg1 s MET 380 Cb 0.01 0.45 0.00 0.00 2.84 0.00 0.00 34.83 38.13 2kg1 s MET 380 CO -0.02 -0.39 0.00 0.41 -0.65 0.00 0.00 175.02 174.37