#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k90 s ILE 293 N 0.00 1.15 -0.84 5.15 -4.36 -1.26 -5.06 121.20 115.97 1k90 s ILE 293 Ca 0.00 -0.43 -0.23 0.00 -0.26 0.00 0.00 60.65 59.73 1k90 s ILE 293 Cb 0.00 -1.09 -0.18 0.00 1.25 0.00 0.00 42.46 42.43 1k90 s ILE 293 CO 0.00 0.37 2.24 -0.67 0.24 0.00 0.00 174.94 177.12 1k90 n ASP 294 N 4.32 1.05 -4.31 4.36 2.03 -1.26 -4.89 116.55 117.85 1k90 n ASP 294 Ca -0.18 -1.59 -0.21 0.00 0.52 0.00 0.00 54.79 53.32 1k90 n ASP 294 Cb 0.51 -1.47 -0.11 0.00 -0.72 0.00 0.00 41.12 39.32 1k90 n ASP 294 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1k90 s VAL 295 N 12.70 1.72 0.69 5.18 0.11 -1.26 -4.64 120.40 134.90 1k90 s VAL 295 Ca 0.91 -1.87 -0.11 0.00 -2.93 0.00 0.00 61.98 57.98 1k90 s VAL 295 Cb -0.20 -1.78 0.01 0.00 -1.53 0.00 0.00 36.38 32.88 1k90 s VAL 295 CO 0.17 -0.32 1.08 -0.76 -3.33 0.00 0.00 175.10 171.94 1k90 s LEU 296 N -2.60 2.95 0.08 2.54 1.43 -1.12 -4.93 118.68 117.04 1k90 s LEU 296 Ca 0.14 1.15 -0.15 0.00 -1.03 0.00 0.00 54.13 54.24 1k90 s LEU 296 Cb -0.06 -3.98 0.03 0.00 0.03 0.00 0.00 46.19 42.21 1k90 s LEU 296 CO 0.06 -1.28 0.36 -0.54 0.23 0.00 0.00 176.35 175.18 1k90 s LYS 297 N -5.33 0.96 2.63 1.70 1.02 -1.26 -2.46 119.74 116.99 1k90 s LYS 297 Ca 0.58 -0.60 0.00 0.00 0.02 0.00 0.00 55.97 55.97 1k90 s LYS 297 Cb -0.11 0.42 0.00 0.00 -0.52 0.00 0.00 37.83 37.62 1k90 s LYS 297 CO 0.52 -0.34 0.00 0.41 -0.92 0.00 0.00 175.35 175.01 1k90 n GLY 298 N 0.14 1.63 0.35 -3.33 0.00 -0.48 -2.92 105.19 100.59 1k90 n GLY 298 Ca -0.17 -0.44 0.03 0.00 0.00 0.00 0.00 46.02 45.44 1k90 n GLY 298 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1k90 n GLU 299 N 8.04 -0.15 -0.00 1.61 4.07 -1.26 0.65 120.64 133.61 1k90 n GLU 299 Ca 0.00 1.47 0.04 0.00 -0.06 0.00 0.00 57.16 58.61 1k90 n GLU 299 Cb 0.00 -2.19 0.42 0.00 -0.06 0.00 0.00 31.44 29.61 1k90 n GLU 299 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 1k90 h LYS 300 N 0.00 0.54 0.04 5.31 1.57 -1.97 -1.38 116.57 120.69 1k90 h LYS 300 Ca 0.40 -0.03 -0.23 0.00 -1.87 0.00 0.00 60.65 58.92 1k90 h LYS 300 Cb 0.64 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.82 1k90 h LYS 300 CO -0.96 0.36 -1.01 0.00 -0.57 0.00 0.00 179.45 177.27 1k90 h ALA 301 N 1.74 0.34 0.47 3.86 0.00 0.35 -3.24 119.26 122.78 1k90 h ALA 301 Ca 0.15 -0.78 -0.02 0.00 0.00 0.00 0.00 54.91 54.26 1k90 h ALA 301 Cb -0.06 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1k90 h ALA 301 CO -0.03 0.93 -0.22 1.25 0.00 0.00 0.00 179.25 181.17 1k90 h LEU 302 N 0.12 -0.53 -2.00 0.00 5.85 0.08 -2.13 115.31 116.70 1k90 h LEU 302 Ca -0.08 -0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.67 1k90 h LEU 302 Cb 1.68 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.84 1k90 h LEU 302 CO 0.16 -0.33 0.37 0.11 -0.34 0.00 0.00 178.44 178.41 1k90 h LYS 303 N -0.69 0.00 0.00 1.25 1.57 -1.37 0.31 116.57 117.63 1k90 h LYS 303 Ca -0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1k90 h LYS 303 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1k90 h LYS 303 CO 0.11 0.00 -0.93 0.00 -0.57 0.00 0.00 179.45 178.06 1k90 n ALA 304 N -2.07 3.36 0.14 3.86 0.00 -0.92 -4.16 120.51 120.72 1k90 n ALA 304 Ca 0.02 -0.38 -0.01 0.00 0.00 0.00 0.00 53.44 53.07 1k90 n ALA 304 Cb 0.47 -1.01 0.18 0.00 0.00 0.00 0.00 19.45 19.08 1k90 n ALA 304 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1k90 h SER 305 N 0.00 0.00 0.00 0.00 4.64 0.26 -3.46 113.55 114.99 1k90 h SER 305 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1k90 h SER 305 Cb 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 1k90 h SER 305 CO 0.00 0.60 0.00 0.61 -0.87 0.00 0.00 176.83 177.17 1k90 n GLY 306 N 0.25 1.99 3.80 -0.77 0.00 -1.23 -2.37 105.19 106.86 1k90 n GLY 306 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 1k90 n GLY 306 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k90 s LEU 307 N 0.00 3.95 0.03 0.99 1.02 -1.26 -4.42 118.68 118.99 1k90 s LEU 307 Ca 0.00 1.89 -0.30 0.00 0.02 0.00 0.00 54.13 55.74 1k90 s LEU 307 Cb 0.00 -4.46 -0.06 0.00 0.02 0.00 0.00 46.19 41.70 1k90 s LEU 307 CO 0.00 -0.59 1.32 -0.69 0.02 0.00 0.00 176.35 176.41 1k90 s VAL 308 N -1.94 3.79 0.13 -1.59 1.01 -1.26 -4.90 120.40 115.64 1k90 s VAL 308 Ca 0.63 1.22 -0.27 0.00 0.00 0.00 0.00 61.98 63.57 1k90 s VAL 308 Cb -0.16 -3.78 -0.07 0.00 0.00 0.00 0.00 36.38 32.37 1k90 s VAL 308 CO 0.20 0.04 1.46 -0.65 0.00 0.00 0.00 175.10 176.15 1k90 h PRO 309 N 7.36 -0.09 -0.89 2.72 0.11 -1.95 0.33 132.00 139.58 1k90 h PRO 309 Ca -0.39 0.01 0.15 0.00 0.11 0.00 0.00 66.00 65.88 1k90 h PRO 309 Cb 1.19 0.02 -0.07 0.00 0.11 0.00 0.00 31.00 32.25 1k90 h PRO 309 CO 0.87 -0.06 0.57 0.93 -0.21 0.00 0.00 178.00 180.11 1k90 h GLU 310 N -0.09 0.63 -0.37 1.05 3.07 -1.98 0.71 114.58 117.60 1k90 h GLU 310 Ca 0.12 -0.04 -0.04 0.00 -0.50 0.00 0.00 59.36 58.90 1k90 h GLU 310 Cb 0.39 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.15 1k90 h GLU 310 CO -0.72 0.42 0.07 0.45 -1.40 0.00 0.00 179.01 177.83 1k90 h HIS 311 N 0.65 0.64 -0.38 4.33 3.86 -1.37 -0.50 115.15 122.38 1k90 h HIS 311 Ca 0.45 -0.08 -0.03 0.00 -1.16 0.00 0.00 60.37 59.55 1k90 h HIS 311 Cb 0.78 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 29.06 1k90 h HIS 311 CO -0.00 0.64 0.14 0.00 0.86 0.00 0.00 177.93 179.57 1k90 h ALA 312 N 0.92 0.50 -0.83 2.45 0.00 -0.00 -0.15 119.26 122.14 1k90 h ALA 312 Ca 0.11 -0.15 0.13 0.00 0.00 0.00 0.00 54.91 55.00 1k90 h ALA 312 Cb 0.34 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 1k90 h ALA 312 CO 0.01 0.13 0.54 -0.44 0.00 0.00 0.00 179.25 179.49 1k90 h ASP 313 N 0.47 0.59 0.01 0.00 3.45 -0.69 0.71 116.42 120.97 1k90 h ASP 313 Ca 0.13 0.03 -0.18 0.00 0.43 0.00 0.00 57.03 57.43 1k90 h ASP 313 Cb 0.23 -0.09 -0.00 0.00 -0.56 0.00 0.00 39.33 38.91 1k90 h ASP 313 CO -0.01 0.31 -0.65 0.00 -1.57 0.00 0.00 179.24 177.33 1k90 h ALA 314 N 1.61 0.55 -0.06 3.45 0.00 -0.27 -3.10 119.26 121.45 1k90 h ALA 314 Ca 0.41 -0.56 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1k90 h ALA 314 Cb 0.68 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1k90 h ALA 314 CO -0.17 0.71 -0.16 0.74 0.00 0.00 0.00 179.25 180.37 1k90 h PHE 315 N 0.44 0.10 0.26 0.00 0.05 0.92 -2.96 116.94 115.74 1k90 h PHE 315 Ca -0.02 -0.01 0.01 0.00 3.82 0.00 0.00 57.97 61.77 1k90 h PHE 315 Cb 1.23 -0.03 -0.03 0.00 2.00 0.00 0.00 35.95 39.12 1k90 h PHE 315 CO 0.06 0.26 -0.42 0.87 -0.18 0.00 0.00 178.31 178.89 1k90 h LYS 316 N 0.09 -0.73 -0.71 1.51 1.57 -1.21 -0.38 116.57 116.70 1k90 h LYS 316 Ca 0.02 0.05 0.14 0.00 -1.87 0.00 0.00 60.65 58.98 1k90 h LYS 316 Cb 0.35 0.16 -0.13 0.00 0.08 0.00 0.00 32.23 32.69 1k90 h LYS 316 CO 0.02 -0.48 -0.24 0.87 -0.57 0.00 0.00 179.45 179.05 1k90 h LYS 317 N -0.75 -0.04 -0.83 3.15 6.56 -1.64 -0.52 116.57 122.49 1k90 h LYS 317 Ca -0.01 0.00 0.02 0.00 -1.06 0.00 0.00 60.65 59.61 1k90 h LYS 317 Cb 0.72 0.01 -0.05 0.00 -0.57 0.00 0.00 32.23 32.34 1k90 h LYS 317 CO -0.16 -0.03 0.54 0.82 -2.06 0.00 0.00 179.45 178.56 1k90 h ILE 318 N -0.05 1.16 -0.55 1.86 1.08 -1.38 0.33 117.51 119.97 1k90 h ILE 318 Ca 0.32 -0.37 -0.09 0.00 -0.39 0.00 0.00 64.86 64.33 1k90 h ILE 318 Cb 0.55 -0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 34.27 1k90 h ILE 318 CO -0.75 0.20 -0.01 0.00 -0.69 0.00 0.00 178.15 176.89 1k90 h ALA 319 N 1.33 0.74 0.56 1.87 0.00 0.34 -2.31 119.26 121.79 1k90 h ALA 319 Ca 0.32 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1k90 h ALA 319 Cb -0.04 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.55 1k90 h ALA 319 CO -0.10 0.58 -0.27 0.00 0.00 0.00 0.00 179.25 179.47 1k90 h ARG 320 N 0.86 -0.72 -1.26 0.00 3.08 -0.66 -2.27 114.38 113.40 1k90 h ARG 320 Ca 0.15 0.05 0.37 0.00 0.07 0.00 0.00 59.98 60.63 1k90 h ARG 320 Cb 0.56 0.16 -0.09 0.00 0.08 0.00 0.00 29.97 30.68 1k90 h ARG 320 CO 0.03 -0.41 0.85 1.49 -1.07 0.00 0.00 179.97 180.86 1k90 h GLU 321 N -1.02 0.15 -1.20 0.04 4.81 -0.34 -1.23 114.58 115.79 1k90 h GLU 321 Ca -0.08 -0.01 -0.52 0.00 -0.13 0.00 0.00 59.36 58.62 1k90 h GLU 321 Cb 0.64 -0.03 -0.42 0.00 0.63 0.00 0.00 28.75 29.57 1k90 h GLU 321 CO 0.13 0.10 -0.85 1.28 -0.73 0.00 0.00 179.01 178.94 1k90 n LEU 322 N -4.48 4.04 0.00 1.64 4.77 -0.87 -5.02 117.00 117.08 1k90 n LEU 322 Ca 0.31 -4.74 0.00 0.00 -0.03 0.00 0.00 56.01 51.55 1k90 n LEU 322 Cb 1.26 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 42.12 1k90 n LEU 322 CO 0.29 2.03 0.00 -3.20 -1.33 0.00 0.00 177.39 175.18 1k90 n ASN 323 N -0.47 0.00 -3.70 -1.43 4.05 -0.46 -4.68 115.26 108.56 1k90 n ASN 323 Ca 0.33 0.00 -0.11 0.00 0.45 0.00 0.00 54.58 55.25 1k90 n ASN 323 Cb 0.76 0.00 -0.10 0.00 1.23 0.00 0.00 39.78 41.67 1k90 n ASN 323 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 177.26 174.49 1k90 s THR 324 N 0.00 -0.02 0.15 -0.44 -1.32 -1.03 -1.76 115.64 111.22 1k90 s THR 324 Ca 0.00 0.06 -0.30 0.00 -1.21 0.00 0.00 61.69 60.24 1k90 s THR 324 Cb 0.00 -0.63 -0.07 0.00 -1.51 0.00 0.00 72.50 70.29 1k90 s THR 324 CO 0.00 0.03 1.20 -0.31 -2.21 0.00 0.00 174.62 173.32 1k90 s TYR 325 N 1.10 3.44 -0.29 9.09 1.51 0.19 -4.21 117.35 128.17 1k90 s TYR 325 Ca -0.07 1.38 -0.00 0.00 -1.01 0.00 0.00 57.07 57.37 1k90 s TYR 325 Cb -0.07 -3.43 0.06 0.00 -0.11 0.00 0.00 41.96 38.41 1k90 s TYR 325 CO -0.10 -1.23 -0.03 0.42 -1.11 0.00 0.00 175.55 173.51 1k90 s ILE 326 N 0.30 2.73 -0.26 2.71 1.01 -0.61 -1.23 121.20 125.84 1k90 s ILE 326 Ca 0.55 -1.51 -0.04 0.00 0.00 0.00 0.00 60.65 59.64 1k90 s ILE 326 Cb -0.32 -2.60 0.01 0.00 0.01 0.00 0.00 42.46 39.56 1k90 s ILE 326 CO 0.34 -0.12 -0.00 -0.76 0.00 0.00 0.00 174.94 174.40 1k90 s LEU 327 N 1.19 3.35 0.06 2.97 1.02 -0.54 -1.19 118.68 125.54 1k90 s LEU 327 Ca -0.05 -0.66 -0.05 0.00 0.02 0.00 0.00 54.13 53.39 1k90 s LEU 327 Cb -0.20 -1.77 -0.05 0.00 0.02 0.00 0.00 46.19 44.19 1k90 s LEU 327 CO -0.03 -0.12 0.29 -0.36 0.02 0.00 0.00 176.35 176.16 1k90 s PHE 328 N 1.44 3.53 0.93 0.29 0.40 0.12 0.14 117.98 124.84 1k90 s PHE 328 Ca 0.03 0.50 -0.13 0.00 -0.60 0.00 0.00 56.93 56.72 1k90 s PHE 328 Cb -0.16 -1.95 0.20 0.00 0.51 0.00 0.00 43.02 41.62 1k90 s PHE 328 CO -0.01 0.55 1.28 1.03 0.70 0.00 0.00 175.22 178.77 1k90 s ARG 329 N -2.18 0.70 0.62 0.44 0.52 0.15 -1.02 118.95 118.18 1k90 s ARG 329 Ca 0.33 -0.61 -0.18 0.00 -0.52 0.00 0.00 55.73 54.76 1k90 s ARG 329 Cb -0.13 -1.93 -0.02 0.00 0.52 0.00 0.00 34.95 33.39 1k90 s ARG 329 CO 0.21 -2.32 1.21 -2.14 0.02 0.00 0.00 175.30 172.29 1k90 s PRO 330 N -5.78 2.79 -0.11 3.54 0.02 -1.26 -4.69 135.00 129.51 1k90 s PRO 330 Ca 0.74 1.83 0.04 0.00 0.02 0.00 0.00 61.00 63.62 1k90 s PRO 330 Cb -0.03 -1.91 0.00 0.00 0.02 0.00 0.00 34.50 32.58 1k90 s PRO 330 CO 0.52 -1.35 -0.24 0.08 -0.33 0.00 0.00 177.00 175.68 1k90 s VAL 331 N -1.66 2.05 -0.33 3.83 1.01 -1.00 -4.75 120.40 119.56 1k90 s VAL 331 Ca 0.77 -1.01 -0.40 0.00 0.00 0.00 0.00 61.98 61.34 1k90 s VAL 331 Cb -0.31 -1.78 -0.15 0.00 0.00 0.00 0.00 36.38 34.14 1k90 s VAL 331 CO 0.36 0.56 1.86 -3.20 0.00 0.00 0.00 175.10 174.68 1k90 n ASN 332 N 3.61 2.14 -0.29 3.32 2.85 -1.26 -4.30 115.26 121.34 1k90 n ASN 332 Ca -0.19 0.92 -0.04 0.00 -0.11 0.00 0.00 54.58 55.16 1k90 n ASN 332 Cb 0.53 -1.13 0.08 0.00 1.24 0.00 0.00 39.78 40.49 1k90 n ASN 332 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 1k90 h LYS 333 N 8.30 1.01 -0.36 1.20 1.79 -1.94 -0.78 116.57 125.80 1k90 h LYS 333 Ca -0.39 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.02 1k90 h LYS 333 Cb 1.33 -0.23 0.00 0.00 -1.58 0.00 0.00 32.23 31.75 1k90 h LYS 333 CO 0.99 0.67 0.00 1.28 -1.08 0.00 0.00 179.45 181.31 1k90 n LEU 334 N -4.55 0.36 -0.00 2.94 4.77 -1.26 -1.86 117.00 117.39 1k90 n LEU 334 Ca 0.08 -0.18 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 1k90 n LEU 334 Cb 0.04 -0.18 -0.01 0.00 -2.33 0.00 0.00 43.42 40.94 1k90 n LEU 334 CO 0.35 0.09 -0.52 0.00 -1.33 0.00 0.00 177.39 175.99 1k90 n ALA 335 N -0.11 2.03 -0.17 -1.18 0.00 -0.31 -3.48 120.51 117.29 1k90 n ALA 335 Ca 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 53.44 53.39 1k90 n ALA 335 Cb 0.09 0.01 0.06 0.00 0.00 0.00 0.00 19.45 19.61 1k90 n ALA 335 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1k90 h THR 336 N 0.00 0.53 -0.34 0.00 2.02 -1.25 0.49 112.91 114.36 1k90 h THR 336 Ca -0.01 -0.02 -0.05 0.00 0.77 0.00 0.00 66.41 67.11 1k90 h THR 336 Cb 0.25 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 1k90 h THR 336 CO 0.00 0.01 0.02 0.78 0.37 0.00 0.00 175.52 176.71 1k90 h ASN 337 N 0.06 0.56 -0.45 4.18 -0.26 -1.86 0.24 115.58 118.05 1k90 h ASN 337 Ca 0.26 -0.29 0.09 0.00 -0.56 0.00 0.00 56.30 55.81 1k90 h ASN 337 Cb 0.41 -0.15 -0.09 0.00 -1.06 0.00 0.00 38.32 37.43 1k90 h ASN 337 CO -0.49 0.71 -0.16 -0.07 -1.06 0.00 0.00 177.43 176.36 1k90 h LEU 338 N 0.39 -0.56 0.69 1.61 3.38 -1.41 1.49 115.31 120.90 1k90 h LEU 338 Ca 0.10 0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.19 1k90 h LEU 338 Cb 0.41 0.33 0.01 0.00 0.09 0.00 0.00 40.66 41.50 1k90 h LEU 338 CO 0.01 -0.20 -0.34 0.40 0.09 0.00 0.00 178.44 178.40 1k90 h ILE 339 N -0.06 0.30 -0.62 1.22 2.04 0.30 -1.61 117.51 119.08 1k90 h ILE 339 Ca 0.22 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.20 1k90 h ILE 339 Cb 0.39 0.30 -0.10 0.00 -0.74 0.00 0.00 36.82 36.67 1k90 h ILE 339 CO -0.49 0.00 0.03 0.50 0.00 0.00 0.00 178.15 178.18 1k90 h LYS 340 N -0.94 0.14 -1.11 2.37 3.64 0.33 0.46 116.57 121.46 1k90 h LYS 340 Ca -0.09 -0.01 0.31 0.00 -1.27 0.00 0.00 60.65 59.59 1k90 h LYS 340 Cb 0.73 -0.03 -0.10 0.00 -0.41 0.00 0.00 32.23 32.41 1k90 h LYS 340 CO 0.15 0.09 0.71 1.03 -2.27 0.00 0.00 179.45 179.16 1k90 h SER 341 N 0.14 0.39 0.00 4.20 0.87 0.26 -3.45 113.55 115.96 1k90 h SER 341 Ca 0.33 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.99 1k90 h SER 341 Cb 0.53 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 1k90 h SER 341 CO -0.51 0.01 0.00 0.61 -0.53 0.00 0.00 176.83 176.41 1k90 n GLY 342 N -1.48 1.43 3.77 5.77 0.00 0.16 -4.93 105.19 109.91 1k90 n GLY 342 Ca 0.28 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.90 1k90 n GLY 342 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k90 s VAL 343 N -2.00 2.75 0.67 1.61 1.01 -0.66 -3.11 120.40 120.66 1k90 s VAL 343 Ca 0.00 0.75 -0.17 0.00 0.00 0.00 0.00 61.98 62.57 1k90 s VAL 343 Cb 0.00 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.91 1k90 s VAL 343 CO 0.00 0.18 1.21 0.00 0.00 0.00 0.00 175.10 176.48 1k90 s ALA 344 N -1.15 2.33 0.43 5.51 0.00 -1.26 -4.59 121.76 123.03 1k90 s ALA 344 Ca 0.49 0.92 0.08 0.00 0.00 0.00 0.00 51.96 53.45 1k90 s ALA 344 Cb -0.39 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.28 1k90 s ALA 344 CO 0.52 -1.53 0.51 0.95 0.00 0.00 0.00 175.76 176.21 1k90 s THR 345 N -1.83 2.82 -0.08 0.00 -4.23 -1.26 -1.42 115.64 109.64 1k90 s THR 345 Ca 0.75 -1.12 -0.02 0.00 -1.18 0.00 0.00 61.69 60.12 1k90 s THR 345 Cb -0.29 -2.95 -0.03 0.00 1.34 0.00 0.00 72.50 70.56 1k90 s THR 345 CO 0.40 0.00 0.01 -1.59 -0.54 0.00 0.00 174.62 172.90 1k90 s LYS 346 N -4.29 2.99 0.00 3.99 -2.85 -0.90 -4.75 119.74 113.93 1k90 s LYS 346 Ca 0.53 -0.41 0.00 0.00 -1.00 0.00 0.00 55.97 55.09 1k90 s LYS 346 Cb -0.07 -2.81 0.00 0.00 -2.06 0.00 0.00 37.83 32.89 1k90 s LYS 346 CO 0.31 0.70 0.00 0.41 0.10 0.00 0.00 175.35 176.87 1k90 n GLY 347 N 2.05 0.74 0.00 0.59 0.00 -1.26 -4.60 105.19 102.71 1k90 n GLY 347 Ca -0.18 -1.89 0.12 0.00 0.00 0.00 0.00 46.02 44.08 1k90 n GLY 347 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1k90 n LEU 348 N 0.00 0.00 0.00 0.99 4.77 -1.26 -2.77 117.00 118.73 1k90 n LEU 348 Ca 0.00 0.40 0.14 0.00 -0.03 0.00 0.00 56.01 56.52 1k90 n LEU 348 Cb 0.00 -0.40 0.82 0.00 -2.33 0.00 0.00 43.42 41.51 1k90 n LEU 348 CO 0.00 -0.06 1.02 -0.46 -1.33 0.00 0.00 177.39 176.57 1k90 n ASN 349 N -1.40 0.00 -3.68 -1.43 2.04 -1.26 -4.33 115.26 105.21 1k90 n ASN 349 Ca 0.09 -0.63 -0.30 0.00 -0.44 0.00 0.00 54.58 53.31 1k90 n ASN 349 Cb 0.25 -0.11 -0.14 0.00 -2.53 0.00 0.00 39.78 37.26 1k90 n ASN 349 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 1k90 s VAL 350 N -2.21 1.01 -2.20 3.53 1.01 -1.11 -4.60 120.40 115.82 1k90 s VAL 350 Ca 0.38 -2.01 0.20 0.00 0.00 0.00 0.00 61.98 60.55 1k90 s VAL 350 Cb 0.20 -1.73 0.47 0.00 0.00 0.00 0.00 36.38 35.32 1k90 s VAL 350 CO 0.38 -0.83 1.58 1.41 0.00 0.00 0.00 175.10 177.63 1k90 n HIS 351 N 4.09 0.16 -1.90 5.22 8.25 -1.26 -4.76 115.22 125.01 1k90 n HIS 351 Ca 0.05 -0.08 -0.41 0.00 -0.26 0.00 0.00 57.72 57.02 1k90 n HIS 351 Cb 0.37 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.47 1k90 n HIS 351 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1k90 s GLY 352 N -1.56 2.60 0.45 -1.41 0.00 -1.26 -4.94 107.32 101.19 1k90 s GLY 352 Ca 0.31 1.46 -0.21 0.00 0.00 0.00 0.00 44.72 46.28 1k90 s GLY 352 CO 0.25 2.27 0.98 0.54 0.00 0.00 0.00 173.10 177.14 1k90 s LYS 353 N -1.23 4.09 0.52 2.90 -0.14 -1.26 -4.98 119.74 119.64 1k90 s LYS 353 Ca 0.56 1.20 -0.17 0.00 -1.36 0.00 0.00 55.97 56.20 1k90 s LYS 353 Cb -0.44 -2.15 -0.08 0.00 -1.68 0.00 0.00 37.83 33.48 1k90 s LYS 353 CO 0.53 -0.16 0.99 -1.54 -0.76 0.00 0.00 175.35 174.41 1k90 s SER 354 N -2.12 6.54 0.18 2.83 1.04 -1.26 -4.36 113.70 116.55 1k90 s SER 354 Ca 0.64 1.62 -0.13 0.00 0.48 0.00 0.00 55.95 58.56 1k90 s SER 354 Cb -0.11 -2.52 -0.07 0.00 0.10 0.00 0.00 66.02 63.42 1k90 s SER 354 CO 0.15 -0.64 0.56 -0.55 0.98 0.00 0.00 173.24 173.74 1k90 s SER 355 N -2.91 6.77 -0.08 7.02 0.15 -0.28 -2.29 113.70 122.07 1k90 s SER 355 Ca 0.60 1.05 0.13 0.00 0.70 0.00 0.00 55.95 58.43 1k90 s SER 355 Cb -0.11 -2.28 0.25 0.00 -1.71 0.00 0.00 66.02 62.18 1k90 s SER 355 CO 0.30 0.03 1.12 -0.90 1.20 0.00 0.00 173.24 175.00 1k90 n ASP 356 N 0.47 1.29 -3.86 5.45 3.85 -1.26 0.26 116.55 122.75 1k90 n ASP 356 Ca -0.03 -2.74 -0.07 0.00 -0.71 0.00 0.00 54.79 51.24 1k90 n ASP 356 Cb 0.52 -0.36 -0.02 0.00 -1.35 0.00 0.00 41.12 39.91 1k90 n ASP 356 CO 0.00 0.00 0.00 -1.66 -1.01 0.00 0.00 177.20 174.53 1k90 s TRP 357 N -1.59 -0.16 0.39 2.11 1.48 -1.26 -4.95 118.94 114.96 1k90 s TRP 357 Ca 0.24 -0.30 0.00 0.00 -1.06 0.00 0.00 56.10 54.98 1k90 s TRP 357 Cb 0.23 0.69 0.00 0.00 -1.16 0.00 0.00 33.47 33.23 1k90 s TRP 357 CO -0.03 -1.23 0.00 0.41 -4.06 0.00 0.00 176.95 172.04 1k90 n GLY 358 N -0.46 -2.38 0.27 3.67 0.00 -1.26 -1.96 105.19 103.06 1k90 n GLY 358 Ca -0.04 -1.16 0.14 0.00 0.00 0.00 0.00 46.02 44.95 1k90 n GLY 358 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1k90 h PRO 359 N -1.20 0.00 -0.01 1.61 0.13 -1.93 0.71 132.00 131.31 1k90 h PRO 359 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1k90 h PRO 359 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1k90 h PRO 359 CO 0.03 0.00 -0.40 1.55 -0.23 0.00 0.00 178.00 178.95 1k90 n VAL 360 N -2.61 0.00 -1.20 1.56 3.14 -1.26 -4.96 118.33 113.01 1k90 n VAL 360 Ca -0.02 -0.13 -0.47 0.00 -2.96 0.00 0.00 64.34 60.76 1k90 n VAL 360 Cb 0.27 0.61 -0.07 0.00 -1.06 0.00 0.00 33.84 33.59 1k90 n VAL 360 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1k90 n ALA 361 N -0.71 -2.50 0.00 1.55 0.00 0.24 -0.74 120.51 118.35 1k90 n ALA 361 Ca 0.10 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.98 1k90 n ALA 361 Cb 0.37 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.44 1k90 n ALA 361 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k90 n GLY 362 N 1.60 2.98 3.97 0.00 0.00 0.14 -4.88 105.19 109.01 1k90 n GLY 362 Ca 0.17 -0.28 -0.22 0.00 0.00 0.00 0.00 46.02 45.69 1k90 n GLY 362 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1k90 s TYR 363 N -2.32 2.59 -0.64 1.61 1.51 0.08 -3.95 117.35 116.23 1k90 s TYR 363 Ca 0.00 -0.01 -0.13 0.00 -1.01 0.00 0.00 57.07 55.91 1k90 s TYR 363 Cb 0.00 -2.86 0.16 0.00 -0.11 0.00 0.00 41.96 39.15 1k90 s TYR 363 CO 0.00 -1.13 0.57 0.42 -1.11 0.00 0.00 175.55 174.30 1k90 s ILE 364 N -2.91 5.09 0.33 2.71 1.09 -1.16 -1.13 121.20 125.23 1k90 s ILE 364 Ca 0.60 -2.02 -0.29 0.00 -1.10 0.00 0.00 60.65 57.84 1k90 s ILE 364 Cb -0.09 -4.23 -0.11 0.00 -1.06 0.00 0.00 42.46 36.97 1k90 s ILE 364 CO 0.40 -0.91 1.41 -2.16 -0.10 0.00 0.00 174.94 173.58 1k90 s PRO 365 N 0.90 4.24 0.10 2.79 0.04 -1.26 0.50 135.00 142.31 1k90 s PRO 365 Ca 0.10 2.38 -0.21 0.00 0.04 0.00 0.00 61.00 63.31 1k90 s PRO 365 Cb -0.21 -3.04 -0.10 0.00 0.04 0.00 0.00 34.50 31.19 1k90 s PRO 365 CO -0.03 -0.37 1.74 0.35 0.04 0.00 0.00 177.00 178.73 1k90 h PHE 366 N 3.59 0.16 -2.23 0.56 3.57 -0.53 -3.33 116.94 118.73 1k90 h PHE 366 Ca -0.49 0.00 -0.54 0.00 3.53 0.00 0.00 57.97 60.48 1k90 h PHE 366 Cb 1.23 -0.05 -0.07 0.00 2.79 0.00 0.00 35.95 39.84 1k90 h PHE 366 CO 0.56 0.13 1.12 0.34 -2.23 0.00 0.00 178.31 178.23 1k90 s ASP 367 N -5.34 6.04 0.00 0.41 3.68 -1.26 -4.70 116.67 115.50 1k90 s ASP 367 Ca -0.13 -0.39 0.01 0.00 2.13 0.00 0.00 52.55 54.16 1k90 s ASP 367 Cb 0.07 -2.56 0.04 0.00 -1.45 0.00 0.00 42.92 39.02 1k90 s ASP 367 CO 0.68 -1.91 0.64 0.00 0.13 0.00 0.00 175.17 174.72 1k90 n GLN 368 N 9.32 0.02 0.12 4.34 1.13 -1.25 -1.68 117.38 129.38 1k90 n GLN 368 Ca 0.07 0.11 -0.00 0.00 -1.94 0.00 0.00 57.00 55.24 1k90 n GLN 368 Cb 0.50 -1.50 -0.00 0.00 0.11 0.00 0.00 30.24 29.34 1k90 n GLN 368 CO 0.00 0.00 0.00 0.22 -1.44 0.00 0.00 177.06 175.84 1k90 h ASP 369 N 0.00 0.00 0.68 1.08 -0.00 -1.89 -2.97 116.42 113.32 1k90 h ASP 369 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 1k90 h ASP 369 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.33 1k90 h ASP 369 CO 0.00 0.64 0.00 0.18 -0.00 0.00 0.00 179.24 180.06 1k90 n LEU 370 N -3.28 0.00 -4.93 2.28 4.77 -0.67 -4.18 117.00 110.99 1k90 n LEU 370 Ca 0.01 0.42 -0.27 0.00 -0.03 0.00 0.00 56.01 56.14 1k90 n LEU 370 Cb 0.78 -0.42 0.10 0.00 -2.33 0.00 0.00 43.42 41.56 1k90 n LEU 370 CO 0.42 -0.08 0.71 -0.94 -1.33 0.00 0.00 177.39 176.17 1k90 s SER 371 N -2.84 4.38 0.53 -1.43 1.04 -1.12 -4.65 113.70 109.62 1k90 s SER 371 Ca 0.16 0.44 0.22 0.00 0.48 0.00 0.00 55.95 57.25 1k90 s SER 371 Cb 0.16 -0.91 1.37 0.00 0.10 0.00 0.00 66.02 66.74 1k90 s SER 371 CO 0.41 -1.91 2.05 0.07 0.98 0.00 0.00 173.24 174.84 1k90 h LYS 372 N -0.91 0.00 -0.53 4.02 2.10 -1.75 -0.18 116.57 119.32 1k90 h LYS 372 Ca -0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 1k90 h LYS 372 Cb 1.30 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.63 1k90 h LYS 372 CO 0.56 0.00 0.00 1.63 -2.00 0.00 0.00 179.45 179.64 1k90 n LYS 373 N -4.39 0.58 -1.59 0.07 4.01 -1.26 -4.86 118.16 110.73 1k90 n LYS 373 Ca 0.05 0.00 -0.43 0.00 -0.51 0.00 0.00 58.31 57.42 1k90 n LYS 373 Cb 0.42 -1.26 -0.00 0.00 -0.51 0.00 0.00 35.03 33.67 1k90 n LYS 373 CO 0.00 0.00 0.00 1.58 -1.11 0.00 0.00 177.40 177.87 1k90 n HIS 374 N 0.15 1.06 0.00 2.13 -0.00 -0.08 -2.87 115.22 115.61 1k90 n HIS 374 Ca 0.00 0.63 0.00 0.00 -0.00 0.00 0.00 57.72 58.35 1k90 n HIS 374 Cb 0.13 -2.22 0.00 0.00 -0.00 0.00 0.00 29.99 27.91 1k90 n HIS 374 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1k90 n GLY 375 N 1.25 2.05 3.56 1.57 0.00 -1.26 -4.93 105.19 107.44 1k90 n GLY 375 Ca 0.10 -0.29 -0.17 0.00 0.00 0.00 0.00 46.02 45.65 1k90 n GLY 375 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1k90 s GLN 376 N 0.00 1.76 0.47 1.61 1.11 -1.14 -4.78 119.66 118.70 1k90 s GLN 376 Ca 0.00 0.08 0.37 0.00 0.01 0.00 0.00 55.36 55.82 1k90 s GLN 376 Cb 0.00 -4.90 1.56 0.00 -1.01 0.00 0.00 33.01 28.66 1k90 s GLN 376 CO 0.00 -4.40 1.58 -0.56 0.01 0.00 0.00 175.29 171.92 1k90 h GLN 377 N 12.06 0.00 0.06 2.91 3.07 -1.90 0.15 115.11 131.46 1k90 h GLN 377 Ca 0.03 -0.00 -0.13 0.00 0.09 0.00 0.00 58.65 58.64 1k90 h GLN 377 Cb 1.00 -0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.56 1k90 h GLN 377 CO 1.06 0.00 -0.64 -0.07 0.09 0.00 0.00 178.83 179.27 1k90 h LEU 378 N 0.00 0.19 -1.30 0.06 3.38 -1.95 -2.47 115.31 113.23 1k90 h LEU 378 Ca 0.90 -0.89 0.01 0.00 0.09 0.00 0.00 57.88 57.99 1k90 h LEU 378 Cb 3.06 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 43.71 1k90 h LEU 378 CO -0.37 1.28 0.48 0.00 0.09 0.00 0.00 178.44 179.92 1k90 h ALA 379 N -0.06 1.50 -0.43 1.53 0.00 -1.49 0.30 119.26 120.62 1k90 h ALA 379 Ca -0.14 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.57 1k90 h ALA 379 Cb 1.35 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1k90 h ALA 379 CO 0.02 0.46 -0.31 0.28 0.00 0.00 0.00 179.25 179.70 1k90 h VAL 380 N 0.96 1.27 -0.45 0.00 2.07 -1.15 0.21 116.25 119.18 1k90 h VAL 380 Ca 0.27 -1.48 -0.06 0.00 0.82 0.00 0.00 66.70 66.25 1k90 h VAL 380 Cb -0.08 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 1k90 h VAL 380 CO -0.06 0.50 0.03 -0.08 0.02 0.00 0.00 177.57 177.98 1k90 h GLU 381 N 0.81 0.77 -0.00 1.57 4.81 -0.75 0.12 114.58 121.89 1k90 h GLU 381 Ca 0.08 -0.23 -0.10 0.00 -0.13 0.00 0.00 59.36 58.99 1k90 h GLU 381 Cb 0.90 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.18 1k90 h GLU 381 CO 0.08 0.81 -0.46 -0.22 -0.73 0.00 0.00 179.01 178.49 1k90 h LYS 382 N 0.62 0.00 0.23 1.92 3.11 -0.35 -0.23 116.57 121.87 1k90 h LYS 382 Ca 0.13 -0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.96 1k90 h LYS 382 Cb 0.45 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.68 1k90 h LYS 382 CO 0.02 0.47 -0.11 0.78 -2.81 0.00 0.00 179.45 177.79 1k90 h GLY 383 N 1.39 -0.33 0.82 5.01 0.00 0.07 0.17 103.07 110.19 1k90 h GLY 383 Ca -0.00 0.12 0.05 0.00 0.00 0.00 0.00 47.33 47.50 1k90 h GLY 383 CO 0.06 -0.12 0.64 3.43 0.00 0.00 0.00 176.54 180.55 1k90 h ASN 384 N -0.69 1.04 -0.17 0.19 2.35 -0.67 0.47 115.58 118.11 1k90 h ASN 384 Ca -0.03 -0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1k90 h ASN 384 Cb 0.48 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 1k90 h ASN 384 CO 0.05 0.69 0.10 0.25 -1.65 0.00 0.00 177.43 176.88 1k90 h LEU 385 N 1.20 0.20 -0.02 1.61 7.12 -0.93 1.29 115.31 125.78 1k90 h LEU 385 Ca 0.40 -0.04 0.00 0.00 0.13 0.00 0.00 57.88 58.38 1k90 h LEU 385 Cb 0.07 -0.05 -0.00 0.00 -0.53 0.00 0.00 40.66 40.15 1k90 h LEU 385 CO -0.15 0.18 0.01 -0.33 -0.13 0.00 0.00 178.44 178.02 1k90 h GLU 386 N 0.20 0.02 -0.72 1.25 4.39 0.03 0.24 114.58 119.99 1k90 h GLU 386 Ca 0.06 -0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.81 1k90 h GLU 386 Cb 0.01 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.61 1k90 h GLU 386 CO -0.01 0.03 0.47 -0.91 -1.16 0.00 0.00 179.01 177.43 1k90 h ASN 387 N 0.01 0.69 -0.24 1.42 2.35 0.39 0.18 115.58 120.38 1k90 h ASN 387 Ca 0.01 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.73 1k90 h ASN 387 Cb 0.01 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.22 1k90 h ASN 387 CO -0.00 0.45 0.05 0.11 -1.65 0.00 0.00 177.43 176.39 1k90 h LYS 388 N 0.79 0.39 -0.48 0.81 6.56 0.27 -2.41 116.57 122.51 1k90 h LYS 388 Ca 0.30 -0.10 -0.03 0.00 -1.06 0.00 0.00 60.65 59.77 1k90 h LYS 388 Cb 0.20 -0.05 -0.02 0.00 -0.57 0.00 0.00 32.23 31.79 1k90 h LYS 388 CO -0.10 0.51 0.19 0.87 -2.06 0.00 0.00 179.45 178.87 1k90 h LYS 389 N 0.21 0.71 -0.92 3.15 1.57 0.44 -2.32 116.57 119.41 1k90 h LYS 389 Ca 0.07 -0.13 0.16 0.00 -1.87 0.00 0.00 60.65 58.88 1k90 h LYS 389 Cb 0.30 -0.12 -0.10 0.00 0.08 0.00 0.00 32.23 32.40 1k90 h LYS 389 CO 0.00 0.64 0.52 0.77 -0.57 0.00 0.00 179.45 180.82 1k90 h SER 390 N 0.63 0.68 -0.33 0.86 0.02 -0.55 1.00 113.55 115.86 1k90 h SER 390 Ca 0.16 0.09 -0.16 0.00 -0.84 0.00 0.00 61.79 61.03 1k90 h SER 390 Cb 0.19 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.70 1k90 h SER 390 CO -0.01 0.28 -0.43 0.40 -1.14 0.00 0.00 176.83 175.93 1k90 h ILE 391 N 0.73 1.27 0.00 3.27 1.08 -1.13 -3.01 117.51 119.72 1k90 h ILE 391 Ca 0.50 -1.61 0.00 0.00 -0.39 0.00 0.00 64.86 63.37 1k90 h ILE 391 Cb 0.70 1.46 0.00 0.00 -3.07 0.00 0.00 36.82 35.91 1k90 h ILE 391 CO -0.35 0.53 0.00 0.35 -0.69 0.00 0.00 178.15 177.99 1k90 n THR 392 N -4.04 0.00 0.29 -0.27 -2.24 -0.40 -2.87 114.28 104.74 1k90 n THR 392 Ca -0.03 0.41 0.07 0.00 -2.27 0.00 0.00 64.05 62.24 1k90 n THR 392 Cb 0.57 -1.26 0.38 0.00 -2.10 0.00 0.00 70.33 67.91 1k90 n THR 392 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1k90 h GLU 393 N 0.00 0.00 -0.33 -0.78 5.08 0.78 0.48 114.58 119.81 1k90 h GLU 393 Ca 0.00 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.10 1k90 h GLU 393 Cb 0.00 0.00 -0.33 0.00 0.50 0.00 0.00 28.75 28.92 1k90 h GLU 393 CO 0.00 0.00 -0.91 0.72 -1.00 0.00 0.00 179.01 177.82 1k90 n HIS 394 N -2.51 1.10 -1.48 4.33 8.25 -1.14 -5.03 115.22 118.74 1k90 n HIS 394 Ca -0.01 -1.65 -0.52 0.00 -0.26 0.00 0.00 57.72 55.29 1k90 n HIS 394 Cb 0.63 -0.24 -0.05 0.00 1.12 0.00 0.00 29.99 31.45 1k90 n HIS 394 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1k90 n GLU 395 N -0.47 0.34 0.00 -0.41 2.13 0.17 -1.30 120.64 121.10 1k90 n GLU 395 Ca 0.19 0.12 0.00 0.00 0.66 0.00 0.00 57.16 58.12 1k90 n GLU 395 Cb 0.91 -1.41 0.00 0.00 0.27 0.00 0.00 31.44 31.20 1k90 n GLU 395 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1k90 n GLY 396 N 1.81 1.87 0.14 8.31 0.00 -1.26 -4.65 105.19 111.40 1k90 n GLY 396 Ca 0.18 -0.32 -0.23 0.00 0.00 0.00 0.00 46.02 45.65 1k90 n GLY 396 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1k90 h GLU 397 N 0.00 0.39 -5.20 1.61 4.57 -1.57 -3.41 114.58 110.97 1k90 h GLU 397 Ca 0.00 -0.66 -0.67 0.00 -1.18 0.00 0.00 59.36 56.85 1k90 h GLU 397 Cb 0.00 0.25 -0.34 0.00 -0.16 0.00 0.00 28.75 28.50 1k90 h GLU 397 CO 0.00 1.32 -0.87 0.42 -1.18 0.00 0.00 179.01 178.70 1k90 s ILE 398 N -2.54 2.00 0.00 2.32 -1.09 -0.64 -1.31 121.20 119.94 1k90 s ILE 398 Ca -0.15 -0.96 0.00 0.00 -2.23 0.00 0.00 60.65 57.31 1k90 s ILE 398 Cb 0.04 -1.76 0.00 0.00 -1.58 0.00 0.00 42.46 39.16 1k90 s ILE 398 CO 0.85 0.54 0.00 0.61 -1.23 0.00 0.00 174.94 175.72 1k90 n GLY 399 N 3.89 4.68 3.07 6.18 0.00 0.12 -4.38 105.19 118.75 1k90 n GLY 399 Ca -0.20 -1.67 -0.13 0.00 0.00 0.00 0.00 46.02 44.02 1k90 n GLY 399 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k90 s LYS 400 N -0.83 0.54 0.08 1.61 -2.85 -1.26 0.47 119.74 117.50 1k90 s LYS 400 Ca 0.00 -0.75 -0.12 0.00 -1.00 0.00 0.00 55.97 54.09 1k90 s LYS 400 Cb 0.00 -0.33 0.02 0.00 -2.06 0.00 0.00 37.83 35.46 1k90 s LYS 400 CO 0.00 0.06 0.28 0.96 0.10 0.00 0.00 175.35 176.75 1k90 s ILE 401 N -1.34 0.10 0.34 3.79 -4.36 -0.45 -4.90 121.20 114.39 1k90 s ILE 401 Ca -0.09 -0.83 -0.29 0.00 -0.26 0.00 0.00 60.65 59.18 1k90 s ILE 401 Cb -0.10 -1.12 -0.11 0.00 1.25 0.00 0.00 42.46 42.38 1k90 s ILE 401 CO 0.00 -0.46 1.54 -2.84 0.24 0.00 0.00 174.94 173.42 1k90 s PRO 402 N -3.26 4.11 0.13 0.37 0.02 -1.26 0.78 135.00 135.89 1k90 s PRO 402 Ca 0.00 2.58 -0.31 0.00 0.02 0.00 0.00 61.00 63.30 1k90 s PRO 402 Cb 0.02 -2.99 -0.07 0.00 0.02 0.00 0.00 34.50 31.47 1k90 s PRO 402 CO -0.08 -0.58 1.27 -1.17 -0.33 0.00 0.00 177.00 176.11 1k90 s LEU 403 N -1.40 4.40 -0.49 -5.54 2.96 0.18 -4.79 118.68 114.00 1k90 s LEU 403 Ca 0.57 2.22 0.01 0.00 -0.22 0.00 0.00 54.13 56.72 1k90 s LEU 403 Cb -0.47 -3.59 0.13 0.00 0.50 0.00 0.00 46.19 42.75 1k90 s LEU 403 CO 0.57 -0.51 0.25 -0.75 -1.32 0.00 0.00 176.35 174.58 1k90 s LYS 404 N 0.58 2.02 -0.58 1.98 2.47 -1.26 -1.53 119.74 123.42 1k90 s LYS 404 Ca 0.59 -2.29 -0.21 0.00 -1.56 0.00 0.00 55.97 52.50 1k90 s LYS 404 Cb -0.34 -3.45 0.07 0.00 -1.46 0.00 0.00 37.83 32.65 1k90 s LYS 404 CO 0.33 -1.08 0.82 -0.51 0.16 0.00 0.00 175.35 175.06 1k90 s LEU 405 N 0.30 4.69 0.90 5.43 1.43 -0.72 -5.01 118.68 125.69 1k90 s LEU 405 Ca 0.14 -0.94 -0.14 0.00 -1.03 0.00 0.00 54.13 52.17 1k90 s LEU 405 Cb -0.22 -2.48 0.14 0.00 0.03 0.00 0.00 46.19 43.65 1k90 s LEU 405 CO -0.03 -1.19 1.23 1.51 0.23 0.00 0.00 176.35 178.09 1k90 s ASP 406 N 3.25 3.70 0.25 2.29 -4.77 -1.26 -4.83 116.67 115.29 1k90 s ASP 406 Ca 0.20 0.60 -0.07 0.00 -3.30 0.00 0.00 52.55 49.98 1k90 s ASP 406 Cb -0.18 -0.93 0.43 0.00 -1.09 0.00 0.00 42.92 41.15 1k90 s ASP 406 CO 0.12 -2.40 1.63 0.45 0.70 0.00 0.00 175.17 175.67 1k90 h HIS 407 N -1.40 -0.09 -0.35 2.11 3.86 -1.98 -2.61 115.15 114.69 1k90 h HIS 407 Ca -0.46 0.06 -0.03 0.00 -1.16 0.00 0.00 60.37 58.78 1k90 h HIS 407 Cb 1.29 0.16 -0.01 0.00 1.06 0.00 0.00 27.41 29.91 1k90 h HIS 407 CO -0.35 -0.26 0.10 -0.07 0.86 0.00 0.00 177.93 178.22 1k90 h LEU 408 N 0.09 0.52 -1.26 2.43 4.07 -2.01 -3.07 115.31 116.07 1k90 h LEU 408 Ca 0.41 -0.21 0.00 0.00 0.08 0.00 0.00 57.88 58.16 1k90 h LEU 408 Cb 0.72 -0.14 -0.03 0.00 1.08 0.00 0.00 40.66 42.29 1k90 h LEU 408 CO -0.68 0.59 0.44 -0.09 -1.08 0.00 0.00 178.44 177.62 1k90 h ARG 409 N 0.41 0.94 -0.28 1.13 9.65 -1.84 -2.28 114.38 122.11 1k90 h ARG 409 Ca 0.11 -0.07 0.06 0.00 -1.10 0.00 0.00 59.98 58.98 1k90 h ARG 409 Cb 0.27 -0.21 -0.06 0.00 -1.39 0.00 0.00 29.97 28.58 1k90 h ARG 409 CO -0.00 0.65 -0.14 0.82 2.80 0.00 0.00 179.97 184.09 1k90 h ILE 410 N 0.96 0.56 -0.11 1.20 1.08 -1.42 0.21 117.51 119.99 1k90 h ILE 410 Ca 0.26 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.75 1k90 h ILE 410 Cb -0.07 0.56 -0.03 0.00 -3.07 0.00 0.00 36.82 34.22 1k90 h ILE 410 CO -0.05 0.00 -0.05 -0.33 -0.69 0.00 0.00 178.15 177.03 1k90 h GLU 411 N -0.11 -0.04 -0.95 2.37 4.39 -1.42 0.99 114.58 119.82 1k90 h GLU 411 Ca 0.15 0.00 0.09 0.00 0.34 0.00 0.00 59.36 59.94 1k90 h GLU 411 Cb 0.33 0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 28.91 1k90 h GLU 411 CO -0.35 -0.02 0.59 0.93 -1.16 0.00 0.00 179.01 179.00 1k90 h GLU 412 N -0.04 0.98 -0.07 2.33 5.08 -0.91 0.10 114.58 122.06 1k90 h GLU 412 Ca 0.06 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 1k90 h GLU 412 Cb 0.13 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1k90 h GLU 412 CO -0.13 0.65 -0.51 -0.07 -1.00 0.00 0.00 179.01 177.94 1k90 h LEU 413 N 1.01 0.20 0.15 1.33 3.38 0.00 0.26 115.31 121.64 1k90 h LEU 413 Ca 0.44 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.30 1k90 h LEU 413 Cb 0.32 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1k90 h LEU 413 CO -0.22 0.68 -0.07 0.50 0.09 0.00 0.00 178.44 179.42 1k90 h LYS 414 N 0.15 -0.19 -0.22 1.13 3.64 0.76 -0.10 116.57 121.75 1k90 h LYS 414 Ca 0.00 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1k90 h LYS 414 Cb 0.96 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.81 1k90 h LYS 414 CO 0.08 0.13 0.03 0.93 -2.27 0.00 0.00 179.45 178.35 1k90 h GLU 415 N -0.54 0.31 0.00 1.90 4.39 -0.80 -0.06 114.58 119.78 1k90 h GLU 415 Ca -0.02 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1k90 h GLU 415 Cb 0.42 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 1k90 h GLU 415 CO 0.03 0.31 0.00 0.09 -1.16 0.00 0.00 179.01 178.29 1k90 n ASN 416 N -4.39 0.00 -3.12 1.42 5.03 0.07 -4.91 115.26 109.36 1k90 n ASN 416 Ca 0.00 0.27 -0.15 0.00 0.87 0.00 0.00 54.58 55.57 1k90 n ASN 416 Cb 0.17 -0.41 0.08 0.00 -1.02 0.00 0.00 39.78 38.59 1k90 n ASN 416 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1k90 n GLY 417 N 0.93 -0.26 0.42 7.41 0.00 -0.04 -4.96 105.19 108.69 1k90 n GLY 417 Ca 0.08 0.03 -0.10 0.00 0.00 0.00 0.00 46.02 46.03 1k90 n GLY 417 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1k90 n ILE 418 N -3.74 0.60 -4.00 -0.61 2.08 -0.16 -5.05 119.36 108.48 1k90 n ILE 418 Ca -0.25 -0.18 -0.10 0.00 0.56 0.00 0.00 62.75 62.78 1k90 n ILE 418 Cb 0.65 -1.33 -0.06 0.00 -0.75 0.00 0.00 39.64 38.14 1k90 n ILE 418 CO 0.00 0.00 0.00 0.27 0.56 0.00 0.00 176.55 177.38 1k90 s ILE 419 N -2.20 0.02 -0.07 1.39 -4.36 -1.24 -4.50 121.20 110.24 1k90 s ILE 419 Ca -0.15 -1.45 -0.04 0.00 -0.26 0.00 0.00 60.65 58.74 1k90 s ILE 419 Cb 0.05 -2.10 0.03 0.00 1.25 0.00 0.00 42.46 41.70 1k90 s ILE 419 CO 0.21 -0.10 0.18 -0.76 0.24 0.00 0.00 174.94 174.71 1k90 s LEU 420 N -3.02 0.87 -0.02 0.37 1.43 -1.08 -4.06 118.68 113.18 1k90 s LEU 420 Ca 0.22 0.36 -0.30 0.00 -1.03 0.00 0.00 54.13 53.39 1k90 s LEU 420 Cb 0.02 0.52 -0.05 0.00 0.03 0.00 0.00 46.19 46.71 1k90 s LEU 420 CO 0.06 -0.12 1.30 -0.75 0.23 0.00 0.00 176.35 177.07 1k90 s LYS 421 N 0.82 4.32 0.00 1.70 2.20 -1.26 -0.75 119.74 126.77 1k90 s LYS 421 Ca -0.06 1.83 0.00 0.00 -0.36 0.00 0.00 55.97 57.38 1k90 s LYS 421 Cb -0.08 -3.54 0.00 0.00 -1.51 0.00 0.00 37.83 32.70 1k90 s LYS 421 CO -0.04 -0.50 0.00 0.41 -0.36 0.00 0.00 175.35 174.86 1k90 n GLY 422 N 3.49 3.90 3.72 5.54 0.00 0.43 -4.94 105.19 117.34 1k90 n GLY 422 Ca 0.12 -1.96 -0.42 0.00 0.00 0.00 0.00 46.02 43.76 1k90 n GLY 422 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k90 s LYS 423 N 2.58 4.17 1.16 1.61 0.00 -1.26 -4.27 119.74 123.73 1k90 s LYS 423 Ca 0.00 2.49 -0.17 0.00 0.00 0.00 0.00 55.97 58.29 1k90 s LYS 423 Cb 0.00 -3.10 0.23 0.00 0.00 0.00 0.00 37.83 34.96 1k90 s LYS 423 CO 0.00 -0.67 0.48 1.17 0.00 0.00 0.00 175.35 176.33 1k90 n LYS 424 N 3.75 -2.95 0.00 1.78 4.81 -1.26 -3.04 118.16 121.25 1k90 n LYS 424 Ca 0.14 -0.87 0.00 0.00 -0.87 0.00 0.00 58.31 56.71 1k90 n LYS 424 Cb 0.37 -1.66 0.00 0.00 0.02 0.00 0.00 35.03 33.76 1k90 n LYS 424 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1k90 n GLU 425 N -3.10 0.00 -3.23 1.64 2.13 0.25 -4.77 120.64 113.57 1k90 n GLU 425 Ca 0.07 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.60 1k90 n GLU 425 Cb 0.46 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.14 1k90 n GLU 425 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1k90 s ILE 426 N 0.00 4.97 -0.27 6.31 1.09 -1.26 -0.54 121.20 131.51 1k90 s ILE 426 Ca 0.00 0.16 -0.13 0.00 -1.10 0.00 0.00 60.65 59.58 1k90 s ILE 426 Cb 0.00 -3.74 0.09 0.00 -1.06 0.00 0.00 42.46 37.75 1k90 s ILE 426 CO 0.00 -0.38 0.63 -0.62 -0.10 0.00 0.00 174.94 174.47 1k90 s ASP 427 N -3.19 -0.90 -1.59 3.58 3.68 0.35 -4.90 116.67 113.70 1k90 s ASP 427 Ca 0.45 1.42 -0.17 0.00 2.13 0.00 0.00 52.55 56.39 1k90 s ASP 427 Cb -0.11 1.53 0.14 0.00 -1.45 0.00 0.00 42.92 43.03 1k90 s ASP 427 CO 0.31 -0.23 0.75 -3.20 0.13 0.00 0.00 175.17 172.92 1k90 n ASN 428 N 4.65 -3.51 -1.05 -0.34 5.15 -1.26 -0.41 115.26 118.49 1k90 n ASN 428 Ca -0.18 -0.86 -0.08 0.00 -0.60 0.00 0.00 54.58 52.87 1k90 n ASN 428 Cb 0.55 -2.87 0.01 0.00 -0.53 0.00 0.00 39.78 36.94 1k90 n ASN 428 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1k90 n GLY 429 N -1.36 0.19 2.97 8.20 0.00 -1.26 -5.05 105.19 108.89 1k90 n GLY 429 Ca 0.06 -0.51 -0.13 0.00 0.00 0.00 0.00 46.02 45.44 1k90 n GLY 429 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k90 s LYS 430 N -4.70 0.33 0.01 1.61 1.02 0.46 -5.14 119.74 113.32 1k90 s LYS 430 Ca 0.06 -0.39 -0.23 0.00 0.02 0.00 0.00 55.97 55.44 1k90 s LYS 430 Cb -0.03 -0.18 -0.05 0.00 -0.52 0.00 0.00 37.83 37.05 1k90 s LYS 430 CO 0.08 0.04 0.69 0.15 -0.92 0.00 0.00 175.35 175.38 1k90 s LYS 431 N -0.76 4.41 -0.11 1.68 1.02 -1.26 -0.49 119.74 124.23 1k90 s LYS 431 Ca -0.05 0.90 -0.04 0.00 0.02 0.00 0.00 55.97 56.79 1k90 s LYS 431 Cb -0.05 -3.37 0.05 0.00 -0.52 0.00 0.00 37.83 33.94 1k90 s LYS 431 CO -0.00 0.29 0.23 0.71 -0.92 0.00 0.00 175.35 175.65 1k90 s TYR 432 N 0.02 -0.33 -0.25 3.18 1.51 0.30 -2.95 117.35 118.83 1k90 s TYR 432 Ca 0.35 0.82 -0.12 0.00 -1.01 0.00 0.00 57.07 57.11 1k90 s TYR 432 Cb -0.19 -0.08 -0.05 0.00 -0.11 0.00 0.00 41.96 41.53 1k90 s TYR 432 CO 0.20 -0.30 0.24 0.71 -1.11 0.00 0.00 175.55 175.29 1k90 s TYR 433 N 2.09 3.28 0.10 2.71 1.51 -0.98 -0.59 117.35 125.48 1k90 s TYR 433 Ca -0.01 0.28 -0.31 0.00 -1.01 0.00 0.00 57.07 56.02 1k90 s TYR 433 Cb -0.12 -2.39 -0.09 0.00 -0.11 0.00 0.00 41.96 39.26 1k90 s TYR 433 CO -0.08 -0.06 1.58 -1.17 -1.11 0.00 0.00 175.55 174.72 1k90 s LEU 434 N 1.47 4.36 -0.33 -1.29 0.20 -1.17 -2.32 118.68 119.61 1k90 s LEU 434 Ca 0.10 2.49 -0.13 0.00 0.69 0.00 0.00 54.13 57.28 1k90 s LEU 434 Cb -0.15 -3.58 -0.02 0.00 -0.43 0.00 0.00 46.19 42.01 1k90 s LEU 434 CO 0.08 -0.83 0.26 -0.76 -0.29 0.00 0.00 176.35 174.81 1k90 s LEU 435 N 1.98 4.39 0.53 -0.68 1.43 0.19 0.16 118.68 126.68 1k90 s LEU 435 Ca 0.71 -0.27 -0.06 0.00 -1.03 0.00 0.00 54.13 53.48 1k90 s LEU 435 Cb -0.40 -2.19 -0.03 0.00 0.03 0.00 0.00 46.19 43.60 1k90 s LEU 435 CO 0.31 -0.22 0.86 -1.61 0.23 0.00 0.00 176.35 175.92 1k90 s GLU 436 N 1.81 3.39 -0.04 1.70 8.01 0.07 -3.31 118.70 130.33 1k90 s GLU 436 Ca 0.08 0.24 -0.29 0.00 0.01 0.00 0.00 54.97 55.01 1k90 s GLU 436 Cb -0.17 -2.30 0.10 0.00 -4.31 0.00 0.00 34.13 27.46 1k90 s GLU 436 CO 0.11 -0.40 0.88 -1.54 0.01 0.00 0.00 175.26 174.32 1k90 s SER 437 N -4.17 -0.41 0.00 -0.19 1.04 -1.26 -2.62 113.70 106.09 1k90 s SER 437 Ca 0.50 0.17 0.00 0.00 0.48 0.00 0.00 55.95 57.10 1k90 s SER 437 Cb -0.10 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.41 1k90 s SER 437 CO 0.47 -0.57 0.48 -0.46 0.98 0.00 0.00 173.24 174.14 1k90 n ASN 438 N 0.10 0.23 -4.71 7.02 2.04 -1.26 -4.68 115.26 114.01 1k90 n ASN 438 Ca -0.11 -1.20 -0.37 0.00 -0.44 0.00 0.00 54.58 52.47 1k90 n ASN 438 Cb 0.61 -0.12 -0.07 0.00 -2.53 0.00 0.00 39.78 37.67 1k90 n ASN 438 CO 0.00 0.00 0.00 0.21 -0.44 0.00 0.00 177.26 177.03 1k90 s ASN 439 N -1.01 6.47 0.00 0.53 2.47 -1.26 -4.96 114.94 117.18 1k90 s ASN 439 Ca 0.00 0.55 0.21 0.00 0.42 0.00 0.00 52.86 54.04 1k90 s ASN 439 Cb 0.00 -2.21 0.08 0.00 -1.45 0.00 0.00 41.25 37.67 1k90 s ASN 439 CO 0.00 0.04 1.09 0.00 -3.72 0.00 0.00 177.10 174.50 1k90 n GLN 440 N 3.82 1.69 0.07 0.43 0.00 -1.26 -4.39 117.38 117.74 1k90 n GLN 440 Ca -0.10 -1.36 -0.22 0.00 0.00 0.00 0.00 57.00 55.31 1k90 n GLN 440 Cb 0.52 -1.40 -0.15 0.00 0.00 0.00 0.00 30.24 29.21 1k90 n GLN 440 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1k90 h VAL 441 N 3.21 0.95 -1.81 -0.39 2.07 -1.93 -3.42 116.25 114.93 1k90 h VAL 441 Ca 0.00 -2.53 -0.61 0.00 0.82 0.00 0.00 66.70 64.37 1k90 h VAL 441 Cb 0.78 2.76 -0.12 0.00 -1.52 0.00 0.00 31.29 33.19 1k90 h VAL 441 CO 0.00 0.86 -0.63 -0.31 0.02 0.00 0.00 177.57 177.51 1k90 s TYR 442 N -2.58 2.49 -0.01 1.57 1.51 -1.26 -0.79 117.35 118.28 1k90 s TYR 442 Ca -0.15 -0.55 0.00 0.00 -1.01 0.00 0.00 57.07 55.35 1k90 s TYR 442 Cb 0.05 -1.59 0.02 0.00 -0.11 0.00 0.00 41.96 40.33 1k90 s TYR 442 CO 0.85 0.49 0.01 -2.00 -1.11 0.00 0.00 175.55 173.79 1k90 s GLU 443 N -3.69 -0.01 0.30 -0.62 2.12 -0.92 -4.78 118.70 111.10 1k90 s GLU 443 Ca 0.34 0.09 0.10 0.00 0.36 0.00 0.00 54.97 55.86 1k90 s GLU 443 Cb 0.05 -0.14 -0.05 0.00 0.26 0.00 0.00 34.13 34.25 1k90 s GLU 443 CO 0.18 -0.08 -0.01 -0.06 -0.54 0.00 0.00 175.26 174.74 1k90 s PHE 444 N 0.55 2.60 0.09 5.30 0.40 -1.21 -2.80 117.98 122.90 1k90 s PHE 444 Ca -0.05 -0.32 -0.16 0.00 -0.60 0.00 0.00 56.93 55.80 1k90 s PHE 444 Cb -0.07 -1.29 0.03 0.00 0.51 0.00 0.00 43.02 42.20 1k90 s PHE 444 CO -0.02 0.56 0.39 1.03 0.70 0.00 0.00 175.22 177.89 1k90 s ARG 445 N -3.68 0.98 0.01 0.44 1.81 -0.27 -0.64 118.95 117.60 1k90 s ARG 445 Ca 0.33 -0.57 0.03 0.00 -1.72 0.00 0.00 55.73 53.79 1k90 s ARG 445 Cb -0.04 0.43 -0.01 0.00 -0.45 0.00 0.00 34.95 34.88 1k90 s ARG 445 CO 0.19 -0.36 -0.08 -1.50 -0.68 0.00 0.00 175.30 172.87 1k90 s ILE 446 N -3.21 0.64 1.22 1.52 2.07 -0.98 -0.14 121.20 122.32 1k90 s ILE 446 Ca -0.01 -0.55 -0.20 0.00 -1.41 0.00 0.00 60.65 58.48 1k90 s ILE 446 Cb 0.01 -0.58 0.30 0.00 0.13 0.00 0.00 42.46 42.32 1k90 s ILE 446 CO -0.08 0.04 1.12 -0.94 -1.91 0.00 0.00 174.94 173.17 1k90 s SER 447 N -0.57 0.74 0.00 4.50 1.04 0.85 -2.31 113.70 117.95 1k90 s SER 447 Ca 0.00 0.53 0.00 0.00 0.48 0.00 0.00 55.95 56.96 1k90 s SER 447 Cb -0.05 -0.70 0.00 0.00 0.10 0.00 0.00 66.02 65.37 1k90 s SER 447 CO 0.00 -4.22 0.00 -0.67 0.98 0.00 0.00 173.24 169.33 1k90 n ASP 448 N -4.81 3.59 -0.01 7.02 -0.08 -1.15 -3.98 116.55 117.13 1k90 n ASP 448 Ca 0.15 -0.13 -0.18 0.00 -1.51 0.00 0.00 54.79 53.12 1k90 n ASP 448 Cb 0.60 0.97 -0.14 0.00 2.34 0.00 0.00 41.12 44.89 1k90 n ASP 448 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1k90 n GLU 449 N -1.33 0.72 0.00 -0.67 4.71 -1.26 -4.53 120.64 118.28 1k90 n GLU 449 Ca 0.00 0.26 0.00 0.00 -0.01 0.00 0.00 57.16 57.41 1k90 n GLU 449 Cb 0.00 -1.72 0.00 0.00 -1.01 0.00 0.00 31.44 28.71 1k90 n GLU 449 CO 0.00 0.00 0.00 0.27 0.09 0.00 0.00 177.13 177.49 1k90 n ASN 450 N -3.35 1.04 -3.42 1.62 0.23 -1.26 -5.00 115.26 105.12 1k90 n ASN 450 Ca -0.28 -1.36 -0.25 0.00 -0.53 0.00 0.00 54.58 52.16 1k90 n ASN 450 Cb 1.05 0.00 0.02 0.00 -2.08 0.00 0.00 39.78 38.77 1k90 n ASN 450 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1k90 n ASN 451 N -0.18 -4.85 -4.72 0.53 3.02 -1.26 -4.84 115.26 102.97 1k90 n ASN 451 Ca 0.00 -0.47 -0.39 0.00 -0.03 0.00 0.00 54.58 53.69 1k90 n ASN 451 Cb 0.21 -3.92 -0.05 0.00 -0.61 0.00 0.00 39.78 35.40 1k90 n ASN 451 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1k90 s GLU 452 N -6.10 4.40 0.14 3.52 2.02 -1.26 -1.76 118.70 119.66 1k90 s GLU 452 Ca 0.45 0.76 -0.12 0.00 0.02 0.00 0.00 54.97 56.07 1k90 s GLU 452 Cb -0.22 -3.43 -0.07 0.00 0.10 0.00 0.00 34.13 30.51 1k90 s GLU 452 CO 0.56 0.13 0.51 0.08 0.02 0.00 0.00 175.26 176.56 1k90 s VAL 453 N 0.62 4.93 0.05 2.63 1.01 -0.58 -0.11 120.40 128.95 1k90 s VAL 453 Ca 0.34 0.68 0.01 0.00 0.00 0.00 0.00 61.98 63.01 1k90 s VAL 453 Cb -0.17 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 1k90 s VAL 453 CO 0.16 0.21 -0.06 -1.10 0.00 0.00 0.00 175.10 174.32 1k90 s GLN 454 N -2.06 0.55 0.24 2.72 -0.21 0.80 -1.89 119.66 119.81 1k90 s GLN 454 Ca 0.38 -0.92 0.02 0.00 0.02 0.00 0.00 55.36 54.85 1k90 s GLN 454 Cb -0.14 -0.09 -0.04 0.00 1.00 0.00 0.00 33.01 33.74 1k90 s GLN 454 CO 0.19 -0.02 0.17 1.52 -2.12 0.00 0.00 175.29 175.04 1k90 s TYR 455 N -2.29 1.36 -0.02 0.91 -0.00 0.17 -1.12 117.35 116.36 1k90 s TYR 455 Ca -0.04 -1.46 -0.30 0.00 -0.00 0.00 0.00 57.07 55.28 1k90 s TYR 455 Cb -0.04 -0.62 0.11 0.00 -0.00 0.00 0.00 41.96 41.40 1k90 s TYR 455 CO -0.03 -0.69 0.99 -1.59 -0.00 0.00 0.00 175.55 174.23 1k90 s LYS 456 N -3.94 0.74 0.30 -3.49 -2.85 -1.12 -0.36 119.74 109.01 1k90 s LYS 456 Ca 0.39 -0.31 -0.28 0.00 -1.00 0.00 0.00 55.97 54.77 1k90 s LYS 456 Cb 0.06 0.32 -0.09 0.00 -2.06 0.00 0.00 37.83 36.05 1k90 s LYS 456 CO 0.17 -0.33 1.04 0.95 0.10 0.00 0.00 175.35 177.28 1k90 s THR 457 N -2.95 3.71 -0.14 3.79 -4.23 -1.07 -2.17 115.64 112.58 1k90 s THR 457 Ca 0.08 1.60 -0.29 0.00 -1.18 0.00 0.00 61.69 61.90 1k90 s THR 457 Cb -0.01 -3.98 -0.01 0.00 1.34 0.00 0.00 72.50 69.85 1k90 s THR 457 CO -0.06 0.30 1.00 -0.54 -0.54 0.00 0.00 174.62 174.77 1k90 s LYS 458 N -1.66 4.37 -0.15 3.99 1.02 0.03 -4.85 119.74 122.48 1k90 s LYS 458 Ca 0.47 1.35 -0.34 0.00 0.02 0.00 0.00 55.97 57.47 1k90 s LYS 458 Cb -0.28 -3.57 -0.16 0.00 -0.52 0.00 0.00 37.83 33.31 1k90 s LYS 458 CO 0.35 -0.39 1.01 -1.91 -0.92 0.00 0.00 175.35 173.48 1k90 n GLU 459 N 5.35 0.00 0.00 1.68 2.13 -1.26 -1.80 120.64 126.74 1k90 n GLU 459 Ca 0.09 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.91 1k90 n GLU 459 Cb 0.48 -1.18 0.00 0.00 0.27 0.00 0.00 31.44 31.01 1k90 n GLU 459 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1k90 n GLY 460 N 1.96 2.07 3.56 8.31 0.00 -1.26 -5.03 105.19 114.80 1k90 n GLY 460 Ca 0.19 -0.66 -0.39 0.00 0.00 0.00 0.00 46.02 45.17 1k90 n GLY 460 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1k90 n LYS 461 N 0.00 0.84 -5.00 1.61 4.76 -0.74 -5.01 118.16 114.61 1k90 n LYS 461 Ca 0.00 0.32 -0.28 0.00 -2.87 0.00 0.00 58.31 55.48 1k90 n LYS 461 Cb 0.00 -1.97 -0.16 0.00 -1.84 0.00 0.00 35.03 31.06 1k90 n LYS 461 CO 0.00 0.00 0.00 -1.50 -1.37 0.00 0.00 177.40 174.53 1k90 s ILE 462 N -1.53 1.68 0.64 -0.18 1.10 -1.26 -4.67 121.20 116.97 1k90 s ILE 462 Ca 0.71 -0.85 -0.18 0.00 -0.51 0.00 0.00 60.65 59.82 1k90 s ILE 462 Cb -0.46 -1.43 -0.02 0.00 0.15 0.00 0.00 42.46 40.69 1k90 s ILE 462 CO 0.52 0.47 1.13 0.41 -2.11 0.00 0.00 174.94 175.36 1k90 n THR 463 N 3.10 4.34 -0.31 4.00 -1.04 -0.84 -4.79 114.28 118.75 1k90 n THR 463 Ca -0.18 -0.49 0.13 0.00 -2.04 0.00 0.00 64.05 61.47 1k90 n THR 463 Cb 0.53 -1.32 0.31 0.00 -1.82 0.00 0.00 70.33 68.03 1k90 n THR 463 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1k90 h VAL 464 N 0.43 0.46 0.00 12.58 2.07 -1.92 1.26 116.25 131.14 1k90 h VAL 464 Ca -0.50 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 66.89 1k90 h VAL 464 Cb 1.35 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1k90 h VAL 464 CO 0.52 0.07 0.00 0.18 0.02 0.00 0.00 177.57 178.36 1k90 n LEU 465 N -5.05 0.00 0.00 2.57 4.77 -1.26 -4.87 117.00 113.15 1k90 n LEU 465 Ca 0.22 0.41 0.00 0.00 -0.03 0.00 0.00 56.01 56.61 1k90 n LEU 465 Cb 0.66 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1k90 n LEU 465 CO 0.12 -0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.71 1k90 n GLY 466 N 0.84 0.65 3.74 -0.72 0.00 0.43 -5.08 105.19 105.06 1k90 n GLY 466 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 1k90 n GLY 466 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1k90 s GLU 467 N -0.88 0.41 -0.30 1.61 2.02 -1.25 -4.67 118.70 115.64 1k90 s GLU 467 Ca 0.00 0.19 -0.12 0.00 0.02 0.00 0.00 54.97 55.05 1k90 s GLU 467 Cb 0.00 -1.76 0.17 0.00 0.10 0.00 0.00 34.13 32.63 1k90 s GLU 467 CO 0.00 -2.67 0.92 -1.59 0.02 0.00 0.00 175.26 171.94 1k90 s LYS 468 N -5.30 0.33 0.16 1.61 -2.85 -1.26 -1.98 119.74 110.45 1k90 s LYS 468 Ca 0.67 0.75 0.01 0.00 -1.00 0.00 0.00 55.97 56.39 1k90 s LYS 468 Cb -0.13 0.44 -0.00 0.00 -2.06 0.00 0.00 37.83 36.07 1k90 s LYS 468 CO 0.55 -0.19 0.20 1.97 0.10 0.00 0.00 175.35 177.97 1k90 n PHE 469 N 5.18 -0.72 -4.50 1.78 1.16 -1.26 -5.02 117.46 114.07 1k90 n PHE 469 Ca -0.08 -1.20 -0.24 0.00 -1.87 0.00 0.00 57.45 54.07 1k90 n PHE 469 Cb 0.52 0.22 -0.10 0.00 -1.61 0.00 0.00 39.48 38.51 1k90 n PHE 469 CO 0.00 0.00 0.00 1.21 -1.87 0.00 0.00 176.76 176.10 1k90 s ASN 470 N -2.06 2.81 0.00 5.98 2.47 -1.26 -2.60 114.94 120.27 1k90 s ASN 470 Ca 0.16 -1.40 0.00 0.00 0.42 0.00 0.00 52.86 52.04 1k90 s ASN 470 Cb 0.00 -0.11 0.00 0.00 -1.45 0.00 0.00 41.25 39.69 1k90 s ASN 470 CO 0.11 -0.60 0.00 0.79 -3.72 0.00 0.00 177.10 173.69 1k90 n TRP 471 N -0.78 0.00 -4.05 0.43 7.02 -1.24 -4.73 117.44 114.09 1k90 n TRP 471 Ca -0.04 0.00 -0.12 0.00 -1.02 0.00 0.00 57.50 56.32 1k90 n TRP 471 Cb 0.67 0.00 -0.12 0.00 -2.42 0.00 0.00 31.31 29.44 1k90 n TRP 471 CO 0.00 0.00 0.00 -0.98 -2.02 0.00 0.00 177.69 174.69 1k90 s ARG 472 N 0.00 0.46 0.64 -0.99 1.70 0.51 -4.93 118.95 116.34 1k90 s ARG 472 Ca 0.00 -0.68 -0.17 0.00 -0.47 0.00 0.00 55.73 54.41 1k90 s ARG 472 Cb 0.00 -0.20 -0.01 0.00 -0.57 0.00 0.00 34.95 34.17 1k90 s ARG 472 CO 0.00 0.03 1.18 -0.80 -1.08 0.00 0.00 175.30 174.63 1k90 s ASN 473 N -1.44 4.93 -0.37 -2.89 -0.87 -1.26 0.45 114.94 113.49 1k90 s ASN 473 Ca -0.10 2.27 -0.18 0.00 -1.57 0.00 0.00 52.86 53.27 1k90 s ASN 473 Cb -0.09 -2.58 0.00 0.00 -0.02 0.00 0.00 41.25 38.56 1k90 s ASN 473 CO 0.00 -1.76 0.52 -0.63 -2.57 0.00 0.00 177.10 172.66 1k90 s ILE 474 N -1.90 5.00 0.02 0.60 1.01 -0.79 -4.71 121.20 120.43 1k90 s ILE 474 Ca 0.74 0.23 -0.15 0.00 0.00 0.00 0.00 60.65 61.46 1k90 s ILE 474 Cb -0.27 -4.00 -0.06 0.00 0.01 0.00 0.00 42.46 38.14 1k90 s ILE 474 CO 0.38 -0.29 0.44 -1.61 0.00 0.00 0.00 174.94 173.86 1k90 s GLU 475 N 2.42 3.97 0.01 2.79 2.02 -1.26 0.48 118.70 129.13 1k90 s GLU 475 Ca 0.18 0.47 0.08 0.00 0.02 0.00 0.00 54.97 55.72 1k90 s GLU 475 Cb -0.15 -3.20 -0.02 0.00 0.10 0.00 0.00 34.13 30.85 1k90 s GLU 475 CO 0.14 0.67 -0.24 0.14 0.02 0.00 0.00 175.26 175.99 1k90 s VAL 476 N -1.11 1.91 0.44 2.63 -7.23 0.23 0.22 120.40 117.50 1k90 s VAL 476 Ca 0.26 -1.17 -0.25 0.00 -1.81 0.00 0.00 61.98 59.01 1k90 s VAL 476 Cb -0.17 -1.61 -0.08 0.00 0.56 0.00 0.00 36.38 35.07 1k90 s VAL 476 CO 0.15 0.41 1.39 -0.04 -0.31 0.00 0.00 175.10 176.70 1k90 s MET 477 N -0.89 3.75 0.13 4.82 1.00 0.18 -1.34 119.30 126.95 1k90 s MET 477 Ca 0.10 2.33 -0.10 0.00 0.00 0.00 0.00 55.69 58.02 1k90 s MET 477 Cb -0.09 -2.67 0.00 0.00 0.00 0.00 0.00 34.83 32.07 1k90 s MET 477 CO 0.01 -0.73 0.27 0.00 0.00 0.00 0.00 175.02 174.56 1k90 s ALA 478 N -1.23 -0.23 0.32 3.03 0.00 0.18 -1.90 121.76 121.93 1k90 s ALA 478 Ca 0.60 -0.66 0.09 0.00 0.00 0.00 0.00 51.96 51.99 1k90 s ALA 478 Cb -0.42 0.69 -0.05 0.00 0.00 0.00 0.00 23.12 23.34 1k90 s ALA 478 CO 0.54 -0.60 0.01 -1.59 0.00 0.00 0.00 175.76 174.12 1k90 s LYS 479 N -3.90 2.11 0.06 0.00 -2.85 -0.41 0.16 119.74 114.91 1k90 s LYS 479 Ca 0.10 -1.68 -0.22 0.00 -1.00 0.00 0.00 55.97 53.18 1k90 s LYS 479 Cb 0.04 -1.98 -0.06 0.00 -2.06 0.00 0.00 37.83 33.76 1k90 s LYS 479 CO -0.06 0.18 0.66 1.21 0.10 0.00 0.00 175.35 177.44 1k90 s ASN 480 N -3.71 7.12 -0.32 0.03 3.84 -0.43 -0.56 114.94 120.92 1k90 s ASN 480 Ca 0.34 1.34 -0.02 0.00 0.21 0.00 0.00 52.86 54.73 1k90 s ASN 480 Cb -0.02 -2.41 0.11 0.00 -0.55 0.00 0.00 41.25 38.38 1k90 s ASN 480 CO 0.19 0.14 0.13 -0.69 -2.79 0.00 0.00 177.10 174.09 1k90 s VAL 481 N -0.56 0.44 -0.83 -5.21 1.01 0.45 -4.81 120.40 110.90 1k90 s VAL 481 Ca 0.33 -1.26 0.00 0.00 0.00 0.00 0.00 61.98 61.05 1k90 s VAL 481 Cb -0.20 -1.35 0.00 0.00 0.00 0.00 0.00 36.38 34.83 1k90 s VAL 481 CO 0.21 -0.75 0.00 1.21 0.00 0.00 0.00 175.10 175.76 1k90 n GLU 482 N 4.83 -1.33 0.00 2.72 4.07 -1.26 -2.44 120.64 127.22 1k90 n GLU 482 Ca -0.01 0.72 0.00 0.00 -0.06 0.00 0.00 57.16 57.80 1k90 n GLU 482 Cb 0.41 -4.88 0.00 0.00 -0.06 0.00 0.00 31.44 26.90 1k90 n GLU 482 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1k90 n GLY 483 N -0.45 0.69 3.86 8.31 0.00 -1.26 -5.10 105.19 111.25 1k90 n GLY 483 Ca -0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 1k90 n GLY 483 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1k90 s VAL 484 N -1.17 5.21 -0.29 1.61 -7.23 -1.02 -5.03 120.40 112.48 1k90 s VAL 484 Ca 0.00 0.46 -0.28 0.00 -1.81 0.00 0.00 61.98 60.35 1k90 s VAL 484 Cb 0.00 -3.60 0.01 0.00 0.56 0.00 0.00 36.38 33.36 1k90 s VAL 484 CO 0.00 0.48 1.00 -0.76 -0.31 0.00 0.00 175.10 175.51 1k90 s LEU 485 N -1.40 4.02 -0.10 1.32 1.02 -1.26 -0.41 118.68 121.86 1k90 s LEU 485 Ca 0.25 1.08 0.00 0.00 0.02 0.00 0.00 54.13 55.48 1k90 s LEU 485 Cb -0.14 -3.44 -0.02 0.00 0.02 0.00 0.00 46.19 42.60 1k90 s LEU 485 CO 0.13 -0.75 -0.10 -0.54 0.02 0.00 0.00 176.35 175.11 1k90 s LYS 486 N 3.35 3.11 0.75 1.70 1.02 0.27 -4.92 119.74 125.02 1k90 s LYS 486 Ca 0.42 -0.62 -0.16 0.00 0.02 0.00 0.00 55.97 55.64 1k90 s LYS 486 Cb -0.13 -2.63 -0.01 0.00 -0.52 0.00 0.00 37.83 34.54 1k90 s LYS 486 CO 0.12 0.41 0.66 -0.35 -0.92 0.00 0.00 175.35 175.27 1k90 n PRO 487 N 2.96 0.28 -4.39 -1.68 -0.04 -1.26 -1.29 135.00 129.57 1k90 n PRO 487 Ca -0.18 0.14 -0.28 0.00 -0.04 0.00 0.00 63.50 63.14 1k90 n PRO 487 Cb 0.53 -1.96 -0.13 0.00 -0.04 0.00 0.00 33.50 31.90 1k90 n PRO 487 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1k90 s LEU 488 N -1.33 2.37 0.00 1.53 1.43 -0.80 -3.97 118.68 117.91 1k90 s LEU 488 Ca 0.67 -0.77 0.05 0.00 -1.03 0.00 0.00 54.13 53.05 1k90 s LEU 488 Cb -0.33 -1.23 -0.02 0.00 0.03 0.00 0.00 46.19 44.65 1k90 s LEU 488 CO 0.57 0.16 0.17 1.07 0.23 0.00 0.00 176.35 178.55 1k90 n THR 489 N 0.73 0.00 -1.87 5.49 5.66 -0.51 -2.96 114.28 120.82 1k90 n THR 489 Ca -0.16 -1.81 -0.34 0.00 -3.05 0.00 0.00 64.05 58.68 1k90 n THR 489 Cb 0.54 0.79 0.04 0.00 -1.55 0.00 0.00 70.33 70.15 1k90 n THR 489 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1k90 s ALA 490 N -2.93 2.49 0.04 1.79 0.00 -1.25 -2.13 121.76 119.76 1k90 s ALA 490 Ca 0.23 0.72 0.05 0.00 0.00 0.00 0.00 51.96 52.96 1k90 s ALA 490 Cb 0.01 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.73 1k90 s ALA 490 CO 0.17 -1.21 -0.11 0.16 0.00 0.00 0.00 175.76 174.77 1k90 s ASP 491 N -2.18 4.32 -0.01 0.00 -4.77 -1.26 -4.58 116.67 108.19 1k90 s ASP 491 Ca 0.71 -0.28 -0.30 0.00 -3.30 0.00 0.00 52.55 49.38 1k90 s ASP 491 Cb -0.24 -0.88 -0.07 0.00 -1.09 0.00 0.00 42.92 40.64 1k90 s ASP 491 CO 0.37 0.25 1.75 -0.31 0.70 0.00 0.00 175.17 177.94 1k90 s TYR 492 N -1.02 1.83 -0.26 2.11 2.02 0.13 -4.96 117.35 117.20 1k90 s TYR 492 Ca 0.17 0.01 -0.07 0.00 -0.37 0.00 0.00 57.07 56.81 1k90 s TYR 492 Cb -0.11 -4.03 -0.01 0.00 -0.40 0.00 0.00 41.96 37.41 1k90 s TYR 492 CO 0.08 -4.39 0.05 -0.51 -1.57 0.00 0.00 175.55 169.21 1k90 s ASP 493 N 3.54 4.98 0.17 2.29 -0.00 -1.26 -4.35 116.67 122.04 1k90 s ASP 493 Ca 0.78 -0.42 -0.30 0.00 -0.00 0.00 0.00 52.55 52.60 1k90 s ASP 493 Cb -0.37 -1.87 -0.09 0.00 -0.00 0.00 0.00 42.92 40.59 1k90 s ASP 493 CO 0.34 -0.09 1.35 -0.76 -0.00 0.00 0.00 175.17 176.00 1k90 s LEU 494 N 1.55 4.40 -0.05 1.23 1.02 -1.26 0.30 118.68 125.86 1k90 s LEU 494 Ca 0.05 2.39 0.11 0.00 0.02 0.00 0.00 54.13 56.69 1k90 s LEU 494 Cb -0.16 -3.60 -0.23 0.00 0.02 0.00 0.00 46.19 42.22 1k90 s LEU 494 CO 0.02 -0.59 0.62 0.33 0.02 0.00 0.00 176.35 176.76 1k90 n PHE 495 N 3.10 1.02 -3.55 0.29 -0.00 0.38 -0.17 117.46 118.54 1k90 n PHE 495 Ca 0.08 0.35 -0.07 0.00 -0.00 0.00 0.00 57.45 57.81 1k90 n PHE 495 Cb 0.42 -1.18 -0.02 0.00 -0.00 0.00 0.00 39.48 38.70 1k90 n PHE 495 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1k90 s ALA 496 N -2.59 -1.93 -0.26 3.13 0.00 -0.55 -3.22 121.76 116.33 1k90 s ALA 496 Ca -0.07 1.31 -0.03 0.00 0.00 0.00 0.00 51.96 53.18 1k90 s ALA 496 Cb 0.08 0.06 0.08 0.00 0.00 0.00 0.00 23.12 23.34 1k90 s ALA 496 CO 0.82 -0.60 0.08 -0.51 0.00 0.00 0.00 175.76 175.55 1k90 s LEU 497 N -2.19 1.33 -0.52 0.00 1.43 -1.26 -1.47 118.68 116.01 1k90 s LEU 497 Ca 0.06 -1.20 -0.05 0.00 -1.03 0.00 0.00 54.13 51.90 1k90 s LEU 497 Cb -0.01 -0.60 0.14 0.00 0.03 0.00 0.00 46.19 45.74 1k90 s LEU 497 CO -0.06 -0.38 0.35 0.00 0.23 0.00 0.00 176.35 176.49 1k90 s ALA 498 N 1.85 3.41 0.44 4.21 0.00 -0.37 -4.87 121.76 126.44 1k90 s ALA 498 Ca 0.05 -2.82 -0.07 0.00 0.00 0.00 0.00 51.96 49.13 1k90 s ALA 498 Cb -0.17 -2.66 -0.05 0.00 0.00 0.00 0.00 23.12 20.25 1k90 s ALA 498 CO -0.21 -1.95 0.76 -1.25 0.00 0.00 0.00 175.76 173.10 1k90 s PRO 499 N 0.75 3.62 0.46 0.00 0.04 -1.21 0.54 135.00 139.19 1k90 s PRO 499 Ca 0.11 0.25 -0.20 0.00 0.04 0.00 0.00 61.00 61.20 1k90 s PRO 499 Cb -0.22 -2.41 -0.10 0.00 0.04 0.00 0.00 34.50 31.81 1k90 s PRO 499 CO -0.03 -0.11 0.98 -1.54 0.04 0.00 0.00 177.00 176.33 1k90 s SER 500 N -3.75 6.73 0.45 6.66 1.04 -0.72 0.76 113.70 124.86 1k90 s SER 500 Ca 0.48 1.73 0.19 0.00 0.48 0.00 0.00 55.95 58.83 1k90 s SER 500 Cb -0.10 -2.54 1.15 0.00 0.10 0.00 0.00 66.02 64.62 1k90 s SER 500 CO 0.39 -0.51 1.91 -0.07 0.98 0.00 0.00 173.24 175.95 1k90 h LEU 501 N 1.66 0.30 -1.46 2.42 -0.00 -1.83 0.40 115.31 116.80 1k90 h LEU 501 Ca -0.49 0.02 -0.05 0.00 -0.00 0.00 0.00 57.88 57.37 1k90 h LEU 501 Cb 1.19 -0.04 -0.01 0.00 -0.00 0.00 0.00 40.66 41.80 1k90 h LEU 501 CO 0.60 0.15 -0.16 0.74 -0.00 0.00 0.00 178.44 179.77 1k90 h THR 502 N 0.32 1.17 0.00 0.22 2.02 -1.91 -1.22 112.91 113.51 1k90 h THR 502 Ca 0.38 -0.77 -0.16 0.00 0.77 0.00 0.00 66.41 66.64 1k90 h THR 502 Cb 1.02 1.29 -0.02 0.00 -1.74 0.00 0.00 68.15 68.69 1k90 h THR 502 CO -0.11 0.23 -0.74 -0.08 0.37 0.00 0.00 175.52 175.20 1k90 h GLU 503 N 0.14 0.00 -0.23 6.66 4.57 -0.53 -3.24 114.58 121.95 1k90 h GLU 503 Ca 0.03 0.00 -0.18 0.00 -1.18 0.00 0.00 59.36 58.03 1k90 h GLU 503 Cb 0.38 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.97 1k90 h GLU 503 CO 0.02 0.74 -0.55 0.82 -1.18 0.00 0.00 179.01 178.87 1k90 h ILE 504 N 0.00 1.29 -0.62 2.32 1.08 -0.61 -3.24 117.51 117.73 1k90 h ILE 504 Ca -0.01 -1.75 0.12 0.00 -0.39 0.00 0.00 64.86 62.84 1k90 h ILE 504 Cb 1.33 1.79 -0.12 0.00 -3.07 0.00 0.00 36.82 36.75 1k90 h ILE 504 CO 0.10 0.56 -0.16 0.50 -0.69 0.00 0.00 178.15 178.45 1k90 h LYS 505 N 0.52 -0.01 -0.59 2.37 1.63 -1.34 0.65 116.57 119.81 1k90 h LYS 505 Ca -0.00 0.00 0.17 0.00 -0.85 0.00 0.00 60.65 59.97 1k90 h LYS 505 Cb 1.16 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.77 1k90 h LYS 505 CO 0.12 -0.00 0.66 0.87 -3.45 0.00 0.00 179.45 177.65 1k90 h LYS 506 N -0.01 0.00 -0.07 1.90 1.57 -1.65 1.35 116.57 119.67 1k90 h LYS 506 Ca 0.30 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.90 1k90 h LYS 506 Cb 0.46 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 1k90 h LYS 506 CO -0.65 0.00 -0.71 0.37 -0.57 0.00 0.00 179.45 177.90 1k90 h GLN 507 N 0.00 0.35 -6.31 3.15 5.75 0.20 -3.43 115.11 114.81 1k90 h GLN 507 Ca 0.28 -0.28 -0.55 0.00 -0.15 0.00 0.00 58.65 57.95 1k90 h GLN 507 Cb 1.60 0.06 -0.02 0.00 1.07 0.00 0.00 27.48 30.19 1k90 h GLN 507 CO -0.00 0.92 0.75 0.42 -2.65 0.00 0.00 178.83 178.26 1k90 s ILE 508 N -3.62 4.14 0.22 2.39 1.01 0.46 -4.99 121.20 120.82 1k90 s ILE 508 Ca -0.05 1.47 -0.31 0.00 0.00 0.00 0.00 60.65 61.76 1k90 s ILE 508 Cb 0.11 -3.95 -0.11 0.00 0.01 0.00 0.00 42.46 38.52 1k90 s ILE 508 CO 0.83 -0.01 1.58 -2.16 0.00 0.00 0.00 174.94 175.17 1k90 s PRO 509 N 2.36 4.19 -0.38 2.79 0.04 -1.26 -4.83 135.00 137.90 1k90 s PRO 509 Ca 0.57 2.45 -0.03 0.00 0.04 0.00 0.00 61.00 64.04 1k90 s PRO 509 Cb -0.26 -3.10 -0.04 0.00 0.04 0.00 0.00 34.50 31.14 1k90 s PRO 509 CO 0.22 -0.60 1.60 0.94 0.04 0.00 0.00 177.00 179.20 1k90 n GLN 510 N 3.17 1.05 0.18 4.56 -0.06 -1.26 -2.36 117.38 122.65 1k90 n GLN 510 Ca 0.11 -0.85 0.00 0.00 -2.00 0.00 0.00 57.00 54.26 1k90 n GLN 510 Cb 0.38 -2.10 0.00 0.00 -4.06 0.00 0.00 30.24 24.46 1k90 n GLN 510 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 1k90 n LYS 511 N 4.08 0.00 -0.30 3.69 4.76 -1.26 -4.78 118.16 124.34 1k90 n LYS 511 Ca 0.22 0.00 0.04 0.00 -2.87 0.00 0.00 58.31 55.70 1k90 n LYS 511 Cb 0.13 0.00 0.24 0.00 -1.84 0.00 0.00 35.03 33.56 1k90 n LYS 511 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1k90 h GLU 512 N 0.00 1.01 -0.12 1.97 5.08 -1.86 0.20 114.58 120.86 1k90 h GLU 512 Ca 0.00 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1k90 h GLU 512 Cb 0.00 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.02 1k90 h GLU 512 CO 0.00 0.67 -0.01 2.35 -1.00 0.00 0.00 179.01 181.02 1k90 h TRP 513 N 1.04 0.23 -0.82 4.33 7.01 -1.88 -2.05 115.95 123.80 1k90 h TRP 513 Ca 0.39 -0.04 0.00 0.00 2.11 0.00 0.00 58.89 61.35 1k90 h TRP 513 Cb 0.19 -0.06 -0.04 0.00 -2.10 0.00 0.00 29.16 27.15 1k90 h TRP 513 CO -0.00 0.47 0.53 -0.44 -2.79 0.00 0.00 178.44 176.20 1k90 h ASP 514 N -0.07 0.96 -0.47 2.65 3.32 -1.63 0.67 116.42 121.86 1k90 h ASP 514 Ca 0.03 -0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.06 1k90 h ASP 514 Cb 0.38 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.66 1k90 h ASP 514 CO 0.01 0.71 0.28 0.50 -1.72 0.00 0.00 179.24 179.02 1k90 h LYS 515 N 1.12 0.55 0.62 3.56 3.64 -0.53 -1.29 116.57 124.24 1k90 h LYS 515 Ca 0.30 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.62 1k90 h LYS 515 Cb -0.10 -0.12 0.01 0.00 -0.41 0.00 0.00 32.23 31.61 1k90 h LYS 515 CO -0.06 0.36 -0.30 0.28 -2.27 0.00 0.00 179.45 177.46 1k90 h VAL 516 N 0.56 0.00 -0.93 2.00 2.07 -0.83 -3.20 116.25 115.93 1k90 h VAL 516 Ca 0.18 -0.18 0.22 0.00 0.82 0.00 0.00 66.70 67.75 1k90 h VAL 516 Cb 0.00 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 29.60 1k90 h VAL 516 CO -0.08 0.00 -0.07 0.58 0.02 0.00 0.00 177.57 178.02 1k90 h VAL 517 N -1.02 0.09 -1.43 2.57 2.07 -0.85 -2.93 116.25 114.75 1k90 h VAL 517 Ca -0.09 -0.01 -0.74 0.00 0.82 0.00 0.00 66.70 66.69 1k90 h VAL 517 Cb 0.64 0.06 -0.14 0.00 -1.52 0.00 0.00 31.29 30.33 1k90 h VAL 517 CO 0.14 0.00 1.96 0.59 0.02 0.00 0.00 177.57 180.28 1k90 n ASN 518 N -5.50 4.98 -3.84 0.57 5.03 -0.49 -4.93 115.26 111.08 1k90 n ASN 518 Ca 0.19 -3.02 -0.18 0.00 0.87 0.00 0.00 54.58 52.44 1k90 n ASN 518 Cb 0.61 -1.55 -0.16 0.00 -1.02 0.00 0.00 39.78 37.65 1k90 n ASN 518 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1k90 s THR 519 N 1.44 0.28 0.11 3.41 2.01 -1.11 -4.86 115.64 116.92 1k90 s THR 519 Ca 0.43 0.02 -0.33 0.00 0.31 0.00 0.00 61.69 62.12 1k90 s THR 519 Cb 0.06 -0.35 -0.12 0.00 0.01 0.00 0.00 72.50 72.10 1k90 s THR 519 CO -0.00 0.16 1.58 -0.65 -0.69 0.00 0.00 174.62 175.02 1k90 h PRO 520 N 7.20 -0.69 -7.04 4.92 0.11 -1.92 -3.43 132.00 131.16 1k90 h PRO 520 Ca -0.42 0.05 -0.55 0.00 0.11 0.00 0.00 66.00 65.19 1k90 h PRO 520 Cb 1.14 0.16 0.13 0.00 0.11 0.00 0.00 31.00 32.54 1k90 h PRO 520 CO 0.48 -0.46 0.63 1.21 -0.21 0.00 0.00 178.00 179.65 1k90 s ASN 521 N -4.67 5.38 -0.02 -2.05 3.84 -1.26 -4.95 114.94 111.21 1k90 s ASN 521 Ca -0.16 2.81 -0.06 0.00 0.21 0.00 0.00 52.86 55.65 1k90 s ASN 521 Cb 0.07 -2.64 -0.29 0.00 -0.55 0.00 0.00 41.25 37.84 1k90 s ASN 521 CO 0.62 -1.50 0.78 0.77 -2.79 0.00 0.00 177.10 174.98 1k90 h SER 522 N 1.63 0.48 0.00 -4.21 4.64 -2.00 -3.29 113.55 110.81 1k90 h SER 522 Ca -0.51 -0.70 -0.00 0.00 -0.47 0.00 0.00 61.79 60.11 1k90 h SER 522 Cb 1.29 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1k90 h SER 522 CO 0.58 1.59 -0.00 0.25 -0.87 0.00 0.00 176.83 178.37 1k90 h LEU 523 N 0.08 -0.00 -2.14 5.97 5.85 -1.97 -2.33 115.31 120.77 1k90 h LEU 523 Ca -0.29 -0.79 0.07 0.00 0.84 0.00 0.00 57.88 57.72 1k90 h LEU 523 Cb 2.05 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 43.08 1k90 h LEU 523 CO 0.17 0.80 0.25 -0.08 -0.34 0.00 0.00 178.44 179.24 1k90 h GLU 524 N -0.81 0.00 0.20 1.25 4.57 -1.99 -0.45 114.58 117.35 1k90 h GLU 524 Ca -0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1k90 h GLU 524 Cb 0.79 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.39 1k90 h GLU 524 CO 0.00 0.00 -0.10 -0.22 -1.18 0.00 0.00 179.01 177.51 1k90 h LYS 525 N 0.00 -0.26 -0.84 1.92 3.64 -1.62 -2.33 116.57 117.08 1k90 h LYS 525 Ca 0.12 0.02 0.18 0.00 -1.27 0.00 0.00 60.65 59.70 1k90 h LYS 525 Cb 0.63 0.06 -0.16 0.00 -0.41 0.00 0.00 32.23 32.35 1k90 h LYS 525 CO -0.00 -0.17 -0.15 0.37 -2.27 0.00 0.00 179.45 177.22 1k90 h GLN 526 N -0.64 0.02 0.72 1.90 4.15 -0.82 0.20 115.11 120.63 1k90 h GLN 526 Ca -0.03 -0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.36 1k90 h GLN 526 Cb 0.21 -0.00 0.01 0.00 0.21 0.00 0.00 27.48 27.90 1k90 h GLN 526 CO 0.05 0.01 -0.35 -0.22 -1.93 0.00 0.00 178.83 176.39 1k90 h LYS 527 N 0.02 -0.93 0.00 1.69 3.64 -1.22 -1.38 116.57 118.39 1k90 h LYS 527 Ca 0.42 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.87 1k90 h LYS 527 Cb 0.69 0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 1k90 h LYS 527 CO -0.84 -0.62 0.23 0.78 -2.27 0.00 0.00 179.45 176.72 1k90 h GLY 528 N -0.97 0.00 1.19 5.01 0.00 -0.50 0.17 103.07 107.97 1k90 h GLY 528 Ca -0.10 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 46.92 1k90 h GLY 528 CO 0.16 0.00 -1.34 -2.08 0.00 0.00 0.00 176.54 173.28 1k90 h VAL 529 N 0.00 1.31 -0.40 4.60 2.07 0.29 -2.85 116.25 121.27 1k90 h VAL 529 Ca 0.00 -2.60 -0.16 0.00 0.82 0.00 0.00 66.70 64.76 1k90 h VAL 529 Cb 0.45 2.96 -0.01 0.00 -1.52 0.00 0.00 31.29 33.17 1k90 h VAL 529 CO 0.00 0.78 -0.37 0.74 0.02 0.00 0.00 177.57 178.74 1k90 h THR 530 N 0.13 1.27 -0.85 2.57 2.02 0.27 -2.42 112.91 115.90 1k90 h THR 530 Ca -0.23 -1.54 0.00 0.00 0.77 0.00 0.00 66.41 65.42 1k90 h THR 530 Cb 2.04 1.35 -0.04 0.00 -1.74 0.00 0.00 68.15 69.75 1k90 h THR 530 CO 0.25 0.52 0.55 0.78 0.37 0.00 0.00 175.52 177.99 1k90 h ASN 531 N 0.78 0.99 -0.71 4.18 -0.26 -1.17 0.36 115.58 119.75 1k90 h ASN 531 Ca 0.07 -0.03 -0.02 0.00 -0.56 0.00 0.00 56.30 55.75 1k90 h ASN 531 Cb 0.96 -0.25 -0.03 0.00 -1.06 0.00 0.00 38.32 37.94 1k90 h ASN 531 CO 0.09 0.73 0.36 -0.07 -1.06 0.00 0.00 177.43 177.48 1k90 h LEU 532 N 1.16 0.93 -0.16 1.61 3.38 -1.29 0.32 115.31 121.26 1k90 h LEU 532 Ca 0.31 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 1k90 h LEU 532 Cb -0.11 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.39 1k90 h LEU 532 CO -0.06 0.78 -0.02 0.25 0.09 0.00 0.00 178.44 179.48 1k90 h LEU 533 N 1.03 0.30 0.48 1.67 5.85 -0.47 -1.75 115.31 122.41 1k90 h LEU 533 Ca 0.25 -0.34 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 1k90 h LEU 533 Cb 0.09 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.05 1k90 h LEU 533 CO -0.03 0.57 -0.23 0.40 -0.34 0.00 0.00 178.44 178.80 1k90 h ILE 534 N 0.03 0.51 -0.98 4.05 2.04 0.02 0.75 117.51 123.92 1k90 h ILE 534 Ca 0.04 -0.21 0.07 0.00 1.00 0.00 0.00 64.86 65.77 1k90 h ILE 534 Cb 0.42 0.60 -0.07 0.00 -0.74 0.00 0.00 36.82 37.04 1k90 h ILE 534 CO 0.01 0.04 0.64 0.50 0.00 0.00 0.00 178.15 179.33 1k90 h LYS 535 N -0.77 1.09 -0.01 2.37 3.64 -0.42 1.16 116.57 123.64 1k90 h LYS 535 Ca -0.07 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 1k90 h LYS 535 Cb 0.55 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1k90 h LYS 535 CO 0.11 0.72 -0.52 0.66 -2.27 0.00 0.00 179.45 178.15 1k90 n TYR 536 N -4.51 0.00 0.05 1.91 4.01 -0.66 -4.65 117.16 113.32 1k90 n TYR 536 Ca 0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.89 1k90 n TYR 536 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.24 1k90 n TYR 536 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1k90 n GLY 537 N 1.25 -0.07 0.10 2.72 0.00 0.25 -4.83 105.19 104.62 1k90 n GLY 537 Ca 0.05 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.88 1k90 n GLY 537 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1k90 h ILE 538 N 0.00 1.57 -1.76 -0.61 5.03 -0.57 -3.47 117.51 117.70 1k90 h ILE 538 Ca 0.00 -2.48 -0.67 0.00 -0.12 0.00 0.00 64.86 61.59 1k90 h ILE 538 Cb 0.17 3.23 0.05 0.00 -3.03 0.00 0.00 36.82 37.24 1k90 h ILE 538 CO 0.00 0.69 0.52 1.21 -0.68 0.00 0.00 178.15 179.89 1k90 n GLU 539 N -4.25 1.29 -4.41 2.37 2.13 0.39 -4.95 120.64 113.22 1k90 n GLU 539 Ca -0.13 0.47 -0.24 0.00 0.66 0.00 0.00 57.16 57.92 1k90 n GLU 539 Cb 0.73 -2.13 -0.11 0.00 0.27 0.00 0.00 31.44 30.21 1k90 n GLU 539 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1k90 s ARG 540 N 0.70 1.51 0.03 5.31 0.52 -1.26 -4.48 118.95 121.27 1k90 s ARG 540 Ca 0.84 -1.60 -0.02 0.00 -0.52 0.00 0.00 55.73 54.43 1k90 s ARG 540 Cb -0.92 -1.62 -0.02 0.00 0.52 0.00 0.00 34.95 32.91 1k90 s ARG 540 CO 0.46 0.32 0.01 0.15 0.02 0.00 0.00 175.30 176.26 1k90 s LYS 541 N -3.14 0.44 -0.18 3.54 -0.14 -1.05 -4.93 119.74 114.28 1k90 s LYS 541 Ca 0.23 -0.74 -0.29 0.00 -1.36 0.00 0.00 55.97 53.81 1k90 s LYS 541 Cb -0.05 0.16 -0.00 0.00 -1.68 0.00 0.00 37.83 36.26 1k90 s LYS 541 CO 0.11 -0.09 1.01 -1.25 -0.76 0.00 0.00 175.35 174.37 1k90 s PRO 542 N -2.18 4.32 0.41 -1.68 0.04 -1.26 -1.87 135.00 132.78 1k90 s PRO 542 Ca -0.09 1.34 0.01 0.00 0.04 0.00 0.00 61.00 62.29 1k90 s PRO 542 Cb -0.04 -3.60 -0.01 0.00 0.04 0.00 0.00 34.50 30.88 1k90 s PRO 542 CO -0.03 -0.49 0.61 0.34 0.04 0.00 0.00 177.00 177.47 1k90 s ASP 543 N 1.16 5.99 0.36 6.66 2.15 -0.40 -4.98 116.67 127.61 1k90 s ASP 543 Ca 0.45 0.29 0.18 0.00 0.43 0.00 0.00 52.55 53.90 1k90 s ASP 543 Cb -0.16 -1.66 0.57 0.00 -0.30 0.00 0.00 42.92 41.36 1k90 s ASP 543 CO 0.11 -0.54 1.68 0.77 -0.17 0.00 0.00 175.17 177.01 1k90 h SER 544 N 0.56 0.00 0.00 -0.34 4.64 -1.96 -3.37 113.55 113.07 1k90 h SER 544 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1k90 h SER 544 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1k90 h SER 544 CO 0.58 0.40 -0.00 0.35 -0.87 0.00 0.00 176.83 177.29 1k90 n THR 545 N -3.47 0.00 -0.44 2.95 -2.24 -1.26 -4.85 114.28 104.98 1k90 n THR 545 Ca 0.00 -0.03 0.09 0.00 -2.27 0.00 0.00 64.05 61.84 1k90 n THR 545 Cb 0.55 0.95 0.28 0.00 -2.10 0.00 0.00 70.33 70.02 1k90 n THR 545 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1k90 n LYS 546 N -0.06 3.08 0.00 -0.78 5.02 -1.26 -4.35 118.16 119.81 1k90 n LYS 546 Ca 0.00 -2.58 0.00 0.00 -2.02 0.00 0.00 58.31 53.71 1k90 n LYS 546 Cb 0.00 -1.60 0.00 0.00 -0.02 0.00 0.00 35.03 33.41 1k90 n LYS 546 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1k90 n GLY 547 N 1.04 -1.08 3.59 0.72 0.00 -1.26 -0.23 105.19 107.98 1k90 n GLY 547 Ca 0.21 -1.20 -0.42 0.00 0.00 0.00 0.00 46.02 44.61 1k90 n GLY 547 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k90 s THR 548 N 0.00 4.87 0.12 2.61 2.01 -1.26 -1.27 115.64 122.72 1k90 s THR 548 Ca 0.00 0.88 -0.18 0.00 0.31 0.00 0.00 61.69 62.70 1k90 s THR 548 Cb 0.00 -4.07 0.04 0.00 0.01 0.00 0.00 72.50 68.48 1k90 s THR 548 CO 0.00 -0.23 0.44 -1.48 -0.69 0.00 0.00 174.62 172.66 1k90 s LEU 549 N 2.76 0.23 0.96 4.42 0.05 -0.78 -4.48 118.68 121.84 1k90 s LEU 549 Ca 0.27 -0.21 -0.15 0.00 0.05 0.00 0.00 54.13 54.09 1k90 s LEU 549 Cb -0.14 1.96 0.19 0.00 -2.05 0.00 0.00 46.19 46.14 1k90 s LEU 549 CO 0.13 -0.84 1.26 -0.94 -0.55 0.00 0.00 176.35 175.41 1k90 s SER 550 N -2.67 3.11 0.14 1.48 1.04 -1.26 -2.54 113.70 112.99 1k90 s SER 550 Ca 0.01 0.44 -0.02 0.00 0.48 0.00 0.00 55.95 56.87 1k90 s SER 550 Cb 0.01 -0.62 -0.07 0.00 0.10 0.00 0.00 66.02 65.44 1k90 s SER 550 CO -0.11 -2.75 1.33 0.78 0.98 0.00 0.00 173.24 173.47 1k90 h ASN 551 N -1.65 0.41 0.91 7.02 2.35 -1.94 -2.18 115.58 120.51 1k90 h ASN 551 Ca -0.45 -0.34 -0.07 0.00 -0.55 0.00 0.00 56.30 54.90 1k90 h ASN 551 Cb 1.26 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 39.50 1k90 h ASN 551 CO 0.44 1.14 -0.31 4.11 -1.65 0.00 0.00 177.43 181.16 1k90 h TRP 552 N 0.17 0.00 -0.22 1.19 5.08 -1.94 -2.25 115.95 117.98 1k90 h TRP 552 Ca -0.07 0.00 -0.20 0.00 1.08 0.00 0.00 58.89 59.70 1k90 h TRP 552 Cb 1.56 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.73 1k90 h TRP 552 CO 0.05 0.31 -0.66 1.96 -1.28 0.00 0.00 178.44 178.82 1k90 h GLN 553 N 0.00 0.82 -0.58 0.12 4.20 -1.91 -1.43 115.11 116.34 1k90 h GLN 553 Ca -0.00 -0.59 0.03 0.00 0.06 0.00 0.00 58.65 58.15 1k90 h GLN 553 Cb 0.86 0.10 -0.04 0.00 0.30 0.00 0.00 27.48 28.69 1k90 h GLN 553 CO 0.04 1.21 0.34 0.87 -0.67 0.00 0.00 178.83 180.62 1k90 h LYS 554 N 0.60 0.65 -0.56 1.46 1.57 -1.03 -0.04 116.57 119.21 1k90 h LYS 554 Ca -0.02 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1k90 h LYS 554 Cb 1.28 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 33.41 1k90 h LYS 554 CO 0.14 0.43 0.37 1.96 -0.57 0.00 0.00 179.45 181.77 1k90 h GLN 555 N 0.67 0.75 -0.09 3.15 4.20 -1.28 -1.90 115.11 120.59 1k90 h GLN 555 Ca 0.24 -0.05 0.04 0.00 0.06 0.00 0.00 58.65 58.94 1k90 h GLN 555 Cb 0.06 -0.17 -0.05 0.00 0.30 0.00 0.00 27.48 27.63 1k90 h GLN 555 CO -0.12 0.50 -0.20 1.98 -0.67 0.00 0.00 178.83 180.33 1k90 h MET 556 N 0.76 -0.26 -0.22 1.46 4.05 -0.19 0.14 114.93 120.67 1k90 h MET 556 Ca 0.21 0.02 0.06 0.00 -0.28 0.00 0.00 59.70 59.70 1k90 h MET 556 Cb -0.07 0.06 -0.07 0.00 -0.80 0.00 0.00 31.60 30.72 1k90 h MET 556 CO -0.04 -0.17 -0.25 -0.07 0.23 0.00 0.00 176.91 176.60 1k90 h LEU 557 N -0.27 -0.79 -0.22 3.39 4.07 -0.65 0.35 115.31 121.18 1k90 h LEU 557 Ca 0.09 0.14 0.05 0.00 0.08 0.00 0.00 57.88 58.24 1k90 h LEU 557 Cb 0.40 0.37 -0.05 0.00 1.08 0.00 0.00 40.66 42.46 1k90 h LEU 557 CO -0.25 -0.29 -0.09 0.44 -1.08 0.00 0.00 178.44 177.17 1k90 h ASP 558 N -0.27 -0.31 -0.18 -0.43 5.19 -0.87 0.37 116.42 119.92 1k90 h ASP 558 Ca 0.13 0.08 0.05 0.00 -0.62 0.00 0.00 57.03 56.67 1k90 h ASP 558 Cb 0.47 0.18 -0.05 0.00 0.18 0.00 0.00 39.33 40.10 1k90 h ASP 558 CO -0.38 -0.12 -0.17 0.03 -3.12 0.00 0.00 179.24 175.49 1k90 h ARG 559 N -0.06 -0.18 -0.18 3.56 2.47 0.34 0.58 114.38 120.91 1k90 h ARG 559 Ca 0.12 0.01 0.04 0.00 -1.26 0.00 0.00 59.98 58.89 1k90 h ARG 559 Cb 0.23 0.04 -0.05 0.00 -1.65 0.00 0.00 29.97 28.54 1k90 h ARG 559 CO -0.26 -0.12 -0.10 -0.07 0.56 0.00 0.00 179.97 179.98 1k90 h LEU 560 N -0.18 -0.34 -1.04 3.04 3.38 0.66 0.39 115.31 121.23 1k90 h LEU 560 Ca 0.11 0.08 -0.08 0.00 0.09 0.00 0.00 57.88 58.09 1k90 h LEU 560 Cb 0.35 0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 1k90 h LEU 560 CO -0.29 -0.13 -0.15 0.78 0.09 0.00 0.00 178.44 178.74 1k90 h ASN 561 N -0.09 0.50 -0.56 -0.43 2.35 0.32 -1.69 115.58 115.97 1k90 h ASN 561 Ca 0.10 -0.14 -0.08 0.00 -0.55 0.00 0.00 56.30 55.64 1k90 h ASN 561 Cb 0.24 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 1k90 h ASN 561 CO -0.24 0.67 0.06 -0.08 -1.65 0.00 0.00 177.43 176.20 1k90 h GLU 562 N 0.47 0.99 0.20 0.81 4.81 0.98 -1.12 114.58 121.72 1k90 h GLU 562 Ca 0.08 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 1k90 h GLU 562 Cb 0.53 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 1k90 h GLU 562 CO 0.03 0.93 -0.18 0.00 -0.73 0.00 0.00 179.01 179.06 1k90 h ALA 563 N 1.14 -0.38 -0.21 2.92 0.00 0.62 -2.45 119.26 120.90 1k90 h ALA 563 Ca 0.18 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1k90 h ALA 563 Cb 0.45 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1k90 h ALA 563 CO 0.02 -0.74 0.06 -0.39 0.00 0.00 0.00 179.25 178.20 1k90 h VAL 564 N -0.41 1.19 -0.87 0.00 -1.51 -1.21 -2.69 116.25 110.75 1k90 h VAL 564 Ca -0.00 -0.62 0.23 0.00 -1.23 0.00 0.00 66.70 65.08 1k90 h VAL 564 Cb 0.38 1.21 -0.05 0.00 -2.13 0.00 0.00 31.29 30.70 1k90 h VAL 564 CO -0.03 0.19 0.60 0.11 -1.23 0.00 0.00 177.57 177.21 1k90 h LYS 565 N 0.16 0.18 -0.16 5.19 1.57 -1.13 0.39 116.57 122.77 1k90 h LYS 565 Ca 0.07 -0.01 -0.15 0.00 -1.87 0.00 0.00 60.65 58.69 1k90 h LYS 565 Cb 0.24 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1k90 h LYS 565 CO -0.00 0.12 -0.52 -0.92 -0.57 0.00 0.00 179.45 177.55 1k90 h TYR 566 N 0.18 0.57 0.00 -1.35 3.20 -1.11 -2.64 116.97 115.82 1k90 h TYR 566 Ca 0.43 -0.19 0.00 0.00 3.14 0.00 0.00 58.73 62.11 1k90 h TYR 566 Cb 1.42 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 39.58 1k90 h TYR 566 CO -0.00 0.88 0.00 0.25 -1.64 0.00 0.00 178.16 177.65 1k90 n THR 567 N -3.96 0.00 0.00 1.81 -2.24 0.14 -4.84 114.28 105.19 1k90 n THR 567 Ca -0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1k90 n THR 567 Cb 0.58 -0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 1k90 n THR 567 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k90 n GLY 568 N 0.28 2.83 3.67 3.38 0.00 -1.00 -5.06 105.19 109.29 1k90 n GLY 568 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 1k90 n GLY 568 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1k90 n TYR 569 N -1.65 2.05 -0.14 1.61 9.36 -1.18 -4.91 117.16 122.30 1k90 n TYR 569 Ca 0.00 0.52 0.00 0.00 3.32 0.00 0.00 57.90 61.74 1k90 n TYR 569 Cb 0.00 -2.41 0.00 0.00 -0.63 0.00 0.00 39.34 36.30 1k90 n TYR 569 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 1k90 n THR 570 N 1.17 0.63 0.64 2.97 -2.24 -1.26 -4.45 114.28 111.74 1k90 n THR 570 Ca 0.09 -0.74 0.04 0.00 -2.27 0.00 0.00 64.05 61.17 1k90 n THR 570 Cb 0.33 0.72 0.15 0.00 -2.10 0.00 0.00 70.33 69.43 1k90 n THR 570 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k90 n GLY 571 N -0.32 1.20 3.30 3.38 0.00 -1.18 -4.99 105.19 106.59 1k90 n GLY 571 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1k90 n GLY 571 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k90 n GLY 572 N 0.68 0.72 3.81 -0.02 0.00 -1.26 -4.36 105.19 104.77 1k90 n GLY 572 Ca 0.11 -1.25 -0.33 0.00 0.00 0.00 0.00 46.02 44.54 1k90 n GLY 572 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1k90 s ASP 573 N -4.00 6.66 -0.00 1.61 1.01 -1.26 -4.83 116.67 115.85 1k90 s ASP 573 Ca 0.00 1.80 0.03 0.00 0.71 0.00 0.00 52.55 55.08 1k90 s ASP 573 Cb 0.00 -2.55 -0.03 0.00 1.01 0.00 0.00 42.92 41.35 1k90 s ASP 573 CO 0.00 -0.56 0.08 0.55 0.21 0.00 0.00 175.17 175.45 1k90 n VAL 574 N -0.81 0.00 -4.07 -1.27 3.14 -1.26 -4.22 118.33 109.84 1k90 n VAL 574 Ca 0.08 -0.22 -0.32 0.00 -2.96 0.00 0.00 64.34 60.92 1k90 n VAL 574 Cb 0.53 0.67 -0.15 0.00 -1.06 0.00 0.00 33.84 33.83 1k90 n VAL 574 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1k90 s VAL 575 N -1.79 2.03 -0.97 1.55 1.01 -1.26 -0.69 120.40 120.27 1k90 s VAL 575 Ca -0.00 -1.31 0.08 0.00 0.00 0.00 0.00 61.98 60.75 1k90 s VAL 575 Cb 0.02 -2.05 0.11 0.00 0.00 0.00 0.00 36.38 34.46 1k90 s VAL 575 CO 0.10 0.17 0.87 0.59 0.00 0.00 0.00 175.10 176.84 1k90 n ASN 576 N 4.54 1.94 -3.60 3.32 3.02 -1.26 -4.91 115.26 118.31 1k90 n ASN 576 Ca -0.16 -1.51 -0.07 0.00 -0.03 0.00 0.00 54.58 52.81 1k90 n ASN 576 Cb 0.45 -0.04 -0.02 0.00 -0.61 0.00 0.00 39.78 39.56 1k90 n ASN 576 CO 0.00 0.00 0.00 -1.38 -2.62 0.00 0.00 177.26 173.26 1k90 s HIS 577 N -0.77 -0.29 0.93 3.10 -3.43 -1.26 -4.41 115.29 109.16 1k90 s HIS 577 Ca 0.12 0.07 -0.16 0.00 -0.80 0.00 0.00 55.06 54.28 1k90 s HIS 577 Cb 0.08 0.59 0.02 0.00 -1.43 0.00 0.00 32.58 31.84 1k90 s HIS 577 CO 0.11 -0.73 -0.33 0.41 -2.00 0.00 0.00 174.74 172.20 1k90 n GLY 578 N -0.35 -2.35 3.84 -1.38 0.00 0.68 -4.64 105.19 100.99 1k90 n GLY 578 Ca -0.09 -0.46 -0.31 0.00 0.00 0.00 0.00 46.02 45.16 1k90 n GLY 578 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1k90 s THR 579 N -2.07 4.11 0.56 2.61 -4.23 -1.26 -4.55 115.64 110.81 1k90 s THR 579 Ca 0.33 0.69 0.25 0.00 -1.18 0.00 0.00 61.69 61.78 1k90 s THR 579 Cb -0.01 -3.54 0.34 0.00 1.34 0.00 0.00 72.50 70.63 1k90 s THR 579 CO 0.43 -0.90 2.13 -0.08 -0.54 0.00 0.00 174.62 175.66 1k90 h GLU 580 N -0.62 0.00 0.00 3.99 4.57 -0.53 -1.91 114.58 120.09 1k90 h GLU 580 Ca -0.44 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.74 1k90 h GLU 580 Cb 1.21 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.80 1k90 h GLU 580 CO 0.59 0.00 0.00 1.04 -1.18 0.00 0.00 179.01 179.46 1k90 n GLN 581 N -4.10 0.40 0.00 1.92 1.13 -1.20 -0.93 117.38 114.59 1k90 n GLN 581 Ca 0.01 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.07 1k90 n GLN 581 Cb 0.26 -1.40 0.00 0.00 0.11 0.00 0.00 30.24 29.21 1k90 n GLN 581 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1k90 n ASP 582 N -0.90 0.67 -4.54 1.08 8.00 -0.72 -3.33 116.55 116.80 1k90 n ASP 582 Ca 0.08 -0.86 -0.43 0.00 0.71 0.00 0.00 54.79 54.29 1k90 n ASP 582 Cb 0.04 0.23 -0.00 0.00 -0.02 0.00 0.00 41.12 41.37 1k90 n ASP 582 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1k90 s ASN 583 N -0.23 6.89 0.08 -2.24 2.47 -0.11 -4.66 114.94 117.14 1k90 s ASN 583 Ca 0.00 -2.57 0.10 0.00 0.42 0.00 0.00 52.86 50.82 1k90 s ASN 583 Cb 0.00 -2.53 -0.18 0.00 -1.45 0.00 0.00 41.25 37.09 1k90 s ASN 583 CO 0.00 -1.06 1.08 -0.33 -3.72 0.00 0.00 177.10 173.07 1k90 h GLU 584 N 7.55 0.00 -0.01 0.43 5.08 -1.87 -3.11 114.58 122.65 1k90 h GLU 584 Ca 0.40 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.64 1k90 h GLU 584 Cb 0.88 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.14 1k90 h GLU 584 CO 1.39 0.75 -0.48 0.93 -1.00 0.00 0.00 179.01 180.60 1k90 h GLU 585 N 0.00 0.34 -1.96 2.33 5.08 -1.97 -3.39 114.58 115.01 1k90 h GLU 585 Ca -0.10 -0.35 -0.54 0.00 -1.00 0.00 0.00 59.36 57.37 1k90 h GLU 585 Cb 1.79 0.10 -0.41 0.00 0.50 0.00 0.00 28.75 30.72 1k90 h GLU 585 CO 0.10 1.03 -0.86 1.19 -1.00 0.00 0.00 179.01 179.48 1k90 n PHE 586 N -4.32 2.65 -1.54 4.33 3.01 -1.26 -1.09 117.46 119.25 1k90 n PHE 586 Ca -0.10 -3.68 -0.42 0.00 1.01 0.00 0.00 57.45 54.26 1k90 n PHE 586 Cb 0.61 -0.39 0.01 0.00 -0.01 0.00 0.00 39.48 39.70 1k90 n PHE 586 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1k90 n PRO 587 N -0.13 0.98 -4.04 -1.08 -0.04 -1.17 -4.95 135.00 124.56 1k90 n PRO 587 Ca 0.29 0.36 -0.33 0.00 -0.04 0.00 0.00 63.50 63.77 1k90 n PRO 587 Cb 0.55 -1.80 -0.15 0.00 -0.04 0.00 0.00 33.50 32.06 1k90 n PRO 587 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1k90 s GLU 588 N -1.82 2.70 -0.83 0.54 0.41 -1.26 -4.95 118.70 113.48 1k90 s GLU 588 Ca 0.64 -1.04 -0.18 0.00 -0.41 0.00 0.00 54.97 53.97 1k90 s GLU 588 Cb -0.59 -2.83 0.14 0.00 -1.78 0.00 0.00 34.13 29.08 1k90 s GLU 588 CO 0.57 -0.39 0.97 0.21 -0.49 0.00 0.00 175.26 176.12 1k90 s LYS 589 N 1.25 3.48 0.13 1.61 2.20 -1.26 -5.03 119.74 122.12 1k90 s LYS 589 Ca -0.01 -1.79 -0.15 0.00 -0.36 0.00 0.00 55.97 53.66 1k90 s LYS 589 Cb -0.17 -4.65 -0.07 0.00 -1.51 0.00 0.00 37.83 31.43 1k90 s LYS 589 CO -0.07 -1.63 0.55 -0.51 -0.36 0.00 0.00 175.35 173.32 1k90 s ASP 590 N 3.30 6.86 0.09 1.43 1.01 -1.26 -5.01 116.67 123.09 1k90 s ASP 590 Ca 0.25 1.10 -0.04 0.00 0.71 0.00 0.00 52.55 54.57 1k90 s ASP 590 Cb -0.10 -2.30 -0.23 0.00 1.01 0.00 0.00 42.92 41.30 1k90 s ASP 590 CO -0.06 0.14 1.19 0.78 0.21 0.00 0.00 175.17 177.43 1k90 h ASN 591 N 3.76 0.44 -3.61 0.27 2.35 -1.94 -3.41 115.58 113.44 1k90 h ASN 591 Ca -0.49 -0.44 -0.69 0.00 -0.55 0.00 0.00 56.30 54.14 1k90 h ASN 591 Cb 1.20 -0.14 -0.34 0.00 0.05 0.00 0.00 38.32 39.08 1k90 h ASN 591 CO 0.65 1.31 -0.62 -1.61 -1.65 0.00 0.00 177.43 175.51 1k90 s GLU 592 N -2.81 2.10 -0.14 0.81 2.02 -1.26 -2.42 118.70 117.00 1k90 s GLU 592 Ca -0.04 -1.62 -0.15 0.00 0.02 0.00 0.00 54.97 53.17 1k90 s GLU 592 Cb 0.08 -3.40 -0.04 0.00 0.10 0.00 0.00 34.13 30.86 1k90 s GLU 592 CO 0.88 -0.89 0.36 0.42 0.02 0.00 0.00 175.26 176.05 1k90 s ILE 593 N 1.16 5.26 -0.20 -1.63 -1.09 -1.24 -4.13 121.20 119.33 1k90 s ILE 593 Ca 0.04 0.70 -0.18 0.00 -2.23 0.00 0.00 60.65 58.98 1k90 s ILE 593 Cb -0.21 -3.70 -0.03 0.00 -1.58 0.00 0.00 42.46 36.93 1k90 s ILE 593 CO -0.03 0.37 0.51 0.12 -1.23 0.00 0.00 174.94 174.68 1k90 s PHE 594 N 0.47 3.37 -0.01 3.97 5.36 -0.19 -2.11 117.98 128.85 1k90 s PHE 594 Ca 0.20 0.76 0.07 0.00 -0.96 0.00 0.00 56.93 57.00 1k90 s PHE 594 Cb -0.14 -2.66 -0.02 0.00 -0.34 0.00 0.00 43.02 39.86 1k90 s PHE 594 CO 0.06 -0.09 -0.22 0.42 -1.46 0.00 0.00 175.22 173.93 1k90 s ILE 595 N 1.60 2.44 -0.35 3.12 1.01 0.32 0.15 121.20 129.49 1k90 s ILE 595 Ca 0.24 -1.07 0.02 0.00 0.00 0.00 0.00 60.65 59.83 1k90 s ILE 595 Cb -0.15 -1.92 0.11 0.00 0.01 0.00 0.00 42.46 40.50 1k90 s ILE 595 CO 0.09 0.51 0.11 -0.63 0.00 0.00 0.00 174.94 175.03 1k90 s ILE 596 N -0.72 1.57 0.72 2.92 1.01 -0.33 -0.43 121.20 125.93 1k90 s ILE 596 Ca 0.11 -2.04 -0.11 0.00 0.00 0.00 0.00 60.65 58.61 1k90 s ILE 596 Cb -0.10 -2.16 0.02 0.00 0.01 0.00 0.00 42.46 40.23 1k90 s ILE 596 CO 0.01 -0.69 1.07 0.54 0.00 0.00 0.00 174.94 175.87 1k90 s ASN 597 N 1.04 5.19 0.62 3.58 2.20 -1.08 -1.58 114.94 124.92 1k90 s ASN 597 Ca 0.12 1.52 0.23 0.00 -0.94 0.00 0.00 52.86 53.79 1k90 s ASN 597 Cb -0.20 -2.37 1.02 0.00 -2.00 0.00 0.00 41.25 37.71 1k90 s ASN 597 CO -0.14 -1.55 1.50 1.55 -2.94 0.00 0.00 177.10 175.52 1k90 h PRO 598 N -0.80 0.00 -0.01 3.55 0.13 -1.79 0.85 132.00 133.93 1k90 h PRO 598 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1k90 h PRO 598 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1k90 h PRO 598 CO 0.58 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.74 1k90 n GLU 599 N -3.21 1.06 -1.05 0.86 4.71 -1.26 -3.39 120.64 118.37 1k90 n GLU 599 Ca 0.12 -0.09 -0.02 0.00 -0.01 0.00 0.00 57.16 57.16 1k90 n GLU 599 Cb 1.06 -1.32 -0.01 0.00 -1.01 0.00 0.00 31.44 30.15 1k90 n GLU 599 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1k90 n GLY 600 N 0.84 0.49 3.88 0.62 0.00 0.29 -4.98 105.19 106.34 1k90 n GLY 600 Ca 0.15 -0.21 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 1k90 n GLY 600 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1k90 s GLU 601 N -1.14 3.65 -0.18 1.61 2.02 -1.23 -4.83 118.70 118.61 1k90 s GLU 601 Ca 0.00 0.56 -0.04 0.00 0.02 0.00 0.00 54.97 55.51 1k90 s GLU 601 Cb 0.00 -2.23 -0.02 0.00 0.10 0.00 0.00 34.13 31.98 1k90 s GLU 601 CO 0.00 -0.34 -0.02 -0.06 0.02 0.00 0.00 175.26 174.86 1k90 s PHE 602 N -2.85 3.02 0.04 1.61 2.99 -1.26 -2.62 117.98 118.91 1k90 s PHE 602 Ca 0.53 -0.40 0.03 0.00 0.00 0.00 0.00 56.93 57.09 1k90 s PHE 602 Cb -0.11 -2.01 -0.02 0.00 0.00 0.00 0.00 43.02 40.88 1k90 s PHE 602 CO 0.45 -0.14 -0.09 0.42 -0.00 0.00 0.00 175.22 175.85 1k90 s ILE 603 N 0.67 0.68 -0.25 0.64 1.01 0.43 -1.38 121.20 123.00 1k90 s ILE 603 Ca -0.02 -0.99 -0.04 0.00 0.00 0.00 0.00 60.65 59.61 1k90 s ILE 603 Cb -0.14 -0.69 0.09 0.00 0.01 0.00 0.00 42.46 41.72 1k90 s ILE 603 CO 0.02 -0.24 0.13 -0.22 0.00 0.00 0.00 174.94 174.63 1k90 s LEU 604 N -1.35 0.40 0.60 2.97 0.20 -1.03 0.12 118.68 120.60 1k90 s LEU 604 Ca -0.06 -1.01 -0.20 0.00 0.69 0.00 0.00 54.13 53.56 1k90 s LEU 604 Cb -0.09 -0.23 -0.03 0.00 -0.43 0.00 0.00 46.19 45.42 1k90 s LEU 604 CO 0.01 -0.41 1.31 0.35 -0.29 0.00 0.00 176.35 177.32 1k90 n THR 605 N 5.27 4.45 -0.03 3.68 -2.24 -0.90 -2.81 114.28 121.71 1k90 n THR 605 Ca -0.06 -0.50 -0.05 0.00 -2.27 0.00 0.00 64.05 61.17 1k90 n THR 605 Cb 0.45 -1.55 -0.13 0.00 -2.10 0.00 0.00 70.33 67.00 1k90 n THR 605 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1k90 n LYS 606 N -1.50 0.65 -3.80 -0.78 4.76 -1.26 -3.62 118.16 112.61 1k90 n LYS 606 Ca 0.14 0.15 -0.11 0.00 -2.87 0.00 0.00 58.31 55.62 1k90 n LYS 606 Cb 0.47 -1.70 -0.08 0.00 -1.84 0.00 0.00 35.03 31.87 1k90 n LYS 606 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1k90 s ASN 607 N -5.71 -0.04 0.49 4.39 4.22 -1.02 -4.42 114.94 112.86 1k90 s ASN 607 Ca -0.06 -0.30 0.32 0.00 -2.14 0.00 0.00 52.86 50.69 1k90 s ASN 607 Cb 0.08 0.32 1.44 0.00 1.28 0.00 0.00 41.25 44.38 1k90 s ASN 607 CO 0.83 -0.59 1.75 -0.25 -2.04 0.00 0.00 177.10 176.79 1k90 h TRP 608 N 3.30 0.24 -0.09 1.54 2.91 -1.79 0.40 115.95 122.47 1k90 h TRP 608 Ca -0.32 0.01 -0.17 0.00 1.13 0.00 0.00 58.89 59.54 1k90 h TRP 608 Cb 1.20 -0.07 0.01 0.00 -0.51 0.00 0.00 29.16 29.79 1k90 h TRP 608 CO 0.47 -0.01 -0.60 0.93 -1.03 0.00 0.00 178.44 178.20 1k90 h GLU 609 N 0.11 0.56 -0.92 2.65 3.07 -1.96 -2.15 114.58 115.94 1k90 h GLU 609 Ca 0.64 -0.48 0.00 0.00 -0.50 0.00 0.00 59.36 59.02 1k90 h GLU 609 Cb 2.26 0.11 -0.04 0.00 -0.84 0.00 0.00 28.75 30.23 1k90 h GLU 609 CO -0.13 1.11 0.58 1.98 -1.40 0.00 0.00 179.01 181.15 1k90 h MET 610 N 0.16 1.23 -0.80 2.33 4.05 -0.68 0.66 114.93 121.90 1k90 h MET 610 Ca -0.05 -0.10 0.00 0.00 -0.28 0.00 0.00 59.70 59.27 1k90 h MET 610 Cb 1.25 -0.27 -0.04 0.00 -0.80 0.00 0.00 31.60 31.75 1k90 h MET 610 CO 0.12 0.84 0.50 1.15 0.23 0.00 0.00 176.91 179.75 1k90 h THR 611 N 1.26 1.21 -0.42 -0.77 2.02 -1.06 -0.40 112.91 114.76 1k90 h THR 611 Ca 0.33 -0.44 -0.12 0.00 0.77 0.00 0.00 66.41 66.95 1k90 h THR 611 Cb -0.09 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.37 1k90 h THR 611 CO -0.07 0.22 -0.24 1.23 0.37 0.00 0.00 175.52 177.04 1k90 h GLY 612 N 1.10 0.93 0.78 2.16 0.00 -0.34 -2.34 103.07 105.37 1k90 h GLY 612 Ca 0.29 -0.82 -0.03 0.00 0.00 0.00 0.00 47.33 46.77 1k90 h GLY 612 CO -0.06 0.74 -0.28 3.21 0.00 0.00 0.00 176.54 180.16 1k90 h ARG 613 N 0.74 -0.75 -0.80 4.80 2.47 -0.35 -2.57 114.38 117.92 1k90 h ARG 613 Ca 0.10 0.05 0.19 0.00 -1.26 0.00 0.00 59.98 59.06 1k90 h ARG 613 Cb 0.78 0.17 -0.13 0.00 -1.65 0.00 0.00 29.97 29.14 1k90 h ARG 613 CO 0.06 -0.44 0.17 0.35 0.56 0.00 0.00 179.97 180.67 1k90 h PHE 614 N -1.01 0.25 -0.58 3.04 3.57 -1.10 0.28 116.94 121.40 1k90 h PHE 614 Ca -0.08 0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.43 1k90 h PHE 614 Cb 0.66 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.39 1k90 h PHE 614 CO 0.00 -0.16 0.19 0.82 -2.23 0.00 0.00 178.31 176.93 1k90 h ILE 615 N 0.22 1.22 0.14 1.41 1.08 -1.39 -1.61 117.51 118.58 1k90 h ILE 615 Ca 0.47 -0.74 -0.01 0.00 -0.39 0.00 0.00 64.86 64.20 1k90 h ILE 615 Cb 0.87 0.58 0.00 0.00 -3.07 0.00 0.00 36.82 35.20 1k90 h ILE 615 CO -0.60 0.28 -0.07 -0.08 -0.69 0.00 0.00 178.15 177.00 1k90 h GLU 616 N 0.84 -0.18 -0.00 2.37 4.81 -0.09 1.60 114.58 123.93 1k90 h GLU 616 Ca 0.19 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 1k90 h GLU 616 Cb 0.23 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.65 1k90 h GLU 616 CO -0.01 0.28 -0.03 1.17 -0.73 0.00 0.00 179.01 179.68 1k90 n LYS 617 N -4.92 0.43 0.00 1.92 0.00 -0.25 -1.95 118.16 113.39 1k90 n LYS 617 Ca -0.08 -0.04 0.00 0.00 0.00 0.00 0.00 58.31 58.19 1k90 n LYS 617 Cb 0.27 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 33.80 1k90 n LYS 617 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1k90 n ASN 618 N -1.25 0.93 0.01 3.14 4.13 -0.61 -4.92 115.26 116.70 1k90 n ASN 618 Ca 0.14 -0.10 0.00 0.00 1.68 0.00 0.00 54.58 56.30 1k90 n ASN 618 Cb 0.26 0.38 0.00 0.00 -1.54 0.00 0.00 39.78 38.88 1k90 n ASN 618 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 1k90 n ILE 619 N -0.47 0.07 -0.37 2.41 5.41 -0.46 -4.77 119.36 121.18 1k90 n ILE 619 Ca 0.00 0.02 0.04 0.00 1.00 0.00 0.00 62.75 63.81 1k90 n ILE 619 Cb 0.00 -0.73 0.19 0.00 -0.71 0.00 0.00 39.64 38.39 1k90 n ILE 619 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1k90 h THR 620 N 0.00 1.05 -0.77 1.39 1.03 0.21 -2.35 112.91 113.48 1k90 h THR 620 Ca 0.00 -0.39 -0.49 0.00 -0.01 0.00 0.00 66.41 65.52 1k90 h THR 620 Cb 0.00 -0.19 -0.28 0.00 -1.07 0.00 0.00 68.15 66.62 1k90 h THR 620 CO 0.00 0.21 0.21 0.61 -0.01 0.00 0.00 175.52 176.53 1k90 n GLY 621 N -1.36 5.50 2.76 2.99 0.00 -0.82 -4.61 105.19 109.65 1k90 n GLY 621 Ca 0.16 -1.89 -0.03 0.00 0.00 0.00 0.00 46.02 44.26 1k90 n GLY 621 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1k90 n LYS 622 N -0.97 1.48 -3.52 1.61 3.00 -0.89 -4.95 118.16 113.92 1k90 n LYS 622 Ca 0.50 -3.12 -0.22 0.00 -0.00 0.00 0.00 58.31 55.48 1k90 n LYS 622 Cb 1.01 -1.21 0.08 0.00 0.00 0.00 0.00 35.03 34.90 1k90 n LYS 622 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1k90 n ASP 623 N -0.52 -5.38 -3.92 3.14 8.00 -1.26 -4.86 116.55 111.75 1k90 n ASP 623 Ca 0.05 -0.54 -0.21 0.00 0.71 0.00 0.00 54.79 54.80 1k90 n ASP 623 Cb 0.82 -4.89 -0.16 0.00 -0.02 0.00 0.00 41.12 36.86 1k90 n ASP 623 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1k90 s TYR 624 N -3.32 0.93 0.19 1.24 1.51 -1.21 -2.53 117.35 114.17 1k90 s TYR 624 Ca 0.45 -0.30 -0.32 0.00 -1.01 0.00 0.00 57.07 55.89 1k90 s TYR 624 Cb -0.20 -0.78 -0.11 0.00 -0.11 0.00 0.00 41.96 40.75 1k90 s TYR 624 CO 0.70 -0.23 1.70 -1.17 -1.11 0.00 0.00 175.55 175.44 1k90 s LEU 625 N 0.94 4.37 -0.18 -1.29 2.96 0.23 -4.58 118.68 121.14 1k90 s LEU 625 Ca -0.10 2.80 -0.24 0.00 -0.22 0.00 0.00 54.13 56.37 1k90 s LEU 625 Cb -0.14 -3.60 0.06 0.00 0.50 0.00 0.00 46.19 43.01 1k90 s LEU 625 CO 0.00 -0.95 0.63 -0.47 -1.32 0.00 0.00 176.35 174.25 1k90 s TYR 626 N 1.32 -0.66 -0.08 5.38 5.04 -1.26 -3.36 117.35 123.73 1k90 s TYR 626 Ca 0.74 1.48 -0.05 0.00 -2.44 0.00 0.00 57.07 56.81 1k90 s TYR 626 Cb -0.48 0.28 0.04 0.00 0.35 0.00 0.00 41.96 42.14 1k90 s TYR 626 CO 0.32 -0.41 0.19 1.52 -1.34 0.00 0.00 175.55 175.83 1k90 s TYR 627 N -0.15 -0.23 0.16 4.97 -0.85 -1.26 -5.07 117.35 114.91 1k90 s TYR 627 Ca -0.04 0.59 -0.05 0.00 -0.52 0.00 0.00 57.07 57.05 1k90 s TYR 627 Cb -0.03 0.00 -0.06 0.00 0.38 0.00 0.00 41.96 42.25 1k90 s TYR 627 CO 0.03 -0.17 0.40 -0.59 -1.52 0.00 0.00 175.55 173.70 1k90 s PHE 628 N 0.90 3.47 -0.05 -3.49 -0.12 -1.26 -4.90 117.98 112.52 1k90 s PHE 628 Ca -0.07 0.58 -0.36 0.00 -0.05 0.00 0.00 56.93 57.03 1k90 s PHE 628 Cb -0.08 -2.03 -0.18 0.00 -0.63 0.00 0.00 43.02 40.10 1k90 s PHE 628 CO -0.05 0.41 1.00 -1.71 -0.05 0.00 0.00 175.22 174.82 1k90 n ASN 629 N -0.01 0.12 0.27 1.98 5.15 -1.21 -4.82 115.26 116.74 1k90 n ASN 629 Ca -0.02 1.03 0.15 0.00 -0.60 0.00 0.00 54.58 55.14 1k90 n ASN 629 Cb 0.52 -0.81 0.77 0.00 -0.53 0.00 0.00 39.78 39.73 1k90 n ASN 629 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1k90 h ARG 630 N 2.87 0.00 0.00 1.20 3.08 -1.96 -2.50 114.38 117.07 1k90 h ARG 630 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.60 1k90 h ARG 630 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.31 1k90 h ARG 630 CO 0.61 0.09 0.00 0.43 -1.07 0.00 0.00 179.97 180.03 1k90 n SER 631 N -3.42 0.43 -4.73 7.04 7.64 -1.26 -4.81 113.62 114.51 1k90 n SER 631 Ca -0.01 0.57 -0.34 0.00 1.01 0.00 0.00 58.87 60.09 1k90 n SER 631 Cb 0.24 -0.67 0.09 0.00 -1.01 0.00 0.00 64.21 62.86 1k90 n SER 631 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1k90 s TYR 632 N -3.11 2.10 0.00 1.43 4.12 -0.94 -2.21 117.35 118.73 1k90 s TYR 632 Ca 0.09 1.60 0.00 0.00 0.02 0.00 0.00 57.07 58.78 1k90 s TYR 632 Cb 0.13 -3.44 0.00 0.00 -1.52 0.00 0.00 41.96 37.12 1k90 s TYR 632 CO 0.47 -2.53 0.00 0.09 0.02 0.00 0.00 175.55 173.60 1k90 n ASN 633 N -2.70 -3.76 -3.72 2.29 5.03 0.15 -4.90 115.26 107.66 1k90 n ASN 633 Ca 0.13 0.00 -0.18 0.00 0.87 0.00 0.00 54.58 55.41 1k90 n ASN 633 Cb 0.50 -2.44 -0.09 0.00 -1.02 0.00 0.00 39.78 36.73 1k90 n ASN 633 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1k90 s LYS 634 N -1.25 1.59 -0.44 3.52 1.02 -0.94 -5.02 119.74 118.21 1k90 s LYS 634 Ca 0.00 -1.90 -0.20 0.00 0.02 0.00 0.00 55.97 53.88 1k90 s LYS 634 Cb 0.00 0.20 0.02 0.00 -0.52 0.00 0.00 37.83 37.54 1k90 s LYS 634 CO 0.00 -0.54 0.61 0.42 -0.92 0.00 0.00 175.35 174.92 1k90 s ILE 635 N -3.65 4.86 0.12 2.17 1.01 -1.26 -4.14 121.20 120.31 1k90 s ILE 635 Ca 0.39 0.02 -0.35 0.00 0.00 0.00 0.00 60.65 60.71 1k90 s ILE 635 Cb 0.04 -4.19 -0.15 0.00 0.01 0.00 0.00 42.46 38.18 1k90 s ILE 635 CO 0.21 -0.58 1.53 0.00 0.00 0.00 0.00 174.94 176.10 1k90 n ALA 636 N 6.17 0.67 -0.02 9.38 0.00 0.27 -4.82 120.51 132.15 1k90 n ALA 636 Ca -0.03 0.46 -0.09 0.00 0.00 0.00 0.00 53.44 53.78 1k90 n ALA 636 Cb 0.48 -2.28 -0.03 0.00 0.00 0.00 0.00 19.45 17.62 1k90 n ALA 636 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1k90 h PRO 637 N 5.72 -0.29 0.00 0.00 0.11 -1.75 0.10 132.00 135.89 1k90 h PRO 637 Ca -0.46 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1k90 h PRO 637 Cb 1.28 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.45 1k90 h PRO 637 CO 0.86 -0.19 0.00 0.41 -0.21 0.00 0.00 178.00 178.87 1k90 n GLY 638 N -1.38 -0.53 0.00 -0.55 0.00 -0.25 -4.14 105.19 98.35 1k90 n GLY 638 Ca -0.02 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.08 1k90 n GLY 638 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1k90 n ASN 639 N -0.62 0.00 -2.46 1.61 0.23 -1.01 -4.88 115.26 108.14 1k90 n ASN 639 Ca 0.00 -0.98 -0.17 0.00 -0.53 0.00 0.00 54.58 52.90 1k90 n ASN 639 Cb 0.00 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 37.69 1k90 n ASN 639 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1k90 n LYS 640 N -0.85 -2.08 -2.86 -3.83 4.76 0.35 -4.94 118.16 108.71 1k90 n LYS 640 Ca 0.12 0.79 -0.35 0.00 -2.87 0.00 0.00 58.31 56.00 1k90 n LYS 640 Cb 0.06 -5.43 -0.07 0.00 -1.84 0.00 0.00 35.03 27.75 1k90 n LYS 640 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1k90 s ALA 641 N -2.83 3.19 -0.55 7.82 0.00 -1.23 -4.54 121.76 123.62 1k90 s ALA 641 Ca 0.02 0.40 0.04 0.00 0.00 0.00 0.00 51.96 52.42 1k90 s ALA 641 Cb -0.01 -3.09 0.14 0.00 0.00 0.00 0.00 23.12 20.16 1k90 s ALA 641 CO 0.02 0.19 0.30 -0.47 0.00 0.00 0.00 175.76 175.80 1k90 s TYR 642 N -1.81 3.19 -0.34 0.00 5.04 -1.26 0.93 117.35 123.10 1k90 s TYR 642 Ca 0.53 -3.18 -0.13 0.00 -2.44 0.00 0.00 57.07 51.85 1k90 s TYR 642 Cb -0.15 -2.76 -0.02 0.00 0.35 0.00 0.00 41.96 39.39 1k90 s TYR 642 CO 0.20 -0.71 0.26 0.42 -1.34 0.00 0.00 175.55 174.37 1k90 s ILE 643 N -0.47 5.27 0.37 3.14 1.01 -1.26 -4.93 121.20 124.33 1k90 s ILE 643 Ca 0.18 -0.19 -0.24 0.00 0.00 0.00 0.00 60.65 60.40 1k90 s ILE 643 Cb -0.22 -3.74 -0.10 0.00 0.01 0.00 0.00 42.46 38.41 1k90 s ILE 643 CO -0.03 -0.03 0.94 -1.61 0.00 0.00 0.00 174.94 174.22 1k90 s GLU 644 N 1.76 4.42 -0.10 2.79 2.02 -1.26 0.33 118.70 128.66 1k90 s GLU 644 Ca 0.07 1.23 -0.18 0.00 0.02 0.00 0.00 54.97 56.11 1k90 s GLU 644 Cb -0.17 -2.51 0.04 0.00 0.10 0.00 0.00 34.13 31.59 1k90 s GLU 644 CO 0.11 0.14 0.44 -0.46 0.02 0.00 0.00 175.26 175.50 1k90 s TRP 645 N -1.88 -0.41 -0.55 1.61 -0.11 -1.26 -4.80 118.94 111.53 1k90 s TRP 645 Ca 0.56 0.87 -0.28 0.00 1.22 0.00 0.00 56.10 58.46 1k90 s TRP 645 Cb -0.14 0.18 0.02 0.00 -1.50 0.00 0.00 33.47 32.03 1k90 s TRP 645 CO 0.19 -0.35 1.33 0.95 -4.62 0.00 0.00 176.95 174.44 1k90 s THR 646 N -0.54 3.89 -0.34 5.86 -4.23 -1.26 -4.79 115.64 114.23 1k90 s THR 646 Ca -0.07 0.79 -0.13 0.00 -1.18 0.00 0.00 61.69 61.11 1k90 s THR 646 Cb -0.03 -4.53 -0.02 0.00 1.34 0.00 0.00 72.50 69.26 1k90 s THR 646 CO 0.03 -1.19 0.25 -0.62 -0.54 0.00 0.00 174.62 172.55 1k90 s ASP 647 N 3.80 6.07 0.45 3.99 3.68 -1.26 -4.97 116.67 128.42 1k90 s ASP 647 Ca 0.50 -0.40 0.11 0.00 2.13 0.00 0.00 52.55 54.89 1k90 s ASP 647 Cb -0.10 -2.14 1.02 0.00 -1.45 0.00 0.00 42.92 40.25 1k90 s ASP 647 CO 0.26 -0.24 2.07 1.55 0.13 0.00 0.00 175.17 178.94 1k90 h PRO 648 N 8.49 0.34 -0.34 4.34 0.13 -2.01 -2.64 132.00 140.30 1k90 h PRO 648 Ca -0.31 -0.02 0.01 0.00 -0.87 0.00 0.00 66.00 64.81 1k90 h PRO 648 Cb 1.16 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 32.19 1k90 h PRO 648 CO 0.64 0.23 0.23 0.82 -0.23 0.00 0.00 178.00 179.68 1k90 h ILE 649 N 0.36 1.06 -0.02 -3.56 2.04 -2.00 -1.81 117.51 113.58 1k90 h ILE 649 Ca 0.13 -0.14 -0.18 0.00 1.00 0.00 0.00 64.86 65.67 1k90 h ILE 649 Cb 0.09 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 1k90 h ILE 649 CO -0.03 0.08 -0.78 0.74 0.00 0.00 0.00 178.15 178.16 1k90 h THR 650 N 0.41 1.46 -0.91 -0.27 2.02 -1.90 -2.65 112.91 111.07 1k90 h THR 650 Ca 0.13 -2.41 0.13 0.00 0.77 0.00 0.00 66.41 65.03 1k90 h THR 650 Cb 0.02 2.31 -0.07 0.00 -1.74 0.00 0.00 68.15 68.67 1k90 h THR 650 CO -0.03 0.70 0.58 0.11 0.37 0.00 0.00 175.52 177.26 1k90 h LYS 651 N 0.12 0.75 -0.00 6.66 1.57 -1.36 -0.59 116.57 123.72 1k90 h LYS 651 Ca -0.03 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1k90 h LYS 651 Cb 1.36 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.50 1k90 h LYS 651 CO 0.12 0.50 -0.49 0.00 -0.57 0.00 0.00 179.45 179.01 1k90 n ALA 652 N -2.41 3.56 -0.36 3.86 0.00 -1.17 -4.09 120.51 119.90 1k90 n ALA 652 Ca 0.17 -0.41 0.05 0.00 0.00 0.00 0.00 53.44 53.25 1k90 n ALA 652 Cb 0.42 -1.07 0.21 0.00 0.00 0.00 0.00 19.45 19.02 1k90 n ALA 652 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1k90 h LYS 653 N 0.47 1.05 -0.84 0.00 3.64 -0.73 -1.44 116.57 118.73 1k90 h LYS 653 Ca 0.00 -0.06 0.15 0.00 -1.27 0.00 0.00 60.65 59.47 1k90 h LYS 653 Cb 0.51 -0.24 -0.10 0.00 -0.41 0.00 0.00 32.23 32.00 1k90 h LYS 653 CO 0.00 0.70 0.41 0.97 -2.27 0.00 0.00 179.45 179.26 1k90 h ILE 654 N 1.08 0.70 0.01 2.00 6.09 -1.71 -3.04 117.51 122.64 1k90 h ILE 654 Ca 0.45 -0.20 -0.31 0.00 -1.37 0.00 0.00 64.86 63.44 1k90 h ILE 654 Cb 0.30 0.07 -0.05 0.00 0.47 0.00 0.00 36.82 37.62 1k90 h ILE 654 CO -0.20 0.10 -1.83 0.59 -3.07 0.00 0.00 178.15 173.75 1k90 n ASN 655 N -4.91 0.88 -4.81 2.19 3.02 -0.79 -4.47 115.26 106.38 1k90 n ASN 655 Ca 0.17 0.34 -0.33 0.00 -0.03 0.00 0.00 54.58 54.73 1k90 n ASN 655 Cb 0.45 -0.01 -0.06 0.00 -0.61 0.00 0.00 39.78 39.55 1k90 n ASN 655 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1k90 s THR 656 N -2.58 4.29 0.01 3.41 -4.23 -0.61 -2.82 115.64 113.10 1k90 s THR 656 Ca -0.07 1.46 -0.11 0.00 -1.18 0.00 0.00 61.69 61.79 1k90 s THR 656 Cb 0.08 -3.61 -0.05 0.00 1.34 0.00 0.00 72.50 70.26 1k90 s THR 656 CO 0.82 -0.27 0.34 0.27 -0.54 0.00 0.00 174.62 175.23 1k90 s ILE 657 N -2.11 5.17 0.65 2.99 -4.36 -1.26 -4.82 121.20 117.47 1k90 s ILE 657 Ca 0.62 0.50 -0.17 0.00 -0.26 0.00 0.00 60.65 61.34 1k90 s ILE 657 Cb -0.11 -3.62 -0.04 0.00 1.25 0.00 0.00 42.46 39.95 1k90 s ILE 657 CO 0.15 0.45 0.83 -0.81 0.24 0.00 0.00 174.94 175.81 1k90 n PRO 658 N 1.42 0.63 0.00 0.37 -0.04 -1.26 -5.03 135.00 131.09 1k90 n PRO 658 Ca -0.12 0.26 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 1k90 n PRO 658 Cb 0.53 -2.07 0.00 0.00 -0.04 0.00 0.00 33.50 31.92 1k90 n PRO 658 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1k90 n THR 659 N -2.06 0.00 -0.07 0.52 5.66 -1.26 -4.88 114.28 112.19 1k90 n THR 659 Ca 0.13 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 61.04 1k90 n THR 659 Cb 0.48 -1.30 -0.05 0.00 -1.55 0.00 0.00 70.33 67.91 1k90 n THR 659 CO 0.00 0.00 0.00 0.77 -3.05 0.00 0.00 175.07 172.79 1k90 h SER 660 N 0.00 0.00 -0.19 1.09 4.64 -1.83 -3.16 113.55 114.10 1k90 h SER 660 Ca 0.00 -0.31 0.06 0.00 -0.47 0.00 0.00 61.79 61.07 1k90 h SER 660 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1k90 h SER 660 CO 0.00 0.86 0.17 0.00 -0.87 0.00 0.00 176.83 176.99 1k90 h ALA 661 N -0.69 1.98 0.00 5.18 0.00 -1.96 0.42 119.26 124.19 1k90 h ALA 661 Ca -0.07 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1k90 h ALA 661 Cb 0.60 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1k90 h ALA 661 CO -0.04 -0.27 -0.17 1.49 0.00 0.00 0.00 179.25 180.26 1k90 h GLU 662 N 0.00 0.00 0.13 0.00 4.57 -1.94 0.48 114.58 117.83 1k90 h GLU 662 Ca 0.09 0.00 -0.19 0.00 -1.18 0.00 0.00 59.36 58.08 1k90 h GLU 662 Cb 0.43 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 29.04 1k90 h GLU 662 CO -0.00 0.17 -0.84 0.35 -1.18 0.00 0.00 179.01 177.51 1k90 h PHE 663 N 0.00 0.59 -0.02 0.92 3.57 -0.18 -3.26 116.94 118.56 1k90 h PHE 663 Ca -0.00 -0.42 -0.02 0.00 3.53 0.00 0.00 57.97 61.06 1k90 h PHE 663 Cb 0.98 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.69 1k90 h PHE 663 CO 0.00 1.31 -0.06 0.82 -2.23 0.00 0.00 178.31 178.15 1k90 h ILE 664 N -0.29 1.47 0.00 1.41 2.04 -1.16 -2.89 117.51 118.09 1k90 h ILE 664 Ca -0.14 -1.46 0.00 0.00 1.00 0.00 0.00 64.86 64.26 1k90 h ILE 664 Cb 1.64 2.39 0.00 0.00 -0.74 0.00 0.00 36.82 40.11 1k90 h ILE 664 CO 0.16 0.39 0.00 0.29 0.00 0.00 0.00 178.15 178.99 1k90 n LYS 665 N -4.73 0.19 0.00 2.37 5.02 0.17 0.14 118.16 121.32 1k90 n LYS 665 Ca -0.09 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.20 1k90 n LYS 665 Cb 0.34 -1.03 0.00 0.00 -0.02 0.00 0.00 35.03 34.32 1k90 n LYS 665 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1k90 n ASN 666 N -0.22 0.75 -0.00 4.39 4.13 -1.10 -4.09 115.26 119.12 1k90 n ASN 666 Ca 0.00 -1.34 0.01 0.00 1.68 0.00 0.00 54.58 54.93 1k90 n ASN 666 Cb 0.01 0.00 -0.02 0.00 -1.54 0.00 0.00 39.78 38.24 1k90 n ASN 666 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1k90 n LEU 667 N -0.17 0.09 -0.12 3.41 4.77 0.38 -3.96 117.00 121.40 1k90 n LEU 667 Ca 0.00 -0.39 -0.21 0.00 -0.03 0.00 0.00 56.01 55.39 1k90 n LEU 667 Cb 0.36 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.38 1k90 n LEU 667 CO 0.00 0.02 -1.09 -0.24 -1.33 0.00 0.00 177.39 174.76 1k90 n SER 668 N -1.18 1.95 0.27 -1.43 2.88 -0.50 -3.39 113.62 112.21 1k90 n SER 668 Ca 0.00 0.35 0.17 0.00 -1.33 0.00 0.00 58.87 58.06 1k90 n SER 668 Cb 0.05 -0.79 0.70 0.00 -0.75 0.00 0.00 64.21 63.41 1k90 n SER 668 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1k90 h SER 669 N -1.00 0.00 1.17 -3.46 4.64 -1.81 -0.57 113.55 112.53 1k90 h SER 669 Ca -0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 1k90 h SER 669 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 1k90 h SER 669 CO -0.24 0.00 -0.58 -0.29 -0.87 0.00 0.00 176.83 174.85 1k90 h ILE 670 N 0.00 0.00 -1.43 0.95 -0.00 -1.76 -3.33 117.51 111.94 1k90 h ILE 670 Ca 0.00 -0.75 -0.61 0.00 -0.00 0.00 0.00 64.86 63.49 1k90 h ILE 670 Cb 0.47 1.42 -0.21 0.00 -0.00 0.00 0.00 36.82 38.50 1k90 h ILE 670 CO 0.00 0.00 0.73 -1.14 -0.00 0.00 0.00 178.15 177.74 1k90 n ARG 671 N -2.50 2.69 -0.06 2.19 0.63 -0.22 -3.92 116.66 115.47 1k90 n ARG 671 Ca 0.02 -2.87 -0.11 0.00 -0.92 0.00 0.00 57.85 53.98 1k90 n ARG 671 Cb 0.49 -2.22 -0.05 0.00 0.45 0.00 0.00 32.46 31.14 1k90 n ARG 671 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1k90 n ARG 672 N 0.38 0.28 -0.94 -0.14 5.12 -1.25 -4.52 116.66 115.60 1k90 n ARG 672 Ca 0.51 0.09 -0.19 0.00 -1.93 0.00 0.00 57.85 56.34 1k90 n ARG 672 Cb 0.42 -1.09 0.05 0.00 -1.16 0.00 0.00 32.46 30.68 1k90 n ARG 672 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 1k90 n SER 673 N -3.22 6.38 0.00 0.55 3.41 -1.25 -5.20 113.62 114.29 1k90 n SER 673 Ca -0.23 -3.15 0.00 0.00 -0.26 0.00 0.00 58.87 55.23 1k90 n SER 673 Cb 0.70 -1.01 0.00 0.00 -0.26 0.00 0.00 64.21 63.63 1k90 n SER 673 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1k90 n SER 674 N 0.10 0.23 -2.89 4.04 2.88 -1.26 -5.10 113.62 111.62 1k90 n SER 674 Ca 0.35 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.75 1k90 n SER 674 Cb 0.64 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.10 1k90 n SER 674 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1k90 n SER 693 N 0.00 1.29 -4.33 -3.46 2.88 -1.26 -4.88 113.62 103.86 1k90 n SER 693 Ca 0.00 -2.88 -0.43 0.00 -1.33 0.00 0.00 58.87 54.23 1k90 n SER 693 Cb 0.00 -0.57 -0.08 0.00 -0.75 0.00 0.00 64.21 62.81 1k90 n SER 693 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1k90 s VAL 694 N -2.89 4.86 -2.38 2.46 1.01 -1.26 -4.87 120.40 117.33 1k90 s VAL 694 Ca 0.33 -1.24 0.28 0.00 0.00 0.00 0.00 61.98 61.35 1k90 s VAL 694 Cb 0.41 -3.95 0.61 0.00 0.00 0.00 0.00 36.38 33.45 1k90 s VAL 694 CO -0.02 -0.59 1.82 1.17 0.00 0.00 0.00 175.10 177.48 1k90 n LYS 695 N 5.10 1.53 -0.03 2.72 4.81 -1.26 -3.90 118.16 127.13 1k90 n LYS 695 Ca -0.12 -0.77 0.03 0.00 -0.87 0.00 0.00 58.31 56.58 1k90 n LYS 695 Cb 0.43 -1.47 0.39 0.00 0.02 0.00 0.00 35.03 34.40 1k90 n LYS 695 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1k90 h LYS 696 N 1.85 0.61 -0.00 1.64 1.57 -1.95 -2.00 116.57 118.28 1k90 h LYS 696 Ca 0.00 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1k90 h LYS 696 Cb 0.39 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 1k90 h LYS 696 CO 0.00 0.42 0.00 0.82 -0.57 0.00 0.00 179.45 180.12 1k90 h ILE 697 N 0.63 1.20 0.00 1.86 2.04 -1.87 0.67 117.51 122.04 1k90 h ILE 697 Ca 0.17 -0.60 0.00 0.00 1.00 0.00 0.00 64.86 65.43 1k90 h ILE 697 Cb -0.05 1.61 0.00 0.00 -0.74 0.00 0.00 36.82 37.64 1k90 h ILE 697 CO -0.03 0.16 0.00 0.00 0.00 0.00 0.00 178.15 178.27 1k90 h ALA 698 N 0.75 1.00 0.00 1.87 0.00 -1.72 -1.32 119.26 119.84 1k90 h ALA 698 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 1k90 h ALA 698 Cb 0.26 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1k90 h ALA 698 CO 0.00 0.00 -0.91 0.78 0.00 0.00 0.00 179.25 179.12 1k90 h GLY 699 N 0.32 0.00 -0.14 0.00 0.00 -0.59 -3.22 103.07 99.44 1k90 h GLY 699 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 47.33 47.51 1k90 h GLY 699 CO 0.00 0.00 0.26 -0.97 0.00 0.00 0.00 176.54 175.83 1k90 h TYR 700 N -1.00 0.41 -0.43 5.60 0.99 0.79 0.97 116.97 124.30 1k90 h TYR 700 Ca -0.19 0.04 -0.06 0.00 2.00 0.00 0.00 58.73 60.53 1k90 h TYR 700 Cb 0.94 -0.06 -0.02 0.00 1.00 0.00 0.00 36.73 38.59 1k90 h TYR 700 CO -0.04 -0.08 0.04 -0.07 -0.00 0.00 0.00 178.16 178.01 1k90 h LEU 701 N 0.32 0.64 -0.10 3.88 3.38 -1.44 0.22 115.31 122.21 1k90 h LEU 701 Ca 0.47 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.32 1k90 h LEU 701 Cb 0.85 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1k90 h LEU 701 CO -0.53 0.69 0.00 -0.24 0.09 0.00 0.00 178.44 178.45 1k90 n SER 702 N -4.26 0.10 -0.08 -0.43 2.88 0.31 -2.26 113.62 109.88 1k90 n SER 702 Ca 0.02 0.52 -0.19 0.00 -1.33 0.00 0.00 58.87 57.90 1k90 n SER 702 Cb 0.25 -0.55 -0.13 0.00 -0.75 0.00 0.00 64.21 63.04 1k90 n SER 702 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1k90 n ASP 703 N -1.61 2.00 -0.29 -3.46 8.00 0.39 -4.09 116.55 117.49 1k90 n ASP 703 Ca 0.04 -0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.52 1k90 n ASP 703 Cb 0.19 -0.54 0.13 0.00 -0.02 0.00 0.00 41.12 40.88 1k90 n ASP 703 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1k90 h TYR 704 N 0.02 0.91 -1.95 1.24 3.20 -0.34 -1.77 116.97 118.28 1k90 h TYR 704 Ca -0.53 0.03 -0.75 0.00 3.14 0.00 0.00 58.73 60.62 1k90 h TYR 704 Cb 1.95 -0.29 -0.26 0.00 1.54 0.00 0.00 36.73 39.67 1k90 h TYR 704 CO 0.05 0.45 1.05 0.66 -1.64 0.00 0.00 178.16 178.73 1k90 n TYR 705 N -4.66 2.79 -2.93 -3.82 4.02 -0.96 -4.95 117.16 106.65 1k90 n TYR 705 Ca 0.11 -2.36 -0.43 0.00 -0.01 0.00 0.00 57.90 55.21 1k90 n TYR 705 Cb 0.18 -1.23 -0.05 0.00 -0.02 0.00 0.00 39.34 38.22 1k90 n TYR 705 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 176.86 177.06 1k90 s ASN 706 N -0.96 6.35 0.00 7.72 2.47 -0.67 -4.91 114.94 124.94 1k90 s ASN 706 Ca 0.49 -0.33 0.00 0.00 0.42 0.00 0.00 52.86 53.44 1k90 s ASN 706 Cb 0.36 -2.40 0.00 0.00 -1.45 0.00 0.00 41.25 37.77 1k90 s ASN 706 CO -0.32 -1.06 0.09 -1.20 -3.72 0.00 0.00 177.10 170.90 1k90 n SER 707 N 6.98 0.17 -0.25 -4.21 7.64 -1.26 -1.54 113.62 121.16 1k90 n SER 707 Ca 0.01 -0.36 0.08 0.00 1.01 0.00 0.00 58.87 59.61 1k90 n SER 707 Cb 0.47 -0.08 -0.03 0.00 -1.01 0.00 0.00 64.21 63.56 1k90 n SER 707 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1k90 n ALA 708 N 0.37 3.53 1.15 -0.43 0.00 -1.26 -4.39 120.51 119.47 1k90 n ALA 708 Ca 0.00 -0.52 0.06 0.00 0.00 0.00 0.00 53.44 52.98 1k90 n ALA 708 Cb 0.04 -0.59 0.35 0.00 0.00 0.00 0.00 19.45 19.25 1k90 n ALA 708 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1k90 n ASN 709 N -0.55 0.00 -0.31 0.00 4.13 -0.59 -3.77 115.26 114.17 1k90 n ASN 709 Ca 0.06 -0.78 0.00 0.00 1.68 0.00 0.00 54.58 55.54 1k90 n ASN 709 Cb 0.32 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.56 1k90 n ASN 709 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1k90 n HIS 710 N -0.82 0.00 -0.03 3.10 1.44 -1.26 -2.52 115.22 115.13 1k90 n HIS 710 Ca 0.09 0.00 -0.03 0.00 -2.01 0.00 0.00 57.72 55.77 1k90 n HIS 710 Cb 0.04 -0.06 -0.04 0.00 0.12 0.00 0.00 29.99 30.06 1k90 n HIS 710 CO 0.00 0.00 0.00 0.44 -2.81 0.00 0.00 176.34 173.97 1k90 n ILE 711 N -0.16 0.34 -0.89 0.61 -5.35 -1.25 -5.04 119.36 107.63 1k90 n ILE 711 Ca 0.00 -0.19 -0.31 0.00 -0.27 0.00 0.00 62.75 61.99 1k90 n ILE 711 Cb 0.14 -0.83 0.26 0.00 -1.74 0.00 0.00 39.64 37.48 1k90 n ILE 711 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1k90 s PHE 712 N -2.12 -0.17 0.31 4.28 2.99 -1.05 -5.07 117.98 117.16 1k90 s PHE 712 Ca -0.04 0.41 0.10 0.00 0.00 0.00 0.00 56.93 57.39 1k90 s PHE 712 Cb 0.02 -3.34 -0.05 0.00 0.00 0.00 0.00 43.02 39.64 1k90 s PHE 712 CO 0.18 -4.37 -0.01 -1.54 -0.00 0.00 0.00 175.22 169.48 1k90 s SER 713 N -3.82 4.23 0.23 1.36 1.04 -1.26 -4.88 113.70 110.60 1k90 s SER 713 Ca 0.71 -0.88 -0.06 0.00 0.48 0.00 0.00 55.95 56.20 1k90 s SER 713 Cb -0.08 -0.60 0.39 0.00 0.10 0.00 0.00 66.02 65.82 1k90 s SER 713 CO 0.56 -0.13 1.75 1.56 0.98 0.00 0.00 173.24 177.95 1k90 h GLN 714 N 1.88 0.47 -0.51 4.02 1.08 -1.97 1.82 115.11 121.90 1k90 h GLN 714 Ca -0.43 -0.03 0.06 0.00 -1.45 0.00 0.00 58.65 56.80 1k90 h GLN 714 Cb 1.25 -0.11 -0.05 0.00 -0.05 0.00 0.00 27.48 28.52 1k90 h GLN 714 CO 0.64 0.31 0.21 1.49 -0.95 0.00 0.00 178.83 180.53 1k90 h GLU 715 N 0.49 0.40 0.32 1.46 4.57 -2.00 -1.39 114.58 118.43 1k90 h GLU 715 Ca 0.38 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.52 1k90 h GLU 715 Cb 0.50 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.01 1k90 h GLU 715 CO -0.34 0.26 -0.15 -0.22 -1.18 0.00 0.00 179.01 177.38 1k90 h LYS 716 N 0.41 -0.41 -0.48 1.92 1.63 -0.89 -3.04 116.57 115.71 1k90 h LYS 716 Ca 0.24 0.03 0.04 0.00 -0.85 0.00 0.00 60.65 60.11 1k90 h LYS 716 Cb 0.22 0.09 -0.06 0.00 -0.60 0.00 0.00 32.23 31.89 1k90 h LYS 716 CO -0.22 -0.28 -0.28 1.63 -3.45 0.00 0.00 179.45 176.86 1k90 n LYS 717 N -4.05 -0.21 -0.30 1.90 5.02 0.58 0.68 118.16 121.78 1k90 n LYS 717 Ca -0.05 1.02 -0.03 0.00 -2.02 0.00 0.00 58.31 57.23 1k90 n LYS 717 Cb 0.17 -1.50 0.03 0.00 -0.02 0.00 0.00 35.03 33.71 1k90 n LYS 717 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1k90 h ARG 718 N 0.00 -0.07 -0.17 1.97 3.08 -1.37 0.33 114.38 118.15 1k90 h ARG 718 Ca 0.08 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.17 1k90 h ARG 718 Cb 0.20 0.02 -0.07 0.00 0.08 0.00 0.00 29.97 30.19 1k90 h ARG 718 CO -0.45 -0.05 -0.50 0.87 -1.07 0.00 0.00 179.97 178.77 1k90 h LYS 719 N -0.07 -0.51 0.00 0.04 1.79 0.38 0.30 116.57 118.49 1k90 h LYS 719 Ca 0.30 0.03 -0.08 0.00 -2.18 0.00 0.00 60.65 58.72 1k90 h LYS 719 Cb 0.58 0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 31.33 1k90 h LYS 719 CO -0.84 -0.34 -0.37 -0.84 -1.08 0.00 0.00 179.45 175.98 1k90 h ILE 720 N -0.53 1.04 -0.17 1.86 3.07 -0.44 -2.37 117.51 119.98 1k90 h ILE 720 Ca 0.06 -1.38 -0.11 0.00 1.55 0.00 0.00 64.86 64.98 1k90 h ILE 720 Cb 0.66 1.80 0.00 0.00 -0.27 0.00 0.00 36.82 39.00 1k90 h ILE 720 CO -0.45 0.36 -0.32 0.28 -1.05 0.00 0.00 178.15 176.98 1k90 h SER 721 N 0.00 0.57 0.02 2.16 0.02 0.23 0.32 113.55 116.88 1k90 h SER 721 Ca -0.00 -0.54 -0.00 0.00 -0.84 0.00 0.00 61.79 60.40 1k90 h SER 721 Cb 0.77 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 63.14 1k90 h SER 721 CO 0.05 1.01 -0.02 0.40 -1.14 0.00 0.00 176.83 177.13 1k90 h ILE 722 N 0.16 0.96 0.00 3.27 2.04 -0.26 0.80 117.51 124.48 1k90 h ILE 722 Ca 0.01 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1k90 h ILE 722 Cb 0.91 1.04 0.00 0.00 -0.74 0.00 0.00 36.82 38.02 1k90 h ILE 722 CO 0.07 0.02 -0.03 0.15 0.00 0.00 0.00 178.15 178.36 1k90 h PHE 723 N 0.00 0.00 -1.59 1.37 3.57 -1.15 -2.82 116.94 116.32 1k90 h PHE 723 Ca -0.00 0.00 0.49 0.00 3.53 0.00 0.00 57.97 61.99 1k90 h PHE 723 Cb 0.04 0.00 -0.11 0.00 2.79 0.00 0.00 35.95 38.67 1k90 h PHE 723 CO 0.00 0.00 1.09 0.00 -2.23 0.00 0.00 178.31 177.17 1k90 h ARG 724 N -0.45 0.03 0.33 1.11 3.08 -0.31 0.38 114.38 118.56 1k90 h ARG 724 Ca 0.00 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1k90 h ARG 724 Cb 0.03 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1k90 h ARG 724 CO 0.00 0.02 -0.16 0.78 -1.07 0.00 0.00 179.97 179.54 1k90 h GLY 725 N 0.03 -0.47 1.87 0.04 0.00 -0.93 -3.03 103.07 100.59 1k90 h GLY 725 Ca 0.87 0.17 0.01 0.00 0.00 0.00 0.00 47.33 48.38 1k90 h GLY 725 CO -0.24 -0.17 0.05 -2.22 0.00 0.00 0.00 176.54 173.96 1k90 h ILE 726 N -0.97 0.33 -0.78 2.60 2.04 -0.14 0.33 117.51 120.91 1k90 h ILE 726 Ca -0.05 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.81 1k90 h ILE 726 Cb 0.51 0.95 -0.04 0.00 -0.74 0.00 0.00 36.82 37.50 1k90 h ILE 726 CO 0.08 0.00 0.49 1.56 0.00 0.00 0.00 178.15 180.28 1k90 h GLN 727 N 0.00 1.05 -0.06 2.37 4.20 -0.57 -1.71 115.11 120.40 1k90 h GLN 727 Ca 0.02 -0.08 -0.16 0.00 0.06 0.00 0.00 58.65 58.48 1k90 h GLN 727 Cb 0.12 -0.23 0.01 0.00 0.30 0.00 0.00 27.48 27.69 1k90 h GLN 727 CO -0.00 0.72 -0.60 0.00 -0.67 0.00 0.00 178.83 178.29 1k90 h ALA 728 N 1.27 0.15 0.00 3.87 0.00 -0.32 -1.59 119.26 122.63 1k90 h ALA 728 Ca 0.28 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1k90 h ALA 728 Cb -0.07 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1k90 h ALA 728 CO -0.06 0.41 0.04 0.98 0.00 0.00 0.00 179.25 180.62 1k90 n TYR 729 N -4.18 0.00 -0.10 0.00 9.36 -0.17 -0.77 117.16 121.29 1k90 n TYR 729 Ca -0.09 0.00 -0.22 0.00 3.32 0.00 0.00 57.90 60.91 1k90 n TYR 729 Cb 0.66 -0.35 -0.07 0.00 -0.63 0.00 0.00 39.34 38.94 1k90 n TYR 729 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 1k90 n ASN 730 N -1.34 1.49 0.00 2.98 5.15 -0.68 -3.36 115.26 119.50 1k90 n ASN 730 Ca 0.00 0.24 0.05 0.00 -0.60 0.00 0.00 54.58 54.27 1k90 n ASN 730 Cb 0.04 -0.60 0.28 0.00 -0.53 0.00 0.00 39.78 38.97 1k90 n ASN 730 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1k90 n GLU 731 N -3.90 0.24 -0.05 1.20 4.07 -0.62 -0.86 120.64 120.72 1k90 n GLU 731 Ca -0.41 0.09 -0.05 0.00 -0.06 0.00 0.00 57.16 56.73 1k90 n GLU 731 Cb 0.79 -1.50 -0.09 0.00 -0.06 0.00 0.00 31.44 30.58 1k90 n GLU 731 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 1k90 n ILE 732 N -1.13 0.76 0.13 6.31 5.41 0.05 -4.08 119.36 126.80 1k90 n ILE 732 Ca 0.06 -0.48 -0.02 0.00 1.00 0.00 0.00 62.75 63.31 1k90 n ILE 732 Cb 0.06 -0.64 0.20 0.00 -0.71 0.00 0.00 39.64 38.55 1k90 n ILE 732 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 1k90 h GLU 733 N 0.00 0.09 0.14 0.38 4.57 -1.00 -2.96 114.58 115.81 1k90 h GLU 733 Ca -0.30 -0.06 -0.28 0.00 -1.18 0.00 0.00 59.36 57.54 1k90 h GLU 733 Cb 1.66 0.01 0.01 0.00 -0.16 0.00 0.00 28.75 30.26 1k90 h GLU 733 CO 0.02 0.61 -1.27 -2.95 -1.18 0.00 0.00 179.01 174.24 1k90 h ASN 734 N 0.07 0.50 -0.60 1.04 7.08 -1.56 -3.18 115.58 118.94 1k90 h ASN 734 Ca -0.00 -0.53 0.08 0.00 -3.08 0.00 0.00 56.30 52.76 1k90 h ASN 734 Cb 0.97 -0.16 -0.04 0.00 -2.08 0.00 0.00 38.32 37.01 1k90 h ASN 734 CO 0.07 1.41 0.40 0.58 -2.08 0.00 0.00 177.43 177.81 1k90 h VAL 735 N 0.10 0.96 0.00 6.14 2.07 -1.68 0.62 116.25 124.45 1k90 h VAL 735 Ca -0.15 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.19 1k90 h VAL 735 Cb 1.99 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 1k90 h VAL 735 CO 0.21 0.09 0.00 0.18 0.02 0.00 0.00 177.57 178.08 1k90 n LEU 736 N -4.48 0.69 -0.08 2.57 4.77 -1.13 -2.78 117.00 116.56 1k90 n LEU 736 Ca 0.09 -0.35 0.03 0.00 -0.03 0.00 0.00 56.01 55.75 1k90 n LEU 736 Cb 0.29 -0.27 0.04 0.00 -2.33 0.00 0.00 43.42 41.14 1k90 n LEU 736 CO 0.34 0.15 0.43 0.29 -1.33 0.00 0.00 177.39 177.28 1k90 n LYS 737 N 0.30 1.55 -2.75 3.23 4.76 0.21 -4.83 118.16 120.64 1k90 n LYS 737 Ca 0.00 -1.51 -0.43 0.00 -2.87 0.00 0.00 58.31 53.50 1k90 n LYS 737 Cb 0.15 -0.96 -0.03 0.00 -1.84 0.00 0.00 35.03 32.35 1k90 n LYS 737 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1k90 s SER 738 N -1.29 6.52 0.00 4.39 0.01 -1.12 -4.78 113.70 117.43 1k90 s SER 738 Ca 0.08 0.18 0.00 0.00 1.31 0.00 0.00 55.95 57.52 1k90 s SER 738 Cb 0.07 -2.48 0.00 0.00 0.21 0.00 0.00 66.02 63.82 1k90 s SER 738 CO 0.01 -1.14 0.00 0.29 0.41 0.00 0.00 173.24 172.81 1k90 n LYS 739 N 7.44 0.00 -3.48 12.44 4.76 -1.26 -4.23 118.16 133.82 1k90 n LYS 739 Ca 0.08 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.40 1k90 n LYS 739 Cb 0.49 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.66 1k90 n LYS 739 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1k90 n GLN 740 N 0.00 0.63 -3.56 1.97 6.02 -1.26 -5.02 117.38 116.17 1k90 n GLN 740 Ca 0.00 -2.20 -0.10 0.00 -0.01 0.00 0.00 57.00 54.69 1k90 n GLN 740 Cb 0.00 2.20 -0.04 0.00 1.02 0.00 0.00 30.24 33.42 1k90 n GLN 740 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1k90 s ILE 741 N -2.67 0.00 0.00 5.09 -1.09 -1.26 -5.05 121.20 116.23 1k90 s ILE 741 Ca 0.22 0.00 0.00 0.00 -2.23 0.00 0.00 60.65 58.64 1k90 s ILE 741 Cb -0.01 -1.00 0.00 0.00 -1.58 0.00 0.00 42.46 39.87 1k90 s ILE 741 CO 0.16 0.00 0.00 0.00 -1.23 0.00 0.00 174.94 173.87 1k90 n ALA 742 N 0.44 0.00 0.00 9.38 0.00 -1.26 -4.52 120.51 124.55 1k90 n ALA 742 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1k90 n ALA 742 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 1k90 n ALA 742 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1k90 n PRO 743 N 0.00 0.00 0.00 0.00 -0.02 -1.26 0.12 135.00 133.84 1k90 n PRO 743 Ca 0.00 0.12 0.14 0.00 -2.02 0.00 0.00 63.50 61.74 1k90 n PRO 743 Cb 0.00 -1.81 0.65 0.00 -0.02 0.00 0.00 33.50 32.32 1k90 n PRO 743 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1k90 n GLU 744 N -1.06 0.82 -0.04 -0.52 1.02 -1.26 -3.00 120.64 116.59 1k90 n GLU 744 Ca 0.00 -0.27 0.00 0.00 -0.02 0.00 0.00 57.16 56.88 1k90 n GLU 744 Cb 0.31 -1.49 -0.11 0.00 -0.02 0.00 0.00 31.44 30.13 1k90 n GLU 744 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1k90 n TYR 745 N -0.86 0.00 -0.12 -0.32 4.02 0.32 -4.31 117.16 115.89 1k90 n TYR 745 Ca 0.16 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.99 1k90 n TYR 745 Cb 0.26 -0.51 0.03 0.00 -0.02 0.00 0.00 39.34 39.09 1k90 n TYR 745 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 1k90 h LYS 746 N 0.00 0.34 -0.04 -0.72 3.64 -1.58 -2.42 116.57 115.79 1k90 h LYS 746 Ca -0.19 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.07 1k90 h LYS 746 Cb 1.27 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 33.00 1k90 h LYS 746 CO 0.01 0.23 -0.42 -0.91 -2.27 0.00 0.00 179.45 176.09 1k90 h ASN 747 N 0.35 0.10 0.48 4.20 4.21 -1.78 -0.57 115.58 122.56 1k90 h ASN 747 Ca 0.18 -0.04 -0.02 0.00 1.21 0.00 0.00 56.30 57.64 1k90 h ASN 747 Cb 0.13 -0.03 -0.01 0.00 -1.12 0.00 0.00 38.32 37.29 1k90 h ASN 747 CO -0.15 0.51 -0.33 0.22 -1.29 0.00 0.00 177.43 176.38 1k90 h TYR 748 N 0.08 -0.87 -0.22 1.19 3.20 -1.63 0.29 116.97 119.01 1k90 h TYR 748 Ca 0.00 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 1k90 h TYR 748 Cb 0.78 0.32 -0.01 0.00 1.54 0.00 0.00 36.73 39.36 1k90 h TYR 748 CO 0.01 -0.49 0.04 0.74 -1.64 0.00 0.00 178.16 176.81 1k90 h PHE 749 N -0.78 0.38 -0.38 -3.82 0.04 -1.50 0.64 116.94 111.52 1k90 h PHE 749 Ca -0.05 -0.05 0.11 0.00 2.80 0.00 0.00 57.97 60.77 1k90 h PHE 749 Cb 0.66 -0.11 -0.02 0.00 2.20 0.00 0.00 35.95 38.69 1k90 h PHE 749 CO -0.12 0.49 0.40 0.37 -0.60 0.00 0.00 178.31 178.85 1k90 h GLN 750 N 0.16 0.00 0.14 1.51 4.15 -0.94 1.50 115.11 121.63 1k90 h GLN 750 Ca 0.07 0.00 -0.36 0.00 0.77 0.00 0.00 58.65 59.13 1k90 h GLN 750 Cb 0.32 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.00 1k90 h GLN 750 CO 0.00 0.00 -1.90 -0.92 -1.93 0.00 0.00 178.83 174.09 1k90 h TYR 751 N 0.00 0.53 -0.47 3.99 3.20 0.43 -3.26 116.97 121.38 1k90 h TYR 751 Ca 0.18 -0.39 -0.06 0.00 3.14 0.00 0.00 58.73 61.61 1k90 h TYR 751 Cb 0.98 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 39.21 1k90 h TYR 751 CO 0.00 1.70 0.06 1.25 -1.64 0.00 0.00 178.16 179.54 1k90 h LEU 752 N 0.08 0.70 -0.12 2.82 6.46 0.45 0.77 115.31 126.47 1k90 h LEU 752 Ca -0.39 -0.14 0.01 0.00 -0.12 0.00 0.00 57.88 57.24 1k90 h LEU 752 Cb 2.05 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 41.79 1k90 h LEU 752 CO 0.12 0.73 0.04 0.11 -0.62 0.00 0.00 178.44 178.82 1k90 h LYS 753 N 0.71 0.10 -0.78 1.25 1.57 0.17 0.18 116.57 119.77 1k90 h LYS 753 Ca 0.15 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1k90 h LYS 753 Cb 0.35 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.60 1k90 h LYS 753 CO 0.01 0.07 0.48 1.49 -0.57 0.00 0.00 179.45 180.93 1k90 h GLU 754 N 0.10 1.05 0.00 3.15 4.81 -1.46 0.52 114.58 122.74 1k90 h GLU 754 Ca 0.05 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 1k90 h GLU 754 Cb 0.02 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 29.17 1k90 h GLU 754 CO -0.05 0.72 -0.16 0.00 -0.73 0.00 0.00 179.01 178.80 1k90 h ARG 755 N 1.07 0.00 0.04 1.92 3.08 0.39 -0.69 114.38 120.19 1k90 h ARG 755 Ca 0.28 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 60.01 1k90 h ARG 755 Cb -0.07 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 29.94 1k90 h ARG 755 CO -0.06 0.16 -1.82 -0.89 -1.07 0.00 0.00 179.97 176.30 1k90 n ILE 756 N -3.73 1.66 0.43 2.04 5.41 0.51 -3.44 119.36 122.24 1k90 n ILE 756 Ca -0.02 -0.75 -0.17 0.00 1.00 0.00 0.00 62.75 62.82 1k90 n ILE 756 Cb 0.27 -1.26 -0.08 0.00 -0.71 0.00 0.00 39.64 37.86 1k90 n ILE 756 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 1k90 h THR 757 N 0.02 0.00 -1.04 1.39 2.02 0.39 -1.48 112.91 114.20 1k90 h THR 757 Ca -0.34 -0.00 0.27 0.00 0.77 0.00 0.00 66.41 67.11 1k90 h THR 757 Cb 2.02 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 68.34 1k90 h THR 757 CO 0.08 0.00 0.67 0.78 0.37 0.00 0.00 175.52 177.42 1k90 h ASN 758 N -1.09 0.44 0.18 4.18 2.35 -1.31 0.81 115.58 121.15 1k90 h ASN 758 Ca -0.11 0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.71 1k90 h ASN 758 Cb 0.83 0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.21 1k90 h ASN 758 CO 0.18 0.08 -0.09 -0.61 -1.65 0.00 0.00 177.43 175.35 1k90 h GLN 759 N 0.39 -0.23 0.46 0.81 5.75 -1.33 -2.77 115.11 118.19 1k90 h GLN 759 Ca 0.60 0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 59.09 1k90 h GLN 759 Cb 1.52 0.05 0.00 0.00 1.07 0.00 0.00 27.48 30.13 1k90 h GLN 759 CO -0.30 0.13 -0.22 0.28 -2.65 0.00 0.00 178.83 176.07 1k90 h VAL 760 N -0.66 0.47 0.00 2.39 2.07 -0.58 -2.11 116.25 117.83 1k90 h VAL 760 Ca -0.02 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.11 1k90 h VAL 760 Cb 0.48 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1k90 h VAL 760 CO 0.04 0.06 0.08 1.67 0.02 0.00 0.00 177.57 179.44 1k90 n GLN 761 N -5.26 0.00 -0.11 1.57 -0.06 0.22 0.11 117.38 113.84 1k90 n GLN 761 Ca -0.11 0.21 -0.15 0.00 -2.00 0.00 0.00 57.00 54.95 1k90 n GLN 761 Cb 0.30 -1.58 -0.13 0.00 -4.06 0.00 0.00 30.24 24.77 1k90 n GLN 761 CO 0.00 0.00 0.00 -0.11 -0.20 0.00 0.00 177.06 176.75 1k90 n LEU 762 N -1.16 1.98 0.11 1.69 7.94 -1.00 -3.51 117.00 123.05 1k90 n LEU 762 Ca 0.00 -0.06 0.12 0.00 -1.11 0.00 0.00 56.01 54.96 1k90 n LEU 762 Cb 0.08 -0.46 0.46 0.00 0.53 0.00 0.00 43.42 44.02 1k90 n LEU 762 CO 0.00 0.78 0.87 0.18 -1.11 0.00 0.00 177.39 178.11 1k90 n LEU 763 N -3.11 0.69 -0.07 -1.96 4.77 0.30 -2.74 117.00 114.88 1k90 n LEU 763 Ca -0.40 0.62 -0.20 0.00 -0.03 0.00 0.00 56.01 56.00 1k90 n LEU 763 Cb 1.05 -0.47 -0.12 0.00 -2.33 0.00 0.00 43.42 41.55 1k90 n LEU 763 CO 0.33 -0.38 -0.28 -0.07 -1.33 0.00 0.00 177.39 175.66 1k90 h LEU 764 N 0.00 0.08 0.00 2.23 3.38 -1.16 -3.28 115.31 116.57 1k90 h LEU 764 Ca 0.00 -0.71 0.00 0.00 0.09 0.00 0.00 57.88 57.26 1k90 h LEU 764 Cb 0.52 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1k90 h LEU 764 CO 0.00 1.40 0.00 0.35 0.09 0.00 0.00 178.44 180.28 1k90 n THR 765 N -4.36 0.97 1.13 0.22 -2.24 -1.20 0.95 114.28 109.75 1k90 n THR 765 Ca -0.25 0.24 0.12 0.00 -2.27 0.00 0.00 64.05 61.89 1k90 n THR 765 Cb 0.68 -1.13 0.26 0.00 -2.10 0.00 0.00 70.33 68.05 1k90 n THR 765 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1k90 n HIS 766 N -1.32 0.00 0.00 4.78 -0.00 -1.11 -4.81 115.22 112.76 1k90 n HIS 766 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.75 1k90 n HIS 766 Cb 0.06 -0.14 0.00 0.00 -0.00 0.00 0.00 29.99 29.91 1k90 n HIS 766 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 1k90 n GLN 767 N -0.89 0.00 0.00 1.57 6.02 0.27 -5.08 117.38 119.27 1k90 n GLN 767 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.08 1k90 n GLN 767 Cb 0.36 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.62 1k90 n GLN 767 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1k90 n LYS 768 N -0.51 0.00 0.00 -1.09 4.81 -0.05 -5.08 118.16 116.24 1k90 n LYS 768 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1k90 n LYS 768 Cb 0.00 -0.10 0.00 0.00 0.02 0.00 0.00 35.03 34.95 1k90 n LYS 768 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1k90 n PHE 773 N 0.00 0.00 0.29 5.64 7.35 -1.26 -4.93 117.46 124.55 1k90 n PHE 773 Ca 0.00 0.00 0.14 0.00 -0.76 0.00 0.00 57.45 56.83 1k90 n PHE 773 Cb 0.00 0.05 0.88 0.00 0.35 0.00 0.00 39.48 40.76 1k90 n PHE 773 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 1k90 h LYS 774 N 0.00 0.00 0.17 -4.13 3.64 -2.01 -2.14 116.57 112.11 1k90 h LYS 774 Ca 0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1k90 h LYS 774 Cb 0.40 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1k90 h LYS 774 CO 0.00 0.01 -0.08 -0.07 -2.27 0.00 0.00 179.45 177.04 1k90 h LEU 775 N 0.00 -0.19 -0.43 5.20 4.07 -2.06 -3.21 115.31 118.69 1k90 h LEU 775 Ca -0.00 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.97 1k90 h LEU 775 Cb 0.02 0.05 0.00 0.00 1.08 0.00 0.00 40.66 41.81 1k90 h LEU 775 CO 0.00 -0.03 0.18 0.18 -1.08 0.00 0.00 178.44 177.69 1k90 n LEU 776 N -3.22 0.17 0.02 1.67 4.32 -1.12 -0.64 117.00 118.20 1k90 n LEU 776 Ca -0.03 0.46 -0.18 0.00 -0.02 0.00 0.00 56.01 56.24 1k90 n LEU 776 Cb 0.09 -0.45 -0.13 0.00 -1.62 0.00 0.00 43.42 41.32 1k90 n LEU 776 CO 0.07 -0.51 0.18 0.22 -1.22 0.00 0.00 177.39 176.12 1k90 h TYR 777 N 0.00 0.55 0.00 -1.77 3.20 -1.39 -3.15 116.97 114.41 1k90 h TYR 777 Ca 0.00 -0.34 0.00 0.00 3.14 0.00 0.00 58.73 61.53 1k90 h TYR 777 Cb 0.36 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.59 1k90 h TYR 777 CO 0.00 1.20 0.15 1.63 -1.64 0.00 0.00 178.16 179.50 1k90 n LYS 778 N -4.20 0.02 -0.87 1.82 5.02 0.19 -1.23 118.16 118.90 1k90 n LYS 778 Ca -0.12 0.41 -0.10 0.00 -2.02 0.00 0.00 58.31 56.48 1k90 n LYS 778 Cb 0.72 -1.71 -0.06 0.00 -0.02 0.00 0.00 35.03 33.96 1k90 n LYS 778 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1k90 n GLN 779 N -1.50 1.66 -1.55 1.97 1.13 -1.19 -4.91 117.38 112.98 1k90 n GLN 779 Ca -0.00 -0.91 -0.38 0.00 -1.94 0.00 0.00 57.00 53.76 1k90 n GLN 779 Cb 0.15 -1.59 0.04 0.00 0.11 0.00 0.00 30.24 28.95 1k90 n GLN 779 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1k90 n LEU 780 N 1.56 2.36 -2.39 1.08 4.77 -0.37 -4.88 117.00 119.14 1k90 n LEU 780 Ca 0.26 0.78 -0.19 0.00 -0.03 0.00 0.00 56.01 56.83 1k90 n LEU 780 Cb 0.66 -1.29 0.02 0.00 -2.33 0.00 0.00 43.42 40.48 1k90 n LEU 780 CO 0.15 -2.37 0.11 0.59 -1.33 0.00 0.00 177.39 174.54 1k90 n ASN 781 N -0.16 3.86 -0.42 -1.43 3.02 -1.26 -4.90 115.26 113.96 1k90 n ASN 781 Ca 0.13 -3.33 0.33 0.00 -0.03 0.00 0.00 54.58 51.68 1k90 n ASN 781 Cb 0.47 -0.43 0.53 0.00 -0.61 0.00 0.00 39.78 39.74 1k90 n ASN 781 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1k90 n PHE 782 N -0.53 0.23 -0.22 3.10 0.99 -1.26 -4.64 117.46 115.13 1k90 n PHE 782 Ca 0.32 0.23 -0.10 0.00 -0.00 0.00 0.00 57.45 57.89 1k90 n PHE 782 Cb 0.82 -0.60 -0.02 0.00 -1.00 0.00 0.00 39.48 38.68 1k90 n PHE 782 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.76 179.17 1k90 n THR 783 N -3.68 0.00 -0.40 4.37 -1.04 -1.26 -4.79 114.28 107.48 1k90 n THR 783 Ca 0.30 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 62.24 1k90 n THR 783 Cb 1.27 -0.09 -0.04 0.00 -1.82 0.00 0.00 70.33 69.66 1k90 n THR 783 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1k90 n GLU 784 N 1.26 -0.34 -3.35 -2.82 -0.58 -1.26 -4.32 120.64 109.23 1k90 n GLU 784 Ca 0.09 1.50 -0.14 0.00 -0.42 0.00 0.00 57.16 58.19 1k90 n GLU 784 Cb -0.01 -2.22 -0.08 0.00 -0.57 0.00 0.00 31.44 28.57 1k90 n GLU 784 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1k90 s ASN 785 N -5.43 1.02 -0.20 1.62 3.84 -1.26 -5.14 114.94 109.39 1k90 s ASN 785 Ca -0.13 -1.02 -0.30 0.00 0.21 0.00 0.00 52.86 51.62 1k90 s ASN 785 Cb 0.15 0.73 0.15 0.00 -0.55 0.00 0.00 41.25 41.73 1k90 s ASN 785 CO 0.65 -0.32 1.13 -0.70 -2.79 0.00 0.00 177.10 175.08 1k90 s GLU 786 N 1.99 0.40 0.00 0.43 2.56 -1.26 -5.00 118.70 117.82 1k90 s GLU 786 Ca 0.13 0.05 0.28 0.00 0.00 0.00 0.00 54.97 55.43 1k90 s GLU 786 Cb -0.14 0.19 0.97 0.00 2.00 0.00 0.00 34.13 37.16 1k90 s GLU 786 CO -0.19 -0.13 1.74 2.41 -0.56 0.00 0.00 175.26 178.53 1k90 n THR 787 N 0.52 0.00 0.21 -1.70 -1.04 -1.26 -3.51 114.28 107.50 1k90 n THR 787 Ca -0.06 -0.01 0.18 0.00 -2.04 0.00 0.00 64.05 62.13 1k90 n THR 787 Cb 0.58 -0.19 0.79 0.00 -1.82 0.00 0.00 70.33 69.69 1k90 n THR 787 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 1k90 h ASP 788 N 0.05 0.00 0.33 8.00 3.58 -1.99 0.15 116.42 126.53 1k90 h ASP 788 Ca 0.00 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 1k90 h ASP 788 Cb 0.49 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.53 1k90 h ASP 788 CO 0.00 0.00 -0.20 0.78 -2.88 0.00 0.00 179.24 176.94 1k90 h ASN 789 N 0.00 -0.50 0.00 2.28 -0.26 -1.90 -1.37 115.58 113.82 1k90 h ASN 789 Ca 0.10 0.03 0.00 0.00 -0.56 0.00 0.00 56.30 55.87 1k90 h ASN 789 Cb 0.84 0.15 0.00 0.00 -1.06 0.00 0.00 38.32 38.25 1k90 h ASN 789 CO -0.00 -0.32 0.05 0.15 -1.06 0.00 0.00 177.43 176.24 1k90 h PHE 790 N -0.51 0.00 0.14 1.19 3.57 -0.98 -2.46 116.94 117.89 1k90 h PHE 790 Ca -0.03 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.46 1k90 h PHE 790 Cb 0.42 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.16 1k90 h PHE 790 CO -0.09 0.00 -0.07 0.93 -2.23 0.00 0.00 178.31 176.85 1k90 h GLU 791 N 0.00 -0.18 -0.17 1.11 4.39 -1.17 -3.06 114.58 115.51 1k90 h GLU 791 Ca 0.00 0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.76 1k90 h GLU 791 Cb 0.09 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 1k90 h GLU 791 CO 0.00 -0.12 0.17 0.28 -1.16 0.00 0.00 179.01 178.19 1k90 h VAL 792 N -0.99 0.53 0.42 3.13 2.07 -1.30 -2.11 116.25 118.00 1k90 h VAL 792 Ca -0.02 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 1k90 h VAL 792 Cb 0.14 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1k90 h VAL 792 CO 0.03 0.00 -0.24 0.15 0.02 0.00 0.00 177.57 177.53 1k90 h PHE 793 N 0.00 -0.64 -1.05 1.57 3.57 -1.51 -2.56 116.94 116.32 1k90 h PHE 793 Ca 0.08 -0.01 0.33 0.00 3.53 0.00 0.00 57.97 61.90 1k90 h PHE 793 Cb 0.43 0.23 -0.14 0.00 2.79 0.00 0.00 35.95 39.25 1k90 h PHE 793 CO 0.00 -0.37 0.62 1.96 -2.23 0.00 0.00 178.31 178.29 1k90 h GLN 794 N -0.61 0.30 -0.34 1.11 1.08 -1.28 0.16 115.11 115.53 1k90 h GLN 794 Ca -0.06 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.11 1k90 h GLN 794 Cb 0.49 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.83 1k90 h GLN 794 CO 0.07 0.20 0.15 0.87 -0.95 0.00 0.00 178.83 179.16 1k90 h LYS 795 N 0.31 0.47 -0.19 1.46 1.57 -1.21 -2.86 116.57 116.11 1k90 h LYS 795 Ca 0.73 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 59.45 1k90 h LYS 795 Cb 1.76 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.97 1k90 h LYS 795 CO -0.55 0.38 0.09 0.82 -0.57 0.00 0.00 179.45 179.62 1k90 h ILE 796 N 0.47 1.14 0.00 1.86 1.08 -0.33 -3.34 117.51 118.38 1k90 h ILE 796 Ca 0.12 -0.41 0.00 0.00 -0.39 0.00 0.00 64.86 64.18 1k90 h ILE 796 Cb 0.08 1.06 0.00 0.00 -3.07 0.00 0.00 36.82 34.89 1k90 h ILE 796 CO -0.01 0.14 0.00 0.00 -0.69 0.00 0.00 178.15 177.58 1k90 n ILE 797 N -4.86 0.00 -0.47 -0.67 0.13 -1.15 -5.16 119.36 107.18 1k90 n ILE 797 Ca -0.04 1.00 0.00 0.00 -1.10 0.00 0.00 62.75 62.62 1k90 n ILE 797 Cb 0.10 -1.95 0.00 0.00 -0.84 0.00 0.00 39.64 36.95 1k90 n ILE 797 CO 0.00 0.00 0.00 -0.67 2.80 0.00 0.00 176.55 178.68