#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pk0 s ILE 293 N 0.00 0.18 -1.33 5.15 1.09 -1.26 -5.08 121.20 119.96 1pk0 s ILE 293 Ca 0.00 -0.77 -0.13 0.00 -1.10 0.00 0.00 60.65 58.65 1pk0 s ILE 293 Cb 0.00 -0.29 0.11 0.00 -1.06 0.00 0.00 42.46 41.22 1pk0 s ILE 293 CO 0.00 -0.37 1.89 -0.67 -0.10 0.00 0.00 174.94 175.69 1pk0 n ASP 294 N 1.86 4.68 -4.39 3.58 2.03 -1.26 -4.95 116.55 118.10 1pk0 n ASP 294 Ca -0.21 -2.96 -0.31 0.00 0.52 0.00 0.00 54.79 51.82 1pk0 n ASP 294 Cb 0.56 -1.61 -0.14 0.00 -0.72 0.00 0.00 41.12 39.21 1pk0 n ASP 294 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1pk0 s VAL 295 N 2.27 2.50 0.70 5.18 0.11 -1.26 -4.41 120.40 125.48 1pk0 s VAL 295 Ca 0.45 -1.05 -0.13 0.00 -2.93 0.00 0.00 61.98 58.32 1pk0 s VAL 295 Cb 0.08 -1.95 0.02 0.00 -1.53 0.00 0.00 36.38 33.00 1pk0 s VAL 295 CO -0.01 0.51 1.11 -0.76 -3.33 0.00 0.00 175.10 172.61 1pk0 s LEU 296 N -0.88 3.27 0.05 2.54 1.43 -1.09 -4.82 118.68 119.18 1pk0 s LEU 296 Ca 0.12 1.95 0.02 0.00 -1.03 0.00 0.00 54.13 55.18 1pk0 s LEU 296 Cb -0.10 -4.54 -0.03 0.00 0.03 0.00 0.00 46.19 41.55 1pk0 s LEU 296 CO 0.01 -1.78 -0.07 -0.54 0.23 0.00 0.00 176.35 174.20 1pk0 s LYS 297 N -4.36 0.58 0.50 1.70 1.02 -1.26 -1.50 119.74 116.43 1pk0 s LYS 297 Ca 0.65 -0.91 0.00 0.00 0.02 0.00 0.00 55.97 55.73 1pk0 s LYS 297 Cb -0.20 -0.19 0.00 0.00 -0.52 0.00 0.00 37.83 36.92 1pk0 s LYS 297 CO 0.46 0.01 0.00 0.41 -0.92 0.00 0.00 175.35 175.31 1pk0 n GLY 298 N 1.02 0.45 0.00 -3.33 0.00 0.15 -3.46 105.19 100.01 1pk0 n GLY 298 Ca -0.20 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.07 1pk0 n GLY 298 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1pk0 n GLU 299 N -0.06 0.00 -0.21 1.61 4.07 -1.26 0.28 120.64 125.06 1pk0 n GLU 299 Ca 0.00 0.00 -0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1pk0 n GLU 299 Cb 0.00 0.00 0.11 0.00 -0.06 0.00 0.00 31.44 31.49 1pk0 n GLU 299 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 1pk0 h LYS 300 N 0.00 0.47 -0.09 5.31 1.57 -1.98 0.63 116.57 122.48 1pk0 h LYS 300 Ca 0.00 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 1pk0 h LYS 300 Cb 0.00 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.20 1pk0 h LYS 300 CO 0.00 0.31 -0.04 0.00 -0.57 0.00 0.00 179.45 179.15 1pk0 h ALA 301 N 1.40 0.13 -0.98 3.86 0.00 0.39 -2.88 119.26 121.18 1pk0 h ALA 301 Ca 0.31 -0.24 0.15 0.00 0.00 0.00 0.00 54.91 55.13 1pk0 h ALA 301 Cb 0.34 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.01 1pk0 h ALA 301 CO -0.27 -0.11 0.61 1.25 0.00 0.00 0.00 179.25 180.73 1pk0 h LEU 302 N -0.18 0.81 -0.77 0.00 5.85 -1.08 0.10 115.31 120.04 1pk0 h LEU 302 Ca 0.02 0.06 0.08 0.00 0.84 0.00 0.00 57.88 58.88 1pk0 h LEU 302 Cb 0.49 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.36 1pk0 h LEU 302 CO 0.01 0.38 0.44 0.50 -0.34 0.00 0.00 178.44 179.44 1pk0 h LYS 303 N 0.84 0.76 0.00 1.25 3.64 -0.68 -2.05 116.57 120.33 1pk0 h LYS 303 Ca 0.51 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.85 1pk0 h LYS 303 Cb 0.69 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1pk0 h LYS 303 CO -0.28 0.50 -0.33 0.00 -2.27 0.00 0.00 179.45 177.07 1pk0 h ALA 304 N 1.41 0.81 -0.48 5.00 0.00 -0.73 -3.34 119.26 121.94 1pk0 h ALA 304 Ca 0.36 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.17 1pk0 h ALA 304 Cb 0.27 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1pk0 h ALA 304 CO -0.21 0.00 -0.09 0.66 0.00 0.00 0.00 179.25 179.61 1pk0 h SER 305 N 0.00 0.85 0.00 0.00 4.64 -0.17 -3.45 113.55 115.42 1pk0 h SER 305 Ca 0.00 -0.25 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 1pk0 h SER 305 Cb 0.86 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 1pk0 h SER 305 CO 0.00 0.97 0.00 0.61 -0.87 0.00 0.00 176.83 177.54 1pk0 n GLY 306 N -0.42 1.69 3.78 -0.77 0.00 -1.20 -2.63 105.19 105.65 1pk0 n GLY 306 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 1pk0 n GLY 306 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pk0 s LEU 307 N 0.00 3.37 -0.09 0.99 1.02 -1.26 -4.45 118.68 118.26 1pk0 s LEU 307 Ca 0.00 1.89 -0.30 0.00 0.02 0.00 0.00 54.13 55.74 1pk0 s LEU 307 Cb 0.00 -4.54 -0.03 0.00 0.02 0.00 0.00 46.19 41.64 1pk0 s LEU 307 CO 0.00 -1.50 1.33 -0.69 0.02 0.00 0.00 176.35 175.50 1pk0 s VAL 308 N -2.49 4.07 0.11 -1.59 1.01 -1.26 -4.88 120.40 115.36 1pk0 s VAL 308 Ca 0.65 1.35 -0.21 0.00 0.00 0.00 0.00 61.98 63.77 1pk0 s VAL 308 Cb -0.18 -3.87 -0.05 0.00 0.00 0.00 0.00 36.38 32.28 1pk0 s VAL 308 CO 0.43 -0.07 1.16 -2.65 0.00 0.00 0.00 175.10 173.97 1pk0 n PRO 309 N 6.07 -0.29 -0.26 2.72 -0.02 -1.26 0.36 135.00 142.32 1pk0 n PRO 309 Ca 0.13 1.14 0.06 0.00 -2.02 0.00 0.00 63.50 62.82 1pk0 n PRO 309 Cb 0.45 -1.68 0.18 0.00 -0.02 0.00 0.00 33.50 32.42 1pk0 n PRO 309 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1pk0 h GLU 310 N 0.00 0.14 -0.78 -0.52 3.07 -1.99 0.13 114.58 114.62 1pk0 h GLU 310 Ca 0.11 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.96 1pk0 h GLU 310 Cb 0.27 -0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 28.11 1pk0 h GLU 310 CO -0.63 0.09 0.49 0.45 -1.40 0.00 0.00 179.01 178.02 1pk0 h HIS 311 N 0.14 1.01 0.16 4.33 3.86 -0.47 0.14 115.15 124.33 1pk0 h HIS 311 Ca 0.43 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.64 1pk0 h HIS 311 Cb 0.77 -0.34 0.00 0.00 1.06 0.00 0.00 27.41 28.90 1pk0 h HIS 311 CO -0.37 0.66 -0.08 0.00 0.86 0.00 0.00 177.93 179.00 1pk0 h ALA 312 N 1.27 -0.22 -0.42 2.45 0.00 0.54 -1.01 119.26 121.87 1pk0 h ALA 312 Ca 0.28 -0.15 0.09 0.00 0.00 0.00 0.00 54.91 55.13 1pk0 h ALA 312 Cb -0.08 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 17.71 1pk0 h ALA 312 CO -0.06 -0.49 -0.14 -0.44 0.00 0.00 0.00 179.25 178.12 1pk0 h ASP 313 N -0.49 -0.50 -0.64 0.00 3.45 -0.74 0.52 116.42 118.02 1pk0 h ASP 313 Ca -0.02 0.14 0.17 0.00 0.43 0.00 0.00 57.03 57.75 1pk0 h ASP 313 Cb 0.38 0.30 -0.03 0.00 -0.56 0.00 0.00 39.33 39.42 1pk0 h ASP 313 CO 0.04 -0.18 0.45 0.00 -1.57 0.00 0.00 179.24 177.98 1pk0 h ALA 314 N 1.33 2.46 -0.05 3.45 0.00 -0.51 -0.58 119.26 125.36 1pk0 h ALA 314 Ca 0.20 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.92 1pk0 h ALA 314 Cb 0.36 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1pk0 h ALA 314 CO -0.46 -0.65 -0.74 0.74 0.00 0.00 0.00 179.25 178.14 1pk0 h PHE 315 N 0.10 0.40 -0.78 0.00 0.05 0.14 -3.12 116.94 113.73 1pk0 h PHE 315 Ca 0.31 -0.19 0.18 0.00 3.82 0.00 0.00 57.97 62.09 1pk0 h PHE 315 Cb 1.09 -0.06 -0.11 0.00 2.00 0.00 0.00 35.95 38.86 1pk0 h PHE 315 CO -0.00 0.93 0.22 0.87 -0.18 0.00 0.00 178.31 180.15 1pk0 h LYS 316 N 0.20 0.29 -0.38 1.51 1.57 -0.20 0.21 116.57 119.77 1pk0 h LYS 316 Ca -0.03 -0.02 0.07 0.00 -1.87 0.00 0.00 60.65 58.81 1pk0 h LYS 316 Cb 1.31 -0.06 -0.09 0.00 0.08 0.00 0.00 32.23 33.47 1pk0 h LYS 316 CO 0.12 0.19 -0.39 -0.22 -0.57 0.00 0.00 179.45 178.58 1pk0 h LYS 317 N 0.30 -0.30 -0.29 3.15 1.63 -1.58 -0.89 116.57 118.58 1pk0 h LYS 317 Ca 0.45 0.02 -0.10 0.00 -0.85 0.00 0.00 60.65 60.17 1pk0 h LYS 317 Cb 0.79 0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.48 1pk0 h LYS 317 CO -0.52 -0.20 -0.25 0.82 -3.45 0.00 0.00 179.45 175.84 1pk0 h ILE 318 N -0.31 1.27 -0.35 2.00 5.03 -1.14 -0.32 117.51 123.69 1pk0 h ILE 318 Ca 0.15 -1.31 0.00 0.00 -0.12 0.00 0.00 64.86 63.58 1pk0 h ILE 318 Cb 0.57 1.33 -0.02 0.00 -3.03 0.00 0.00 36.82 35.67 1pk0 h ILE 318 CO -0.55 0.42 0.22 0.00 -0.68 0.00 0.00 178.15 177.56 1pk0 h ALA 319 N 1.23 0.44 0.42 1.87 0.00 -0.60 -1.75 119.26 120.89 1pk0 h ALA 319 Ca 0.07 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1pk0 h ALA 319 Cb 0.70 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1pk0 h ALA 319 CO 0.05 -0.08 -0.20 -0.09 0.00 0.00 0.00 179.25 178.93 1pk0 h ARG 320 N 0.46 -0.55 -0.79 0.00 2.43 -1.00 -0.81 114.38 114.12 1pk0 h ARG 320 Ca 0.13 0.04 0.18 0.00 -0.81 0.00 0.00 59.98 59.51 1pk0 h ARG 320 Cb -0.02 0.12 -0.14 0.00 -0.42 0.00 0.00 29.97 29.51 1pk0 h ARG 320 CO -0.03 -0.37 -0.05 1.49 -1.51 0.00 0.00 179.97 179.51 1pk0 h GLU 321 N -0.83 0.06 -0.33 0.20 4.81 -1.11 0.73 114.58 118.13 1pk0 h GLU 321 Ca -0.06 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1pk0 h GLU 321 Cb 0.44 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.80 1pk0 h GLU 321 CO 0.10 0.04 0.00 1.28 -0.73 0.00 0.00 179.01 179.70 1pk0 n LEU 322 N -5.40 2.29 -3.62 1.64 4.77 -0.66 -4.98 117.00 111.04 1pk0 n LEU 322 Ca 0.14 -1.05 -0.30 0.00 -0.03 0.00 0.00 56.01 54.77 1pk0 n LEU 322 Cb 0.48 -0.22 0.02 0.00 -2.33 0.00 0.00 43.42 41.37 1pk0 n LEU 322 CO 0.02 0.53 -0.26 -3.20 -1.33 0.00 0.00 177.39 173.15 1pk0 n ASN 323 N 0.73 -4.87 -3.66 -1.43 4.05 0.25 -4.53 115.26 105.80 1pk0 n ASN 323 Ca 0.16 -0.62 -0.09 0.00 0.45 0.00 0.00 54.58 54.47 1pk0 n ASN 323 Cb 0.40 -1.53 -0.08 0.00 1.23 0.00 0.00 39.78 39.80 1pk0 n ASN 323 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 177.26 174.49 1pk0 s THR 324 N -2.31 -0.01 0.29 -0.44 -1.32 -0.48 -1.70 115.64 109.68 1pk0 s THR 324 Ca 0.16 0.02 -0.29 0.00 -1.21 0.00 0.00 61.69 60.37 1pk0 s THR 324 Cb -0.02 -0.87 -0.10 0.00 -1.51 0.00 0.00 72.50 70.00 1pk0 s THR 324 CO 0.86 0.01 1.15 -0.31 -2.21 0.00 0.00 174.62 174.12 1pk0 s TYR 325 N 1.28 3.45 -0.13 9.09 1.51 0.25 -4.16 117.35 128.64 1pk0 s TYR 325 Ca -0.08 1.63 0.02 0.00 -1.01 0.00 0.00 57.07 57.63 1pk0 s TYR 325 Cb -0.06 -3.38 0.01 0.00 -0.11 0.00 0.00 41.96 38.42 1pk0 s TYR 325 CO -0.13 -0.87 -0.19 0.42 -1.11 0.00 0.00 175.55 173.66 1pk0 s ILE 326 N -1.13 1.85 -0.14 2.71 1.01 -0.50 -1.43 121.20 123.56 1pk0 s ILE 326 Ca 0.46 -0.84 0.02 0.00 0.00 0.00 0.00 60.65 60.28 1pk0 s ILE 326 Cb -0.34 -1.66 0.01 0.00 0.01 0.00 0.00 42.46 40.49 1pk0 s ILE 326 CO 0.44 0.51 -0.19 -0.76 0.00 0.00 0.00 174.94 174.94 1pk0 s LEU 327 N 0.97 1.98 0.02 2.97 1.02 -0.47 -0.62 118.68 124.55 1pk0 s LEU 327 Ca -0.05 -0.56 0.02 0.00 0.02 0.00 0.00 54.13 53.56 1pk0 s LEU 327 Cb -0.15 -1.35 -0.04 0.00 0.02 0.00 0.00 46.19 44.68 1pk0 s LEU 327 CO -0.04 0.03 0.00 -0.36 0.02 0.00 0.00 176.35 176.01 1pk0 s PHE 328 N 1.06 3.06 0.54 0.29 0.40 0.11 0.12 117.98 123.55 1pk0 s PHE 328 Ca -0.02 0.06 -0.09 0.00 -0.60 0.00 0.00 56.93 56.27 1pk0 s PHE 328 Cb -0.14 -1.64 -0.04 0.00 0.51 0.00 0.00 43.02 41.70 1pk0 s PHE 328 CO -0.06 0.47 0.90 1.03 0.70 0.00 0.00 175.22 178.26 1pk0 s ARG 329 N -1.75 3.61 0.76 0.44 0.52 0.14 -1.33 118.95 121.33 1pk0 s ARG 329 Ca 0.21 0.50 -0.16 0.00 -0.52 0.00 0.00 55.73 55.75 1pk0 s ARG 329 Cb -0.12 -2.24 -0.08 0.00 0.52 0.00 0.00 34.95 33.03 1pk0 s ARG 329 CO 0.12 -0.35 0.05 -2.30 0.02 0.00 0.00 175.30 172.84 1pk0 n PRO 330 N -2.37 0.10 -4.67 3.54 -0.02 -1.25 -4.62 135.00 125.72 1pk0 n PRO 330 Ca 0.03 0.06 -0.25 0.00 -2.02 0.00 0.00 63.50 61.32 1pk0 n PRO 330 Cb 0.54 -1.44 -0.16 0.00 -0.02 0.00 0.00 33.50 32.42 1pk0 n PRO 330 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1pk0 s VAL 331 N -2.00 1.22 -0.39 -1.45 1.01 -1.08 -4.77 120.40 112.94 1pk0 s VAL 331 Ca 0.57 -0.57 -0.38 0.00 0.00 0.00 0.00 61.98 61.60 1pk0 s VAL 331 Cb -0.33 -1.08 -0.14 0.00 0.00 0.00 0.00 36.38 34.83 1pk0 s VAL 331 CO 0.67 0.37 2.16 -3.20 0.00 0.00 0.00 175.10 175.10 1pk0 n ASN 332 N 3.48 1.71 -0.32 3.32 5.15 -1.26 -4.47 115.26 122.86 1pk0 n ASN 332 Ca -0.20 0.51 0.06 0.00 -0.60 0.00 0.00 54.58 54.35 1pk0 n ASN 332 Cb 0.53 -1.15 0.26 0.00 -0.53 0.00 0.00 39.78 38.89 1pk0 n ASN 332 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 1pk0 h LYS 333 N 11.20 0.95 0.00 1.20 1.57 -1.93 0.70 116.57 130.25 1pk0 h LYS 333 Ca -0.22 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 1pk0 h LYS 333 Cb 1.35 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.45 1pk0 h LYS 333 CO 1.04 0.63 0.00 1.28 -0.57 0.00 0.00 179.45 181.83 1pk0 n LEU 334 N -4.54 0.00 -0.11 2.94 7.99 -1.26 -2.47 117.00 119.56 1pk0 n LEU 334 Ca 0.16 0.00 -0.13 0.00 -0.01 0.00 0.00 56.01 56.03 1pk0 n LEU 334 Cb 0.28 0.00 -0.15 0.00 -0.11 0.00 0.00 43.42 43.45 1pk0 n LEU 334 CO 0.31 0.00 -1.21 0.00 -1.51 0.00 0.00 177.39 174.98 1pk0 n ALA 335 N -0.82 1.47 -0.05 -1.18 0.00 0.24 -3.93 120.51 116.24 1pk0 n ALA 335 Ca 0.11 -1.24 -0.01 0.00 0.00 0.00 0.00 53.44 52.29 1pk0 n ALA 335 Cb 0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 19.45 19.31 1pk0 n ALA 335 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1pk0 n THR 336 N -2.94 -0.08 -0.29 0.00 -1.04 -0.97 -0.78 114.28 108.17 1pk0 n THR 336 Ca -0.37 1.32 0.08 0.00 -2.04 0.00 0.00 64.05 63.04 1pk0 n THR 336 Cb 1.10 -1.74 0.24 0.00 -1.82 0.00 0.00 70.33 68.11 1pk0 n THR 336 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 1pk0 h ASN 337 N 0.00 0.45 -0.37 8.00 2.35 -1.83 0.12 115.58 124.31 1pk0 h ASN 337 Ca 0.02 0.11 0.02 0.00 -0.55 0.00 0.00 56.30 55.90 1pk0 h ASN 337 Cb 0.05 0.05 -0.03 0.00 0.05 0.00 0.00 38.32 38.44 1pk0 h ASN 337 CO -0.11 0.16 0.20 -0.07 -1.65 0.00 0.00 177.43 175.95 1pk0 h LEU 338 N 0.55 0.31 0.38 1.61 3.38 -1.22 -0.06 115.31 120.25 1pk0 h LEU 338 Ca 0.47 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.45 1pk0 h LEU 338 Cb 0.73 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 1pk0 h LEU 338 CO -0.40 0.22 -0.47 0.40 0.09 0.00 0.00 178.44 178.28 1pk0 h ILE 339 N 0.41 0.07 -0.93 1.22 2.04 0.13 -1.85 117.51 118.60 1pk0 h ILE 339 Ca 0.15 0.00 0.24 0.00 1.00 0.00 0.00 64.86 66.25 1pk0 h ILE 339 Cb 0.04 0.07 -0.13 0.00 -0.74 0.00 0.00 36.82 36.06 1pk0 h ILE 339 CO -0.09 0.00 0.44 0.50 0.00 0.00 0.00 178.15 179.00 1pk0 h LYS 340 N -0.89 0.41 -0.47 2.37 3.64 -0.56 0.69 116.57 121.75 1pk0 h LYS 340 Ca -0.04 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1pk0 h LYS 340 Cb 0.81 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 1pk0 h LYS 340 CO -0.12 0.27 0.00 -1.13 -2.27 0.00 0.00 179.45 176.20 1pk0 n SER 341 N -5.02 0.47 -0.18 4.20 3.41 -0.08 -4.80 113.62 111.63 1pk0 n SER 341 Ca 0.24 -1.25 -0.02 0.00 -0.26 0.00 0.00 58.87 57.58 1pk0 n SER 341 Cb 0.70 -0.24 -0.01 0.00 -0.26 0.00 0.00 64.21 64.41 1pk0 n SER 341 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pk0 n GLY 342 N 0.17 0.57 3.78 5.00 0.00 0.24 -4.99 105.19 109.96 1pk0 n GLY 342 Ca 0.00 -0.93 -0.37 0.00 0.00 0.00 0.00 46.02 44.72 1pk0 n GLY 342 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pk0 s VAL 343 N -2.08 3.64 0.48 1.61 1.01 -0.96 -3.25 120.40 120.84 1pk0 s VAL 343 Ca 0.00 1.31 -0.21 0.00 0.00 0.00 0.00 61.98 63.08 1pk0 s VAL 343 Cb 0.00 -3.70 -0.08 0.00 0.00 0.00 0.00 36.38 32.60 1pk0 s VAL 343 CO 0.00 0.06 1.10 0.00 0.00 0.00 0.00 175.10 176.26 1pk0 s ALA 344 N -1.57 2.89 0.17 5.51 0.00 -1.25 -4.68 121.76 122.83 1pk0 s ALA 344 Ca 0.56 0.77 0.04 0.00 0.00 0.00 0.00 51.96 53.33 1pk0 s ALA 344 Cb -0.24 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.52 1pk0 s ALA 344 CO 0.30 -0.52 0.22 0.95 0.00 0.00 0.00 175.76 176.72 1pk0 s THR 345 N -1.75 4.90 -0.01 0.00 -4.23 -1.26 -0.74 115.64 112.54 1pk0 s THR 345 Ca 0.66 -0.95 -0.30 0.00 -1.18 0.00 0.00 61.69 59.93 1pk0 s THR 345 Cb -0.23 -3.54 -0.03 0.00 1.34 0.00 0.00 72.50 70.04 1pk0 s THR 345 CO 0.27 -0.15 1.08 -1.59 -0.54 0.00 0.00 174.62 173.69 1pk0 s LYS 346 N -3.32 4.47 0.33 3.99 -2.85 -0.59 -4.79 119.74 116.97 1pk0 s LYS 346 Ca 0.33 1.54 0.01 0.00 -1.00 0.00 0.00 55.97 56.86 1pk0 s LYS 346 Cb -0.10 -3.46 0.06 0.00 -2.06 0.00 0.00 37.83 32.27 1pk0 s LYS 346 CO 0.26 -0.22 0.45 0.41 0.10 0.00 0.00 175.35 176.35 1pk0 n GLY 347 N 3.09 1.10 0.00 0.59 0.00 -1.26 -4.68 105.19 104.02 1pk0 n GLY 347 Ca 0.08 -2.05 0.01 0.00 0.00 0.00 0.00 46.02 44.06 1pk0 n GLY 347 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pk0 n LEU 348 N 0.00 0.00 -0.49 0.99 4.77 -1.26 -0.81 117.00 120.20 1pk0 n LEU 348 Ca 0.08 0.41 0.11 0.00 -0.03 0.00 0.00 56.01 56.57 1pk0 n LEU 348 Cb 0.28 -0.41 0.41 0.00 -2.33 0.00 0.00 43.42 41.38 1pk0 n LEU 348 CO 0.19 -0.38 0.79 -0.46 -1.33 0.00 0.00 177.39 176.21 1pk0 n ASN 349 N -1.41 1.46 -3.70 -1.43 0.23 -1.26 -4.61 115.26 104.54 1pk0 n ASN 349 Ca 0.01 -1.65 -0.27 0.00 -0.53 0.00 0.00 54.58 52.13 1pk0 n ASN 349 Cb 0.02 -0.08 -0.17 0.00 -2.08 0.00 0.00 39.78 37.47 1pk0 n ASN 349 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1pk0 s VAL 350 N -1.83 0.36 -1.02 3.53 1.01 0.01 -4.66 120.40 117.80 1pk0 s VAL 350 Ca 0.33 -0.49 0.13 0.00 0.00 0.00 0.00 61.98 61.94 1pk0 s VAL 350 Cb 0.17 -0.93 0.37 0.00 0.00 0.00 0.00 36.38 35.99 1pk0 s VAL 350 CO 0.27 -0.25 1.31 1.41 0.00 0.00 0.00 175.10 177.83 1pk0 n HIS 351 N 5.11 0.57 -2.28 5.22 8.25 -1.26 -4.59 115.22 126.24 1pk0 n HIS 351 Ca -0.08 -0.52 -0.36 0.00 -0.26 0.00 0.00 57.72 56.50 1pk0 n HIS 351 Cb 0.47 -0.04 -0.01 0.00 1.12 0.00 0.00 29.99 31.53 1pk0 n HIS 351 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1pk0 s GLY 352 N -1.05 2.70 0.14 -1.41 0.00 -1.26 -4.97 107.32 101.47 1pk0 s GLY 352 Ca 0.28 0.86 -0.17 0.00 0.00 0.00 0.00 44.72 45.69 1pk0 s GLY 352 CO 0.18 1.27 0.59 0.54 0.00 0.00 0.00 173.10 175.68 1pk0 s LYS 353 N -2.99 4.11 1.11 2.90 -0.14 -1.26 -5.04 119.74 118.43 1pk0 s LYS 353 Ca 0.68 0.65 -0.13 0.00 -1.36 0.00 0.00 55.97 55.80 1pk0 s LYS 353 Cb -0.26 -3.02 0.25 0.00 -1.68 0.00 0.00 37.83 33.12 1pk0 s LYS 353 CO 0.30 0.51 1.06 -1.54 -0.76 0.00 0.00 175.35 174.92 1pk0 s SER 354 N -1.51 1.61 0.07 2.83 1.04 -1.26 -4.53 113.70 111.95 1pk0 s SER 354 Ca 0.36 1.24 0.04 0.00 0.48 0.00 0.00 55.95 58.07 1pk0 s SER 354 Cb -0.17 -1.93 -0.04 0.00 0.10 0.00 0.00 66.02 63.98 1pk0 s SER 354 CO 0.19 -3.77 -0.03 -0.55 0.98 0.00 0.00 173.24 170.07 1pk0 s SER 355 N -3.09 4.87 -0.12 7.02 0.15 -0.48 -1.47 113.70 120.59 1pk0 s SER 355 Ca 0.67 -0.18 0.16 0.00 0.70 0.00 0.00 55.95 57.30 1pk0 s SER 355 Cb -0.21 -1.14 0.37 0.00 -1.71 0.00 0.00 66.02 63.33 1pk0 s SER 355 CO 0.61 0.21 1.18 -0.90 1.20 0.00 0.00 173.24 175.53 1pk0 n ASP 356 N 0.87 1.43 -3.65 5.45 3.85 -1.26 0.19 116.55 123.43 1pk0 n ASP 356 Ca -0.12 -3.04 -0.09 0.00 -0.71 0.00 0.00 54.79 50.82 1pk0 n ASP 356 Cb 0.52 -0.42 -0.02 0.00 -1.35 0.00 0.00 41.12 39.86 1pk0 n ASP 356 CO 0.00 0.00 0.00 -1.66 -1.01 0.00 0.00 177.20 174.53 1pk0 s TRP 357 N -1.91 -0.35 0.36 2.11 1.48 -1.26 -4.96 118.94 114.41 1pk0 s TRP 357 Ca 0.33 0.02 0.00 0.00 -1.06 0.00 0.00 56.10 55.38 1pk0 s TRP 357 Cb 0.33 0.64 0.00 0.00 -1.16 0.00 0.00 33.47 33.28 1pk0 s TRP 357 CO -0.08 -1.03 0.00 0.41 -4.06 0.00 0.00 176.95 172.19 1pk0 n GLY 358 N -0.42 -2.40 0.41 3.67 0.00 -1.26 -2.83 105.19 102.36 1pk0 n GLY 358 Ca -0.10 -1.20 0.23 0.00 0.00 0.00 0.00 46.02 44.95 1pk0 n GLY 358 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pk0 h PRO 359 N -1.04 0.36 -0.03 1.61 0.13 -1.92 0.27 132.00 131.38 1pk0 h PRO 359 Ca -0.06 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 1pk0 h PRO 359 Cb 1.02 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.07 1pk0 h PRO 359 CO 0.03 0.24 0.00 1.55 -0.23 0.00 0.00 178.00 179.59 1pk0 n VAL 360 N -4.61 0.04 -1.71 1.56 3.14 -1.26 -4.89 118.33 110.59 1pk0 n VAL 360 Ca 0.25 -0.04 -0.43 0.00 -2.96 0.00 0.00 64.34 61.17 1pk0 n VAL 360 Cb 0.90 -0.00 -0.01 0.00 -1.06 0.00 0.00 33.84 33.66 1pk0 n VAL 360 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1pk0 n ALA 361 N -0.44 1.69 0.00 1.55 0.00 0.95 -1.80 120.51 122.46 1pk0 n ALA 361 Ca 0.02 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1pk0 n ALA 361 Cb 0.03 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.15 1pk0 n ALA 361 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pk0 n GLY 362 N 1.58 3.01 0.00 0.00 0.00 0.13 -4.92 105.19 104.99 1pk0 n GLY 362 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1pk0 n GLY 362 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1pk0 n TYR 363 N -0.61 -3.00 -3.91 1.61 4.02 -0.74 -4.02 117.16 110.51 1pk0 n TYR 363 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.57 1pk0 n TYR 363 Cb 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 39.34 39.19 1pk0 n TYR 363 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1pk0 s ILE 364 N 0.65 2.77 0.31 -0.72 -1.09 -1.25 -1.38 121.20 120.50 1pk0 s ILE 364 Ca 0.00 -3.06 -0.29 0.00 -2.23 0.00 0.00 60.65 55.07 1pk0 s ILE 364 Cb 0.00 -2.91 -0.10 0.00 -1.58 0.00 0.00 42.46 37.87 1pk0 s ILE 364 CO 0.00 -0.78 1.34 -2.16 -1.23 0.00 0.00 174.94 172.11 1pk0 s PRO 365 N -0.02 4.33 0.25 2.79 0.04 -1.26 -0.02 135.00 141.11 1pk0 s PRO 365 Ca 0.16 2.24 -0.02 0.00 0.04 0.00 0.00 61.00 63.42 1pk0 s PRO 365 Cb -0.24 -3.08 0.32 0.00 0.04 0.00 0.00 34.50 31.54 1pk0 s PRO 365 CO -0.02 -0.25 1.72 0.35 0.04 0.00 0.00 177.00 178.85 1pk0 h PHE 366 N 3.72 0.80 -2.04 0.56 3.57 -1.65 -3.29 116.94 118.61 1pk0 h PHE 366 Ca -0.48 -0.14 -0.69 0.00 3.53 0.00 0.00 57.97 60.19 1pk0 h PHE 366 Cb 1.22 -0.21 -0.16 0.00 2.79 0.00 0.00 35.95 39.60 1pk0 h PHE 366 CO 0.57 0.80 1.19 0.34 -2.23 0.00 0.00 178.31 178.97 1pk0 s ASP 367 N -6.70 6.76 0.00 0.41 3.68 -1.26 -4.78 116.67 114.78 1pk0 s ASP 367 Ca -0.09 -2.28 0.00 0.00 2.13 0.00 0.00 52.55 52.31 1pk0 s ASP 367 Cb 0.14 -2.44 0.00 0.00 -1.45 0.00 0.00 42.92 39.17 1pk0 s ASP 367 CO 0.81 -1.04 0.54 0.00 0.13 0.00 0.00 175.17 175.62 1pk0 n GLN 368 N 6.75 0.00 0.00 4.34 1.13 -1.24 0.25 117.38 128.60 1pk0 n GLN 368 Ca 0.31 0.15 0.15 0.00 -1.94 0.00 0.00 57.00 55.66 1pk0 n GLN 368 Cb 0.47 -1.61 0.73 0.00 0.11 0.00 0.00 30.24 29.94 1pk0 n GLN 368 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1pk0 n ASP 369 N -1.04 0.27 -0.93 1.08 2.03 -1.26 -2.00 116.55 114.71 1pk0 n ASP 369 Ca 0.00 -0.58 0.12 0.00 0.52 0.00 0.00 54.79 54.85 1pk0 n ASP 369 Cb 0.11 -0.12 0.10 0.00 -0.72 0.00 0.00 41.12 40.48 1pk0 n ASP 369 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1pk0 n LEU 370 N -1.01 2.94 0.00 -2.67 4.77 0.14 -4.36 117.00 116.80 1pk0 n LEU 370 Ca 0.17 -1.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.10 1pk0 n LEU 370 Cb 0.23 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.35 1pk0 n LEU 370 CO 0.22 0.49 0.12 -1.54 -1.33 0.00 0.00 177.39 175.36 1pk0 n SER 371 N 1.30 0.24 0.24 -1.43 3.41 -0.84 -4.69 113.62 111.84 1pk0 n SER 371 Ca 0.14 -1.21 0.08 0.00 -0.26 0.00 0.00 58.87 57.62 1pk0 n SER 371 Cb 0.58 -0.14 0.59 0.00 -0.26 0.00 0.00 64.21 64.98 1pk0 n SER 371 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 1pk0 h LYS 372 N 0.00 0.00 0.00 4.33 2.10 -1.52 -1.20 116.57 120.29 1pk0 h LYS 372 Ca -0.07 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.58 1pk0 h LYS 372 Cb 0.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.58 1pk0 h LYS 372 CO 0.07 0.17 0.00 1.63 -2.00 0.00 0.00 179.45 179.32 1pk0 n LYS 373 N -3.98 0.73 -1.48 0.07 4.01 -1.26 -4.89 118.16 111.35 1pk0 n LYS 373 Ca -0.02 0.00 -0.50 0.00 -0.51 0.00 0.00 58.31 57.28 1pk0 n LYS 373 Cb 0.26 -1.07 -0.04 0.00 -0.51 0.00 0.00 35.03 33.67 1pk0 n LYS 373 CO 0.00 0.00 0.00 1.58 -1.11 0.00 0.00 177.40 177.87 1pk0 n HIS 374 N -0.57 0.34 -0.98 2.13 -0.00 -0.45 -1.57 115.22 114.12 1pk0 n HIS 374 Ca 0.02 0.90 0.00 0.00 -0.00 0.00 0.00 57.72 58.64 1pk0 n HIS 374 Cb 0.01 -2.09 0.00 0.00 -0.00 0.00 0.00 29.99 27.91 1pk0 n HIS 374 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1pk0 n GLY 375 N 1.80 0.43 2.94 1.57 0.00 -1.26 -4.97 105.19 105.70 1pk0 n GLY 375 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 1pk0 n GLY 375 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1pk0 n GLN 376 N -2.05 2.28 -0.08 1.61 6.02 -0.61 -4.99 117.38 119.57 1pk0 n GLN 376 Ca 0.00 -4.51 -0.02 0.00 -0.01 0.00 0.00 57.00 52.46 1pk0 n GLN 376 Cb 0.10 -2.34 -0.02 0.00 1.02 0.00 0.00 30.24 29.00 1pk0 n GLN 376 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 1pk0 n GLN 377 N 1.96 -0.08 -0.21 -1.09 7.27 -1.26 0.38 117.38 124.36 1pk0 n GLN 377 Ca 0.22 0.33 -0.05 0.00 0.07 0.00 0.00 57.00 57.56 1pk0 n GLN 377 Cb 0.36 -0.49 0.05 0.00 2.41 0.00 0.00 30.24 32.57 1pk0 n GLN 377 CO 0.00 0.00 0.00 1.25 0.07 0.00 0.00 177.06 178.38 1pk0 h LEU 378 N 0.00 0.65 -0.37 1.69 5.85 -1.97 0.73 115.31 121.88 1pk0 h LEU 378 Ca 0.03 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.70 1pk0 h LEU 378 Cb 0.07 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 1pk0 h LEU 378 CO -0.17 0.46 0.07 0.00 -0.34 0.00 0.00 178.44 178.46 1pk0 h ALA 379 N 1.24 0.50 0.26 1.25 0.00 -0.43 0.23 119.26 122.31 1pk0 h ALA 379 Ca 0.23 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1pk0 h ALA 379 Cb -0.04 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1pk0 h ALA 379 CO -0.07 0.20 -0.24 0.28 0.00 0.00 0.00 179.25 179.41 1pk0 h VAL 380 N 0.46 0.48 -0.40 0.00 2.07 -0.60 0.53 116.25 118.79 1pk0 h VAL 380 Ca 0.11 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.69 1pk0 h VAL 380 Cb 0.35 0.48 -0.05 0.00 -1.52 0.00 0.00 31.29 30.56 1pk0 h VAL 380 CO 0.01 0.00 0.12 -0.33 0.02 0.00 0.00 177.57 177.39 1pk0 h GLU 381 N -0.53 0.27 -0.46 1.57 5.08 -0.69 0.28 114.58 120.10 1pk0 h GLU 381 Ca -0.01 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 1pk0 h GLU 381 Cb 0.48 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 1pk0 h GLU 381 CO -0.04 0.18 0.05 -0.22 -1.00 0.00 0.00 179.01 177.97 1pk0 h LYS 382 N 0.27 0.72 -0.07 2.33 1.63 -0.31 -2.00 116.57 119.14 1pk0 h LYS 382 Ca 0.19 -0.16 -0.00 0.00 -0.85 0.00 0.00 60.65 59.82 1pk0 h LYS 382 Cb 0.19 -0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 31.72 1pk0 h LYS 382 CO -0.21 0.70 0.04 0.78 -3.45 0.00 0.00 179.45 177.31 1pk0 h GLY 383 N 0.93 0.11 0.90 5.01 0.00 0.18 -2.42 103.07 107.78 1pk0 h GLY 383 Ca 0.14 -0.05 -0.00 0.00 0.00 0.00 0.00 47.33 47.42 1pk0 h GLY 383 CO 0.01 0.05 -0.04 3.43 0.00 0.00 0.00 176.54 179.99 1pk0 h ASN 384 N 0.00 -0.09 -0.82 0.19 2.35 -0.31 -2.08 115.58 114.82 1pk0 h ASN 384 Ca 0.03 -0.09 0.20 0.00 -0.55 0.00 0.00 56.30 55.88 1pk0 h ASN 384 Cb 0.11 0.02 -0.12 0.00 0.05 0.00 0.00 38.32 38.38 1pk0 h ASN 384 CO -0.00 0.03 0.24 0.25 -1.65 0.00 0.00 177.43 176.30 1pk0 h LEU 385 N -0.20 0.07 -0.78 1.61 7.12 -1.34 0.62 115.31 122.40 1pk0 h LEU 385 Ca -0.01 0.17 0.05 0.00 0.13 0.00 0.00 57.88 58.21 1pk0 h LEU 385 Cb 0.17 0.21 -0.05 0.00 -0.53 0.00 0.00 40.66 40.46 1pk0 h LEU 385 CO 0.02 -0.07 0.48 -0.33 -0.13 0.00 0.00 178.44 178.41 1pk0 h GLU 386 N 0.28 0.89 -0.14 1.25 4.39 -0.90 0.90 114.58 121.24 1pk0 h GLU 386 Ca 0.49 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 60.12 1pk0 h GLU 386 Cb 0.92 -0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 29.36 1pk0 h GLU 386 CO -0.57 0.59 -0.00 -0.91 -1.16 0.00 0.00 179.01 176.96 1pk0 h ASN 387 N 0.91 0.25 -0.87 1.42 2.35 0.69 0.43 115.58 120.77 1pk0 h ASN 387 Ca 0.33 -0.31 0.11 0.00 -0.55 0.00 0.00 56.30 55.88 1pk0 h ASN 387 Cb 0.10 -0.07 -0.08 0.00 0.05 0.00 0.00 38.32 38.32 1pk0 h ASN 387 CO -0.15 0.50 0.50 0.11 -1.65 0.00 0.00 177.43 176.74 1pk0 h LYS 388 N -0.02 0.76 -0.21 0.81 1.57 -0.03 0.16 116.57 119.61 1pk0 h LYS 388 Ca 0.04 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1pk0 h LYS 388 Cb 0.38 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1pk0 h LYS 388 CO 0.01 0.51 0.06 0.87 -0.57 0.00 0.00 179.45 180.32 1pk0 h LYS 389 N 0.79 0.33 -0.94 3.15 1.57 -0.58 -1.27 116.57 119.62 1pk0 h LYS 389 Ca 0.43 -0.07 0.11 0.00 -1.87 0.00 0.00 60.65 59.25 1pk0 h LYS 389 Cb 0.47 -0.05 -0.08 0.00 0.08 0.00 0.00 32.23 32.65 1pk0 h LYS 389 CO -0.28 0.44 0.57 0.77 -0.57 0.00 0.00 179.45 180.38 1pk0 h SER 390 N 0.16 0.83 -0.31 0.86 0.02 0.14 0.20 113.55 115.45 1pk0 h SER 390 Ca 0.07 0.05 -0.12 0.00 -0.84 0.00 0.00 61.79 60.94 1pk0 h SER 390 Cb 0.25 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 1pk0 h SER 390 CO -0.00 0.45 -0.24 0.40 -1.14 0.00 0.00 176.83 176.30 1pk0 h ILE 391 N 0.92 1.27 0.00 3.27 1.08 -0.48 -3.21 117.51 120.36 1pk0 h ILE 391 Ca 0.46 -1.37 -0.21 0.00 -0.39 0.00 0.00 64.86 63.35 1pk0 h ILE 391 Cb 0.45 1.23 -0.03 0.00 -3.07 0.00 0.00 36.82 35.39 1pk0 h ILE 391 CO -0.26 0.46 -1.39 0.35 -0.69 0.00 0.00 178.15 176.62 1pk0 n THR 392 N -4.10 1.50 0.79 -0.27 -2.24 -0.51 -3.52 114.28 105.93 1pk0 n THR 392 Ca -0.00 -0.04 0.06 0.00 -2.27 0.00 0.00 64.05 61.79 1pk0 n THR 392 Cb 0.45 -2.12 0.34 0.00 -2.10 0.00 0.00 70.33 66.90 1pk0 n THR 392 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1pk0 n GLU 393 N -4.43 0.40 -1.38 -0.78 1.02 0.61 -2.57 120.64 113.50 1pk0 n GLU 393 Ca -0.30 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 56.87 1pk0 n GLU 393 Cb 0.62 -1.45 0.01 0.00 -0.02 0.00 0.00 31.44 30.61 1pk0 n GLU 393 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1pk0 n HIS 394 N -0.95 0.00 -1.10 -0.32 8.25 -1.21 -5.04 115.22 114.85 1pk0 n HIS 394 Ca 0.08 -0.45 -0.36 0.00 -0.26 0.00 0.00 57.72 56.73 1pk0 n HIS 394 Cb 0.04 -0.10 -0.01 0.00 1.12 0.00 0.00 29.99 31.04 1pk0 n HIS 394 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1pk0 n GLU 395 N 0.43 0.00 0.00 -0.41 2.13 -1.06 -0.16 120.64 121.57 1pk0 n GLU 395 Ca 0.04 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.86 1pk0 n GLU 395 Cb 1.08 -0.83 0.00 0.00 0.27 0.00 0.00 31.44 31.96 1pk0 n GLU 395 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1pk0 n GLY 396 N 1.85 0.95 0.09 8.31 0.00 -1.26 -4.57 105.19 110.56 1pk0 n GLY 396 Ca 0.11 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.97 1pk0 n GLY 396 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1pk0 h GLU 397 N 0.47 0.00 -6.49 1.61 4.57 -0.93 -3.40 114.58 110.41 1pk0 h GLU 397 Ca 0.00 0.00 -0.62 0.00 -1.18 0.00 0.00 59.36 57.56 1pk0 h GLU 397 Cb 0.00 0.00 -0.21 0.00 -0.16 0.00 0.00 28.75 28.38 1pk0 h GLU 397 CO 0.00 0.67 -0.84 0.42 -1.18 0.00 0.00 179.01 178.08 1pk0 s ILE 398 N -2.31 1.99 0.04 2.32 -1.09 -0.97 -0.76 121.20 120.42 1pk0 s ILE 398 Ca -0.24 -1.69 -0.01 0.00 -2.23 0.00 0.00 60.65 56.47 1pk0 s ILE 398 Cb 0.05 -1.80 0.01 0.00 -1.58 0.00 0.00 42.46 39.13 1pk0 s ILE 398 CO 0.47 -0.02 0.08 0.61 -1.23 0.00 0.00 174.94 174.85 1pk0 n GLY 399 N 0.90 2.01 3.18 6.18 0.00 0.11 -4.62 105.19 112.95 1pk0 n GLY 399 Ca -0.18 -1.08 -0.17 0.00 0.00 0.00 0.00 46.02 44.59 1pk0 n GLY 399 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pk0 s LYS 400 N -2.02 0.84 0.08 1.61 -2.85 -1.26 0.70 119.74 116.85 1pk0 s LYS 400 Ca 0.02 -1.04 -0.09 0.00 -1.00 0.00 0.00 55.97 53.87 1pk0 s LYS 400 Cb -0.00 -0.74 -0.00 0.00 -2.06 0.00 0.00 37.83 35.02 1pk0 s LYS 400 CO 0.01 0.15 0.19 0.96 0.10 0.00 0.00 175.35 176.76 1pk0 s ILE 401 N -1.69 0.14 0.40 3.79 -4.36 -0.16 -4.87 121.20 114.45 1pk0 s ILE 401 Ca 0.01 -1.16 -0.26 0.00 -0.26 0.00 0.00 60.65 58.98 1pk0 s ILE 401 Cb -0.08 -1.31 -0.09 0.00 1.25 0.00 0.00 42.46 42.24 1pk0 s ILE 401 CO 0.02 -0.64 1.30 -2.84 0.24 0.00 0.00 174.94 173.01 1pk0 s PRO 402 N -3.78 4.00 -0.08 0.37 0.02 -1.26 0.37 135.00 134.64 1pk0 s PRO 402 Ca 0.04 2.14 -0.28 0.00 0.02 0.00 0.00 61.00 62.92 1pk0 s PRO 402 Cb 0.04 -2.78 -0.02 0.00 0.02 0.00 0.00 34.50 31.77 1pk0 s PRO 402 CO -0.11 -0.46 0.94 -1.17 -0.33 0.00 0.00 177.00 175.88 1pk0 s LEU 403 N -2.38 4.28 -0.14 -5.54 2.96 -0.02 -4.81 118.68 113.03 1pk0 s LEU 403 Ca 0.56 1.49 0.02 0.00 -0.22 0.00 0.00 54.13 55.98 1pk0 s LEU 403 Cb -0.38 -3.47 0.00 0.00 0.50 0.00 0.00 46.19 42.85 1pk0 s LEU 403 CO 0.49 -0.35 -0.19 -0.54 -1.32 0.00 0.00 176.35 174.44 1pk0 s LYS 404 N 1.60 3.12 -0.43 1.98 1.02 -1.26 -1.74 119.74 124.02 1pk0 s LYS 404 Ca 0.47 -0.81 -0.16 0.00 0.02 0.00 0.00 55.97 55.49 1pk0 s LYS 404 Cb -0.19 -2.50 0.03 0.00 -0.52 0.00 0.00 37.83 34.65 1pk0 s LYS 404 CO 0.20 0.03 0.38 -0.51 -0.92 0.00 0.00 175.35 174.54 1pk0 s LEU 405 N 0.74 5.14 0.64 3.17 1.43 -0.96 -5.02 118.68 123.82 1pk0 s LEU 405 Ca -0.08 -0.92 -0.18 0.00 -1.03 0.00 0.00 54.13 51.92 1pk0 s LEU 405 Cb -0.16 -2.25 -0.01 0.00 0.03 0.00 0.00 46.19 43.80 1pk0 s LEU 405 CO 0.00 -0.56 1.25 -0.62 0.23 0.00 0.00 176.35 176.65 1pk0 s ASP 406 N 1.98 4.75 0.31 2.29 3.68 -1.26 -4.77 116.67 123.65 1pk0 s ASP 406 Ca 0.08 2.49 0.08 0.00 2.13 0.00 0.00 52.55 57.32 1pk0 s ASP 406 Cb -0.20 -2.61 0.89 0.00 -1.45 0.00 0.00 42.92 39.56 1pk0 s ASP 406 CO 0.10 -1.90 1.67 0.45 0.13 0.00 0.00 175.17 175.63 1pk0 h HIS 407 N 0.52 0.71 -0.19 -5.34 3.86 -1.99 -0.39 115.15 112.32 1pk0 h HIS 407 Ca -0.50 0.04 -0.19 0.00 -1.16 0.00 0.00 60.37 58.56 1pk0 h HIS 407 Cb 1.31 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 29.63 1pk0 h HIS 407 CO 0.44 -0.14 -0.65 -0.07 0.86 0.00 0.00 177.93 178.37 1pk0 h LEU 408 N 0.32 0.80 -0.72 2.43 3.38 -2.00 -3.24 115.31 116.28 1pk0 h LEU 408 Ca 0.64 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1pk0 h LEU 408 Cb 1.35 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.83 1pk0 h LEU 408 CO -0.60 1.24 0.45 -0.09 0.09 0.00 0.00 178.44 179.54 1pk0 h ARG 409 N 0.51 0.96 -0.47 1.13 9.65 -1.42 -0.20 114.38 124.54 1pk0 h ARG 409 Ca -0.01 -0.07 0.06 0.00 -1.10 0.00 0.00 59.98 58.86 1pk0 h ARG 409 Cb 1.24 -0.21 -0.06 0.00 -1.39 0.00 0.00 29.97 29.56 1pk0 h ARG 409 CO 0.13 0.66 0.15 0.82 2.80 0.00 0.00 179.97 184.53 1pk0 h ILE 410 N 0.97 0.83 -0.04 1.20 1.08 -1.50 0.84 117.51 120.88 1pk0 h ILE 410 Ca 0.26 -0.11 0.03 0.00 -0.39 0.00 0.00 64.86 64.65 1pk0 h ILE 410 Cb -0.07 0.48 -0.03 0.00 -3.07 0.00 0.00 36.82 34.13 1pk0 h ILE 410 CO -0.05 0.06 -0.11 -0.08 -0.69 0.00 0.00 178.15 177.27 1pk0 h GLU 411 N 0.32 -0.16 -0.58 2.37 4.57 -1.38 0.15 114.58 119.88 1pk0 h GLU 411 Ca 0.22 0.01 0.11 0.00 -1.18 0.00 0.00 59.36 58.53 1pk0 h GLU 411 Cb 0.24 0.04 -0.09 0.00 -0.16 0.00 0.00 28.75 28.78 1pk0 h GLU 411 CO -0.24 -0.11 0.07 0.93 -1.18 0.00 0.00 179.01 178.48 1pk0 h GLU 412 N -0.17 0.19 -0.73 1.92 5.08 -0.14 -0.71 114.58 120.03 1pk0 h GLU 412 Ca 0.06 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 1pk0 h GLU 412 Cb 0.25 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 1pk0 h GLU 412 CO -0.15 0.12 0.31 -0.07 -1.00 0.00 0.00 179.01 178.23 1pk0 h LEU 413 N 0.19 0.98 -0.32 1.33 3.38 -0.14 -2.09 115.31 118.65 1pk0 h LEU 413 Ca 0.30 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1pk0 h LEU 413 Cb 0.46 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1pk0 h LEU 413 CO -0.43 0.86 0.20 0.50 0.09 0.00 0.00 178.44 179.66 1pk0 h LYS 414 N 1.05 0.43 0.53 1.13 3.64 0.75 -1.07 116.57 123.02 1pk0 h LYS 414 Ca 0.25 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.57 1pk0 h LYS 414 Cb 0.18 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1pk0 h LYS 414 CO -0.02 0.31 -0.33 0.93 -2.27 0.00 0.00 179.45 178.07 1pk0 h GLU 415 N 0.42 -0.77 0.00 1.90 4.39 -1.02 -1.02 114.58 118.48 1pk0 h GLU 415 Ca 0.11 0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.87 1pk0 h GLU 415 Cb -0.01 0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 1pk0 h GLU 415 CO -0.02 -0.52 0.29 0.09 -1.16 0.00 0.00 179.01 177.69 1pk0 n ASN 416 N -4.42 0.06 -3.04 1.42 5.03 -0.82 -4.76 115.26 108.73 1pk0 n ASN 416 Ca -0.10 0.30 -0.14 0.00 0.87 0.00 0.00 54.58 55.51 1pk0 n ASN 416 Cb 0.34 -0.28 0.07 0.00 -1.02 0.00 0.00 39.78 38.89 1pk0 n ASN 416 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1pk0 n GLY 417 N -1.25 -0.47 0.21 7.41 0.00 -0.39 -4.96 105.19 105.75 1pk0 n GLY 417 Ca -0.00 0.18 -0.14 0.00 0.00 0.00 0.00 46.02 46.06 1pk0 n GLY 417 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1pk0 n ILE 418 N -3.42 0.93 -4.00 -0.61 2.08 -0.49 -5.04 119.36 108.81 1pk0 n ILE 418 Ca -0.18 -0.32 -0.09 0.00 0.56 0.00 0.00 62.75 62.72 1pk0 n ILE 418 Cb 0.63 -1.29 -0.08 0.00 -0.75 0.00 0.00 39.64 38.15 1pk0 n ILE 418 CO 0.00 0.00 0.00 0.27 0.56 0.00 0.00 176.55 177.38 1pk0 s ILE 419 N -2.32 0.09 -0.04 1.39 -4.36 -1.25 -4.36 121.20 110.36 1pk0 s ILE 419 Ca -0.23 -1.51 0.01 0.00 -0.26 0.00 0.00 60.65 58.66 1pk0 s ILE 419 Cb 0.07 -1.81 0.02 0.00 1.25 0.00 0.00 42.46 41.99 1pk0 s ILE 419 CO 0.35 -0.42 -0.03 -0.76 0.24 0.00 0.00 174.94 174.32 1pk0 s LEU 420 N -2.97 1.32 -0.22 0.37 1.43 -0.99 -3.98 118.68 113.64 1pk0 s LEU 420 Ca 0.17 -0.10 -0.29 0.00 -1.03 0.00 0.00 54.13 52.88 1pk0 s LEU 420 Cb 0.05 -0.38 -0.02 0.00 0.03 0.00 0.00 46.19 45.87 1pk0 s LEU 420 CO -0.01 -0.06 1.44 -0.75 0.23 0.00 0.00 176.35 177.19 1pk0 s LYS 421 N 0.88 3.96 0.00 1.70 2.20 -1.26 -0.99 119.74 126.24 1pk0 s LYS 421 Ca -0.11 1.57 0.00 0.00 -0.36 0.00 0.00 55.97 57.07 1pk0 s LYS 421 Cb -0.14 -3.92 0.00 0.00 -1.51 0.00 0.00 37.83 32.26 1pk0 s LYS 421 CO -0.00 -1.07 0.00 0.41 -0.36 0.00 0.00 175.35 174.33 1pk0 n GLY 422 N 4.27 2.30 3.69 5.54 0.00 0.24 -4.97 105.19 116.26 1pk0 n GLY 422 Ca 0.16 -1.86 -0.31 0.00 0.00 0.00 0.00 46.02 44.01 1pk0 n GLY 422 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pk0 s LYS 423 N 4.00 1.28 0.57 1.61 -2.85 -1.26 -4.44 119.74 118.65 1pk0 s LYS 423 Ca 0.00 1.53 -0.05 0.00 -1.00 0.00 0.00 55.97 56.45 1pk0 s LYS 423 Cb 0.00 -1.76 0.01 0.00 -2.06 0.00 0.00 37.83 34.02 1pk0 s LYS 423 CO 0.00 -2.44 0.87 -1.59 0.10 0.00 0.00 175.35 172.30 1pk0 s LYS 424 N -4.61 2.97 -0.10 1.78 -2.85 -1.26 -1.30 119.74 114.37 1pk0 s LYS 424 Ca 0.67 -0.04 -0.18 0.00 -1.00 0.00 0.00 55.97 55.41 1pk0 s LYS 424 Cb -0.23 -2.31 0.04 0.00 -2.06 0.00 0.00 37.83 33.28 1pk0 s LYS 424 CO 0.56 -0.63 0.45 -2.00 0.10 0.00 0.00 175.35 173.84 1pk0 s GLU 425 N -4.93 0.67 -0.11 1.78 2.12 0.11 -4.85 118.70 113.49 1pk0 s GLU 425 Ca 0.53 0.31 0.02 0.00 0.36 0.00 0.00 54.97 56.19 1pk0 s GLU 425 Cb -0.10 0.32 0.01 0.00 0.26 0.00 0.00 34.13 34.61 1pk0 s GLU 425 CO 0.44 -0.15 -0.17 0.42 -0.54 0.00 0.00 175.26 175.26 1pk0 s ILE 426 N -0.51 1.62 -0.02 -3.70 1.01 -1.26 0.60 121.20 118.94 1pk0 s ILE 426 Ca -0.06 -0.73 0.02 0.00 0.00 0.00 0.00 60.65 59.88 1pk0 s ILE 426 Cb -0.03 -1.46 -0.02 0.00 0.01 0.00 0.00 42.46 40.95 1pk0 s ILE 426 CO 0.03 0.46 0.01 -0.67 0.00 0.00 0.00 174.94 174.77 1pk0 n ASP 427 N 4.07 4.47 -3.31 3.58 -0.08 -0.33 -4.88 116.55 120.05 1pk0 n ASP 427 Ca -0.20 -0.00 -0.11 0.00 -1.51 0.00 0.00 54.79 52.98 1pk0 n ASP 427 Cb 0.52 0.52 -0.06 0.00 2.34 0.00 0.00 41.12 44.44 1pk0 n ASP 427 CO 0.00 0.00 0.00 0.21 0.12 0.00 0.00 177.20 177.53 1pk0 s ASN 428 N -3.29 0.37 0.00 1.67 2.47 -1.26 -4.84 114.94 110.06 1pk0 s ASN 428 Ca -0.01 -1.08 0.00 0.00 0.42 0.00 0.00 52.86 52.19 1pk0 s ASN 428 Cb 0.01 1.01 0.00 0.00 -1.45 0.00 0.00 41.25 40.82 1pk0 s ASN 428 CO 0.08 -0.27 0.00 0.61 -3.72 0.00 0.00 177.10 173.81 1pk0 n GLY 429 N 4.59 -0.16 3.23 1.21 0.00 -1.26 -4.83 105.19 107.96 1pk0 n GLY 429 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 1pk0 n GLY 429 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pk0 s LYS 430 N -1.93 1.86 -0.16 1.61 1.02 -1.26 -5.12 119.74 115.76 1pk0 s LYS 430 Ca 0.00 -0.78 -0.20 0.00 0.02 0.00 0.00 55.97 55.01 1pk0 s LYS 430 Cb 0.00 -1.75 -0.03 0.00 -0.52 0.00 0.00 37.83 35.53 1pk0 s LYS 430 CO 0.00 0.44 0.55 0.21 -0.92 0.00 0.00 175.35 175.64 1pk0 s LYS 431 N -0.43 4.27 0.14 1.68 2.20 -1.26 -1.19 119.74 125.16 1pk0 s LYS 431 Ca 0.06 0.53 0.05 0.00 -0.36 0.00 0.00 55.97 56.25 1pk0 s LYS 431 Cb -0.09 -3.51 -0.04 0.00 -1.51 0.00 0.00 37.83 32.67 1pk0 s LYS 431 CO -0.00 -0.05 -0.11 0.71 -0.36 0.00 0.00 175.35 175.54 1pk0 s TYR 432 N 1.29 1.30 -0.11 4.03 1.51 0.20 -1.96 117.35 123.62 1pk0 s TYR 432 Ca 0.27 -0.71 -0.00 0.00 -1.01 0.00 0.00 57.07 55.62 1pk0 s TYR 432 Cb -0.16 -0.66 0.02 0.00 -0.11 0.00 0.00 41.96 41.06 1pk0 s TYR 432 CO 0.11 0.11 -0.08 0.71 -1.11 0.00 0.00 175.55 175.29 1pk0 s TYR 433 N -3.07 1.44 0.53 2.71 4.12 0.02 0.08 117.35 123.17 1pk0 s TYR 433 Ca 0.15 -0.69 -0.22 0.00 0.02 0.00 0.00 57.07 56.33 1pk0 s TYR 433 Cb 0.01 -1.19 -0.05 0.00 -1.52 0.00 0.00 41.96 39.21 1pk0 s TYR 433 CO 0.01 -0.48 1.34 -0.51 0.02 0.00 0.00 175.55 175.94 1pk0 s LEU 434 N 1.59 3.89 -0.14 -1.29 1.02 -0.42 -0.22 118.68 123.11 1pk0 s LEU 434 Ca 0.03 2.73 0.01 0.00 0.02 0.00 0.00 54.13 56.91 1pk0 s LEU 434 Cb -0.13 -4.24 0.02 0.00 0.02 0.00 0.00 46.19 41.86 1pk0 s LEU 434 CO -0.07 -1.46 -0.15 -0.76 0.02 0.00 0.00 176.35 173.93 1pk0 s LEU 435 N -3.39 1.74 0.42 1.79 1.43 0.49 0.80 118.68 121.95 1pk0 s LEU 435 Ca 0.70 -0.49 0.06 0.00 -1.03 0.00 0.00 54.13 53.37 1pk0 s LEU 435 Cb -0.39 -1.19 0.01 0.00 0.03 0.00 0.00 46.19 44.64 1pk0 s LEU 435 CO 0.47 -0.03 0.58 -1.61 0.23 0.00 0.00 176.35 175.99 1pk0 s GLU 436 N 1.34 2.88 -0.15 1.70 8.01 -0.16 -3.68 118.70 128.64 1pk0 s GLU 436 Ca 0.02 -1.05 -0.29 0.00 0.01 0.00 0.00 54.97 53.66 1pk0 s GLU 436 Cb -0.13 -2.72 0.09 0.00 -4.31 0.00 0.00 34.13 27.05 1pk0 s GLU 436 CO -0.09 -0.25 0.80 -1.54 0.01 0.00 0.00 175.26 174.20 1pk0 s SER 437 N -4.30 -0.59 0.00 -0.19 1.04 -1.26 -2.35 113.70 106.05 1pk0 s SER 437 Ca 0.52 0.83 0.00 0.00 0.48 0.00 0.00 55.95 57.78 1pk0 s SER 437 Cb -0.10 0.73 0.00 0.00 0.10 0.00 0.00 66.02 66.75 1pk0 s SER 437 CO 0.34 -0.42 0.29 -0.46 0.98 0.00 0.00 173.24 173.97 1pk0 n ASN 438 N 1.42 0.02 -4.79 7.02 2.04 -1.26 -4.75 115.26 114.96 1pk0 n ASN 438 Ca -0.15 -0.60 -0.34 0.00 -0.44 0.00 0.00 54.58 53.05 1pk0 n ASN 438 Cb 0.57 -0.01 -0.03 0.00 -2.53 0.00 0.00 39.78 37.78 1pk0 n ASN 438 CO 0.00 0.00 0.00 0.21 -0.44 0.00 0.00 177.26 177.03 1pk0 s ASN 439 N -1.64 6.23 -0.00 0.53 3.84 -1.26 -4.99 114.94 117.65 1pk0 s ASN 439 Ca 0.00 1.99 0.14 0.00 0.21 0.00 0.00 52.86 55.19 1pk0 s ASN 439 Cb 0.00 -2.57 -0.16 0.00 -0.55 0.00 0.00 41.25 37.97 1pk0 s ASN 439 CO 0.00 -0.86 0.53 0.00 -2.79 0.00 0.00 177.10 173.98 1pk0 n GLN 440 N -1.00 2.10 -0.06 0.43 0.00 -1.26 -4.68 117.38 112.90 1pk0 n GLN 440 Ca 0.10 -0.02 -0.21 0.00 0.00 0.00 0.00 57.00 56.86 1pk0 n GLN 440 Cb 0.52 -1.18 -0.13 0.00 0.00 0.00 0.00 30.24 29.45 1pk0 n GLN 440 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1pk0 n VAL 441 N -1.45 1.64 -3.96 -0.39 0.31 -1.26 -4.78 118.33 108.45 1pk0 n VAL 441 Ca 0.02 -0.53 -0.22 0.00 -0.01 0.00 0.00 64.34 63.60 1pk0 n VAL 441 Cb 0.24 -1.69 -0.04 0.00 -0.91 0.00 0.00 33.84 31.44 1pk0 n VAL 441 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1pk0 s TYR 442 N -2.52 2.92 -0.04 3.52 1.51 -1.26 -0.18 117.35 121.29 1pk0 s TYR 442 Ca -0.29 -0.26 0.02 0.00 -1.01 0.00 0.00 57.07 55.53 1pk0 s TYR 442 Cb 0.08 -1.64 0.01 0.00 -0.11 0.00 0.00 41.96 40.30 1pk0 s TYR 442 CO 0.67 0.32 -0.07 -2.00 -1.11 0.00 0.00 175.55 173.36 1pk0 s GLU 443 N -3.92 0.99 0.10 -0.62 2.12 0.26 -4.77 118.70 112.87 1pk0 s GLU 443 Ca 0.38 -0.22 0.10 0.00 0.36 0.00 0.00 54.97 55.59 1pk0 s GLU 443 Cb -0.06 -0.92 -0.04 0.00 0.26 0.00 0.00 34.13 33.37 1pk0 s GLU 443 CO 0.25 0.00 -0.26 -0.06 -0.54 0.00 0.00 175.26 174.65 1pk0 s PHE 444 N 0.60 2.25 0.08 5.30 0.40 -1.24 -1.29 117.98 124.08 1pk0 s PHE 444 Ca -0.09 -0.39 -0.08 0.00 -0.60 0.00 0.00 56.93 55.76 1pk0 s PHE 444 Cb -0.12 -1.26 -0.00 0.00 0.51 0.00 0.00 43.02 42.14 1pk0 s PHE 444 CO 0.01 0.26 0.18 -0.98 0.70 0.00 0.00 175.22 175.39 1pk0 s ARG 445 N -1.80 0.81 0.03 0.44 3.03 -0.39 -0.38 118.95 120.67 1pk0 s ARG 445 Ca 0.13 -0.93 0.07 0.00 2.03 0.00 0.00 55.73 57.03 1pk0 s ARG 445 Cb -0.10 0.33 -0.02 0.00 -1.03 0.00 0.00 34.95 34.12 1pk0 s ARG 445 CO 0.05 -0.25 -0.20 -1.50 -1.13 0.00 0.00 175.30 172.27 1pk0 s ILE 446 N -3.67 1.62 0.23 4.99 2.07 0.69 -0.26 121.20 126.86 1pk0 s ILE 446 Ca 0.04 -1.09 -0.30 0.00 -1.41 0.00 0.00 60.65 57.89 1pk0 s ILE 446 Cb 0.04 -1.39 -0.09 0.00 0.13 0.00 0.00 42.46 41.16 1pk0 s ILE 446 CO -0.10 0.26 1.03 -0.55 -1.91 0.00 0.00 174.94 173.68 1pk0 s SER 447 N -0.98 7.42 0.11 4.50 0.15 0.79 -0.80 113.70 124.89 1pk0 s SER 447 Ca 0.07 2.07 -0.07 0.00 0.70 0.00 0.00 55.95 58.73 1pk0 s SER 447 Cb -0.08 -2.61 -0.14 0.00 -1.71 0.00 0.00 66.02 61.48 1pk0 s SER 447 CO 0.01 -0.05 1.27 -0.78 1.20 0.00 0.00 173.24 174.88 1pk0 h ASP 448 N 4.41 0.62 0.00 5.45 1.82 -1.73 -2.17 116.42 124.82 1pk0 h ASP 448 Ca -0.45 -0.51 0.00 0.00 -0.39 0.00 0.00 57.03 55.68 1pk0 h ASP 448 Cb 1.21 -0.19 0.00 0.00 0.68 0.00 0.00 39.33 41.03 1pk0 h ASP 448 CO 0.69 1.31 0.00 -0.62 -1.61 0.00 0.00 179.24 179.01 1pk0 n GLU 449 N -3.76 0.00 0.00 0.28 1.02 -1.26 -4.27 120.64 112.65 1pk0 n GLU 449 Ca -0.08 0.34 0.12 0.00 -0.02 0.00 0.00 57.16 57.53 1pk0 n GLU 449 Cb 0.86 -1.26 0.22 0.00 -0.02 0.00 0.00 31.44 31.24 1pk0 n GLU 449 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1pk0 n ASN 450 N -1.53 1.40 -1.46 1.62 0.23 -1.26 -4.98 115.26 109.29 1pk0 n ASN 450 Ca 0.00 -1.12 -0.12 0.00 -0.53 0.00 0.00 54.58 52.80 1pk0 n ASN 450 Cb 0.00 0.29 -0.00 0.00 -2.08 0.00 0.00 39.78 37.98 1pk0 n ASN 450 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1pk0 n ASN 451 N -0.44 -3.93 -4.80 0.53 3.02 -0.81 -4.92 115.26 103.90 1pk0 n ASN 451 Ca 0.11 -0.03 -0.38 0.00 -0.03 0.00 0.00 54.58 54.25 1pk0 n ASN 451 Cb 0.39 -3.09 -0.06 0.00 -0.61 0.00 0.00 39.78 36.41 1pk0 n ASN 451 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1pk0 s GLU 452 N -4.69 4.30 -0.13 3.52 2.02 -1.26 -2.26 118.70 120.20 1pk0 s GLU 452 Ca 0.02 0.86 -0.09 0.00 0.02 0.00 0.00 54.97 55.79 1pk0 s GLU 452 Cb -0.01 -3.15 -0.04 0.00 0.10 0.00 0.00 34.13 31.03 1pk0 s GLU 452 CO 0.03 0.56 0.17 0.08 0.02 0.00 0.00 175.26 176.12 1pk0 s VAL 453 N -1.23 5.43 0.24 2.63 1.01 -0.71 -0.15 120.40 127.61 1pk0 s VAL 453 Ca 0.34 0.29 0.09 0.00 0.00 0.00 0.00 61.98 62.70 1pk0 s VAL 453 Cb -0.20 -3.46 -0.05 0.00 0.00 0.00 0.00 36.38 32.67 1pk0 s VAL 453 CO 0.21 0.55 -0.15 -1.10 0.00 0.00 0.00 175.10 174.62 1pk0 s GLN 454 N -0.57 1.48 0.07 2.72 -0.21 0.65 -2.13 119.66 121.66 1pk0 s GLN 454 Ca 0.14 -1.68 -0.10 0.00 0.02 0.00 0.00 55.36 53.74 1pk0 s GLN 454 Cb -0.12 -1.33 0.01 0.00 1.00 0.00 0.00 33.01 32.56 1pk0 s GLN 454 CO 0.03 0.20 0.22 1.52 -2.12 0.00 0.00 175.29 175.15 1pk0 s TYR 455 N -2.83 0.06 0.14 0.91 -0.00 -0.19 -1.27 117.35 114.17 1pk0 s TYR 455 Ca 0.26 -0.37 -0.11 0.00 -0.00 0.00 0.00 57.07 56.85 1pk0 s TYR 455 Cb -0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 41.96 41.94 1pk0 s TYR 455 CO 0.10 -0.51 0.29 -1.59 -0.00 0.00 0.00 175.55 173.85 1pk0 s LYS 456 N -3.23 1.07 0.30 -3.49 -2.85 -0.41 -1.91 119.74 109.22 1pk0 s LYS 456 Ca 0.00 -1.02 -0.22 0.00 -1.00 0.00 0.00 55.97 53.73 1pk0 s LYS 456 Cb 0.02 0.39 -0.09 0.00 -2.06 0.00 0.00 37.83 36.09 1pk0 s LYS 456 CO -0.08 -0.39 0.84 0.95 0.10 0.00 0.00 175.35 176.78 1pk0 s THR 457 N -3.90 4.42 0.96 3.79 -4.23 -0.80 -0.57 115.64 115.29 1pk0 s THR 457 Ca 0.11 1.49 -0.12 0.00 -1.18 0.00 0.00 61.69 61.99 1pk0 s THR 457 Cb 0.03 -3.86 0.16 0.00 1.34 0.00 0.00 72.50 70.18 1pk0 s THR 457 CO -0.05 0.07 1.09 -0.54 -0.54 0.00 0.00 174.62 174.64 1pk0 s LYS 458 N -2.28 0.77 0.23 3.99 1.02 0.74 -4.82 119.74 119.39 1pk0 s LYS 458 Ca 0.50 0.76 -0.32 0.00 0.02 0.00 0.00 55.97 56.93 1pk0 s LYS 458 Cb -0.16 -1.76 -0.13 0.00 -0.52 0.00 0.00 37.83 35.27 1pk0 s LYS 458 CO 0.21 -2.56 1.59 -1.91 -0.92 0.00 0.00 175.35 171.76 1pk0 n GLU 459 N -4.09 2.48 0.00 1.68 2.13 -1.26 -1.93 120.64 119.65 1pk0 n GLU 459 Ca 0.06 0.89 0.00 0.00 0.66 0.00 0.00 57.16 58.77 1pk0 n GLU 459 Cb 0.56 -2.66 0.00 0.00 0.27 0.00 0.00 31.44 29.60 1pk0 n GLU 459 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1pk0 n GLY 460 N 2.92 0.19 3.80 8.31 0.00 -1.26 -4.92 105.19 114.23 1pk0 n GLY 460 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 1pk0 n GLY 460 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pk0 s LYS 461 N 0.00 3.46 0.02 1.61 -0.14 -0.81 -5.07 119.74 118.81 1pk0 s LYS 461 Ca 0.00 1.32 0.06 0.00 -1.36 0.00 0.00 55.97 55.99 1pk0 s LYS 461 Cb 0.00 -2.05 -0.02 0.00 -1.68 0.00 0.00 37.83 34.08 1pk0 s LYS 461 CO 0.00 -0.71 -0.18 -1.50 -0.76 0.00 0.00 175.35 172.20 1pk0 s ILE 462 N -2.20 1.46 0.90 2.17 2.07 -1.26 -4.72 121.20 119.63 1pk0 s ILE 462 Ca 0.66 -0.98 -0.11 0.00 -1.41 0.00 0.00 60.65 58.82 1pk0 s ILE 462 Cb -0.17 -1.25 0.14 0.00 0.13 0.00 0.00 42.46 41.30 1pk0 s ILE 462 CO 0.30 0.25 1.10 -0.89 -1.91 0.00 0.00 174.94 173.79 1pk0 s THR 463 N -0.64 2.61 0.15 4.00 2.01 -0.39 -4.85 115.64 118.53 1pk0 s THR 463 Ca 0.06 0.20 -0.16 0.00 0.31 0.00 0.00 61.69 62.10 1pk0 s THR 463 Cb -0.08 -2.53 0.01 0.00 0.01 0.00 0.00 72.50 69.91 1pk0 s THR 463 CO 0.01 -0.26 1.80 0.58 -0.69 0.00 0.00 174.62 176.06 1pk0 h VAL 464 N -1.66 1.07 0.00 3.82 2.07 -1.97 0.10 116.25 119.69 1pk0 h VAL 464 Ca -0.48 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 66.87 1pk0 h VAL 464 Cb 1.27 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 1pk0 h VAL 464 CO 0.51 0.09 0.00 0.18 0.02 0.00 0.00 177.57 178.37 1pk0 n LEU 465 N -4.84 0.00 -2.58 2.57 4.77 -1.26 -4.85 117.00 110.80 1pk0 n LEU 465 Ca 0.01 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.91 1pk0 n LEU 465 Cb 0.04 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.17 1pk0 n LEU 465 CO 0.34 0.00 0.05 0.61 -1.33 0.00 0.00 177.39 177.06 1pk0 n GLY 466 N 0.27 -0.47 3.45 -0.72 0.00 0.35 -5.06 105.19 103.01 1pk0 n GLY 466 Ca 0.05 0.26 -0.22 0.00 0.00 0.00 0.00 46.02 46.11 1pk0 n GLY 466 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pk0 s GLU 467 N -3.74 1.67 -0.29 1.61 2.02 -1.25 -4.86 118.70 113.87 1pk0 s GLU 467 Ca 0.25 -1.94 -0.19 0.00 0.02 0.00 0.00 54.97 53.10 1pk0 s GLU 467 Cb -0.03 -0.78 0.13 0.00 0.10 0.00 0.00 34.13 33.55 1pk0 s GLU 467 CO 0.47 -0.24 0.96 -1.59 0.02 0.00 0.00 175.26 174.88 1pk0 s LYS 468 N -3.88 0.46 0.21 1.61 -2.85 -1.26 -1.26 119.74 112.77 1pk0 s LYS 468 Ca 0.35 0.71 -0.20 0.00 -1.00 0.00 0.00 55.97 55.82 1pk0 s LYS 468 Cb 0.08 0.14 0.04 0.00 -2.06 0.00 0.00 37.83 36.03 1pk0 s LYS 468 CO 0.15 -0.08 0.61 -0.59 0.10 0.00 0.00 175.35 175.54 1pk0 s PHE 469 N 1.00 -0.27 0.10 1.78 -0.12 -1.26 -5.03 117.98 114.17 1pk0 s PHE 469 Ca -0.05 -0.06 -0.00 0.00 -0.05 0.00 0.00 56.93 56.77 1pk0 s PHE 469 Cb -0.04 0.55 0.02 0.00 -0.63 0.00 0.00 43.02 42.91 1pk0 s PHE 469 CO -0.12 -1.00 0.14 -1.71 -0.05 0.00 0.00 175.22 172.48 1pk0 n ASN 470 N -0.39 0.19 -4.61 1.98 5.15 -1.26 -1.91 115.26 114.40 1pk0 n ASN 470 Ca -0.10 -1.16 -0.50 0.00 -0.60 0.00 0.00 54.58 52.22 1pk0 n ASN 470 Cb 0.62 -0.09 -0.05 0.00 -0.53 0.00 0.00 39.78 39.73 1pk0 n ASN 470 CO 0.00 0.00 0.00 0.79 1.40 0.00 0.00 177.26 179.45 1pk0 n TRP 471 N -1.58 1.69 -3.54 1.20 5.03 -1.26 -4.48 117.44 114.50 1pk0 n TRP 471 Ca 0.02 0.55 -0.16 0.00 3.03 0.00 0.00 57.50 60.94 1pk0 n TRP 471 Cb 0.08 -2.38 -0.06 0.00 -1.03 0.00 0.00 31.31 27.92 1pk0 n TRP 471 CO 0.00 0.00 0.00 -0.98 -0.03 0.00 0.00 177.69 176.68 1pk0 s ARG 472 N 0.37 0.96 0.61 -0.99 1.70 -0.80 -4.93 118.95 115.87 1pk0 s ARG 472 Ca 0.80 0.32 -0.18 0.00 -0.47 0.00 0.00 55.73 56.20 1pk0 s ARG 472 Cb -0.86 0.45 -0.04 0.00 -0.57 0.00 0.00 34.95 33.94 1pk0 s ARG 472 CO 0.46 -0.28 1.10 0.09 -1.08 0.00 0.00 175.30 175.59 1pk0 n ASN 473 N 1.08 1.32 -4.47 -2.89 4.13 -1.26 -1.02 115.26 112.15 1pk0 n ASN 473 Ca -0.17 0.82 -0.43 0.00 1.68 0.00 0.00 54.58 56.48 1pk0 n ASN 473 Cb 0.57 -1.46 -0.08 0.00 -1.54 0.00 0.00 39.78 37.27 1pk0 n ASN 473 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1pk0 s ILE 474 N -1.46 5.09 0.31 2.41 1.01 -0.91 -4.79 121.20 122.86 1pk0 s ILE 474 Ca 0.78 -0.47 -0.15 0.00 0.00 0.00 0.00 60.65 60.81 1pk0 s ILE 474 Cb -0.40 -4.08 -0.09 0.00 0.01 0.00 0.00 42.46 37.90 1pk0 s ILE 474 CO 0.45 -0.49 0.72 -1.61 0.00 0.00 0.00 174.94 174.01 1pk0 s GLU 475 N 2.12 4.01 0.03 2.79 2.02 -1.26 -0.84 118.70 127.56 1pk0 s GLU 475 Ca 0.11 0.65 0.04 0.00 0.02 0.00 0.00 54.97 55.79 1pk0 s GLU 475 Cb -0.18 -2.49 -0.02 0.00 0.10 0.00 0.00 34.13 31.54 1pk0 s GLU 475 CO 0.12 0.19 -0.11 0.14 0.02 0.00 0.00 175.26 175.62 1pk0 s VAL 476 N -1.93 0.89 0.37 2.63 -7.23 0.16 -1.66 120.40 113.62 1pk0 s VAL 476 Ca 0.53 -0.82 -0.28 0.00 -1.81 0.00 0.00 61.98 59.60 1pk0 s VAL 476 Cb -0.11 -0.81 -0.11 0.00 0.56 0.00 0.00 36.38 35.91 1pk0 s VAL 476 CO 0.18 0.01 1.46 -0.04 -0.31 0.00 0.00 175.10 176.40 1pk0 s MET 477 N -0.91 4.15 0.08 4.82 1.00 0.96 -0.99 119.30 128.41 1pk0 s MET 477 Ca 0.00 2.52 -0.07 0.00 0.00 0.00 0.00 55.69 58.14 1pk0 s MET 477 Cb -0.07 -2.99 -0.01 0.00 0.00 0.00 0.00 34.83 31.77 1pk0 s MET 477 CO 0.01 -0.48 0.15 0.00 0.00 0.00 0.00 175.02 174.69 1pk0 s ALA 478 N -1.08 -0.06 0.25 3.03 0.00 0.22 -1.85 121.76 122.27 1pk0 s ALA 478 Ca 0.53 -0.75 0.10 0.00 0.00 0.00 0.00 51.96 51.83 1pk0 s ALA 478 Cb -0.45 0.47 -0.04 0.00 0.00 0.00 0.00 23.12 23.09 1pk0 s ALA 478 CO 0.61 -0.49 -0.04 -1.59 0.00 0.00 0.00 175.76 174.25 1pk0 s LYS 479 N -3.88 2.19 -0.17 0.00 -2.85 -0.20 0.03 119.74 114.87 1pk0 s LYS 479 Ca 0.06 -1.43 -0.24 0.00 -1.00 0.00 0.00 55.97 53.36 1pk0 s LYS 479 Cb 0.05 -2.12 -0.02 0.00 -2.06 0.00 0.00 37.83 33.69 1pk0 s LYS 479 CO -0.10 0.37 0.77 1.21 0.10 0.00 0.00 175.35 177.70 1pk0 s ASN 480 N -3.53 6.89 -0.23 0.03 3.84 0.06 -1.11 114.94 120.89 1pk0 s ASN 480 Ca 0.30 1.08 -0.01 0.00 0.21 0.00 0.00 52.86 54.45 1pk0 s ASN 480 Cb -0.07 -2.42 0.07 0.00 -0.55 0.00 0.00 41.25 38.28 1pk0 s ASN 480 CO 0.19 -0.34 0.01 -0.69 -2.79 0.00 0.00 177.10 173.47 1pk0 s VAL 481 N 1.97 1.05 -1.35 -5.21 1.01 0.31 -4.82 120.40 113.37 1pk0 s VAL 481 Ca 0.36 -1.02 -0.04 0.00 0.00 0.00 0.00 61.98 61.28 1pk0 s VAL 481 Cb -0.16 -1.50 0.02 0.00 0.00 0.00 0.00 36.38 34.74 1pk0 s VAL 481 CO 0.12 -0.25 0.85 -0.62 0.00 0.00 0.00 175.10 175.20 1pk0 n GLU 482 N 4.84 -5.55 0.00 2.72 -0.58 -1.26 -0.95 120.64 119.85 1pk0 n GLU 482 Ca -0.09 0.66 0.00 0.00 -0.42 0.00 0.00 57.16 57.32 1pk0 n GLU 482 Cb 0.45 -5.40 0.00 0.00 -0.57 0.00 0.00 31.44 25.92 1pk0 n GLU 482 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1pk0 n GLY 483 N -1.58 2.53 3.68 0.62 0.00 -1.26 -4.98 105.19 104.20 1pk0 n GLY 483 Ca -0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 1pk0 n GLY 483 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pk0 s VAL 484 N -2.68 4.21 -0.38 1.61 1.01 -0.13 -5.08 120.40 118.96 1pk0 s VAL 484 Ca 0.00 -0.44 -0.21 0.00 0.00 0.00 0.00 61.98 61.33 1pk0 s VAL 484 Cb 0.00 -2.82 0.01 0.00 0.00 0.00 0.00 36.38 33.57 1pk0 s VAL 484 CO 0.00 0.49 0.66 -0.22 0.00 0.00 0.00 175.10 176.02 1pk0 s LEU 485 N -1.23 4.30 -0.10 3.92 2.96 -1.26 0.11 118.68 127.38 1pk0 s LEU 485 Ca 0.17 0.04 0.01 0.00 -0.22 0.00 0.00 54.13 54.13 1pk0 s LEU 485 Cb -0.11 -2.80 -0.02 0.00 0.50 0.00 0.00 46.19 43.76 1pk0 s LEU 485 CO 0.06 -0.66 -0.12 -0.54 -1.32 0.00 0.00 176.35 173.77 1pk0 s LYS 486 N 2.79 3.04 0.64 1.98 1.02 -0.27 -4.92 119.74 124.03 1pk0 s LYS 486 Ca 0.25 -0.67 -0.18 0.00 0.02 0.00 0.00 55.97 55.39 1pk0 s LYS 486 Cb -0.14 -2.55 -0.02 0.00 -0.52 0.00 0.00 37.83 34.59 1pk0 s LYS 486 CO 0.16 0.39 1.13 -0.35 -0.92 0.00 0.00 175.35 175.76 1pk0 n PRO 487 N 3.00 0.94 -4.08 -1.68 -0.04 -1.26 -1.03 135.00 130.84 1pk0 n PRO 487 Ca -0.18 0.37 -0.22 0.00 -0.04 0.00 0.00 63.50 63.43 1pk0 n PRO 487 Cb 0.53 -2.36 -0.06 0.00 -0.04 0.00 0.00 33.50 31.57 1pk0 n PRO 487 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1pk0 s LEU 488 N -3.35 3.40 0.26 1.53 1.43 -0.77 -3.96 118.68 117.22 1pk0 s LEU 488 Ca 0.79 -0.61 -0.10 0.00 -1.03 0.00 0.00 54.13 53.18 1pk0 s LEU 488 Cb -0.39 -1.93 -0.01 0.00 0.03 0.00 0.00 46.19 43.90 1pk0 s LEU 488 CO 0.44 -0.22 0.45 0.28 0.23 0.00 0.00 176.35 177.53 1pk0 s THR 489 N -2.34 0.00 0.46 5.49 -1.32 0.08 -3.78 115.64 114.24 1pk0 s THR 489 Ca 0.36 -1.49 -0.23 0.00 -1.21 0.00 0.00 61.69 59.12 1pk0 s THR 489 Cb -0.05 -2.32 -0.09 0.00 -1.51 0.00 0.00 72.50 68.53 1pk0 s THR 489 CO 0.23 0.00 1.07 0.00 -2.21 0.00 0.00 174.62 173.71 1pk0 n ALA 490 N -0.40 0.47 -3.54 11.08 0.00 -1.26 -1.54 120.51 125.32 1pk0 n ALA 490 Ca -0.01 0.19 -0.25 0.00 0.00 0.00 0.00 53.44 53.37 1pk0 n ALA 490 Cb 0.62 -2.14 0.02 0.00 0.00 0.00 0.00 19.45 17.96 1pk0 n ALA 490 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1pk0 n ASP 491 N 0.13 2.36 -4.44 0.00 5.75 -1.26 -4.71 116.55 114.38 1pk0 n ASP 491 Ca 0.10 -2.61 -0.44 0.00 -0.01 0.00 0.00 54.79 51.83 1pk0 n ASP 491 Cb 0.41 -0.17 -0.07 0.00 -1.03 0.00 0.00 41.12 40.26 1pk0 n ASP 491 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 1pk0 s TYR 492 N -2.43 3.11 -0.24 2.11 2.02 0.13 -4.88 117.35 117.16 1pk0 s TYR 492 Ca 0.39 -0.57 -0.20 0.00 -0.37 0.00 0.00 57.07 56.33 1pk0 s TYR 492 Cb -0.03 -3.34 -0.02 0.00 -0.40 0.00 0.00 41.96 38.17 1pk0 s TYR 492 CO 0.25 -0.92 0.60 -0.51 -1.57 0.00 0.00 175.55 173.40 1pk0 s ASP 493 N 2.48 6.57 -0.10 2.29 1.11 -1.26 -4.46 116.67 123.30 1pk0 s ASP 493 Ca 0.13 0.70 -0.30 0.00 0.18 0.00 0.00 52.55 53.26 1pk0 s ASP 493 Cb -0.20 -2.33 -0.02 0.00 1.07 0.00 0.00 42.92 41.45 1pk0 s ASP 493 CO 0.11 -0.33 1.18 -0.76 1.18 0.00 0.00 175.17 176.56 1pk0 s LEU 494 N 2.32 4.24 0.04 1.23 1.43 -1.26 -0.68 118.68 125.99 1pk0 s LEU 494 Ca 0.26 1.71 -0.18 0.00 -1.03 0.00 0.00 54.13 54.89 1pk0 s LEU 494 Cb -0.16 -3.55 -0.19 0.00 0.03 0.00 0.00 46.19 42.32 1pk0 s LEU 494 CO 0.09 -0.62 1.20 0.15 0.23 0.00 0.00 176.35 177.41 1pk0 h PHE 495 N 7.60 0.68 -1.39 0.29 3.04 0.61 -0.23 116.94 127.54 1pk0 h PHE 495 Ca -0.31 -0.31 0.13 0.00 3.98 0.00 0.00 57.97 61.46 1pk0 h PHE 495 Cb 1.14 -0.10 -0.26 0.00 2.56 0.00 0.00 35.95 39.29 1pk0 h PHE 495 CO 0.75 1.10 0.67 0.00 -2.02 0.00 0.00 178.31 178.80 1pk0 s ALA 496 N -3.59 -2.02 -0.26 2.41 0.00 -0.96 -2.05 121.76 115.29 1pk0 s ALA 496 Ca -0.13 1.72 -0.01 0.00 0.00 0.00 0.00 51.96 53.54 1pk0 s ALA 496 Cb 0.05 -1.14 0.03 0.00 0.00 0.00 0.00 23.12 22.06 1pk0 s ALA 496 CO 0.83 -0.26 -0.05 -0.51 0.00 0.00 0.00 175.76 175.76 1pk0 s LEU 497 N -0.74 3.35 -0.41 0.00 1.43 -1.26 -1.36 118.68 119.69 1pk0 s LEU 497 Ca 0.03 -1.00 -0.04 0.00 -1.03 0.00 0.00 54.13 52.09 1pk0 s LEU 497 Cb -0.02 -1.66 0.11 0.00 0.03 0.00 0.00 46.19 44.65 1pk0 s LEU 497 CO -0.04 -0.16 0.21 0.00 0.23 0.00 0.00 176.35 176.59 1pk0 s ALA 498 N 1.29 3.16 0.51 4.21 0.00 -0.52 -4.86 121.76 125.55 1pk0 s ALA 498 Ca -0.02 -2.48 -0.03 0.00 0.00 0.00 0.00 51.96 49.43 1pk0 s ALA 498 Cb -0.18 -2.43 -0.00 0.00 0.00 0.00 0.00 23.12 20.51 1pk0 s ALA 498 CO -0.04 -1.78 0.77 -1.25 0.00 0.00 0.00 175.76 173.46 1pk0 s PRO 499 N 1.18 3.09 0.30 0.00 0.04 -1.23 0.88 135.00 139.26 1pk0 s PRO 499 Ca 0.07 -0.20 -0.28 0.00 0.04 0.00 0.00 61.00 60.64 1pk0 s PRO 499 Cb -0.23 -2.42 -0.09 0.00 0.04 0.00 0.00 34.50 31.79 1pk0 s PRO 499 CO -0.04 -0.41 1.03 0.45 0.04 0.00 0.00 177.00 178.07 1pk0 s SER 500 N -4.23 7.25 0.26 6.66 0.15 -0.69 0.87 113.70 123.97 1pk0 s SER 500 Ca 0.50 2.07 -0.02 0.00 0.70 0.00 0.00 55.95 59.20 1pk0 s SER 500 Cb -0.10 -2.61 0.55 0.00 -1.71 0.00 0.00 66.02 62.15 1pk0 s SER 500 CO 0.42 -0.14 1.70 -0.07 1.20 0.00 0.00 173.24 176.35 1pk0 h LEU 501 N 3.49 0.18 0.06 3.45 3.38 -1.88 0.31 115.31 124.29 1pk0 h LEU 501 Ca -0.47 0.14 0.02 0.00 0.09 0.00 0.00 57.88 57.67 1pk0 h LEU 501 Cb 1.21 0.15 -0.03 0.00 0.09 0.00 0.00 40.66 42.07 1pk0 h LEU 501 CO 0.66 0.01 -0.22 0.71 0.09 0.00 0.00 178.44 179.69 1pk0 h THR 502 N 0.36 0.51 -1.03 0.22 1.35 -1.91 0.82 112.91 113.22 1pk0 h THR 502 Ca 0.46 0.00 0.28 0.00 -0.55 0.00 0.00 66.41 66.60 1pk0 h THR 502 Cb 0.80 0.51 -0.06 0.00 -1.73 0.00 0.00 68.15 67.67 1pk0 h THR 502 CO -0.49 0.00 0.71 -0.08 -0.25 0.00 0.00 175.52 175.41 1pk0 h GLU 503 N -0.37 0.15 -0.16 4.72 4.57 -1.30 1.14 114.58 123.33 1pk0 h GLU 503 Ca 0.04 -0.01 -0.16 0.00 -1.18 0.00 0.00 59.36 58.05 1pk0 h GLU 503 Cb 0.42 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.97 1pk0 h GLU 503 CO -0.16 0.10 -0.58 0.82 -1.18 0.00 0.00 179.01 178.01 1pk0 h ILE 504 N 0.15 1.33 -0.56 2.32 1.08 0.03 -3.10 117.51 118.78 1pk0 h ILE 504 Ca 0.52 -1.85 0.10 0.00 -0.39 0.00 0.00 64.86 63.24 1pk0 h ILE 504 Cb 1.78 1.83 -0.08 0.00 -3.07 0.00 0.00 36.82 37.28 1pk0 h ILE 504 CO -0.11 0.57 0.11 0.50 -0.69 0.00 0.00 178.15 178.54 1pk0 h LYS 505 N 0.38 0.24 0.00 2.37 1.63 0.24 0.28 116.57 121.71 1pk0 h LYS 505 Ca 0.00 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1pk0 h LYS 505 Cb 1.12 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.69 1pk0 h LYS 505 CO 0.10 0.16 0.17 1.63 -3.45 0.00 0.00 179.45 178.07 1pk0 n LYS 506 N -5.12 0.11 0.04 1.90 5.02 -1.00 0.10 118.16 119.21 1pk0 n LYS 506 Ca 0.07 0.60 -0.07 0.00 -2.02 0.00 0.00 58.31 56.89 1pk0 n LYS 506 Cb 0.29 -2.04 -0.12 0.00 -0.02 0.00 0.00 35.03 33.13 1pk0 n LYS 506 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 1pk0 h GLN 507 N 0.00 0.00 -6.45 1.97 5.75 -0.54 -3.45 115.11 112.39 1pk0 h GLN 507 Ca 0.00 0.00 -0.54 0.00 -0.15 0.00 0.00 58.65 57.96 1pk0 h GLN 507 Cb 0.35 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.89 1pk0 h GLN 507 CO 0.00 0.86 0.50 0.42 -2.65 0.00 0.00 178.83 177.96 1pk0 s ILE 508 N -2.69 4.32 0.08 2.39 1.01 0.11 -4.98 121.20 121.45 1pk0 s ILE 508 Ca -0.00 1.66 -0.31 0.00 0.00 0.00 0.00 60.65 62.00 1pk0 s ILE 508 Cb 0.09 -4.06 -0.09 0.00 0.01 0.00 0.00 42.46 38.41 1pk0 s ILE 508 CO 0.82 0.12 1.78 -2.16 0.00 0.00 0.00 174.94 175.50 1pk0 s PRO 509 N 1.10 4.16 0.67 2.79 0.04 -1.26 -4.84 135.00 137.65 1pk0 s PRO 509 Ca 0.56 2.48 0.24 0.00 0.04 0.00 0.00 61.00 64.33 1pk0 s PRO 509 Cb -0.26 -3.69 1.32 0.00 0.04 0.00 0.00 34.50 31.90 1pk0 s PRO 509 CO 0.28 -0.82 1.74 0.37 0.04 0.00 0.00 177.00 178.62 1pk0 h GLN 510 N 8.81 0.00 0.15 4.56 5.75 -1.93 -1.44 115.11 131.01 1pk0 h GLN 510 Ca -0.45 0.00 -0.29 0.00 -0.15 0.00 0.00 58.65 57.76 1pk0 h GLN 510 Cb 1.21 0.00 0.01 0.00 1.07 0.00 0.00 27.48 29.77 1pk0 h GLN 510 CO 0.94 0.00 -1.42 -0.22 -2.65 0.00 0.00 178.83 175.48 1pk0 h LYS 511 N 0.00 0.32 -0.01 1.69 3.64 -1.99 -3.06 116.57 117.17 1pk0 h LYS 511 Ca 0.00 -0.54 -0.12 0.00 -1.27 0.00 0.00 60.65 58.72 1pk0 h LYS 511 Cb 0.93 0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.93 1pk0 h LYS 511 CO -0.00 1.26 -0.57 1.49 -2.27 0.00 0.00 179.45 179.36 1pk0 h GLU 512 N -0.17 0.03 0.00 1.90 4.81 -1.67 0.12 114.58 119.60 1pk0 h GLU 512 Ca -0.29 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 58.86 1pk0 h GLU 512 Cb 1.87 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.24 1pk0 h GLU 512 CO 0.12 0.59 -0.31 2.35 -0.73 0.00 0.00 179.01 181.03 1pk0 h TRP 513 N 0.02 0.00 0.01 0.92 7.01 -1.49 -3.16 115.95 119.27 1pk0 h TRP 513 Ca -0.01 0.00 -0.03 0.00 2.11 0.00 0.00 58.89 60.96 1pk0 h TRP 513 Cb 1.02 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 28.08 1pk0 h TRP 513 CO 0.00 0.31 -0.17 -0.44 -2.79 0.00 0.00 178.44 175.36 1pk0 h ASP 514 N 0.00 0.05 0.00 2.65 3.32 -1.19 -0.36 116.42 120.89 1pk0 h ASP 514 Ca -0.00 -0.96 0.00 0.00 0.02 0.00 0.00 57.03 56.08 1pk0 h ASP 514 Cb 0.88 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.42 1pk0 h ASP 514 CO 0.04 1.07 0.00 0.29 -1.72 0.00 0.00 179.24 178.92 1pk0 n LYS 515 N -4.55 0.00 0.00 3.56 5.02 0.32 -0.00 118.16 122.51 1pk0 n LYS 515 Ca -0.12 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.17 1pk0 n LYS 515 Cb 0.53 -1.39 0.00 0.00 -0.02 0.00 0.00 35.03 34.15 1pk0 n LYS 515 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1pk0 n VAL 516 N -0.80 0.00 1.17 -0.18 0.24 -1.22 -4.69 118.33 112.84 1pk0 n VAL 516 Ca 0.00 0.00 0.13 0.00 -2.04 0.00 0.00 64.34 62.43 1pk0 n VAL 516 Cb 0.00 -0.52 0.51 0.00 -1.47 0.00 0.00 33.84 32.36 1pk0 n VAL 516 CO 0.00 0.00 0.00 0.55 -2.14 0.00 0.00 176.83 175.24 1pk0 n VAL 517 N -1.55 0.00 -3.74 3.34 3.14 -0.15 -4.41 118.33 114.96 1pk0 n VAL 517 Ca 0.00 -0.03 -0.36 0.00 -2.96 0.00 0.00 64.34 60.99 1pk0 n VAL 517 Cb 0.29 -0.11 -0.10 0.00 -1.06 0.00 0.00 33.84 32.87 1pk0 n VAL 517 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 1pk0 s ASN 518 N -2.78 5.19 -0.16 6.55 0.02 1.00 -5.02 114.94 119.73 1pk0 s ASN 518 Ca 0.19 -2.72 -0.34 0.00 -1.02 0.00 0.00 52.86 48.97 1pk0 s ASN 518 Cb 0.19 -1.84 0.13 0.00 0.02 0.00 0.00 41.25 39.76 1pk0 s ASN 518 CO 0.56 -0.39 1.16 0.28 0.02 0.00 0.00 177.10 178.72 1pk0 s THR 519 N 0.13 0.00 0.00 1.60 -1.32 -1.26 -4.80 115.64 109.99 1pk0 s THR 519 Ca 0.15 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.63 1pk0 s THR 519 Cb -0.21 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.78 1pk0 s THR 519 CO -0.03 0.00 0.16 -0.81 -2.21 0.00 0.00 174.62 171.73 1pk0 n PRO 520 N -0.09 0.00 0.00 7.08 -0.04 -1.26 -4.87 135.00 135.82 1pk0 n PRO 520 Ca -0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 1pk0 n PRO 520 Cb 0.59 -0.64 0.00 0.00 -0.04 0.00 0.00 33.50 33.41 1pk0 n PRO 520 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1pk0 n ASN 521 N -0.47 0.00 -0.35 3.54 3.02 -1.26 -4.78 115.26 114.96 1pk0 n ASN 521 Ca 0.00 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.67 1pk0 n ASN 521 Cb 0.00 0.00 0.30 0.00 -0.61 0.00 0.00 39.78 39.47 1pk0 n ASN 521 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 1pk0 h SER 522 N 0.00 0.81 -0.07 6.41 0.87 -2.00 -0.97 113.55 118.61 1pk0 h SER 522 Ca 0.00 0.09 -0.10 0.00 -1.23 0.00 0.00 61.79 60.55 1pk0 h SER 522 Cb 0.00 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 61.90 1pk0 h SER 522 CO 0.00 0.32 -0.35 0.25 -0.53 0.00 0.00 176.83 176.52 1pk0 h LEU 523 N 0.81 0.43 0.00 2.23 5.85 -2.01 -2.87 115.31 119.76 1pk0 h LEU 523 Ca 0.56 -0.65 0.00 0.00 0.84 0.00 0.00 57.88 58.63 1pk0 h LEU 523 Cb 0.81 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.71 1pk0 h LEU 523 CO -0.36 1.02 0.00 1.21 -0.34 0.00 0.00 178.44 179.97 1pk0 n GLU 524 N -4.39 0.62 -0.02 1.25 2.13 -0.92 -2.67 120.64 116.63 1pk0 n GLU 524 Ca -0.08 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.61 1pk0 n GLU 524 Cb 0.52 -1.33 -0.11 0.00 0.27 0.00 0.00 31.44 30.80 1pk0 n GLU 524 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 1pk0 h LYS 525 N 0.00 -0.02 0.23 5.31 1.63 -0.95 -3.08 116.57 119.69 1pk0 h LYS 525 Ca 0.00 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 1pk0 h LYS 525 Cb 0.00 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.64 1pk0 h LYS 525 CO 0.00 0.62 -0.11 0.37 -3.45 0.00 0.00 179.45 176.88 1pk0 h GLN 526 N -0.70 -0.29 -0.94 1.90 4.15 -1.64 -3.09 115.11 114.50 1pk0 h GLN 526 Ca -0.00 0.02 0.27 0.00 0.77 0.00 0.00 58.65 59.71 1pk0 h GLN 526 Cb 0.65 0.07 -0.04 0.00 0.21 0.00 0.00 27.48 28.37 1pk0 h GLN 526 CO 0.00 0.07 0.91 -0.22 -1.93 0.00 0.00 178.83 177.67 1pk0 h LYS 527 N -0.76 0.00 0.01 1.69 3.64 -1.69 0.14 116.57 119.59 1pk0 h LYS 527 Ca -0.03 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1pk0 h LYS 527 Cb 0.50 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1pk0 h LYS 527 CO 0.05 0.00 -0.01 0.78 -2.27 0.00 0.00 179.45 178.01 1pk0 h GLY 528 N 0.00 -0.02 1.02 5.01 0.00 -1.44 -2.84 103.07 104.79 1pk0 h GLY 528 Ca 0.45 0.01 -0.11 0.00 0.00 0.00 0.00 47.33 47.67 1pk0 h GLY 528 CO -0.00 -0.01 -0.20 -2.08 0.00 0.00 0.00 176.54 174.24 1pk0 h VAL 529 N -0.55 1.28 -0.82 4.60 2.07 -0.87 -2.97 116.25 119.00 1pk0 h VAL 529 Ca -0.00 -1.34 0.18 0.00 0.82 0.00 0.00 66.70 66.36 1pk0 h VAL 529 Cb 0.53 1.33 -0.11 0.00 -1.52 0.00 0.00 31.29 31.51 1pk0 h VAL 529 CO 0.00 0.45 0.31 0.74 0.02 0.00 0.00 177.57 179.09 1pk0 h THR 530 N 0.62 0.54 0.00 2.57 2.02 -1.15 0.39 112.91 117.89 1pk0 h THR 530 Ca 0.08 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.13 1pk0 h THR 530 Cb 0.76 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 1pk0 h THR 530 CO 0.06 0.07 0.00 -1.13 0.37 0.00 0.00 175.52 174.89 1pk0 h ASN 531 N 0.39 0.00 0.11 4.18 -0.73 -1.39 -2.15 115.58 115.99 1pk0 h ASN 531 Ca 0.48 0.00 -0.25 0.00 1.87 0.00 0.00 56.30 58.40 1pk0 h ASN 531 Cb 0.84 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.43 1pk0 h ASN 531 CO -0.49 0.00 -1.28 -0.07 -0.37 0.00 0.00 177.43 175.22 1pk0 h LEU 532 N 0.00 0.37 -0.85 0.34 3.38 -0.44 -2.21 115.31 115.90 1pk0 h LEU 532 Ca 0.00 -0.86 0.19 0.00 0.09 0.00 0.00 57.88 57.30 1pk0 h LEU 532 Cb 0.70 -0.12 -0.12 0.00 0.09 0.00 0.00 40.66 41.21 1pk0 h LEU 532 CO 0.00 1.56 0.36 0.25 0.09 0.00 0.00 178.44 180.70 1pk0 h LEU 533 N -0.36 0.30 0.00 1.67 5.85 -0.34 0.47 115.31 122.90 1pk0 h LEU 533 Ca -0.27 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.59 1pk0 h LEU 533 Cb 1.71 0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.86 1pk0 h LEU 533 CO 0.06 0.04 0.00 -0.38 -0.34 0.00 0.00 178.44 177.82 1pk0 n ILE 534 N -5.03 0.00 -0.33 4.05 5.41 -0.82 -1.10 119.36 121.53 1pk0 n ILE 534 Ca 0.19 0.99 0.32 0.00 1.00 0.00 0.00 62.75 65.25 1pk0 n ILE 534 Cb 0.57 -1.86 0.57 0.00 -0.71 0.00 0.00 39.64 38.21 1pk0 n ILE 534 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1pk0 n LYS 535 N -1.44 -0.05 0.00 0.38 0.00 -0.83 -0.30 118.16 115.92 1pk0 n LYS 535 Ca 0.00 1.25 0.10 0.00 0.00 0.00 0.00 58.31 59.66 1pk0 n LYS 535 Cb 0.00 -2.30 -0.07 0.00 0.00 0.00 0.00 35.03 32.66 1pk0 n LYS 535 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1pk0 n TYR 536 N -4.95 0.00 0.00 5.64 4.01 0.16 -4.61 117.16 117.40 1pk0 n TYR 536 Ca 0.36 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.10 1pk0 n TYR 536 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.29 1pk0 n TYR 536 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pk0 n GLY 537 N 1.43 0.00 0.13 2.72 0.00 -0.19 -4.70 105.19 104.58 1pk0 n GLY 537 Ca 0.06 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.89 1pk0 n GLY 537 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1pk0 n ILE 538 N -0.14 1.53 -2.23 -0.61 5.41 0.60 -4.97 119.36 118.94 1pk0 n ILE 538 Ca 0.00 -0.59 -0.38 0.00 1.00 0.00 0.00 62.75 62.78 1pk0 n ILE 538 Cb 0.00 -1.45 -0.01 0.00 -0.71 0.00 0.00 39.64 37.47 1pk0 n ILE 538 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 1pk0 s GLU 539 N -2.52 3.98 0.08 0.38 2.12 -0.80 -5.03 118.70 116.91 1pk0 s GLU 539 Ca -0.33 1.90 0.02 0.00 0.36 0.00 0.00 54.97 56.91 1pk0 s GLU 539 Cb 0.09 -2.65 -0.04 0.00 0.26 0.00 0.00 34.13 31.79 1pk0 s GLU 539 CO 0.62 -0.40 -0.07 1.03 -0.54 0.00 0.00 175.26 175.91 1pk0 s ARG 540 N -2.34 0.71 0.01 4.30 0.52 -1.26 -4.57 118.95 116.31 1pk0 s ARG 540 Ca 0.58 -1.13 -0.04 0.00 -0.52 0.00 0.00 55.73 54.63 1pk0 s ARG 540 Cb -0.32 -0.20 -0.01 0.00 0.52 0.00 0.00 34.95 34.94 1pk0 s ARG 540 CO 0.40 -0.00 0.06 0.15 0.02 0.00 0.00 175.30 175.93 1pk0 s LYS 541 N -3.06 0.39 -0.49 3.54 1.02 -0.14 -4.93 119.74 116.06 1pk0 s LYS 541 Ca 0.04 -0.47 -0.27 0.00 0.02 0.00 0.00 55.97 55.29 1pk0 s LYS 541 Cb 0.00 0.15 -0.02 0.00 -0.52 0.00 0.00 37.83 37.45 1pk0 s LYS 541 CO -0.03 -0.08 1.78 -1.25 -0.92 0.00 0.00 175.35 174.84 1pk0 s PRO 542 N -1.34 3.00 0.73 -1.68 0.04 -1.26 -2.70 135.00 131.78 1pk0 s PRO 542 Ca -0.15 0.93 -0.11 0.00 0.04 0.00 0.00 61.00 61.71 1pk0 s PRO 542 Cb -0.08 -4.27 0.03 0.00 0.04 0.00 0.00 34.50 30.21 1pk0 s PRO 542 CO 0.00 -2.27 1.10 0.34 0.04 0.00 0.00 177.00 176.21 1pk0 s ASP 543 N 6.84 5.19 0.04 6.66 2.15 0.65 -4.94 116.67 133.26 1pk0 s ASP 543 Ca 0.71 1.16 -0.21 0.00 0.43 0.00 0.00 52.55 54.64 1pk0 s ASP 543 Cb -0.16 -1.93 -0.10 0.00 -0.30 0.00 0.00 42.92 40.42 1pk0 s ASP 543 CO 0.27 -1.51 1.32 0.77 -0.17 0.00 0.00 175.17 175.85 1pk0 h SER 544 N -0.77 -0.77 -0.00 -0.34 4.64 -1.94 -3.33 113.55 111.04 1pk0 h SER 544 Ca -0.45 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1pk0 h SER 544 Cb 1.26 0.24 0.00 0.00 -0.31 0.00 0.00 62.40 63.59 1pk0 h SER 544 CO 0.63 -0.40 -0.18 0.35 -0.87 0.00 0.00 176.83 176.36 1pk0 n THR 545 N -4.11 0.00 0.13 2.95 -2.24 -1.26 -4.50 114.28 105.25 1pk0 n THR 545 Ca -0.07 -0.41 0.08 0.00 -2.27 0.00 0.00 64.05 61.38 1pk0 n THR 545 Cb 0.27 1.08 0.25 0.00 -2.10 0.00 0.00 70.33 69.84 1pk0 n THR 545 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1pk0 n LYS 546 N -0.40 2.57 0.00 -0.78 5.02 -1.26 -4.60 118.16 118.71 1pk0 n LYS 546 Ca 0.03 -2.04 0.00 0.00 -2.02 0.00 0.00 58.31 54.28 1pk0 n LYS 546 Cb 0.16 -1.55 0.00 0.00 -0.02 0.00 0.00 35.03 33.62 1pk0 n LYS 546 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pk0 n GLY 547 N 1.20 0.71 3.50 0.72 0.00 -1.25 -1.83 105.19 108.24 1pk0 n GLY 547 Ca 0.19 -0.78 -0.43 0.00 0.00 0.00 0.00 46.02 44.99 1pk0 n GLY 547 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pk0 s THR 548 N 0.00 4.95 0.25 2.61 2.01 -1.26 -0.25 115.64 123.94 1pk0 s THR 548 Ca 0.00 -0.15 -0.02 0.00 0.31 0.00 0.00 61.69 61.83 1pk0 s THR 548 Cb 0.00 -4.14 -0.03 0.00 0.01 0.00 0.00 72.50 68.34 1pk0 s THR 548 CO 0.00 -0.54 0.27 -1.48 -0.69 0.00 0.00 174.62 172.18 1pk0 s LEU 549 N 2.50 1.09 0.00 4.42 0.05 -1.10 -4.46 118.68 121.19 1pk0 s LEU 549 Ca 0.17 -1.39 0.00 0.00 0.05 0.00 0.00 54.13 52.97 1pk0 s LEU 549 Cb -0.16 0.81 0.06 0.00 -2.05 0.00 0.00 46.19 44.86 1pk0 s LEU 549 CO 0.16 -1.00 0.45 -1.54 -0.55 0.00 0.00 176.35 173.87 1pk0 n SER 550 N -0.69 0.65 0.06 1.48 3.41 -1.26 -0.97 113.62 116.30 1pk0 n SER 550 Ca 0.02 -1.54 -0.21 0.00 -0.26 0.00 0.00 58.87 56.88 1pk0 n SER 550 Cb 0.64 -0.29 -0.15 0.00 -0.26 0.00 0.00 64.21 64.16 1pk0 n SER 550 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1pk0 h ASN 551 N -0.24 0.51 -0.63 4.04 2.35 -1.92 -2.55 115.58 117.14 1pk0 h ASN 551 Ca -0.15 -0.92 -0.03 0.00 -0.55 0.00 0.00 56.30 54.65 1pk0 h ASN 551 Cb 0.56 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.73 1pk0 h ASN 551 CO 0.16 1.51 0.30 4.11 -1.65 0.00 0.00 177.43 181.86 1pk0 h TRP 552 N -0.26 0.93 -0.92 1.19 5.08 -1.95 -1.35 115.95 118.67 1pk0 h TRP 552 Ca -0.20 -0.04 0.01 0.00 1.08 0.00 0.00 58.89 59.74 1pk0 h TRP 552 Cb 1.77 -0.29 -0.05 0.00 -3.00 0.00 0.00 29.16 27.59 1pk0 h TRP 552 CO 0.17 0.69 0.61 1.96 -1.28 0.00 0.00 178.44 180.58 1pk0 h GLN 553 N 0.93 1.21 -0.66 0.12 4.20 -1.96 0.26 115.11 119.21 1pk0 h GLN 553 Ca 0.23 -0.08 0.06 0.00 0.06 0.00 0.00 58.65 58.92 1pk0 h GLN 553 Cb 0.12 -0.27 -0.06 0.00 0.30 0.00 0.00 27.48 27.57 1pk0 h GLN 553 CO -0.03 0.81 0.36 0.87 -0.67 0.00 0.00 178.83 180.17 1pk0 h LYS 554 N 1.25 0.64 0.64 1.46 1.57 -0.82 0.33 116.57 121.65 1pk0 h LYS 554 Ca 0.34 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 59.05 1pk0 h LYS 554 Cb -0.14 -0.15 0.01 0.00 0.08 0.00 0.00 32.23 32.03 1pk0 h LYS 554 CO -0.07 0.43 -0.31 1.96 -0.57 0.00 0.00 179.45 180.89 1pk0 h GLN 555 N 0.66 -0.83 -1.05 3.15 4.20 -0.78 -2.36 115.11 118.11 1pk0 h GLN 555 Ca 0.30 0.06 0.34 0.00 0.06 0.00 0.00 58.65 59.40 1pk0 h GLN 555 Cb 0.20 0.19 -0.14 0.00 0.30 0.00 0.00 27.48 28.03 1pk0 h GLN 555 CO -0.19 -0.55 0.62 1.98 -0.67 0.00 0.00 178.83 180.01 1pk0 h MET 556 N -0.95 0.28 0.57 1.46 4.05 -0.80 0.44 114.93 119.98 1pk0 h MET 556 Ca -0.09 -0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.30 1pk0 h MET 556 Cb 0.66 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.38 1pk0 h MET 556 CO 0.14 0.18 -0.44 1.25 0.23 0.00 0.00 176.91 178.28 1pk0 h LEU 557 N 0.29 -1.17 -1.25 3.39 5.85 -0.12 -2.13 115.31 120.18 1pk0 h LEU 557 Ca 0.74 0.08 0.12 0.00 0.84 0.00 0.00 57.88 59.66 1pk0 h LEU 557 Cb 1.80 0.37 -0.07 0.00 0.37 0.00 0.00 40.66 43.13 1pk0 h LEU 557 CO -0.56 -0.64 0.57 0.44 -0.34 0.00 0.00 178.44 177.91 1pk0 h ASP 558 N -0.99 0.73 -0.57 1.25 3.32 0.35 -0.23 116.42 120.28 1pk0 h ASP 558 Ca -0.07 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.01 1pk0 h ASP 558 Cb 0.83 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.24 1pk0 h ASP 558 CO 0.01 0.40 0.35 0.03 -1.72 0.00 0.00 179.24 178.31 1pk0 h ARG 559 N 0.79 0.77 -0.16 3.56 2.47 -0.90 0.84 114.38 121.75 1pk0 h ARG 559 Ca 0.42 -0.07 0.01 0.00 -1.26 0.00 0.00 59.98 59.09 1pk0 h ARG 559 Cb 0.54 -0.16 -0.02 0.00 -1.65 0.00 0.00 29.97 28.68 1pk0 h ARG 559 CO -0.19 0.55 0.06 -0.07 0.56 0.00 0.00 179.97 180.88 1pk0 h LEU 560 N 0.77 0.08 -1.05 3.04 3.38 -0.39 0.43 115.31 121.57 1pk0 h LEU 560 Ca 0.20 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.10 1pk0 h LEU 560 Cb -0.03 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1pk0 h LEU 560 CO -0.04 0.07 -0.21 0.78 0.09 0.00 0.00 178.44 179.13 1pk0 h ASN 561 N 0.15 0.42 0.76 -0.43 2.35 -1.16 -2.63 115.58 115.04 1pk0 h ASN 561 Ca 0.07 -0.13 -0.04 0.00 -0.55 0.00 0.00 56.30 55.65 1pk0 h ASN 561 Cb 0.03 -0.11 0.01 0.00 0.05 0.00 0.00 38.32 38.29 1pk0 h ASN 561 CO -0.06 0.65 -0.36 -0.33 -1.65 0.00 0.00 177.43 175.67 1pk0 h GLU 562 N 0.39 -0.98 -0.82 0.81 5.08 0.01 -2.56 114.58 116.52 1pk0 h GLU 562 Ca 0.06 0.07 0.15 0.00 -1.00 0.00 0.00 59.36 58.64 1pk0 h GLU 562 Cb 0.59 0.22 -0.15 0.00 0.50 0.00 0.00 28.75 29.91 1pk0 h GLU 562 CO 0.04 -0.64 -0.28 0.00 -1.00 0.00 0.00 179.01 177.14 1pk0 h ALA 563 N -0.89 0.33 0.00 3.43 0.00 0.05 0.27 119.26 122.45 1pk0 h ALA 563 Ca -0.10 0.28 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1pk0 h ALA 563 Cb 0.79 0.75 -0.00 0.00 0.00 0.00 0.00 17.79 19.33 1pk0 h ALA 563 CO 0.17 -0.51 -0.11 -0.39 0.00 0.00 0.00 179.25 178.41 1pk0 h VAL 564 N -0.04 0.32 0.00 0.00 -1.51 -1.41 -2.18 116.25 111.43 1pk0 h VAL 564 Ca 0.35 -0.73 -0.14 0.00 -1.23 0.00 0.00 66.70 64.96 1pk0 h VAL 564 Cb 0.60 1.56 -0.02 0.00 -2.13 0.00 0.00 31.29 31.29 1pk0 h VAL 564 CO -0.85 0.11 -0.65 0.11 -1.23 0.00 0.00 177.57 175.05 1pk0 h LYS 565 N 0.00 0.00 0.00 5.19 1.57 -0.08 -2.19 116.57 121.07 1pk0 h LYS 565 Ca -0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1pk0 h LYS 565 Cb 0.55 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 1pk0 h LYS 565 CO 0.01 0.65 -0.19 1.88 -0.57 0.00 0.00 179.45 181.24 1pk0 h TYR 566 N 0.00 0.00 0.00 -1.35 0.99 -0.60 -1.89 116.97 114.12 1pk0 h TYR 566 Ca -0.01 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.72 1pk0 h TYR 566 Cb 1.34 0.00 0.00 0.00 1.00 0.00 0.00 36.73 39.07 1pk0 h TYR 566 CO 0.00 0.19 -0.43 0.25 -0.00 0.00 0.00 178.16 178.16 1pk0 n THR 567 N -3.93 0.30 0.00 -2.88 -2.24 -0.99 -4.94 114.28 99.59 1pk0 n THR 567 Ca -0.02 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 1pk0 n THR 567 Cb 0.27 -0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.33 1pk0 n THR 567 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pk0 n GLY 568 N 1.38 1.40 3.57 3.38 0.00 -0.71 -5.07 105.19 109.13 1pk0 n GLY 568 Ca 0.04 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.59 1pk0 n GLY 568 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1pk0 n TYR 569 N 0.00 1.96 0.32 1.61 9.36 -0.86 -4.80 117.16 124.75 1pk0 n TYR 569 Ca 0.00 0.06 0.11 0.00 3.32 0.00 0.00 57.90 61.38 1pk0 n TYR 569 Cb 0.00 -2.64 0.18 0.00 -0.63 0.00 0.00 39.34 36.25 1pk0 n TYR 569 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 1pk0 n THR 570 N 6.69 0.46 0.21 2.97 -2.24 -1.26 -4.44 114.28 116.67 1pk0 n THR 570 Ca 0.32 -0.73 0.10 0.00 -2.27 0.00 0.00 64.05 61.47 1pk0 n THR 570 Cb 0.32 1.01 0.30 0.00 -2.10 0.00 0.00 70.33 69.85 1pk0 n THR 570 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1pk0 h GLY 571 N 4.00 0.00 0.00 3.38 0.00 -1.82 -3.49 103.07 105.13 1pk0 h GLY 571 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1pk0 h GLY 571 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1pk0 n GLY 572 N 0.70 0.11 3.83 4.60 0.00 -1.26 -4.55 105.19 108.61 1pk0 n GLY 572 Ca 0.02 -1.57 -0.33 0.00 0.00 0.00 0.00 46.02 44.14 1pk0 n GLY 572 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pk0 s ASP 573 N -4.00 6.91 -0.02 1.61 1.01 -1.26 -4.92 116.67 116.01 1pk0 s ASP 573 Ca 0.00 1.54 0.09 0.00 0.71 0.00 0.00 52.55 54.89 1pk0 s ASP 573 Cb 0.00 -2.48 -0.14 0.00 1.01 0.00 0.00 42.92 41.32 1pk0 s ASP 573 CO 0.00 -0.27 0.19 0.55 0.21 0.00 0.00 175.17 175.85 1pk0 n VAL 574 N -0.39 0.03 -4.32 -1.27 3.14 -1.26 -4.23 118.33 110.02 1pk0 n VAL 574 Ca 0.05 -0.21 -0.33 0.00 -2.96 0.00 0.00 64.34 60.89 1pk0 n VAL 574 Cb 0.53 0.24 -0.16 0.00 -1.06 0.00 0.00 33.84 33.40 1pk0 n VAL 574 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1pk0 s VAL 575 N -2.60 2.23 -0.03 1.55 1.01 -1.26 0.18 120.40 121.48 1pk0 s VAL 575 Ca -0.03 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 61.09 1pk0 s VAL 575 Cb 0.06 -1.93 0.06 0.00 0.00 0.00 0.00 36.38 34.56 1pk0 s VAL 575 CO 0.37 0.53 1.02 0.59 0.00 0.00 0.00 175.10 177.60 1pk0 n ASN 576 N 4.40 1.99 -3.58 3.32 3.02 -1.26 -4.92 115.26 118.23 1pk0 n ASN 576 Ca -0.20 -2.19 -0.08 0.00 -0.03 0.00 0.00 54.58 52.08 1pk0 n ASN 576 Cb 0.51 -0.09 -0.04 0.00 -0.61 0.00 0.00 39.78 39.55 1pk0 n ASN 576 CO 0.00 0.00 0.00 -1.38 -2.62 0.00 0.00 177.26 173.26 1pk0 s HIS 577 N -1.35 -0.27 0.25 3.10 -3.43 -1.26 -4.60 115.29 107.73 1pk0 s HIS 577 Ca 0.07 0.38 -0.03 0.00 -0.80 0.00 0.00 55.06 54.67 1pk0 s HIS 577 Cb 0.06 0.48 -0.02 0.00 -1.43 0.00 0.00 32.58 31.67 1pk0 s HIS 577 CO 0.01 -0.30 -0.18 0.41 -2.00 0.00 0.00 174.74 172.68 1pk0 n GLY 578 N 0.40 -0.62 3.98 -1.38 0.00 -0.76 -4.60 105.19 102.21 1pk0 n GLY 578 Ca -0.06 -0.01 -0.25 0.00 0.00 0.00 0.00 46.02 45.69 1pk0 n GLY 578 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pk0 s THR 579 N -0.79 2.12 0.03 2.61 -4.23 -1.26 -4.62 115.64 109.51 1pk0 s THR 579 Ca 0.04 -0.47 0.11 0.00 -1.18 0.00 0.00 61.69 60.19 1pk0 s THR 579 Cb 0.01 -2.65 -0.06 0.00 1.34 0.00 0.00 72.50 71.14 1pk0 s THR 579 CO 0.08 0.00 1.41 -0.08 -0.54 0.00 0.00 174.62 175.48 1pk0 h GLU 580 N -0.73 0.00 0.00 3.99 4.57 -0.43 -2.83 114.58 119.15 1pk0 h GLU 580 Ca -0.38 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.80 1pk0 h GLU 580 Cb 1.26 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.85 1pk0 h GLU 580 CO 0.41 0.73 0.00 1.04 -1.18 0.00 0.00 179.01 180.00 1pk0 n GLN 581 N -3.35 0.05 -0.00 1.92 1.13 -1.17 0.05 117.38 116.00 1pk0 n GLN 581 Ca 0.01 0.19 0.01 0.00 -1.94 0.00 0.00 57.00 55.26 1pk0 n GLN 581 Cb 0.80 -1.50 0.01 0.00 0.11 0.00 0.00 30.24 29.66 1pk0 n GLN 581 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1pk0 n ASP 582 N -1.21 1.33 -4.08 1.08 8.00 -1.07 -3.31 116.55 117.29 1pk0 n ASP 582 Ca 0.01 -1.26 -0.43 0.00 0.71 0.00 0.00 54.79 53.83 1pk0 n ASP 582 Cb 0.02 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 1pk0 n ASP 582 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1pk0 n ASN 583 N -0.02 5.00 0.19 -2.24 5.15 0.11 -4.76 115.26 118.68 1pk0 n ASN 583 Ca 0.01 -3.03 0.08 0.00 -0.60 0.00 0.00 54.58 51.04 1pk0 n ASN 583 Cb 0.08 -1.54 0.18 0.00 -0.53 0.00 0.00 39.78 37.97 1pk0 n ASN 583 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 1pk0 h GLU 584 N 6.32 0.00 0.12 1.20 5.08 -1.86 -3.27 114.58 122.17 1pk0 h GLU 584 Ca 0.39 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.44 1pk0 h GLU 584 Cb 0.72 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 1pk0 h GLU 584 CO 1.53 0.24 -1.57 0.93 -1.00 0.00 0.00 179.01 179.14 1pk0 h GLU 585 N 0.00 0.26 -2.05 2.33 5.08 -1.97 -3.40 114.58 114.82 1pk0 h GLU 585 Ca -0.00 -0.44 -0.57 0.00 -1.00 0.00 0.00 59.36 57.35 1pk0 h GLU 585 Cb 1.10 0.16 -0.40 0.00 0.50 0.00 0.00 28.75 30.11 1pk0 h GLU 585 CO 0.03 1.12 -0.98 1.19 -1.00 0.00 0.00 179.01 179.37 1pk0 n PHE 586 N -3.45 0.75 -2.22 4.33 3.01 -1.26 -0.65 117.46 117.97 1pk0 n PHE 586 Ca -0.18 -3.73 -0.41 0.00 1.01 0.00 0.00 57.45 54.14 1pk0 n PHE 586 Cb 1.05 -0.41 -0.03 0.00 -0.01 0.00 0.00 39.48 40.08 1pk0 n PHE 586 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 1pk0 s PRO 587 N -1.62 4.38 -0.18 -1.08 0.04 -1.23 -5.00 135.00 130.31 1pk0 s PRO 587 Ca 0.37 2.05 -0.12 0.00 0.04 0.00 0.00 61.00 63.34 1pk0 s PRO 587 Cb 0.18 -3.21 -0.05 0.00 0.04 0.00 0.00 34.50 31.46 1pk0 s PRO 587 CO -0.08 -0.28 0.20 -1.21 0.04 0.00 0.00 177.00 175.68 1pk0 s GLU 588 N 0.08 4.20 -0.66 4.56 0.41 -1.26 -4.89 118.70 121.13 1pk0 s GLU 588 Ca 0.58 -0.07 -0.08 0.00 -0.41 0.00 0.00 54.97 54.98 1pk0 s GLU 588 Cb -0.36 -3.42 0.17 0.00 -1.78 0.00 0.00 34.13 28.74 1pk0 s GLU 588 CO 0.37 0.29 0.54 0.21 -0.49 0.00 0.00 175.26 176.17 1pk0 s LYS 589 N 0.36 2.92 0.42 1.61 2.36 -1.26 -5.07 119.74 121.09 1pk0 s LYS 589 Ca 0.12 -2.33 -0.14 0.00 -2.55 0.00 0.00 55.97 51.07 1pk0 s LYS 589 Cb -0.12 -4.03 -0.08 0.00 -1.05 0.00 0.00 37.83 32.55 1pk0 s LYS 589 CO 0.01 -1.22 0.84 -0.51 1.55 0.00 0.00 175.35 176.02 1pk0 s ASP 590 N 1.69 6.65 -0.10 1.43 1.01 -1.26 -5.02 116.67 121.07 1pk0 s ASP 590 Ca 0.15 1.35 -0.12 0.00 0.71 0.00 0.00 52.55 54.64 1pk0 s ASP 590 Cb -0.18 -2.41 -0.10 0.00 1.01 0.00 0.00 42.92 41.24 1pk0 s ASP 590 CO -0.05 -0.41 0.38 0.78 0.21 0.00 0.00 175.17 176.08 1pk0 h ASN 591 N 1.43 -0.06 -3.72 0.27 2.35 -1.96 -3.39 115.58 110.50 1pk0 h ASN 591 Ca -0.47 -0.32 -0.63 0.00 -0.55 0.00 0.00 56.30 54.33 1pk0 h ASN 591 Cb 1.18 0.02 -0.15 0.00 0.05 0.00 0.00 38.32 39.42 1pk0 h ASN 591 CO 0.63 0.58 -0.23 -1.61 -1.65 0.00 0.00 177.43 175.15 1pk0 s GLU 592 N -2.13 4.01 -0.09 0.81 2.02 -1.26 -3.13 118.70 118.93 1pk0 s GLU 592 Ca -0.07 0.04 -0.04 0.00 0.02 0.00 0.00 54.97 54.92 1pk0 s GLU 592 Cb -0.01 -3.66 -0.04 0.00 0.10 0.00 0.00 34.13 30.53 1pk0 s GLU 592 CO 0.27 -0.29 0.06 0.42 0.02 0.00 0.00 175.26 175.75 1pk0 s ILE 593 N 2.08 4.82 -0.29 -1.63 -1.09 -1.22 -3.84 121.20 120.03 1pk0 s ILE 593 Ca 0.15 -0.08 -0.08 0.00 -2.23 0.00 0.00 60.65 58.41 1pk0 s ILE 593 Cb -0.16 -3.07 -0.01 0.00 -1.58 0.00 0.00 42.46 37.64 1pk0 s ILE 593 CO 0.10 0.59 0.11 0.12 -1.23 0.00 0.00 174.94 174.63 1pk0 s PHE 594 N -0.97 3.14 -0.05 3.97 5.36 -0.44 -1.40 117.98 127.59 1pk0 s PHE 594 Ca 0.15 -0.65 0.04 0.00 -0.96 0.00 0.00 56.93 55.51 1pk0 s PHE 594 Cb -0.12 -2.29 -0.03 0.00 -0.34 0.00 0.00 43.02 40.24 1pk0 s PHE 594 CO 0.04 -0.46 -0.15 0.42 -1.46 0.00 0.00 175.22 173.61 1pk0 s ILE 595 N 1.58 3.02 -0.24 3.12 1.01 0.62 0.05 121.20 130.36 1pk0 s ILE 595 Ca 0.05 -0.74 0.02 0.00 0.00 0.00 0.00 60.65 59.97 1pk0 s ILE 595 Cb -0.17 -2.18 0.06 0.00 0.01 0.00 0.00 42.46 40.19 1pk0 s ILE 595 CO 0.04 0.59 -0.07 -0.63 0.00 0.00 0.00 174.94 174.87 1pk0 s ILE 596 N -0.71 1.76 0.58 2.92 1.01 0.21 -0.52 121.20 126.44 1pk0 s ILE 596 Ca 0.11 -1.38 -0.12 0.00 0.00 0.00 0.00 60.65 59.27 1pk0 s ILE 596 Cb -0.11 -1.97 -0.05 0.00 0.01 0.00 0.00 42.46 40.34 1pk0 s ILE 596 CO 0.00 -0.08 0.99 0.54 0.00 0.00 0.00 174.94 176.39 1pk0 s ASN 597 N 1.29 6.32 0.00 3.58 2.20 -1.09 -1.41 114.94 125.83 1pk0 s ASN 597 Ca -0.07 1.39 0.00 0.00 -0.94 0.00 0.00 52.86 53.24 1pk0 s ASN 597 Cb -0.19 -2.45 0.00 0.00 -2.00 0.00 0.00 41.25 36.61 1pk0 s ASN 597 CO -0.06 -0.76 0.75 -0.81 -2.94 0.00 0.00 177.10 173.28 1pk0 n PRO 598 N -2.41 0.00 0.11 3.55 -0.04 -1.26 0.13 135.00 135.09 1pk0 n PRO 598 Ca 0.05 0.27 -0.18 0.00 -0.04 0.00 0.00 63.50 63.61 1pk0 n PRO 598 Cb 0.54 -1.69 -0.14 0.00 -0.04 0.00 0.00 33.50 32.17 1pk0 n PRO 598 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1pk0 h GLU 599 N 0.00 0.32 0.00 0.54 3.07 -1.90 -3.28 114.58 113.33 1pk0 h GLU 599 Ca 0.00 -0.55 0.00 0.00 -0.50 0.00 0.00 59.36 58.31 1pk0 h GLU 599 Cb 0.37 0.20 0.00 0.00 -0.84 0.00 0.00 28.75 28.49 1pk0 h GLU 599 CO 0.00 1.25 0.00 0.41 -1.40 0.00 0.00 179.01 179.27 1pk0 n GLY 600 N 1.58 1.30 3.91 -3.84 0.00 0.36 -4.86 105.19 103.64 1pk0 n GLY 600 Ca -0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.64 1pk0 n GLY 600 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pk0 s GLU 601 N -0.42 3.17 -0.18 1.61 2.02 -1.25 -4.85 118.70 118.81 1pk0 s GLU 601 Ca 0.00 0.09 -0.02 0.00 0.02 0.00 0.00 54.97 55.06 1pk0 s GLU 601 Cb 0.00 -2.31 -0.01 0.00 0.10 0.00 0.00 34.13 31.91 1pk0 s GLU 601 CO 0.00 -0.51 -0.08 -0.06 0.02 0.00 0.00 175.26 174.63 1pk0 s PHE 602 N -2.90 2.91 0.03 1.61 2.99 -1.26 -2.68 117.98 118.67 1pk0 s PHE 602 Ca 0.51 -0.75 0.05 0.00 0.00 0.00 0.00 56.93 56.75 1pk0 s PHE 602 Cb -0.10 -1.98 -0.02 0.00 0.00 0.00 0.00 43.02 40.91 1pk0 s PHE 602 CO 0.45 -0.35 -0.15 0.42 -0.00 0.00 0.00 175.22 175.59 1pk0 s ILE 603 N 0.89 1.22 -0.28 0.64 -1.09 0.32 -0.68 121.20 122.22 1pk0 s ILE 603 Ca -0.02 -0.93 -0.01 0.00 -2.23 0.00 0.00 60.65 57.46 1pk0 s ILE 603 Cb -0.15 -1.07 0.09 0.00 -1.58 0.00 0.00 42.46 39.75 1pk0 s ILE 603 CO 0.01 0.13 0.08 -0.22 -1.23 0.00 0.00 174.94 173.70 1pk0 s LEU 604 N -0.93 1.94 0.44 2.97 0.20 -0.56 -0.28 118.68 122.46 1pk0 s LEU 604 Ca 0.04 -1.42 -0.25 0.00 0.69 0.00 0.00 54.13 53.19 1pk0 s LEU 604 Cb -0.07 -0.80 -0.09 0.00 -0.43 0.00 0.00 46.19 44.80 1pk0 s LEU 604 CO 0.01 -0.38 1.26 0.35 -0.29 0.00 0.00 176.35 177.30 1pk0 n THR 605 N 4.90 2.70 0.04 3.68 -2.24 -0.49 -2.66 114.28 120.21 1pk0 n THR 605 Ca -0.04 -0.50 -0.13 0.00 -2.27 0.00 0.00 64.05 61.11 1pk0 n THR 605 Cb 0.43 -1.55 -0.14 0.00 -2.10 0.00 0.00 70.33 66.97 1pk0 n THR 605 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1pk0 h LYS 606 N 1.96 0.14 -2.76 -0.78 1.79 -1.82 -3.23 116.57 111.87 1pk0 h LYS 606 Ca -0.48 -0.24 -0.07 0.00 -2.18 0.00 0.00 60.65 57.68 1pk0 h LYS 606 Cb 1.30 0.09 -0.17 0.00 -1.58 0.00 0.00 32.23 31.86 1pk0 h LYS 606 CO 0.59 0.95 -0.03 0.54 -1.08 0.00 0.00 179.45 180.42 1pk0 s ASN 607 N -6.72 -0.39 0.19 0.86 4.22 -1.23 -4.34 114.94 107.54 1pk0 s ASN 607 Ca -0.06 0.20 -0.19 0.00 -2.14 0.00 0.00 52.86 50.66 1pk0 s ASN 607 Cb 0.08 0.45 0.14 0.00 1.28 0.00 0.00 41.25 43.20 1pk0 s ASN 607 CO 0.84 -0.64 1.42 1.87 -2.04 0.00 0.00 177.10 178.54 1pk0 n TRP 608 N 0.66 -0.09 -0.33 1.54 -0.00 -1.18 0.16 117.44 118.18 1pk0 n TRP 608 Ca -0.19 1.13 0.12 0.00 -0.00 0.00 0.00 57.50 58.56 1pk0 n TRP 608 Cb 0.59 -0.77 0.30 0.00 -0.00 0.00 0.00 31.31 31.43 1pk0 n TRP 608 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 177.69 178.62 1pk0 h GLU 609 N 0.00 0.64 -0.13 5.87 3.07 -1.96 -0.73 114.58 121.35 1pk0 h GLU 609 Ca 0.27 -0.04 -0.03 0.00 -0.50 0.00 0.00 59.36 59.06 1pk0 h GLU 609 Cb 0.50 -0.15 -0.00 0.00 -0.84 0.00 0.00 28.75 28.26 1pk0 h GLU 609 CO -0.90 0.43 -0.03 1.98 -1.40 0.00 0.00 179.01 179.09 1pk0 h MET 610 N 0.66 0.25 -0.80 2.33 4.05 0.11 -2.47 114.93 119.06 1pk0 h MET 610 Ca 0.55 -0.09 0.21 0.00 -0.28 0.00 0.00 59.70 60.08 1pk0 h MET 610 Cb 0.88 -0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 31.62 1pk0 h MET 610 CO -0.40 0.54 0.55 1.15 0.23 0.00 0.00 176.91 178.98 1pk0 h THR 611 N -0.06 0.65 -0.42 -0.77 2.02 0.35 0.17 112.91 114.87 1pk0 h THR 611 Ca 0.03 -0.05 -0.09 0.00 0.77 0.00 0.00 66.41 67.07 1pk0 h THR 611 Cb 0.45 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 1pk0 h THR 611 CO 0.01 0.03 -0.08 1.23 0.37 0.00 0.00 175.52 177.08 1pk0 h GLY 612 N 0.15 0.85 0.82 2.16 0.00 -0.76 -2.38 103.07 103.91 1pk0 h GLY 612 Ca 0.39 -0.69 -0.00 0.00 0.00 0.00 0.00 47.33 47.03 1pk0 h GLY 612 CO -0.06 0.63 -0.03 3.21 0.00 0.00 0.00 176.54 180.29 1pk0 h ARG 613 N 0.61 -0.07 -0.20 4.80 2.47 -0.55 -0.98 114.38 120.46 1pk0 h ARG 613 Ca 0.11 0.00 0.06 0.00 -1.26 0.00 0.00 59.98 58.89 1pk0 h ARG 613 Cb 0.60 0.02 -0.07 0.00 -1.65 0.00 0.00 29.97 28.87 1pk0 h ARG 613 CO 0.04 0.13 -0.30 0.35 0.56 0.00 0.00 179.97 180.74 1pk0 h PHE 614 N -0.26 -0.83 -0.81 3.04 3.57 -1.13 0.29 116.94 120.82 1pk0 h PHE 614 Ca -0.01 0.04 0.06 0.00 3.53 0.00 0.00 57.97 61.59 1pk0 h PHE 614 Cb 0.23 0.40 -0.05 0.00 2.79 0.00 0.00 35.95 39.31 1pk0 h PHE 614 CO -0.01 -0.38 0.53 0.82 -2.23 0.00 0.00 178.31 177.04 1pk0 h ILE 615 N -0.34 1.06 0.53 1.41 2.04 -1.33 -0.43 117.51 120.46 1pk0 h ILE 615 Ca 0.12 -0.31 -0.03 0.00 1.00 0.00 0.00 64.86 65.64 1pk0 h ILE 615 Cb 0.52 0.08 0.01 0.00 -0.74 0.00 0.00 36.82 36.69 1pk0 h ILE 615 CO -0.39 0.16 -0.26 -0.08 0.00 0.00 0.00 178.15 177.59 1pk0 h GLU 616 N 0.90 -0.69 -0.53 2.37 4.81 0.42 0.26 114.58 122.11 1pk0 h GLU 616 Ca 0.34 0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.56 1pk0 h GLU 616 Cb 0.20 0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 1pk0 h GLU 616 CO -0.12 -0.40 0.10 -0.22 -0.73 0.00 0.00 179.01 177.64 1pk0 h LYS 617 N -1.09 0.84 -0.01 1.92 3.64 -0.38 -2.46 116.57 119.03 1pk0 h LYS 617 Ca -0.07 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.12 1pk0 h LYS 617 Cb 0.61 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1pk0 h LYS 617 CO 0.12 0.78 -0.05 0.09 -2.27 0.00 0.00 179.45 178.12 1pk0 n ASN 618 N -4.26 1.96 0.00 4.20 5.03 -0.18 -4.61 115.26 117.40 1pk0 n ASN 618 Ca 0.04 -1.48 0.00 0.00 0.87 0.00 0.00 54.58 54.01 1pk0 n ASN 618 Cb 0.25 0.09 0.00 0.00 -1.02 0.00 0.00 39.78 39.10 1pk0 n ASN 618 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 1pk0 n ILE 619 N 0.56 0.00 0.06 2.41 5.41 -0.51 -4.64 119.36 122.66 1pk0 n ILE 619 Ca 0.07 0.00 0.01 0.00 1.00 0.00 0.00 62.75 63.83 1pk0 n ILE 619 Cb 0.32 -0.26 0.03 0.00 -0.71 0.00 0.00 39.64 39.02 1pk0 n ILE 619 CO 0.00 0.00 0.00 1.07 0.00 0.00 0.00 176.55 177.62 1pk0 n THR 620 N -1.55 0.94 -0.18 1.39 5.66 -0.04 -0.66 114.28 119.85 1pk0 n THR 620 Ca 0.00 0.23 0.00 0.00 -3.05 0.00 0.00 64.05 61.24 1pk0 n THR 620 Cb 0.00 -1.21 0.00 0.00 -1.55 0.00 0.00 70.33 67.57 1pk0 n THR 620 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1pk0 n GLY 621 N -1.14 2.15 2.58 1.09 0.00 -0.92 -4.80 105.19 104.14 1pk0 n GLY 621 Ca 0.01 -0.02 -0.16 0.00 0.00 0.00 0.00 46.02 45.84 1pk0 n GLY 621 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1pk0 n LYS 622 N -0.44 1.86 -3.78 1.61 3.00 0.17 -4.97 118.16 115.61 1pk0 n LYS 622 Ca 0.00 -3.69 -0.26 0.00 -0.00 0.00 0.00 58.31 54.36 1pk0 n LYS 622 Cb 0.30 -1.62 0.02 0.00 0.00 0.00 0.00 35.03 33.72 1pk0 n LYS 622 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1pk0 n ASP 623 N -0.15 -2.36 -4.03 3.14 8.00 -1.25 -4.86 116.55 115.03 1pk0 n ASP 623 Ca 0.20 -0.96 -0.15 0.00 0.71 0.00 0.00 54.79 54.59 1pk0 n ASP 623 Cb 0.74 -3.47 -0.13 0.00 -0.02 0.00 0.00 41.12 38.24 1pk0 n ASP 623 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1pk0 s TYR 624 N -3.71 0.67 0.02 1.24 1.51 -1.23 -3.36 117.35 112.51 1pk0 s TYR 624 Ca 0.17 -0.32 -0.30 0.00 -1.01 0.00 0.00 57.07 55.61 1pk0 s TYR 624 Cb -0.06 -0.41 -0.05 0.00 -0.11 0.00 0.00 41.96 41.33 1pk0 s TYR 624 CO 0.86 -0.04 1.18 -1.17 -1.11 0.00 0.00 175.55 175.27 1pk0 s LEU 625 N -0.94 4.35 -0.25 -1.29 2.96 0.25 -4.64 118.68 119.12 1pk0 s LEU 625 Ca -0.04 1.92 -0.20 0.00 -0.22 0.00 0.00 54.13 55.60 1pk0 s LEU 625 Cb -0.07 -3.57 0.07 0.00 0.50 0.00 0.00 46.19 43.12 1pk0 s LEU 625 CO 0.00 -0.48 0.65 -0.47 -1.32 0.00 0.00 176.35 174.74 1pk0 s TYR 626 N 1.38 -0.82 -0.00 5.38 5.04 -1.26 -3.50 117.35 123.57 1pk0 s TYR 626 Ca 0.57 1.85 0.01 0.00 -2.44 0.00 0.00 57.07 57.06 1pk0 s TYR 626 Cb -0.27 0.36 -0.00 0.00 0.35 0.00 0.00 41.96 42.40 1pk0 s TYR 626 CO 0.27 -0.40 -0.02 1.52 -1.34 0.00 0.00 175.55 175.58 1pk0 s TYR 627 N 0.79 0.16 -0.04 4.97 -0.85 -1.26 -5.03 117.35 116.08 1pk0 s TYR 627 Ca -0.04 -0.03 -0.03 0.00 -0.52 0.00 0.00 57.07 56.46 1pk0 s TYR 627 Cb -0.05 -0.11 -0.04 0.00 0.38 0.00 0.00 41.96 42.14 1pk0 s TYR 627 CO -0.06 -0.01 0.13 -0.59 -1.52 0.00 0.00 175.55 173.50 1pk0 s PHE 628 N 0.00 3.46 -0.27 -3.49 -0.12 -1.26 -4.92 117.98 111.38 1pk0 s PHE 628 Ca 0.00 0.35 -0.30 0.00 -0.05 0.00 0.00 56.93 56.93 1pk0 s PHE 628 Cb -0.01 -1.83 -0.13 0.00 -0.63 0.00 0.00 43.02 40.42 1pk0 s PHE 628 CO -0.00 0.63 0.98 -1.71 -0.05 0.00 0.00 175.22 175.07 1pk0 n ASN 629 N 1.36 0.66 0.11 1.98 5.15 -1.21 -4.78 115.26 118.53 1pk0 n ASN 629 Ca -0.14 0.76 0.09 0.00 -0.60 0.00 0.00 54.58 54.69 1pk0 n ASN 629 Cb 0.53 -0.57 0.42 0.00 -0.53 0.00 0.00 39.78 39.63 1pk0 n ASN 629 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1pk0 n ARG 630 N 2.32 0.11 0.11 1.20 1.74 -1.26 -1.44 116.66 119.45 1pk0 n ARG 630 Ca 0.19 0.53 0.02 0.00 -0.77 0.00 0.00 57.85 57.81 1pk0 n ARG 630 Cb -0.02 -1.80 -0.01 0.00 -1.02 0.00 0.00 32.46 29.60 1pk0 n ARG 630 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 1pk0 h SER 631 N 0.00 0.00 -2.75 0.55 0.02 -1.86 -3.46 113.55 106.05 1pk0 h SER 631 Ca 0.00 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 60.36 1pk0 h SER 631 Cb 0.11 0.00 0.16 0.00 0.14 0.00 0.00 62.40 62.80 1pk0 h SER 631 CO 0.00 0.53 -0.31 -1.22 -1.14 0.00 0.00 176.83 174.69 1pk0 n TYR 632 N -3.14 -0.34 -1.38 3.45 0.53 -0.52 -0.52 117.16 115.24 1pk0 n TYR 632 Ca -0.01 0.52 -0.13 0.00 -1.02 0.00 0.00 57.90 57.26 1pk0 n TYR 632 Cb 0.77 -2.01 -0.06 0.00 -1.03 0.00 0.00 39.34 37.01 1pk0 n TYR 632 CO 0.00 0.00 0.00 0.09 -1.02 0.00 0.00 176.86 175.93 1pk0 n ASN 633 N 0.77 -5.18 -3.86 7.72 5.03 0.64 -4.93 115.26 115.45 1pk0 n ASN 633 Ca 0.11 0.32 -0.15 0.00 0.87 0.00 0.00 54.58 55.74 1pk0 n ASN 633 Cb 0.43 -3.83 -0.09 0.00 -1.02 0.00 0.00 39.78 35.27 1pk0 n ASN 633 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1pk0 s LYS 634 N -3.02 1.44 -0.54 3.52 1.02 0.32 -5.06 119.74 117.41 1pk0 s LYS 634 Ca 0.00 -1.75 -0.20 0.00 0.02 0.00 0.00 55.97 54.04 1pk0 s LYS 634 Cb 0.00 0.31 0.07 0.00 -0.52 0.00 0.00 37.83 37.68 1pk0 s LYS 634 CO 0.00 -0.51 0.71 0.42 -0.92 0.00 0.00 175.35 175.05 1pk0 s ILE 635 N -3.86 4.76 0.04 2.17 1.01 -1.26 -4.40 121.20 119.67 1pk0 s ILE 635 Ca 0.39 -0.51 -0.36 0.00 0.00 0.00 0.00 60.65 60.16 1pk0 s ILE 635 Cb 0.05 -4.40 -0.15 0.00 0.01 0.00 0.00 42.46 37.96 1pk0 s ILE 635 CO 0.18 -0.97 1.49 0.00 0.00 0.00 0.00 174.94 175.64 1pk0 n ALA 636 N 6.48 -0.15 -0.17 9.38 0.00 0.38 -4.84 120.51 131.59 1pk0 n ALA 636 Ca -0.06 0.47 -0.05 0.00 0.00 0.00 0.00 53.44 53.80 1pk0 n ALA 636 Cb 0.45 -2.20 0.05 0.00 0.00 0.00 0.00 19.45 17.75 1pk0 n ALA 636 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1pk0 h PRO 637 N 5.59 0.53 0.78 0.00 0.11 -1.77 0.19 132.00 137.43 1pk0 h PRO 637 Ca -0.47 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 1pk0 h PRO 637 Cb 1.31 -0.12 0.01 0.00 0.11 0.00 0.00 31.00 32.31 1pk0 h PRO 637 CO 0.84 0.35 -0.38 0.78 -0.21 0.00 0.00 178.00 179.39 1pk0 h GLY 638 N 0.54 -1.10 -1.02 -0.55 0.00 -1.17 -3.35 103.07 96.42 1pk0 h GLY 638 Ca 0.22 0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.96 1pk0 h GLY 638 CO -0.14 -0.40 0.00 1.16 0.00 0.00 0.00 176.54 177.16 1pk0 n ASN 639 N -5.49 2.93 -1.58 0.19 2.04 -1.01 -4.97 115.26 107.37 1pk0 n ASN 639 Ca -0.14 -2.31 -0.17 0.00 -0.44 0.00 0.00 54.58 51.53 1pk0 n ASN 639 Cb 0.42 -0.27 -0.06 0.00 -2.53 0.00 0.00 39.78 37.33 1pk0 n ASN 639 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 1pk0 n LYS 640 N -0.04 -1.42 -1.74 -3.83 4.76 0.67 -4.92 118.16 111.63 1pk0 n LYS 640 Ca 0.12 0.96 -0.35 0.00 -2.87 0.00 0.00 58.31 56.17 1pk0 n LYS 640 Cb 0.51 -5.30 0.06 0.00 -1.84 0.00 0.00 35.03 28.46 1pk0 n LYS 640 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1pk0 s ALA 641 N -2.45 2.36 -0.52 7.82 0.00 -1.23 -4.53 121.76 123.21 1pk0 s ALA 641 Ca 0.00 1.00 0.05 0.00 0.00 0.00 0.00 51.96 53.01 1pk0 s ALA 641 Cb 0.00 -3.48 0.20 0.00 0.00 0.00 0.00 23.12 19.84 1pk0 s ALA 641 CO 0.00 -1.51 0.48 0.98 0.00 0.00 0.00 175.76 175.70 1pk0 n TYR 642 N -2.08 0.95 -3.06 0.00 9.36 -1.26 -0.47 117.16 120.59 1pk0 n TYR 642 Ca 0.14 -3.75 -0.40 0.00 3.32 0.00 0.00 57.90 57.21 1pk0 n TYR 642 Cb 0.50 -0.21 -0.05 0.00 -0.63 0.00 0.00 39.34 38.94 1pk0 n TYR 642 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 1pk0 s ILE 643 N -0.96 4.98 0.20 2.97 1.09 -1.26 -4.89 121.20 123.33 1pk0 s ILE 643 Ca 0.32 1.28 -0.10 0.00 -1.10 0.00 0.00 60.65 61.06 1pk0 s ILE 643 Cb 0.06 -3.99 -0.07 0.00 -1.06 0.00 0.00 42.46 37.40 1pk0 s ILE 643 CO -0.15 0.07 0.52 -1.61 -0.10 0.00 0.00 174.94 173.67 1pk0 s GLU 644 N 2.10 3.80 -0.02 2.79 2.02 -1.26 -0.26 118.70 127.87 1pk0 s GLU 644 Ca 0.30 0.25 -0.16 0.00 0.02 0.00 0.00 54.97 55.39 1pk0 s GLU 644 Cb -0.16 -2.73 0.03 0.00 0.10 0.00 0.00 34.13 31.37 1pk0 s GLU 644 CO 0.10 0.37 0.33 -0.46 0.02 0.00 0.00 175.26 175.62 1pk0 s TRP 645 N -1.72 -0.20 -0.29 1.61 -0.11 -1.26 -4.87 118.94 112.08 1pk0 s TRP 645 Ca 0.44 0.30 -0.29 0.00 1.22 0.00 0.00 56.10 57.78 1pk0 s TRP 645 Cb -0.12 0.11 -0.00 0.00 -1.50 0.00 0.00 33.47 31.96 1pk0 s TRP 645 CO 0.21 -0.40 1.33 0.99 -4.62 0.00 0.00 176.95 174.46 1pk0 s THR 646 N -1.32 4.10 -0.52 5.86 2.01 -1.26 -4.86 115.64 119.64 1pk0 s THR 646 Ca -0.13 1.23 0.01 0.00 0.31 0.00 0.00 61.69 63.11 1pk0 s THR 646 Cb -0.05 -4.12 0.14 0.00 0.01 0.00 0.00 72.50 68.48 1pk0 s THR 646 CO 0.05 -0.46 0.29 -0.62 -0.69 0.00 0.00 174.62 173.19 1pk0 s ASP 647 N 2.94 4.81 0.19 3.53 3.68 -1.26 -4.99 116.67 125.58 1pk0 s ASP 647 Ca 0.58 -2.74 -0.07 0.00 2.13 0.00 0.00 52.55 52.44 1pk0 s ASP 647 Cb -0.17 -1.74 0.30 0.00 -1.45 0.00 0.00 42.92 39.86 1pk0 s ASP 647 CO 0.24 -0.33 1.13 -2.65 0.13 0.00 0.00 175.17 173.68 1pk0 n PRO 648 N 3.55 -0.09 -0.31 4.34 -0.02 -1.26 0.28 135.00 141.49 1pk0 n PRO 648 Ca 0.05 1.12 0.11 0.00 -2.02 0.00 0.00 63.50 62.76 1pk0 n PRO 648 Cb 0.36 -1.68 0.24 0.00 -0.02 0.00 0.00 33.50 32.41 1pk0 n PRO 648 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1pk0 h ILE 649 N 0.00 0.16 -0.01 4.25 2.04 -1.98 0.24 117.51 122.20 1pk0 h ILE 649 Ca 0.33 -0.02 -0.04 0.00 1.00 0.00 0.00 64.86 66.13 1pk0 h ILE 649 Cb 0.51 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.68 1pk0 h ILE 649 CO -0.74 0.01 -0.13 0.74 0.00 0.00 0.00 178.15 178.03 1pk0 h THR 650 N 0.06 1.53 0.00 -0.27 2.02 -0.60 -2.52 112.91 113.13 1pk0 h THR 650 Ca 0.53 -1.76 0.00 0.00 0.77 0.00 0.00 66.41 65.95 1pk0 h THR 650 Cb 1.03 2.64 0.00 0.00 -1.74 0.00 0.00 68.15 70.08 1pk0 h THR 650 CO -0.82 0.47 0.06 1.17 0.37 0.00 0.00 175.52 176.78 1pk0 n LYS 651 N -4.62 0.00 0.00 6.66 4.81 -0.02 -0.03 118.16 124.97 1pk0 n LYS 651 Ca -0.09 0.08 0.00 0.00 -0.87 0.00 0.00 58.31 57.43 1pk0 n LYS 651 Cb 0.42 -1.56 0.00 0.00 0.02 0.00 0.00 35.03 33.91 1pk0 n LYS 651 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1pk0 n ALA 652 N -0.93 0.88 0.99 3.14 0.00 -0.66 -4.76 120.51 119.17 1pk0 n ALA 652 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1pk0 n ALA 652 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.51 1pk0 n ALA 652 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1pk0 n LYS 653 N -0.09 0.80 -0.08 0.00 2.85 0.96 -2.37 118.16 120.23 1pk0 n LYS 653 Ca 0.00 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.13 1pk0 n LYS 653 Cb 0.12 -1.30 -0.15 0.00 -0.65 0.00 0.00 35.03 33.05 1pk0 n LYS 653 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1pk0 n ILE 654 N -0.04 1.49 -1.12 0.58 5.41 -1.26 -4.13 119.36 120.29 1pk0 n ILE 654 Ca 0.00 -0.77 -0.03 0.00 1.00 0.00 0.00 62.75 62.95 1pk0 n ILE 654 Cb 0.15 -0.90 0.27 0.00 -0.71 0.00 0.00 39.64 38.46 1pk0 n ILE 654 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1pk0 n ASN 655 N -2.99 4.18 -4.12 4.38 5.03 -1.00 -4.37 115.26 116.38 1pk0 n ASN 655 Ca -0.33 -3.29 -0.25 0.00 0.87 0.00 0.00 54.58 51.58 1pk0 n ASN 655 Cb 1.09 -0.69 -0.16 0.00 -1.02 0.00 0.00 39.78 39.01 1pk0 n ASN 655 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1pk0 s THR 656 N -3.02 1.30 0.26 3.41 2.01 -1.22 -4.06 115.64 114.32 1pk0 s THR 656 Ca 0.51 -0.66 -0.29 0.00 0.31 0.00 0.00 61.69 61.55 1pk0 s THR 656 Cb 0.42 -1.11 -0.09 0.00 0.01 0.00 0.00 72.50 71.72 1pk0 s THR 656 CO 0.10 0.38 0.98 -0.63 -0.69 0.00 0.00 174.62 174.76 1pk0 s ILE 657 N -0.06 3.93 0.58 1.82 1.01 -1.26 -4.75 121.20 122.47 1pk0 s ILE 657 Ca -0.01 1.90 -0.18 0.00 0.00 0.00 0.00 60.65 62.36 1pk0 s ILE 657 Cb -0.10 -4.19 -0.04 0.00 0.01 0.00 0.00 42.46 38.14 1pk0 s ILE 657 CO 0.01 0.42 1.15 -2.16 0.00 0.00 0.00 174.94 174.36 1pk0 s PRO 658 N -1.35 3.12 0.49 2.79 0.04 -1.26 -5.03 135.00 133.80 1pk0 s PRO 658 Ca 0.43 1.62 -0.16 0.00 0.04 0.00 0.00 61.00 62.93 1pk0 s PRO 658 Cb -0.27 -1.97 -0.08 0.00 0.04 0.00 0.00 34.50 32.22 1pk0 s PRO 658 CO 0.33 -1.04 0.95 0.99 0.04 0.00 0.00 177.00 178.28 1pk0 s THR 659 N -1.84 4.56 0.29 1.26 2.01 -1.20 -4.91 115.64 115.80 1pk0 s THR 659 Ca 0.73 1.15 0.03 0.00 0.31 0.00 0.00 61.69 63.91 1pk0 s THR 659 Cb -0.25 -3.72 0.28 0.00 0.01 0.00 0.00 72.50 68.83 1pk0 s THR 659 CO 0.32 -0.65 1.78 -1.28 -0.69 0.00 0.00 174.62 174.10 1pk0 h SER 660 N 1.02 0.75 -0.01 3.53 0.87 -1.81 -1.02 113.55 116.88 1pk0 h SER 660 Ca -0.47 0.09 -0.03 0.00 -1.23 0.00 0.00 61.79 60.15 1pk0 h SER 660 Cb 1.18 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.10 1pk0 h SER 660 CO 0.62 0.31 -0.10 0.00 -0.53 0.00 0.00 176.83 177.12 1pk0 h ALA 661 N 1.60 0.03 0.00 6.23 0.00 -1.93 -1.18 119.26 124.01 1pk0 h ALA 661 Ca 0.53 -0.39 -0.20 0.00 0.00 0.00 0.00 54.91 54.85 1pk0 h ALA 661 Cb 0.75 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1pk0 h ALA 661 CO -0.35 -0.04 1.14 -1.91 0.00 0.00 0.00 179.25 178.09 1pk0 n GLU 662 N -4.65 1.38 0.07 0.00 2.13 -0.41 -1.22 120.64 117.94 1pk0 n GLU 662 Ca -0.09 -0.88 0.00 0.00 0.66 0.00 0.00 57.16 56.85 1pk0 n GLU 662 Cb 0.41 -2.05 0.00 0.00 0.27 0.00 0.00 31.44 30.07 1pk0 n GLU 662 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1pk0 n PHE 663 N 3.46 -2.66 0.12 4.31 7.35 -1.04 -3.27 117.46 125.72 1pk0 n PHE 663 Ca 0.29 0.50 0.03 0.00 -0.76 0.00 0.00 57.45 57.52 1pk0 n PHE 663 Cb 0.30 1.49 0.42 0.00 0.35 0.00 0.00 39.48 42.03 1pk0 n PHE 663 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 1pk0 h ILE 664 N 0.00 1.15 -0.24 -2.13 2.04 -0.47 -0.33 117.51 117.53 1pk0 h ILE 664 Ca 0.00 -0.61 -0.17 0.00 1.00 0.00 0.00 64.86 65.08 1pk0 h ILE 664 Cb 0.00 1.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.17 1pk0 h ILE 664 CO 0.00 0.20 -0.52 0.11 0.00 0.00 0.00 178.15 177.93 1pk0 h LYS 665 N 0.25 0.77 -0.26 2.37 1.57 -1.42 -3.10 116.57 116.75 1pk0 h LYS 665 Ca 0.06 -0.52 0.01 0.00 -1.87 0.00 0.00 60.65 58.33 1pk0 h LYS 665 Cb 0.27 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1pk0 h LYS 665 CO 0.01 1.14 0.17 -0.91 -0.57 0.00 0.00 179.45 179.29 1pk0 h ASN 666 N 0.51 0.28 -0.22 0.86 4.21 -1.53 -0.67 115.58 119.03 1pk0 h ASN 666 Ca 0.00 -0.00 0.06 0.00 1.21 0.00 0.00 56.30 57.57 1pk0 h ASN 666 Cb 1.14 -0.07 -0.01 0.00 -1.12 0.00 0.00 38.32 38.26 1pk0 h ASN 666 CO 0.12 0.20 0.42 -0.07 -1.29 0.00 0.00 177.43 176.81 1pk0 h LEU 667 N 0.34 0.00 0.02 1.61 3.38 -1.07 0.14 115.31 119.73 1pk0 h LEU 667 Ca 0.10 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1pk0 h LEU 667 Cb -0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1pk0 h LEU 667 CO -0.03 0.00 -0.01 -1.28 0.09 0.00 0.00 178.44 177.21 1pk0 h SER 668 N 0.00 -0.02 -0.68 -0.43 0.87 -1.06 -3.03 113.55 109.20 1pk0 h SER 668 Ca 0.10 -0.51 0.05 0.00 -1.23 0.00 0.00 61.79 60.20 1pk0 h SER 668 Cb 0.95 0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 62.87 1pk0 h SER 668 CO -0.00 0.72 0.39 -1.28 -0.53 0.00 0.00 176.83 176.13 1pk0 h SER 669 N -0.98 0.61 0.32 6.23 0.87 -0.67 0.33 113.55 120.25 1pk0 h SER 669 Ca -0.00 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 1pk0 h SER 669 Cb 0.53 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.39 1pk0 h SER 669 CO 0.00 0.40 0.00 0.00 -0.53 0.00 0.00 176.83 176.70 1pk0 n ILE 670 N -4.75 0.65 -0.00 2.23 3.06 0.33 -1.61 119.36 119.27 1pk0 n ILE 670 Ca 0.08 0.16 0.05 0.00 -2.50 0.00 0.00 62.75 60.55 1pk0 n ILE 670 Cb 0.15 -0.91 0.24 0.00 0.54 0.00 0.00 39.64 39.66 1pk0 n ILE 670 CO 0.00 0.00 0.00 -1.14 -2.50 0.00 0.00 176.55 172.91 1pk0 n ARG 671 N -1.32 3.09 0.00 9.51 0.63 0.12 -3.71 116.66 124.98 1pk0 n ARG 671 Ca 0.06 -1.92 0.12 0.00 -0.92 0.00 0.00 57.85 55.20 1pk0 n ARG 671 Cb 0.13 -1.81 0.15 0.00 0.45 0.00 0.00 32.46 31.38 1pk0 n ARG 671 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1pk0 n ARG 672 N 0.53 1.11 -2.34 -0.14 5.12 -0.64 -4.19 116.66 116.12 1pk0 n ARG 672 Ca 0.17 -0.83 -0.30 0.00 -1.93 0.00 0.00 57.85 54.96 1pk0 n ARG 672 Cb 0.73 -1.48 0.01 0.00 -1.16 0.00 0.00 32.46 30.55 1pk0 n ARG 672 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1pk0 n SER 673 N -0.22 5.37 -2.40 0.55 7.64 -1.24 -4.99 113.62 118.32 1pk0 n SER 673 Ca 0.11 -3.75 0.02 0.00 1.01 0.00 0.00 58.87 56.26 1pk0 n SER 673 Cb 0.42 -0.60 0.01 0.00 -1.01 0.00 0.00 64.21 63.03 1pk0 n SER 673 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1pk0 n SER 674 N -0.50 -0.55 -4.74 6.43 2.88 -1.26 -5.05 113.62 110.83 1pk0 n SER 674 Ca 0.43 -1.08 -0.31 0.00 -1.33 0.00 0.00 58.87 56.57 1pk0 n SER 674 Cb 0.57 0.84 -0.07 0.00 -0.75 0.00 0.00 64.21 64.80 1pk0 n SER 674 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 1pk0 s ASN 675 N -2.39 5.40 0.18 -3.46 2.47 -1.26 -5.06 114.94 110.82 1pk0 s ASN 675 Ca 0.15 0.00 -0.21 0.00 0.42 0.00 0.00 52.86 53.22 1pk0 s ASN 675 Cb -0.00 -1.44 -0.08 0.00 -1.45 0.00 0.00 41.25 38.27 1pk0 s ASN 675 CO -0.01 0.22 0.71 0.54 -3.72 0.00 0.00 177.10 174.84 1pk0 s VAL 676 N -1.27 4.54 0.00 -5.21 0.11 -1.26 -4.95 120.40 112.36 1pk0 s VAL 676 Ca 0.25 1.39 0.00 0.00 -2.93 0.00 0.00 61.98 60.69 1pk0 s VAL 676 Cb -0.12 -3.95 0.00 0.00 -1.53 0.00 0.00 36.38 30.79 1pk0 s VAL 676 CO 0.17 0.36 0.00 0.61 -3.33 0.00 0.00 175.10 172.91 1pk0 n GLY 677 N 1.15 0.06 3.09 6.54 0.00 -1.26 -5.14 105.19 109.62 1pk0 n GLY 677 Ca -0.05 0.50 -0.28 0.00 0.00 0.00 0.00 46.02 46.19 1pk0 n GLY 677 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pk0 s VAL 678 N 1.72 1.51 0.18 1.61 1.01 -1.26 -5.02 120.40 120.16 1pk0 s VAL 678 Ca 0.00 -0.68 -0.09 0.00 0.00 0.00 0.00 61.98 61.21 1pk0 s VAL 678 Cb 0.00 -1.35 0.07 0.00 0.00 0.00 0.00 36.38 35.09 1pk0 s VAL 678 CO 0.00 0.44 1.64 0.22 0.00 0.00 0.00 175.10 177.40 1pk0 h TYR 679 N 7.06 1.18 -3.87 5.22 3.20 -2.01 -3.43 116.97 124.32 1pk0 h TYR 679 Ca -0.28 -0.20 -0.48 0.00 3.14 0.00 0.00 58.73 60.92 1pk0 h TYR 679 Cb 1.20 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 39.15 1pk0 h TYR 679 CO 0.48 1.03 0.36 0.21 -1.64 0.00 0.00 178.16 178.60 1pk0 s LYS 680 N -5.04 4.57 -0.41 1.82 2.20 -1.26 -4.36 119.74 117.26 1pk0 s LYS 680 Ca -0.12 1.41 -0.17 0.00 -0.36 0.00 0.00 55.97 56.74 1pk0 s LYS 680 Cb 0.14 -2.86 0.02 0.00 -1.51 0.00 0.00 37.83 33.62 1pk0 s LYS 680 CO 0.86 0.25 0.51 -3.47 -0.36 0.00 0.00 175.35 173.14 1pk0 n ASP 681 N 0.65 -7.60 -0.17 1.43 -0.08 -1.17 -4.96 116.55 104.65 1pk0 n ASP 681 Ca 0.02 0.56 0.02 0.00 -1.51 0.00 0.00 54.79 53.88 1pk0 n ASP 681 Cb 0.49 -4.78 0.02 0.00 2.34 0.00 0.00 41.12 39.19 1pk0 n ASP 681 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1pk0 n SER 682 N -0.11 1.27 -4.92 1.67 7.64 -1.26 -4.92 113.62 112.99 1pk0 n SER 682 Ca 0.07 -1.13 -0.26 0.00 1.01 0.00 0.00 58.87 58.56 1pk0 n SER 682 Cb 0.43 0.12 0.01 0.00 -1.01 0.00 0.00 64.21 63.76 1pk0 n SER 682 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1pk0 s GLY 683 N -0.53 1.52 0.11 0.23 0.00 -1.26 -5.01 107.32 102.39 1pk0 s GLY 683 Ca 0.05 -0.69 -0.08 0.00 0.00 0.00 0.00 44.72 44.00 1pk0 s GLY 683 CO 0.08 -0.50 1.27 -1.80 0.00 0.00 0.00 173.10 172.15 1pk0 h ASP 684 N 0.20 0.69 -3.95 1.64 1.82 -1.96 -3.45 116.42 111.40 1pk0 h ASP 684 Ca -0.47 -0.54 -0.50 0.00 -0.39 0.00 0.00 57.03 55.13 1pk0 h ASP 684 Cb 1.23 -0.21 0.05 0.00 0.68 0.00 0.00 39.33 41.08 1pk0 h ASP 684 CO 0.61 1.33 0.49 -0.54 -1.61 0.00 0.00 179.24 179.52 1pk0 s LYS 685 N -3.34 4.05 0.01 0.28 1.02 -1.26 -4.94 119.74 115.55 1pk0 s LYS 685 Ca -0.07 1.79 0.26 0.00 0.02 0.00 0.00 55.97 57.96 1pk0 s LYS 685 Cb 0.08 -2.64 0.69 0.00 -0.52 0.00 0.00 37.83 35.45 1pk0 s LYS 685 CO 0.89 -0.31 1.55 -0.25 -0.92 0.00 0.00 175.35 176.30 1pk0 n ASP 686 N 0.01 0.38 0.00 2.83 8.00 -1.26 -3.54 116.55 122.97 1pk0 n ASP 686 Ca 0.05 -0.03 0.14 0.00 0.71 0.00 0.00 54.79 55.65 1pk0 n ASP 686 Cb 0.47 0.04 0.61 0.00 -0.02 0.00 0.00 41.12 42.22 1pk0 n ASP 686 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1pk0 n GLU 687 N -1.53 0.00 -3.91 -1.24 1.02 -1.26 -4.79 120.64 108.93 1pk0 n GLU 687 Ca 0.06 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.93 1pk0 n GLU 687 Cb 0.34 -1.51 -0.17 0.00 -0.02 0.00 0.00 31.44 30.09 1pk0 n GLU 687 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1pk0 s PHE 688 N -3.00 1.47 -0.43 -0.32 5.36 -1.23 -5.07 117.98 114.76 1pk0 s PHE 688 Ca 0.14 -0.73 0.09 0.00 -0.96 0.00 0.00 56.93 55.47 1pk0 s PHE 688 Cb 0.19 -1.23 0.31 0.00 -0.34 0.00 0.00 43.02 41.96 1pk0 s PHE 688 CO 0.54 -0.51 0.71 0.00 -1.46 0.00 0.00 175.22 174.49 1pk0 n ALA 689 N 4.93 2.70 0.00 11.12 0.00 -1.26 -4.43 120.51 133.56 1pk0 n ALA 689 Ca -0.13 -3.71 0.00 0.00 0.00 0.00 0.00 53.44 49.60 1pk0 n ALA 689 Cb 0.50 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 19.09 1pk0 n ALA 689 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1pk0 n LYS 690 N 0.55 0.00 -2.69 0.00 0.00 -1.26 -3.05 118.16 111.71 1pk0 n LYS 690 Ca 0.25 0.00 -0.43 0.00 0.00 0.00 0.00 58.31 58.13 1pk0 n LYS 690 Cb 0.56 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.57 1pk0 n LYS 690 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1pk0 s LYS 691 N -0.33 3.69 0.02 1.64 1.02 -1.26 -4.95 119.74 119.56 1pk0 s LYS 691 Ca 0.00 0.46 -0.25 0.00 0.02 0.00 0.00 55.97 56.20 1pk0 s LYS 691 Cb 0.00 -3.90 -0.13 0.00 -0.52 0.00 0.00 37.83 33.29 1pk0 s LYS 691 CO 0.00 -1.27 0.65 -1.91 -0.92 0.00 0.00 175.35 171.91 1pk0 n GLU 692 N 7.48 0.00 -3.26 1.68 4.07 -1.26 -1.90 120.64 127.45 1pk0 n GLU 692 Ca 0.10 0.00 -0.16 0.00 -0.06 0.00 0.00 57.16 57.03 1pk0 n GLU 692 Cb 0.49 -0.94 0.07 0.00 -0.06 0.00 0.00 31.44 30.99 1pk0 n GLU 692 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 1pk0 n SER 693 N 1.03 -3.64 -0.01 4.31 7.64 -1.26 -4.50 113.62 117.18 1pk0 n SER 693 Ca 0.13 -0.47 -0.14 0.00 1.01 0.00 0.00 58.87 59.41 1pk0 n SER 693 Cb 0.07 -4.18 -0.08 0.00 -1.01 0.00 0.00 64.21 59.01 1pk0 n SER 693 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 1pk0 h VAL 694 N -1.83 0.07 0.00 0.44 -1.51 -1.73 -3.35 116.25 108.34 1pk0 h VAL 694 Ca -0.47 0.00 -0.20 0.00 -1.23 0.00 0.00 66.70 64.81 1pk0 h VAL 694 Cb 1.28 0.07 -0.04 0.00 -2.13 0.00 0.00 31.29 30.47 1pk0 h VAL 694 CO 0.42 0.00 -1.83 1.17 -1.23 0.00 0.00 177.57 176.10 1pk0 n LYS 695 N -5.44 1.70 -0.30 5.19 4.81 -1.26 -4.62 118.16 118.25 1pk0 n LYS 695 Ca -0.05 -0.02 0.13 0.00 -0.87 0.00 0.00 58.31 57.49 1pk0 n LYS 695 Cb 0.37 -1.32 0.28 0.00 0.02 0.00 0.00 35.03 34.38 1pk0 n LYS 695 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1pk0 h LYS 696 N 0.00 0.17 -0.94 1.64 1.57 -1.97 0.66 116.57 117.70 1pk0 h LYS 696 Ca -0.29 -0.01 0.20 0.00 -1.87 0.00 0.00 60.65 58.68 1pk0 h LYS 696 Cb 1.61 -0.04 -0.08 0.00 0.08 0.00 0.00 32.23 33.80 1pk0 h LYS 696 CO 0.02 0.11 0.61 0.82 -0.57 0.00 0.00 179.45 180.44 1pk0 h ILE 697 N 0.18 0.69 0.26 1.86 2.04 -1.82 0.55 117.51 121.27 1pk0 h ILE 697 Ca 0.55 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 66.21 1pk0 h ILE 697 Cb 1.10 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.29 1pk0 h ILE 697 CO -0.68 0.10 -0.12 0.00 0.00 0.00 0.00 178.15 177.45 1pk0 h ALA 698 N 1.62 -0.42 -0.58 1.87 0.00 0.00 -3.06 119.26 118.68 1pk0 h ALA 698 Ca 0.51 -0.08 0.10 0.00 0.00 0.00 0.00 54.91 55.44 1pk0 h ALA 698 Cb 1.07 0.13 -0.11 0.00 0.00 0.00 0.00 17.79 18.89 1pk0 h ALA 698 CO -0.24 -0.40 -0.39 0.78 0.00 0.00 0.00 179.25 179.00 1pk0 h GLY 699 N -0.85 -0.29 1.24 0.00 0.00 -0.79 0.84 103.07 103.21 1pk0 h GLY 699 Ca -0.04 0.50 0.00 0.00 0.00 0.00 0.00 47.33 47.80 1pk0 h GLY 699 CO 0.06 -0.18 0.37 -0.97 0.00 0.00 0.00 176.54 175.81 1pk0 h TYR 700 N -0.20 0.00 0.09 5.60 0.99 -0.02 1.21 116.97 124.64 1pk0 h TYR 700 Ca 0.20 0.00 -0.31 0.00 2.00 0.00 0.00 58.73 60.62 1pk0 h TYR 700 Cb 0.56 0.00 -0.02 0.00 1.00 0.00 0.00 36.73 38.27 1pk0 h TYR 700 CO -0.67 0.00 -1.64 -0.07 -0.00 0.00 0.00 178.16 175.78 1pk0 h LEU 701 N 0.00 0.29 -1.43 3.88 3.38 0.75 -3.09 115.31 119.09 1pk0 h LEU 701 Ca 0.00 -0.48 -0.03 0.00 0.09 0.00 0.00 57.88 57.46 1pk0 h LEU 701 Cb 0.74 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 1pk0 h LEU 701 CO 0.00 1.41 -0.14 -1.28 0.09 0.00 0.00 178.44 178.53 1pk0 h SER 702 N 0.05 0.00 0.30 -0.43 0.87 0.28 -2.50 113.55 112.11 1pk0 h SER 702 Ca -0.28 0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 60.01 1pk0 h SER 702 Cb 2.01 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 63.99 1pk0 h SER 702 CO 0.13 0.14 -1.16 0.44 -0.53 0.00 0.00 176.83 175.84 1pk0 h ASP 703 N 0.00 0.69 -0.05 6.23 3.45 -0.84 -3.30 116.42 122.60 1pk0 h ASP 703 Ca -0.00 -0.63 0.01 0.00 0.43 0.00 0.00 57.03 56.84 1pk0 h ASP 703 Cb 0.58 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 39.12 1pk0 h ASP 703 CO 0.02 1.45 -0.02 0.22 -1.57 0.00 0.00 179.24 179.34 1pk0 h TYR 704 N 0.22 -0.05 -2.46 4.55 3.20 -1.36 -3.23 116.97 117.84 1pk0 h TYR 704 Ca -0.15 0.00 -0.77 0.00 3.14 0.00 0.00 58.73 60.96 1pk0 h TYR 704 Cb 1.84 0.03 -0.21 0.00 1.54 0.00 0.00 36.73 39.92 1pk0 h TYR 704 CO 0.09 -0.03 1.19 0.66 -1.64 0.00 0.00 178.16 178.43 1pk0 n TYR 705 N -5.13 4.20 -4.04 -3.82 4.02 -1.14 -4.96 117.16 106.31 1pk0 n TYR 705 Ca -0.06 -3.26 -0.33 0.00 -0.01 0.00 0.00 57.90 54.24 1pk0 n TYR 705 Cb 0.06 -1.87 -0.15 0.00 -0.02 0.00 0.00 39.34 37.36 1pk0 n TYR 705 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 176.86 177.06 1pk0 s ASN 706 N 1.31 3.92 0.18 7.72 3.84 -1.22 -4.90 114.94 125.78 1pk0 s ASN 706 Ca 0.37 -0.87 0.11 0.00 0.21 0.00 0.00 52.86 52.68 1pk0 s ASN 706 Cb -0.01 -1.58 0.57 0.00 -0.55 0.00 0.00 41.25 39.68 1pk0 s ASN 706 CO -0.00 -0.09 1.28 -1.20 -2.79 0.00 0.00 177.10 174.30 1pk0 n SER 707 N 4.61 0.27 0.26 -4.21 7.64 -1.26 -1.11 113.62 119.82 1pk0 n SER 707 Ca -0.18 0.58 0.09 0.00 1.01 0.00 0.00 58.87 60.37 1pk0 n SER 707 Cb 0.47 -0.60 0.66 0.00 -1.01 0.00 0.00 64.21 63.73 1pk0 n SER 707 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pk0 h ALA 708 N 1.75 1.84 0.00 -0.43 0.00 -1.98 -2.05 119.26 118.38 1pk0 h ALA 708 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1pk0 h ALA 708 Cb 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1pk0 h ALA 708 CO 0.00 0.05 0.05 0.09 0.00 0.00 0.00 179.25 179.45 1pk0 n ASN 709 N -4.35 0.00 -0.33 0.00 4.13 -0.27 -2.81 115.26 111.62 1pk0 n ASN 709 Ca -0.03 0.33 0.00 0.00 1.68 0.00 0.00 54.58 56.57 1pk0 n ASN 709 Cb 0.13 -0.33 0.00 0.00 -1.54 0.00 0.00 39.78 38.03 1pk0 n ASN 709 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1pk0 n HIS 710 N -1.32 0.00 -0.23 3.10 1.44 -0.77 -2.35 115.22 115.09 1pk0 n HIS 710 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1pk0 n HIS 710 Cb 0.05 -0.06 0.00 0.00 0.12 0.00 0.00 29.99 30.10 1pk0 n HIS 710 CO 0.00 0.00 0.00 0.44 -2.81 0.00 0.00 176.34 173.97 1pk0 n ILE 711 N -0.14 0.00 -3.41 0.61 -5.35 -1.12 -5.06 119.36 104.89 1pk0 n ILE 711 Ca 0.00 -0.36 -0.21 0.00 -0.27 0.00 0.00 62.75 61.91 1pk0 n ILE 711 Cb 0.15 1.23 0.01 0.00 -1.74 0.00 0.00 39.64 39.29 1pk0 n ILE 711 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1pk0 s PHE 712 N -0.12 2.03 0.20 4.28 0.40 -0.99 -5.12 117.98 118.66 1pk0 s PHE 712 Ca 0.00 -0.65 -0.07 0.00 -0.60 0.00 0.00 56.93 55.62 1pk0 s PHE 712 Cb 0.00 -2.14 -0.06 0.00 0.51 0.00 0.00 43.02 41.32 1pk0 s PHE 712 CO 0.00 -0.58 0.48 -1.54 0.70 0.00 0.00 175.22 174.28 1pk0 s SER 713 N -4.37 6.54 0.18 1.36 1.04 -1.26 -4.86 113.70 112.33 1pk0 s SER 713 Ca 0.49 0.75 -0.23 0.00 0.48 0.00 0.00 55.95 57.44 1pk0 s SER 713 Cb -0.05 -2.16 0.08 0.00 0.10 0.00 0.00 66.02 63.99 1pk0 s SER 713 CO 0.30 -0.04 1.58 1.56 0.98 0.00 0.00 173.24 177.62 1pk0 h GLN 714 N 2.52 -0.20 -0.94 4.02 1.08 -1.98 1.12 115.11 120.74 1pk0 h GLN 714 Ca -0.47 0.01 0.27 0.00 -1.45 0.00 0.00 58.65 57.01 1pk0 h GLN 714 Cb 1.17 0.05 -0.14 0.00 -0.05 0.00 0.00 27.48 28.50 1pk0 h GLN 714 CO 0.70 -0.13 0.40 1.49 -0.95 0.00 0.00 178.83 180.33 1pk0 h GLU 715 N -0.21 0.28 0.46 1.46 4.57 -2.00 0.11 114.58 119.25 1pk0 h GLU 715 Ca 0.20 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.34 1pk0 h GLU 715 Cb 0.56 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.09 1pk0 h GLU 715 CO -0.66 0.19 -0.22 -0.22 -1.18 0.00 0.00 179.01 176.91 1pk0 h LYS 716 N 0.29 -0.60 -0.61 1.92 1.63 0.48 -3.13 116.57 116.56 1pk0 h LYS 716 Ca 0.63 0.04 0.06 0.00 -0.85 0.00 0.00 60.65 60.53 1pk0 h LYS 716 Cb 1.33 0.14 -0.08 0.00 -0.60 0.00 0.00 32.23 33.02 1pk0 h LYS 716 CO -0.62 -0.31 -0.40 0.87 -3.45 0.00 0.00 179.45 175.55 1pk0 h LYS 717 N -1.05 -0.05 -0.61 1.90 1.57 0.28 0.38 116.57 119.00 1pk0 h LYS 717 Ca -0.06 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 58.84 1pk0 h LYS 717 Cb 0.57 0.01 -0.12 0.00 0.08 0.00 0.00 32.23 32.77 1pk0 h LYS 717 CO 0.10 -0.03 -0.22 0.00 -0.57 0.00 0.00 179.45 178.73 1pk0 h ARG 718 N -0.05 -0.07 0.07 3.15 3.08 -1.01 0.23 114.38 119.78 1pk0 h ARG 718 Ca 0.10 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.15 1pk0 h ARG 718 Cb 0.30 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 1pk0 h ARG 718 CO -0.59 -0.04 -0.12 0.87 -1.07 0.00 0.00 179.97 179.01 1pk0 h LYS 719 N -0.07 -0.19 -1.00 0.04 1.57 -0.94 1.12 116.57 117.10 1pk0 h LYS 719 Ca 0.28 0.01 0.23 0.00 -1.87 0.00 0.00 60.65 59.30 1pk0 h LYS 719 Cb 0.50 0.04 -0.09 0.00 0.08 0.00 0.00 32.23 32.76 1pk0 h LYS 719 CO -0.66 -0.13 0.63 -0.84 -0.57 0.00 0.00 179.45 177.88 1pk0 h ILE 720 N -0.20 0.61 0.28 1.86 3.07 -0.56 -1.00 117.51 121.57 1pk0 h ILE 720 Ca -0.01 -0.18 -0.01 0.00 1.55 0.00 0.00 64.86 66.21 1pk0 h ILE 720 Cb 0.19 0.05 0.00 0.00 -0.27 0.00 0.00 36.82 36.79 1pk0 h ILE 720 CO -0.04 0.09 -0.14 0.28 -1.05 0.00 0.00 178.15 177.30 1pk0 h SER 721 N 0.51 -0.32 -0.98 2.16 0.02 -0.15 -1.65 113.55 113.14 1pk0 h SER 721 Ca 0.57 -0.18 0.34 0.00 -0.84 0.00 0.00 61.79 61.68 1pk0 h SER 721 Cb 1.25 0.08 -0.16 0.00 0.14 0.00 0.00 62.40 63.71 1pk0 h SER 721 CO -0.31 0.16 0.46 0.40 -1.14 0.00 0.00 176.83 176.40 1pk0 h ILE 722 N -0.98 0.16 0.58 3.27 2.04 0.20 0.13 117.51 122.91 1pk0 h ILE 722 Ca -0.04 -0.05 -0.03 0.00 1.00 0.00 0.00 64.86 65.74 1pk0 h ILE 722 Cb 0.48 -0.01 0.01 0.00 -0.74 0.00 0.00 36.82 36.55 1pk0 h ILE 722 CO 0.06 0.03 -0.28 0.15 0.00 0.00 0.00 178.15 178.11 1pk0 h PHE 723 N 0.16 -0.72 -1.31 1.37 3.57 -1.20 -2.31 116.94 116.48 1pk0 h PHE 723 Ca 0.74 -0.02 0.40 0.00 3.53 0.00 0.00 57.97 62.63 1pk0 h PHE 723 Cb 1.76 0.24 -0.11 0.00 2.79 0.00 0.00 35.95 40.63 1pk0 h PHE 723 CO -0.10 -0.45 0.87 0.00 -2.23 0.00 0.00 178.31 176.41 1pk0 h ARG 724 N -1.19 0.13 0.16 1.11 3.08 0.07 0.69 114.38 118.43 1pk0 h ARG 724 Ca -0.08 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 1pk0 h ARG 724 Cb 0.60 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.62 1pk0 h ARG 724 CO 0.13 0.08 -0.08 0.78 -1.07 0.00 0.00 179.97 179.82 1pk0 h GLY 725 N 0.13 -0.22 1.20 0.04 0.00 -0.79 -2.17 103.07 101.26 1pk0 h GLY 725 Ca 0.76 0.08 0.11 0.00 0.00 0.00 0.00 47.33 48.28 1pk0 h GLY 725 CO -0.31 -0.08 0.29 -2.22 0.00 0.00 0.00 176.54 174.22 1pk0 h ILE 726 N -0.71 0.82 0.32 2.60 2.04 0.66 0.18 117.51 123.42 1pk0 h ILE 726 Ca -0.02 -0.02 -0.02 0.00 1.00 0.00 0.00 64.86 65.80 1pk0 h ILE 726 Cb 0.51 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 37.35 1pk0 h ILE 726 CO 0.04 0.01 -0.15 1.56 0.00 0.00 0.00 178.15 179.60 1pk0 h GLN 727 N 0.05 -0.41 -0.80 2.37 4.20 0.27 -2.73 115.11 118.06 1pk0 h GLN 727 Ca 0.20 0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.89 1pk0 h GLN 727 Cb 0.71 0.09 -0.04 0.00 0.30 0.00 0.00 27.48 28.55 1pk0 h GLN 727 CO -0.01 -0.17 0.33 0.00 -0.67 0.00 0.00 178.83 178.31 1pk0 h ALA 728 N 0.04 1.08 0.00 3.87 0.00 -0.52 -1.23 119.26 122.49 1pk0 h ALA 728 Ca -0.04 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1pk0 h ALA 728 Cb 0.43 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1pk0 h ALA 728 CO 0.07 0.66 0.06 -0.92 0.00 0.00 0.00 179.25 179.13 1pk0 h TYR 729 N 1.16 0.00 0.00 0.00 3.20 -0.61 -1.57 116.97 119.14 1pk0 h TYR 729 Ca 0.27 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.13 1pk0 h TYR 729 Cb 0.20 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.46 1pk0 h TYR 729 CO 0.02 0.00 -0.43 -0.97 -1.64 0.00 0.00 178.16 175.14 1pk0 h ASN 730 N 0.00 0.00 0.00 -2.11 -1.24 -0.93 -2.52 115.58 108.78 1pk0 h ASN 730 Ca 0.00 -0.02 0.00 0.00 0.71 0.00 0.00 56.30 56.99 1pk0 h ASN 730 Cb 0.13 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.18 1pk0 h ASN 730 CO 0.00 0.72 0.07 -0.62 -1.29 0.00 0.00 177.43 176.31 1pk0 n GLU 731 N -4.64 0.00 -0.10 6.67 -0.58 -0.92 -1.08 120.64 119.99 1pk0 n GLU 731 Ca -0.06 0.22 -0.18 0.00 -0.42 0.00 0.00 57.16 56.71 1pk0 n GLU 731 Cb 0.22 -1.57 -0.06 0.00 -0.57 0.00 0.00 31.44 29.47 1pk0 n GLU 731 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 1pk0 n ILE 732 N -1.17 1.41 -0.33 -3.67 5.41 -0.63 -4.22 119.36 116.16 1pk0 n ILE 732 Ca 0.00 -0.12 0.24 0.00 1.00 0.00 0.00 62.75 63.88 1pk0 n ILE 732 Cb 0.07 -2.03 0.52 0.00 -0.71 0.00 0.00 39.64 37.49 1pk0 n ILE 732 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 1pk0 h GLU 733 N -0.89 0.35 0.00 0.38 4.57 -0.64 0.55 114.58 118.90 1pk0 h GLU 733 Ca -0.35 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.81 1pk0 h GLU 733 Cb 1.26 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.77 1pk0 h GLU 733 CO -0.21 0.23 0.00 -2.95 -1.18 0.00 0.00 179.01 174.90 1pk0 h ASN 734 N 0.36 0.00 -0.22 1.04 7.08 -1.50 -1.21 115.58 121.14 1pk0 h ASN 734 Ca 0.61 0.00 -0.21 0.00 -3.08 0.00 0.00 56.30 53.63 1pk0 h ASN 734 Cb 1.61 0.00 0.01 0.00 -2.08 0.00 0.00 38.32 37.86 1pk0 h ASN 734 CO -0.30 0.00 -0.67 0.58 -2.08 0.00 0.00 177.43 174.96 1pk0 h VAL 735 N 0.00 1.28 0.00 6.14 2.07 -0.07 -1.24 116.25 124.43 1pk0 h VAL 735 Ca 0.00 -1.85 -0.07 0.00 0.82 0.00 0.00 66.70 65.59 1pk0 h VAL 735 Cb 0.83 1.82 -0.01 0.00 -1.52 0.00 0.00 31.29 32.41 1pk0 h VAL 735 CO 0.00 0.60 -0.36 -0.07 0.02 0.00 0.00 177.57 177.76 1pk0 h LEU 736 N 0.59 0.00 -0.23 2.57 3.38 -1.39 -2.53 115.31 117.70 1pk0 h LEU 736 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1pk0 h LEU 736 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1pk0 h LEU 736 CO 0.14 0.36 0.00 1.17 0.09 0.00 0.00 178.44 180.20 1pk0 n LYS 737 N -3.34 0.23 -0.06 1.13 3.00 -0.46 -4.24 118.16 114.41 1pk0 n LYS 737 Ca 0.01 0.28 -0.03 0.00 -0.00 0.00 0.00 58.31 58.56 1pk0 n LYS 737 Cb 0.57 -1.82 -0.01 0.00 0.00 0.00 0.00 35.03 33.77 1pk0 n LYS 737 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.40 178.17 1pk0 h SER 738 N 0.00 0.00 -5.07 3.14 0.02 -0.80 -3.50 113.55 107.34 1pk0 h SER 738 Ca 0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 1pk0 h SER 738 Cb 0.61 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 63.03 1pk0 h SER 738 CO 0.00 0.62 0.00 -0.75 -1.14 0.00 0.00 176.83 175.57 1pk0 s LYS 739 N -2.00 1.21 -0.28 3.45 2.47 -1.14 -5.07 119.74 118.37 1pk0 s LYS 739 Ca -0.11 -0.73 -0.20 0.00 -1.56 0.00 0.00 55.97 53.37 1pk0 s LYS 739 Cb 0.02 0.50 -0.01 0.00 -1.46 0.00 0.00 37.83 36.88 1pk0 s LYS 739 CO 0.17 -0.50 0.61 -0.65 0.16 0.00 0.00 175.35 175.14 1pk0 s GLN 740 N -3.82 3.98 -0.21 4.03 1.11 -1.26 -4.63 119.66 118.85 1pk0 s GLN 740 Ca 0.05 0.36 -0.16 0.00 0.01 0.00 0.00 55.36 55.62 1pk0 s GLN 740 Cb 0.00 -3.69 -0.11 0.00 -1.01 0.00 0.00 33.01 28.20 1pk0 s GLN 740 CO -0.09 -0.49 -0.15 -0.89 0.01 0.00 0.00 175.29 173.68 1pk0 n ILE 741 N 5.30 1.50 -3.82 1.08 2.08 -1.26 -4.96 119.36 119.28 1pk0 n ILE 741 Ca -0.02 -0.06 -0.12 0.00 0.56 0.00 0.00 62.75 63.11 1pk0 n ILE 741 Cb 0.49 -2.12 -0.13 0.00 -0.75 0.00 0.00 39.64 37.14 1pk0 n ILE 741 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1pk0 s ALA 742 N -2.58 -0.35 0.22 -1.39 0.00 -1.26 -5.05 121.76 111.36 1pk0 s ALA 742 Ca -0.29 0.40 -0.08 0.00 0.00 0.00 0.00 51.96 51.99 1pk0 s ALA 742 Cb 0.08 -0.23 0.36 0.00 0.00 0.00 0.00 23.12 23.33 1pk0 s ALA 742 CO 0.46 -0.07 1.69 -1.35 0.00 0.00 0.00 175.76 176.49 1pk0 h PRO 743 N 5.94 0.22 0.00 0.00 0.11 -1.97 -1.86 132.00 134.45 1pk0 h PRO 743 Ca -0.25 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.73 1pk0 h PRO 743 Cb 1.20 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 1pk0 h PRO 743 CO 0.42 0.15 -0.53 0.93 -0.21 0.00 0.00 178.00 178.76 1pk0 h GLU 744 N 0.23 0.00 -0.04 1.05 4.39 -1.96 -3.07 114.58 115.18 1pk0 h GLU 744 Ca 0.36 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.97 1pk0 h GLU 744 Cb 0.58 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.22 1pk0 h GLU 744 CO -0.48 0.53 -0.38 1.88 -1.16 0.00 0.00 179.01 179.40 1pk0 h TYR 745 N 0.00 0.08 -0.21 4.33 -1.99 -1.71 -1.96 116.97 115.51 1pk0 h TYR 745 Ca -0.01 -0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.70 1pk0 h TYR 745 Cb 1.24 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 39.95 1pk0 h TYR 745 CO 0.00 0.45 0.10 -0.22 -0.00 0.00 0.00 178.16 178.49 1pk0 h LYS 746 N 0.06 0.30 -0.73 4.88 3.64 -1.30 -2.79 116.57 120.63 1pk0 h LYS 746 Ca 0.00 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 1pk0 h LYS 746 Cb 0.71 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.44 1pk0 h LYS 746 CO 0.05 0.31 0.39 -0.91 -2.27 0.00 0.00 179.45 177.02 1pk0 h ASN 747 N 0.21 0.92 -0.98 4.20 4.21 -1.50 -1.41 115.58 121.22 1pk0 h ASN 747 Ca 0.07 -0.10 0.15 0.00 1.21 0.00 0.00 56.30 57.63 1pk0 h ASN 747 Cb 0.11 -0.23 -0.09 0.00 -1.12 0.00 0.00 38.32 36.99 1pk0 h ASN 747 CO -0.01 0.76 0.61 0.22 -1.29 0.00 0.00 177.43 177.72 1pk0 h TYR 748 N 1.01 1.03 0.07 1.19 3.20 -1.11 0.21 116.97 122.57 1pk0 h TYR 748 Ca 0.26 0.03 -0.24 0.00 3.14 0.00 0.00 58.73 61.91 1pk0 h TYR 748 Cb 0.05 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 37.99 1pk0 h TYR 748 CO -0.00 0.34 -1.11 0.74 -1.64 0.00 0.00 178.16 176.49 1pk0 h PHE 749 N 0.84 0.34 0.00 -3.82 0.05 -1.19 -0.61 116.94 112.55 1pk0 h PHE 749 Ca 0.51 -0.24 -0.02 0.00 3.82 0.00 0.00 57.97 62.05 1pk0 h PHE 749 Cb 0.70 -0.02 -0.00 0.00 2.00 0.00 0.00 35.95 38.63 1pk0 h PHE 749 CO -0.00 1.15 -0.09 -0.56 -0.18 0.00 0.00 178.31 178.63 1pk0 h GLN 750 N 0.07 0.00 0.05 1.51 3.07 -0.19 0.88 115.11 120.50 1pk0 h GLN 750 Ca -0.09 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.65 1pk0 h GLN 750 Cb 1.83 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.39 1pk0 h GLN 750 CO 0.17 0.09 -0.02 -0.92 0.09 0.00 0.00 178.83 178.24 1pk0 h TYR 751 N 0.00 -0.06 -0.54 0.06 3.20 -0.80 -3.02 116.97 115.81 1pk0 h TYR 751 Ca -0.00 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 61.96 1pk0 h TYR 751 Cb 0.36 0.02 -0.11 0.00 1.54 0.00 0.00 36.73 38.54 1pk0 h TYR 751 CO 0.00 -0.03 -0.35 -0.07 -1.64 0.00 0.00 178.16 176.07 1pk0 h LEU 752 N -1.02 -1.21 -0.68 2.82 3.38 -0.90 0.15 115.31 117.86 1pk0 h LEU 752 Ca -0.01 0.22 0.06 0.00 0.09 0.00 0.00 57.88 58.25 1pk0 h LEU 752 Cb 0.06 0.58 -0.08 0.00 0.09 0.00 0.00 40.66 41.30 1pk0 h LEU 752 CO 0.01 -0.32 -0.40 0.29 0.09 0.00 0.00 178.44 178.11 1pk0 n LYS 753 N -5.43 -0.30 -0.17 1.13 5.02 0.29 0.26 118.16 118.96 1pk0 n LYS 753 Ca 0.03 1.32 -0.01 0.00 -2.02 0.00 0.00 58.31 57.63 1pk0 n LYS 753 Cb 0.35 -1.95 0.07 0.00 -0.02 0.00 0.00 35.03 33.48 1pk0 n LYS 753 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1pk0 h GLU 754 N 0.00 0.11 0.21 1.97 4.81 -0.90 0.39 114.58 121.17 1pk0 h GLU 754 Ca 0.11 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 1pk0 h GLU 754 Cb 0.28 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.63 1pk0 h GLU 754 CO -0.64 0.07 -0.14 0.00 -0.73 0.00 0.00 179.01 177.57 1pk0 h ARG 755 N 0.11 -0.32 -1.00 1.92 3.08 0.81 0.25 114.38 119.24 1pk0 h ARG 755 Ca 0.27 0.02 0.33 0.00 0.07 0.00 0.00 59.98 60.67 1pk0 h ARG 755 Cb 0.42 0.07 -0.18 0.00 0.08 0.00 0.00 29.97 30.36 1pk0 h ARG 755 CO -0.46 -0.21 0.21 0.82 -1.07 0.00 0.00 179.97 179.26 1pk0 h ILE 756 N -0.33 0.01 0.34 2.04 1.08 0.25 0.33 117.51 121.22 1pk0 h ILE 756 Ca -0.03 -0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.43 1pk0 h ILE 756 Cb 0.27 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.01 1pk0 h ILE 756 CO 0.02 0.00 -0.30 0.74 -0.69 0.00 0.00 178.15 177.93 1pk0 h THR 757 N 0.00 0.00 -0.59 -0.27 2.02 0.47 -1.45 112.91 113.09 1pk0 h THR 757 Ca 0.69 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.99 1pk0 h THR 757 Cb 1.61 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 67.92 1pk0 h THR 757 CO -0.87 0.00 0.01 0.78 0.37 0.00 0.00 175.52 175.81 1pk0 h ASN 758 N -0.62 -0.24 0.29 4.18 2.35 0.31 0.19 115.58 122.03 1pk0 h ASN 758 Ca -0.04 0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1pk0 h ASN 758 Cb 0.53 0.25 -0.03 0.00 0.05 0.00 0.00 38.32 39.11 1pk0 h ASN 758 CO -0.01 -0.09 -0.42 -0.61 -1.65 0.00 0.00 177.43 174.64 1pk0 h GLN 759 N 0.13 -0.74 0.23 0.81 5.75 -0.82 0.35 115.11 120.81 1pk0 h GLN 759 Ca 0.30 0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.85 1pk0 h GLN 759 Cb 0.48 0.17 -0.01 0.00 1.07 0.00 0.00 27.48 29.19 1pk0 h GLN 759 CO -0.49 -0.49 -0.24 0.28 -2.65 0.00 0.00 178.83 175.23 1pk0 h VAL 760 N -0.77 0.00 -1.36 2.39 2.07 -0.74 -0.34 116.25 117.50 1pk0 h VAL 760 Ca -0.01 0.00 0.39 0.00 0.82 0.00 0.00 66.70 67.90 1pk0 h VAL 760 Cb 0.72 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.44 1pk0 h VAL 760 CO -0.14 0.00 1.09 -0.61 0.02 0.00 0.00 177.57 177.92 1pk0 h GLN 761 N -0.47 0.00 -0.02 1.57 5.75 -0.52 0.50 115.11 121.91 1pk0 h GLN 761 Ca -0.03 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.44 1pk0 h GLN 761 Cb 0.41 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.97 1pk0 h GLN 761 CO -0.04 0.00 -0.13 1.25 -2.65 0.00 0.00 178.83 177.26 1pk0 h LEU 762 N 0.00 0.14 -1.10 -2.39 5.85 0.11 -2.67 115.31 115.26 1pk0 h LEU 762 Ca 0.64 -0.70 0.03 0.00 0.84 0.00 0.00 57.88 58.69 1pk0 h LEU 762 Cb 2.81 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 43.74 1pk0 h LEU 762 CO -0.01 0.82 0.61 -0.07 -0.34 0.00 0.00 178.44 179.45 1pk0 h LEU 763 N -0.52 1.03 -0.07 2.25 3.38 0.15 -2.24 115.31 119.29 1pk0 h LEU 763 Ca -0.01 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1pk0 h LEU 763 Cb 0.82 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 1pk0 h LEU 763 CO 0.03 0.72 0.03 -0.07 0.09 0.00 0.00 178.44 179.24 1pk0 h LEU 764 N 1.20 0.10 0.00 1.67 3.38 -1.20 -1.48 115.31 118.97 1pk0 h LEU 764 Ca 0.36 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1pk0 h LEU 764 Cb -0.05 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1pk0 h LEU 764 CO -0.10 0.19 0.00 0.35 0.09 0.00 0.00 178.44 178.98 1pk0 n THR 765 N -4.97 1.15 0.08 0.22 -2.24 -1.01 0.13 114.28 107.65 1pk0 n THR 765 Ca -0.06 0.29 -0.06 0.00 -2.27 0.00 0.00 64.05 61.94 1pk0 n THR 765 Cb 0.09 -1.08 0.08 0.00 -2.10 0.00 0.00 70.33 67.32 1pk0 n THR 765 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 1pk0 h HIS 766 N 0.00 0.30 0.00 4.78 6.17 -0.66 -3.42 115.15 122.32 1pk0 h HIS 766 Ca 0.00 -0.13 -0.04 0.00 0.71 0.00 0.00 60.37 60.91 1pk0 h HIS 766 Cb 0.20 -0.05 -0.01 0.00 2.52 0.00 0.00 27.41 30.08 1pk0 h HIS 766 CO 0.00 0.84 -1.00 1.04 0.71 0.00 0.00 177.93 179.52 1pk0 n GLN 767 N -3.80 0.06 0.00 5.26 6.02 0.24 -5.11 117.38 120.04 1pk0 n GLN 767 Ca -0.03 0.03 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1pk0 n GLN 767 Cb 0.68 -0.60 0.00 0.00 1.02 0.00 0.00 30.24 31.34 1pk0 n GLN 767 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1pk0 n LYS 768 N -3.20 0.00 0.00 -1.09 4.81 0.35 -5.11 118.16 113.92 1pk0 n LYS 768 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.39 1pk0 n LYS 768 Cb 0.47 -0.04 0.00 0.00 0.02 0.00 0.00 35.03 35.47 1pk0 n LYS 768 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1pk0 n PHE 773 N -1.48 0.00 -0.29 5.64 7.35 -1.26 -4.64 117.46 122.78 1pk0 n PHE 773 Ca 0.00 0.00 0.20 0.00 -0.76 0.00 0.00 57.45 56.89 1pk0 n PHE 773 Cb 0.00 0.00 0.50 0.00 0.35 0.00 0.00 39.48 40.33 1pk0 n PHE 773 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 1pk0 h LYS 774 N 0.00 0.42 -0.77 -4.13 1.57 -1.98 -0.09 116.57 111.57 1pk0 h LYS 774 Ca 0.00 -0.03 0.14 0.00 -1.87 0.00 0.00 60.65 58.89 1pk0 h LYS 774 Cb 0.00 -0.09 -0.14 0.00 0.08 0.00 0.00 32.23 32.08 1pk0 h LYS 774 CO 0.00 0.28 -0.30 1.37 -0.57 0.00 0.00 179.45 180.22 1pk0 h LEU 775 N 0.43 -1.09 -2.26 2.94 -0.00 -2.04 0.85 115.31 114.14 1pk0 h LEU 775 Ca 0.54 0.25 0.00 0.00 -0.00 0.00 0.00 57.88 58.67 1pk0 h LEU 775 Cb 1.32 0.60 0.00 0.00 -0.00 0.00 0.00 40.66 42.58 1pk0 h LEU 775 CO -0.25 -0.29 0.00 0.18 -0.00 0.00 0.00 178.44 178.09 1pk0 n LEU 776 N -5.48 3.38 -0.05 0.17 4.32 -0.08 -3.94 117.00 115.32 1pk0 n LEU 776 Ca 0.08 -1.71 0.01 0.00 -0.02 0.00 0.00 56.01 54.38 1pk0 n LEU 776 Cb 0.39 -0.54 -0.17 0.00 -1.62 0.00 0.00 43.42 41.48 1pk0 n LEU 776 CO -0.04 0.48 -0.94 0.00 -1.22 0.00 0.00 177.39 175.66 1pk0 n TYR 777 N 0.42 0.00 0.16 -1.77 9.36 0.29 -4.27 117.16 121.36 1pk0 n TYR 777 Ca 0.15 0.00 0.01 0.00 3.32 0.00 0.00 57.90 61.38 1pk0 n TYR 777 Cb 0.70 -0.73 0.27 0.00 -0.63 0.00 0.00 39.34 38.95 1pk0 n TYR 777 CO 0.00 0.00 0.00 0.87 0.22 0.00 0.00 176.86 177.95 1pk0 h LYS 778 N 0.00 0.01 -3.52 2.98 1.79 -1.64 -3.35 116.57 112.84 1pk0 h LYS 778 Ca -0.25 -0.00 -0.80 0.00 -2.18 0.00 0.00 60.65 57.42 1pk0 h LYS 778 Cb 1.57 0.00 -0.28 0.00 -1.58 0.00 0.00 32.23 31.94 1pk0 h LYS 778 CO 0.01 0.49 0.46 0.00 -1.08 0.00 0.00 179.45 179.33 1pk0 n GLN 779 N -3.97 3.56 -3.52 3.15 10.64 -1.26 -4.96 117.38 121.02 1pk0 n GLN 779 Ca -0.02 -4.47 -0.09 0.00 -1.83 0.00 0.00 57.00 50.60 1pk0 n GLN 779 Cb 0.50 -2.54 -0.03 0.00 -0.86 0.00 0.00 30.24 27.31 1pk0 n GLN 779 CO 0.00 0.00 0.00 -0.48 -1.83 0.00 0.00 177.06 174.75 1pk0 s LEU 780 N -1.38 -0.37 0.27 2.61 0.05 -1.26 -4.94 118.68 113.67 1pk0 s LEU 780 Ca 0.31 0.10 -0.06 0.00 0.05 0.00 0.00 54.13 54.53 1pk0 s LEU 780 Cb -0.09 1.99 -0.05 0.00 -2.05 0.00 0.00 46.19 45.98 1pk0 s LEU 780 CO -0.07 -0.56 0.54 0.21 -0.55 0.00 0.00 176.35 175.92 1pk0 s ASN 781 N -2.18 6.47 0.04 1.48 3.04 -1.26 -4.99 114.94 117.54 1pk0 s ASN 781 Ca 0.03 0.74 0.00 0.00 0.04 0.00 0.00 52.86 53.67 1pk0 s ASN 781 Cb -0.01 -2.15 0.00 0.00 -1.54 0.00 0.00 41.25 37.55 1pk0 s ASN 781 CO -0.06 -0.16 0.00 0.49 -3.04 0.00 0.00 177.10 174.32 1pk0 n PHE 782 N -0.76 -0.20 0.19 0.43 3.01 -1.26 -4.99 117.46 113.89 1pk0 n PHE 782 Ca -0.01 0.03 0.11 0.00 1.01 0.00 0.00 57.45 58.60 1pk0 n PHE 782 Cb 0.54 0.15 0.36 0.00 -0.01 0.00 0.00 39.48 40.51 1pk0 n PHE 782 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 1pk0 h THR 783 N 0.00 0.04 -1.05 4.37 1.35 -2.05 -3.40 112.91 112.17 1pk0 h THR 783 Ca 0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.84 1pk0 h THR 783 Cb 0.53 0.22 -0.21 0.00 -1.73 0.00 0.00 68.15 66.96 1pk0 h THR 783 CO 0.00 0.00 -0.42 -1.61 -0.25 0.00 0.00 175.52 173.24 1pk0 s GLU 784 N -4.17 0.66 0.00 4.72 8.01 -1.26 -5.16 118.70 121.49 1pk0 s GLU 784 Ca -0.02 0.19 0.00 0.00 0.01 0.00 0.00 54.97 55.15 1pk0 s GLU 784 Cb 0.06 0.15 0.00 0.00 -4.31 0.00 0.00 34.13 30.03 1pk0 s GLU 784 CO 0.22 -1.11 0.19 0.27 0.01 0.00 0.00 175.26 174.84 1pk0 n ASN 785 N 5.00 0.21 0.00 -0.19 0.23 -1.26 -4.56 115.26 114.69 1pk0 n ASN 785 Ca 0.07 -0.60 0.00 0.00 -0.53 0.00 0.00 54.58 53.52 1pk0 n ASN 785 Cb 0.55 -0.11 0.00 0.00 -2.08 0.00 0.00 39.78 38.14 1pk0 n ASN 785 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1pk0 n GLU 786 N 0.10 3.91 -1.20 -3.83 -0.58 -1.26 -4.96 120.64 112.81 1pk0 n GLU 786 Ca 0.00 0.00 -0.38 0.00 -0.42 0.00 0.00 57.16 56.36 1pk0 n GLU 786 Cb 0.05 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 30.89 1pk0 n GLU 786 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1pk0 n THR 787 N 0.00 2.49 0.00 2.62 -1.04 -1.26 -3.55 114.28 113.54 1pk0 n THR 787 Ca 0.00 -1.94 0.00 0.00 -2.04 0.00 0.00 64.05 60.07 1pk0 n THR 787 Cb 0.00 -2.37 0.00 0.00 -1.82 0.00 0.00 70.33 66.14 1pk0 n THR 787 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1pk0 n ASP 788 N 6.20 0.00 0.27 8.00 2.03 -1.26 -4.78 116.55 127.01 1pk0 n ASP 788 Ca 0.51 0.00 0.18 0.00 0.52 0.00 0.00 54.79 56.00 1pk0 n ASP 788 Cb 0.33 0.13 0.93 0.00 -0.72 0.00 0.00 41.12 41.79 1pk0 n ASP 788 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 1pk0 h ASN 789 N 0.00 0.00 1.27 1.67 -0.26 -1.80 0.13 115.58 116.59 1pk0 h ASN 789 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1pk0 h ASN 789 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.26 1pk0 h ASN 789 CO 0.00 0.00 -0.42 0.15 -1.06 0.00 0.00 177.43 176.10 1pk0 h PHE 790 N 0.00 0.00 -0.01 1.19 3.57 -1.87 -3.36 116.94 116.45 1pk0 h PHE 790 Ca 0.00 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 1pk0 h PHE 790 Cb 0.10 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.84 1pk0 h PHE 790 CO 0.00 0.00 -0.01 0.93 -2.23 0.00 0.00 178.31 177.00 1pk0 h GLU 791 N 0.00 0.04 -0.18 1.11 4.39 -1.04 -3.13 114.58 115.78 1pk0 h GLU 791 Ca 0.00 -0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.72 1pk0 h GLU 791 Cb 0.85 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.46 1pk0 h GLU 791 CO 0.00 0.52 -0.05 0.28 -1.16 0.00 0.00 179.01 178.60 1pk0 h VAL 792 N -0.44 0.81 -0.68 3.13 2.07 -1.71 -2.77 116.25 116.66 1pk0 h VAL 792 Ca 0.00 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.62 1pk0 h VAL 792 Cb 0.51 0.81 -0.12 0.00 -1.52 0.00 0.00 31.29 30.97 1pk0 h VAL 792 CO 0.00 0.00 -0.43 0.15 0.02 0.00 0.00 177.57 177.31 1pk0 h PHE 793 N -0.01 -1.27 -0.76 1.57 3.57 -1.71 -1.05 116.94 117.28 1pk0 h PHE 793 Ca 0.09 0.09 0.13 0.00 3.53 0.00 0.00 57.97 61.80 1pk0 h PHE 793 Cb 0.14 0.65 -0.13 0.00 2.79 0.00 0.00 35.95 39.40 1pk0 h PHE 793 CO -0.21 -0.41 -0.27 1.04 -2.23 0.00 0.00 178.31 176.23 1pk0 n GLN 794 N -5.41 -0.15 0.07 1.11 1.13 -1.04 0.45 117.38 113.54 1pk0 n GLN 794 Ca 0.03 1.18 -0.11 0.00 -1.94 0.00 0.00 57.00 56.17 1pk0 n GLN 794 Cb 0.35 -1.76 -0.01 0.00 0.11 0.00 0.00 30.24 28.93 1pk0 n GLN 794 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 1pk0 h LYS 795 N 0.00 0.33 -0.65 -1.09 1.57 -1.31 -3.32 116.57 112.10 1pk0 h LYS 795 Ca 0.30 -0.33 0.07 0.00 -1.87 0.00 0.00 60.65 58.82 1pk0 h LYS 795 Cb 0.49 0.09 -0.06 0.00 0.08 0.00 0.00 32.23 32.82 1pk0 h LYS 795 CO -0.77 1.01 0.33 0.82 -0.57 0.00 0.00 179.45 180.27 1pk0 h ILE 796 N 0.19 0.90 0.00 1.86 1.08 0.11 -2.13 117.51 119.52 1pk0 h ILE 796 Ca -0.05 -0.20 0.00 0.00 -0.39 0.00 0.00 64.86 64.21 1pk0 h ILE 796 Cb 1.47 0.26 0.00 0.00 -3.07 0.00 0.00 36.82 35.48 1pk0 h ILE 796 CO 0.14 0.11 0.00 0.16 -0.69 0.00 0.00 178.15 177.87 1pk0 h ILE 797 N 0.59 0.00 -0.01 -0.67 -0.00 -1.51 -3.51 117.51 112.39 1pk0 h ILE 797 Ca 0.30 -0.25 0.00 0.00 -0.00 0.00 0.00 64.86 64.91 1pk0 h ILE 797 Cb 0.26 1.24 0.00 0.00 -0.00 0.00 0.00 36.82 38.32 1pk0 h ILE 797 CO -0.22 0.00 0.00 0.47 -0.00 0.00 0.00 178.15 178.40