#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vkx s PRO 340 N 0.00 1.59 -0.30 1.61 0.04 -1.13 -4.28 135.00 132.53 1vkx s PRO 340 Ca 0.00 1.23 -0.21 0.00 0.04 0.00 0.00 61.00 62.05 1vkx s PRO 340 Cb 0.00 -1.82 0.20 0.00 0.04 0.00 0.00 34.50 32.92 1vkx s PRO 340 CO 0.00 -2.13 1.37 1.52 0.04 0.00 0.00 177.00 177.80 1vkx s TYR 341 N -2.81 -0.06 0.19 0.56 -0.85 -0.05 -4.87 117.35 109.47 1vkx s TYR 341 Ca 0.64 0.14 -0.30 0.00 -0.52 0.00 0.00 57.07 57.03 1vkx s TYR 341 Cb -0.19 0.31 -0.08 0.00 0.38 0.00 0.00 41.96 42.38 1vkx s TYR 341 CO 0.57 -0.03 1.06 -0.51 -1.52 0.00 0.00 175.55 175.12 1vkx s LEU 342 N 0.42 4.52 0.10 -3.49 1.43 -1.26 -0.60 118.68 119.80 1vkx s LEU 342 Ca 0.01 2.06 0.07 0.00 -1.03 0.00 0.00 54.13 55.24 1vkx s LEU 342 Cb -0.04 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.54 1vkx s LEU 342 CO -0.13 -0.14 -0.18 -1.58 0.23 0.00 0.00 176.35 174.55 1vkx s GLN 343 N -0.57 1.04 -0.54 1.70 0.74 -0.38 -4.88 119.66 116.77 1vkx s GLN 343 Ca 0.47 -1.15 -0.20 0.00 0.05 0.00 0.00 55.36 54.54 1vkx s GLN 343 Cb -0.28 -1.14 0.07 0.00 1.10 0.00 0.00 33.01 32.75 1vkx s GLN 343 CO 0.35 0.25 0.69 0.42 -0.55 0.00 0.00 175.29 176.45 1vkx s ILE 344 N -1.47 4.78 0.28 -2.34 1.01 -1.26 -0.67 121.20 121.53 1vkx s ILE 344 Ca 0.06 -0.50 0.03 0.00 0.00 0.00 0.00 60.65 60.24 1vkx s ILE 344 Cb -0.09 -4.38 0.04 0.00 0.01 0.00 0.00 42.46 38.04 1vkx s ILE 344 CO 0.04 -0.94 1.69 0.25 0.00 0.00 0.00 174.94 175.98 1vkx h LEU 345 N 9.99 0.41 -7.05 2.97 6.46 -1.26 -3.43 115.31 123.40 1vkx h LEU 345 Ca -0.28 -0.16 -0.10 0.00 -0.12 0.00 0.00 57.88 57.22 1vkx h LEU 345 Cb 1.09 -0.11 -0.28 0.00 -0.73 0.00 0.00 40.66 40.63 1vkx h LEU 345 CO 1.02 0.72 -0.38 -0.70 -0.62 0.00 0.00 178.44 178.48 1vkx s GLU 346 N -4.32 0.32 0.66 1.25 2.12 0.13 -4.90 118.70 113.96 1vkx s GLU 346 Ca -0.06 0.98 -0.11 0.00 0.36 0.00 0.00 54.97 56.14 1vkx s GLU 346 Cb 0.13 0.24 -0.02 0.00 0.26 0.00 0.00 34.13 34.75 1vkx s GLU 346 CO 0.79 -0.29 1.05 -0.65 -0.54 0.00 0.00 175.26 175.61 1vkx s GLN 347 N 2.60 3.26 0.54 4.30 -1.52 -1.26 -1.74 119.66 125.83 1vkx s GLN 347 Ca -0.00 0.77 -0.19 0.00 -1.95 0.00 0.00 55.36 53.99 1vkx s GLN 347 Cb -0.12 -2.04 -0.06 0.00 -0.22 0.00 0.00 33.01 30.56 1vkx s GLN 347 CO -0.13 -0.82 1.08 -1.25 -0.25 0.00 0.00 175.29 173.92 1vkx s PRO 348 N -5.16 3.49 0.50 2.91 0.04 -1.26 -1.94 135.00 133.57 1vkx s PRO 348 Ca 0.56 1.44 0.39 0.00 0.04 0.00 0.00 61.00 63.43 1vkx s PRO 348 Cb -0.12 -2.04 1.57 0.00 0.04 0.00 0.00 34.50 33.95 1vkx s PRO 348 CO 0.54 -0.70 1.62 -0.22 0.04 0.00 0.00 177.00 178.27 1vkx h LYS 349 N 1.15 0.03 0.00 4.56 1.63 -0.99 -3.40 116.57 119.55 1vkx h LYS 349 Ca -0.49 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.31 1vkx h LYS 349 Cb 1.24 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.86 1vkx h LYS 349 CO 0.58 0.02 0.00 0.94 -3.45 0.00 0.00 179.45 177.54 1vkx n GLN 350 N -4.35 0.00 -4.03 1.90 7.27 -1.26 -4.83 117.38 112.08 1vkx n GLN 350 Ca 0.39 0.00 -0.31 0.00 0.07 0.00 0.00 57.00 57.15 1vkx n GLN 350 Cb 1.66 0.00 -0.16 0.00 2.41 0.00 0.00 30.24 34.16 1vkx n GLN 350 CO 0.00 0.00 0.00 -0.98 0.07 0.00 0.00 177.06 176.15 1vkx s ARG 351 N 0.00 2.26 0.00 3.69 1.70 -1.26 -1.03 118.95 124.31 1vkx s ARG 351 Ca 0.00 -0.92 0.00 0.00 -0.47 0.00 0.00 55.73 54.34 1vkx s ARG 351 Cb 0.00 -2.52 0.00 0.00 -0.57 0.00 0.00 34.95 31.86 1vkx s ARG 351 CO 0.00 -0.40 0.00 0.41 -1.08 0.00 0.00 175.30 174.23 1vkx n GLY 352 N 4.63 0.08 3.35 3.88 0.00 -1.26 -5.07 105.19 110.80 1vkx n GLY 352 Ca -0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.48 1vkx n GLY 352 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1vkx s PHE 353 N -0.95 3.20 -0.26 1.61 5.36 -1.26 -4.85 117.98 120.83 1vkx s PHE 353 Ca 0.00 -1.02 -0.29 0.00 -0.96 0.00 0.00 56.93 54.66 1vkx s PHE 353 Cb 0.00 -2.33 -0.01 0.00 -0.34 0.00 0.00 43.02 40.34 1vkx s PHE 353 CO 0.00 -0.61 1.46 0.50 -1.46 0.00 0.00 175.22 175.10 1vkx s ARG 354 N 1.51 3.86 0.54 10.12 3.52 -1.26 -2.24 118.95 134.99 1vkx s ARG 354 Ca 0.02 1.47 -0.22 0.00 -0.13 0.00 0.00 55.73 56.86 1vkx s ARG 354 Cb -0.18 -3.95 -0.05 0.00 -1.56 0.00 0.00 34.95 29.20 1vkx s ARG 354 CO 0.04 -1.20 1.34 -0.06 -0.81 0.00 0.00 175.30 174.62 1vkx s PHE 355 N 4.76 2.34 -0.14 5.12 0.40 -1.26 -4.86 117.98 124.33 1vkx s PHE 355 Ca 0.64 1.39 0.02 0.00 -0.60 0.00 0.00 56.93 58.38 1vkx s PHE 355 Cb -0.21 -3.76 0.01 0.00 0.51 0.00 0.00 43.02 39.57 1vkx s PHE 355 CO 0.26 -2.77 -0.21 1.03 0.70 0.00 0.00 175.22 174.23 1vkx s ARG 356 N -2.88 2.95 0.67 0.44 1.81 -0.69 -4.87 118.95 116.38 1vkx s ARG 356 Ca 0.71 -0.83 -0.17 0.00 -1.72 0.00 0.00 55.73 53.71 1vkx s ARG 356 Cb -0.39 -2.41 -0.00 0.00 -0.45 0.00 0.00 34.95 31.69 1vkx s ARG 356 CO 0.47 -0.05 1.19 0.66 -0.68 0.00 0.00 175.30 176.89 1vkx n TYR 357 N 4.16 1.54 0.17 -0.53 4.02 -1.26 -1.72 117.16 123.54 1vkx n TYR 357 Ca -0.20 0.42 0.10 0.00 -0.01 0.00 0.00 57.90 58.21 1vkx n TYR 357 Cb 0.51 -2.21 0.54 0.00 -0.02 0.00 0.00 39.34 38.16 1vkx n TYR 357 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 176.86 175.61 1vkx h VAL 358 N 0.28 0.00 -0.59 -0.72 3.04 -1.94 -0.94 116.25 115.38 1vkx h VAL 358 Ca -0.50 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.17 1vkx h VAL 358 Cb 1.34 0.44 -0.02 0.00 -2.01 0.00 0.00 31.29 31.04 1vkx h VAL 358 CO 0.51 0.00 0.04 0.00 -1.01 0.00 0.00 177.57 177.11 1vkx n GLU 360 N 0.53 1.23 0.00 0.00 1.02 -0.36 -5.11 120.64 117.94 1vkx n GLU 360 Ca 0.29 -0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.37 1vkx n GLU 360 Cb 1.22 -1.32 0.00 0.00 -0.02 0.00 0.00 31.44 31.32 1vkx n GLU 360 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1vkx n GLY 361 N 2.00 3.80 3.94 0.62 0.00 -1.26 -5.02 105.19 109.26 1vkx n GLY 361 Ca -0.12 -1.52 -0.30 0.00 0.00 0.00 0.00 46.02 44.08 1vkx n GLY 361 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1vkx n PRO 362 N -0.93 -1.30 -4.13 1.61 -0.04 -1.26 -4.28 135.00 124.68 1vkx n PRO 362 Ca 0.00 -2.12 -0.32 0.00 -0.04 0.00 0.00 63.50 61.03 1vkx n PRO 362 Cb 0.00 -1.38 -0.05 0.00 -0.04 0.00 0.00 33.50 32.03 1vkx n PRO 362 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1vkx n SER 363 N -3.85 -0.58 0.02 3.54 7.64 -1.26 -4.84 113.62 114.28 1vkx n SER 363 Ca 0.17 -1.18 0.07 0.00 1.01 0.00 0.00 58.87 58.94 1vkx n SER 363 Cb 0.59 -2.19 -0.11 0.00 -1.01 0.00 0.00 64.21 61.49 1vkx n SER 363 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1vkx n HIS 364 N -4.57 0.41 -2.71 1.43 8.25 -1.26 -5.05 115.22 111.72 1vkx n HIS 364 Ca -0.28 0.12 0.00 0.00 -0.26 0.00 0.00 57.72 57.31 1vkx n HIS 364 Cb 0.67 -0.76 0.00 0.00 1.12 0.00 0.00 29.99 31.01 1vkx n HIS 364 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1vkx n GLY 365 N 1.31 -1.28 3.37 -1.41 0.00 -1.26 -5.17 105.19 100.75 1vkx n GLY 365 Ca -0.07 -0.89 -0.10 0.00 0.00 0.00 0.00 46.02 44.96 1vkx n GLY 365 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1vkx s GLY 366 N 0.00 -0.41 -0.36 -0.02 0.00 -1.26 -4.83 107.32 100.44 1vkx s GLY 366 Ca 0.00 1.74 -0.39 0.00 0.00 0.00 0.00 44.72 46.07 1vkx s GLY 366 CO 0.00 1.81 2.03 -0.10 0.00 0.00 0.00 173.10 176.85 1vkx n LEU 367 N 4.14 1.92 -4.87 0.66 7.94 -0.31 -4.89 117.00 121.59 1vkx n LEU 367 Ca -0.22 0.69 -0.30 0.00 -1.11 0.00 0.00 56.01 55.07 1vkx n LEU 367 Cb 0.56 -1.14 -0.02 0.00 0.53 0.00 0.00 43.42 43.35 1vkx n LEU 367 CO 0.06 -0.64 0.57 -2.16 -1.11 0.00 0.00 177.39 174.11 1vkx s PRO 368 N 5.29 3.72 1.05 1.96 0.04 -1.26 -4.55 135.00 141.25 1vkx s PRO 368 Ca 1.08 0.60 -0.18 0.00 0.04 0.00 0.00 61.00 62.54 1vkx s PRO 368 Cb -1.07 -2.25 0.24 0.00 0.04 0.00 0.00 34.50 31.47 1vkx s PRO 368 CO 0.58 -0.26 1.31 0.20 0.04 0.00 0.00 177.00 178.87 1vkx s GLY 369 N -3.60 1.78 -1.39 0.56 0.00 -1.26 -0.80 107.32 102.62 1vkx s GLY 369 Ca 0.53 -1.29 -0.12 0.00 0.00 0.00 0.00 44.72 43.85 1vkx s GLY 369 CO 0.40 -0.43 2.48 0.00 0.00 0.00 0.00 173.10 175.56 1vkx n ALA 370 N -4.07 6.04 -3.64 3.20 0.00 -0.82 -3.45 120.51 117.77 1vkx n ALA 370 Ca 0.17 -3.43 -0.14 0.00 0.00 0.00 0.00 53.44 50.04 1vkx n ALA 370 Cb 0.59 -3.41 -0.13 0.00 0.00 0.00 0.00 19.45 16.50 1vkx n ALA 370 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1vkx s SER 371 N 2.99 0.46 -0.25 0.00 0.01 -1.26 -4.97 113.70 110.69 1vkx s SER 371 Ca 0.56 0.49 -0.02 0.00 1.31 0.00 0.00 55.95 58.30 1vkx s SER 371 Cb 0.15 0.67 -0.17 0.00 0.21 0.00 0.00 66.02 66.88 1vkx s SER 371 CO -0.05 -0.25 -0.18 -1.54 0.41 0.00 0.00 173.24 171.63 1vkx n SER 372 N 5.35 1.99 -1.03 2.44 3.41 -1.26 -4.51 113.62 120.00 1vkx n SER 372 Ca -0.06 -0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 1vkx n SER 372 Cb 0.50 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 1vkx n SER 372 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1vkx n GLU 373 N -3.45 -0.31 0.00 4.33 -0.58 -1.26 -4.62 120.64 114.74 1vkx n GLU 373 Ca -0.46 -0.13 0.00 0.00 -0.42 0.00 0.00 57.16 56.15 1vkx n GLU 373 Cb 0.98 0.23 0.00 0.00 -0.57 0.00 0.00 31.44 32.08 1vkx n GLU 373 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1vkx n LYS 374 N -0.28 0.00 -0.80 3.49 4.01 -1.26 -3.49 118.16 119.83 1vkx n LYS 374 Ca 0.00 0.00 -0.42 0.00 -0.51 0.00 0.00 58.31 57.38 1vkx n LYS 374 Cb 0.00 0.00 -0.10 0.00 -0.51 0.00 0.00 35.03 34.42 1vkx n LYS 374 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 1vkx n ASN 375 N 1.08 1.48 0.00 4.39 3.02 -1.26 -4.68 115.26 119.28 1vkx n ASN 375 Ca 0.00 -2.55 0.00 0.00 -0.03 0.00 0.00 54.58 52.00 1vkx n ASN 375 Cb 0.00 -0.79 0.00 0.00 -0.61 0.00 0.00 39.78 38.38 1vkx n ASN 375 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1vkx n LYS 376 N 7.77 0.00 -0.86 3.52 4.76 -1.23 -5.17 118.16 126.95 1vkx n LYS 376 Ca 0.47 0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.69 1vkx n LYS 376 Cb 0.42 0.00 0.18 0.00 -1.84 0.00 0.00 35.03 33.80 1vkx n LYS 376 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1vkx n LYS 377 N 0.00 -2.42 -3.23 1.97 4.76 -1.26 -4.55 118.16 113.43 1vkx n LYS 377 Ca 0.00 -1.34 -0.08 0.00 -2.87 0.00 0.00 58.31 54.02 1vkx n LYS 377 Cb 0.00 -1.21 0.01 0.00 -1.84 0.00 0.00 35.03 31.99 1vkx n LYS 377 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1vkx n SER 378 N -4.31 -1.57 0.00 4.39 3.41 -1.26 -5.00 113.62 109.28 1vkx n SER 378 Ca 0.12 -2.30 0.00 0.00 -0.26 0.00 0.00 58.87 56.42 1vkx n SER 378 Cb 0.44 2.68 0.00 0.00 -0.26 0.00 0.00 64.21 67.07 1vkx n SER 378 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1vkx n TYR 379 N -0.42 0.00 -1.61 7.33 4.11 -1.26 -4.02 117.16 121.28 1vkx n TYR 379 Ca -0.05 0.00 -0.39 0.00 -0.00 0.00 0.00 57.90 57.46 1vkx n TYR 379 Cb 0.46 0.00 0.03 0.00 -0.00 0.00 0.00 39.34 39.83 1vkx n TYR 379 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.86 174.56 1vkx n PRO 380 N -0.16 1.14 -3.64 -3.48 -0.02 -1.26 -4.50 135.00 123.09 1vkx n PRO 380 Ca 0.00 0.42 -0.14 0.00 -2.02 0.00 0.00 63.50 61.76 1vkx n PRO 380 Cb 0.00 -2.12 -0.07 0.00 -0.02 0.00 0.00 33.50 31.29 1vkx n PRO 380 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 1vkx s GLN 381 N -2.40 0.82 0.33 -0.52 -2.07 -0.71 -0.83 119.66 114.27 1vkx s GLN 381 Ca 0.69 0.95 0.09 0.00 -1.82 0.00 0.00 55.36 55.28 1vkx s GLN 381 Cb -0.48 0.40 -0.06 0.00 -1.09 0.00 0.00 33.01 31.79 1vkx s GLN 381 CO 0.52 -0.10 -0.02 0.14 -1.32 0.00 0.00 175.29 174.51 1vkx s VAL 382 N 0.33 2.58 -0.14 3.63 -7.23 -1.08 0.19 120.40 118.69 1vkx s VAL 382 Ca -0.00 -2.03 -0.07 0.00 -1.81 0.00 0.00 61.98 58.06 1vkx s VAL 382 Cb -0.05 -2.75 0.06 0.00 0.56 0.00 0.00 36.38 34.20 1vkx s VAL 382 CO 0.01 -0.22 0.33 -0.75 -0.31 0.00 0.00 175.10 174.16 1vkx s LYS 383 N -3.68 0.29 1.41 4.82 2.20 0.15 0.18 119.74 125.11 1vkx s LYS 383 Ca 0.34 0.68 -0.23 0.00 -0.36 0.00 0.00 55.97 56.40 1vkx s LYS 383 Cb -0.00 -0.05 0.36 0.00 -1.51 0.00 0.00 37.83 36.63 1vkx s LYS 383 CO 0.19 -0.17 0.95 0.42 -0.36 0.00 0.00 175.35 176.37 1vkx s ILE 384 N 1.46 1.22 -0.23 5.43 1.01 -1.25 -1.25 121.20 127.58 1vkx s ILE 384 Ca -0.08 0.00 -0.18 0.00 0.00 0.00 0.00 60.65 60.39 1vkx s ILE 384 Cb -0.10 -2.13 0.06 0.00 0.01 0.00 0.00 42.46 40.31 1vkx s ILE 384 CO -0.11 0.00 0.60 0.00 0.00 0.00 0.00 174.94 175.43 1vkx n ASN 386 N 3.44 -6.06 -1.04 0.00 3.02 -1.26 -0.87 115.26 112.49 1vkx n ASN 386 Ca -0.17 -0.44 0.00 0.00 -0.03 0.00 0.00 54.58 53.94 1vkx n ASN 386 Cb 0.57 -4.74 0.00 0.00 -0.61 0.00 0.00 39.78 35.00 1vkx n ASN 386 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1vkx n TYR 387 N -4.75 -0.15 -2.74 3.10 0.18 -1.26 -2.82 117.16 108.73 1vkx n TYR 387 Ca -0.02 0.08 -0.03 0.00 1.88 0.00 0.00 57.90 59.80 1vkx n TYR 387 Cb 0.57 -0.16 0.08 0.00 -0.38 0.00 0.00 39.34 39.45 1vkx n TYR 387 CO 0.00 0.00 0.00 0.28 -2.08 0.00 0.00 176.86 175.06 1vkx n VAL 388 N -0.75 0.68 0.00 -3.48 0.31 -1.26 -4.71 118.33 109.11 1vkx n VAL 388 Ca 0.00 -2.21 0.00 0.00 -0.01 0.00 0.00 64.34 62.12 1vkx n VAL 388 Cb 0.00 1.05 0.00 0.00 -0.91 0.00 0.00 33.84 33.98 1vkx n VAL 388 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1vkx n GLY 389 N -0.75 0.58 3.75 2.92 0.00 -1.26 -4.00 105.19 106.42 1vkx n GLY 389 Ca -0.01 0.59 -0.38 0.00 0.00 0.00 0.00 46.02 46.22 1vkx n GLY 389 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1vkx s PRO 390 N 0.00 4.25 -0.05 1.61 0.04 -1.21 -2.72 135.00 136.93 1vkx s PRO 390 Ca 0.00 0.42 -0.29 0.00 0.04 0.00 0.00 61.00 61.17 1vkx s PRO 390 Cb 0.00 -3.39 0.10 0.00 0.04 0.00 0.00 34.50 31.25 1vkx s PRO 390 CO 0.00 0.28 0.84 0.00 0.04 0.00 0.00 177.00 178.16 1vkx s ALA 391 N 0.24 -1.82 -0.06 8.56 0.00 0.50 -4.36 121.76 124.82 1vkx s ALA 391 Ca 0.25 1.21 0.03 0.00 0.00 0.00 0.00 51.96 53.45 1vkx s ALA 391 Cb -0.15 0.00 -0.03 0.00 0.00 0.00 0.00 23.12 22.94 1vkx s ALA 391 CO 0.11 -0.50 -0.12 -1.59 0.00 0.00 0.00 175.76 173.65 1vkx s LYS 392 N -2.09 2.60 -0.07 0.00 -2.85 -0.87 -0.06 119.74 116.41 1vkx s LYS 392 Ca -0.01 -0.65 0.05 0.00 -1.00 0.00 0.00 55.97 54.35 1vkx s LYS 392 Cb -0.01 -2.45 -0.00 0.00 -2.06 0.00 0.00 37.83 33.31 1vkx s LYS 392 CO -0.02 0.62 -0.23 0.14 0.10 0.00 0.00 175.35 175.97 1vkx s VAL 393 N -0.71 1.90 0.04 1.79 -7.23 -0.49 -0.49 120.40 115.20 1vkx s VAL 393 Ca 0.11 -0.96 0.05 0.00 -1.81 0.00 0.00 61.98 59.37 1vkx s VAL 393 Cb -0.11 -1.63 -0.04 0.00 0.56 0.00 0.00 36.38 35.17 1vkx s VAL 393 CO 0.01 0.53 -0.08 0.27 -0.31 0.00 0.00 175.10 175.51 1vkx s ILE 394 N 0.11 3.50 -0.03 -0.62 -4.36 -0.91 -1.57 121.20 117.32 1vkx s ILE 394 Ca -0.10 -0.96 0.06 0.00 -0.26 0.00 0.00 60.65 59.39 1vkx s ILE 394 Cb -0.15 -2.55 -0.01 0.00 1.25 0.00 0.00 42.46 40.99 1vkx s ILE 394 CO 0.05 0.30 -0.22 0.54 0.24 0.00 0.00 174.94 175.86 1vkx s VAL 395 N -1.06 1.73 0.15 8.37 0.11 -0.23 -2.10 120.40 127.37 1vkx s VAL 395 Ca 0.18 -0.92 -0.10 0.00 -2.93 0.00 0.00 61.98 58.22 1vkx s VAL 395 Cb -0.11 -1.45 -0.00 0.00 -1.53 0.00 0.00 36.38 33.29 1vkx s VAL 395 CO 0.10 0.49 0.29 0.00 -3.33 0.00 0.00 175.10 172.65 1vkx s GLN 396 N -0.34 1.12 -0.27 1.54 -2.07 -1.26 -0.15 119.66 118.23 1vkx s GLN 396 Ca 0.04 -1.09 -0.16 0.00 -1.82 0.00 0.00 55.36 52.33 1vkx s GLN 396 Cb -0.10 0.39 -0.03 0.00 -1.09 0.00 0.00 33.01 32.18 1vkx s GLN 396 CO 0.01 -0.41 0.42 -0.51 -1.32 0.00 0.00 175.29 173.47 1vkx s LEU 397 N -2.93 4.06 0.00 2.60 1.43 -1.26 -0.51 118.68 122.07 1vkx s LEU 397 Ca 0.14 0.33 0.05 0.00 -1.03 0.00 0.00 54.13 53.62 1vkx s LEU 397 Cb 0.03 -2.50 0.05 0.00 0.03 0.00 0.00 46.19 43.81 1vkx s LEU 397 CO -0.03 -0.23 0.42 1.33 0.23 0.00 0.00 176.35 178.08 1vkx n VAL 398 N 5.14 0.00 0.00 -1.59 0.24 0.47 -1.61 118.33 120.98 1vkx n VAL 398 Ca -0.07 -1.72 0.00 0.00 -2.04 0.00 0.00 64.34 60.51 1vkx n VAL 398 Cb 0.50 -0.25 0.00 0.00 -1.47 0.00 0.00 33.84 32.62 1vkx n VAL 398 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1vkx n THR 399 N -1.68 0.00 -0.43 3.34 -2.24 0.26 -2.72 114.28 110.81 1vkx n THR 399 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1vkx n THR 399 Cb 0.50 -1.24 0.00 0.00 -2.10 0.00 0.00 70.33 67.49 1vkx n THR 399 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1vkx n ASN 400 N 0.00 0.00 -3.51 3.42 4.05 -1.26 -3.96 115.26 113.99 1vkx n ASN 400 Ca 0.00 -0.27 0.00 0.00 0.45 0.00 0.00 54.58 54.76 1vkx n ASN 400 Cb 0.00 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.01 1vkx n ASN 400 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1vkx n GLY 401 N 0.00 -1.57 0.18 8.20 0.00 -1.26 -4.90 105.19 105.85 1vkx n GLY 401 Ca 0.00 -1.31 -0.10 0.00 0.00 0.00 0.00 46.02 44.61 1vkx n GLY 401 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1vkx h LYS 402 N 0.00 -0.19 -6.62 1.61 3.64 -2.04 -3.44 116.57 109.54 1vkx h LYS 402 Ca 0.00 0.01 -0.65 0.00 -1.27 0.00 0.00 60.65 58.74 1vkx h LYS 402 Cb 0.00 0.04 -0.18 0.00 -0.41 0.00 0.00 32.23 31.69 1vkx h LYS 402 CO 0.00 -0.12 -0.79 0.54 -2.27 0.00 0.00 179.45 176.80 1vkx s ASN 403 N -5.05 3.75 -0.69 4.20 6.03 -1.26 -5.09 114.94 116.84 1vkx s ASN 403 Ca -0.14 -0.71 -0.27 0.00 -1.03 0.00 0.00 52.86 50.71 1vkx s ASN 403 Cb 0.09 -0.44 0.01 0.00 -3.03 0.00 0.00 41.25 37.89 1vkx s ASN 403 CO 0.67 0.13 1.47 0.27 -2.03 0.00 0.00 177.10 177.61 1vkx s ILE 404 N -1.52 3.61 0.45 0.54 -4.36 -1.26 -4.66 121.20 114.00 1vkx s ILE 404 Ca 0.21 0.37 0.07 0.00 -0.26 0.00 0.00 60.65 61.03 1vkx s ILE 404 Cb -0.09 -4.59 -0.01 0.00 1.25 0.00 0.00 42.46 39.02 1vkx s ILE 404 CO 0.11 -1.52 0.35 -1.00 0.24 0.00 0.00 174.94 173.11 1vkx s HIS 405 N 6.78 2.38 -0.36 1.37 3.76 -1.26 -4.80 115.29 123.16 1vkx s HIS 405 Ca 0.46 -0.61 -0.27 0.00 -0.15 0.00 0.00 55.06 54.49 1vkx s HIS 405 Cb -0.10 -2.06 0.02 0.00 1.11 0.00 0.00 32.58 31.55 1vkx s HIS 405 CO 0.17 -0.16 0.99 -0.51 -0.85 0.00 0.00 174.74 174.39 1vkx s LEU 406 N -4.13 3.94 0.12 0.89 1.43 -1.26 0.91 118.68 120.58 1vkx s LEU 406 Ca 0.43 0.74 -0.21 0.00 -1.03 0.00 0.00 54.13 54.05 1vkx s LEU 406 Cb -0.01 -3.38 -0.07 0.00 0.03 0.00 0.00 46.19 42.76 1vkx s LEU 406 CO 0.25 -0.89 0.66 -2.28 0.23 0.00 0.00 176.35 174.32 1vkx s HIS 407 N 3.61 3.83 0.12 0.29 5.65 -0.63 -4.83 115.29 123.32 1vkx s HIS 407 Ca 0.41 1.41 -0.20 0.00 0.25 0.00 0.00 55.06 56.94 1vkx s HIS 407 Cb -0.12 -2.61 -0.04 0.00 -1.18 0.00 0.00 32.58 28.64 1vkx s HIS 407 CO 0.18 0.54 1.72 0.00 -0.65 0.00 0.00 174.74 176.53 1vkx h ALA 408 N 4.33 0.15 -2.58 1.58 0.00 -1.92 -3.43 119.26 117.40 1vkx h ALA 408 Ca -0.48 0.06 -0.58 0.00 0.00 0.00 0.00 54.91 53.90 1vkx h ALA 408 Cb 1.21 0.10 0.17 0.00 0.00 0.00 0.00 17.79 19.27 1vkx h ALA 408 CO 0.65 -0.45 -0.27 0.72 0.00 0.00 0.00 179.25 179.90 1vkx n HIS 409 N -5.15 -0.33 -4.42 0.00 8.25 -1.26 -4.84 115.22 107.47 1vkx n HIS 409 Ca -0.03 0.43 -0.27 0.00 -0.26 0.00 0.00 57.72 57.60 1vkx n HIS 409 Cb 0.11 -1.99 -0.12 0.00 1.12 0.00 0.00 29.99 29.10 1vkx n HIS 409 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1vkx s SER 410 N -1.22 3.40 0.01 0.41 0.01 -1.23 -4.77 113.70 110.31 1vkx s SER 410 Ca 0.70 -0.86 -0.25 0.00 1.31 0.00 0.00 55.95 56.86 1vkx s SER 410 Cb -0.43 -0.25 -0.05 0.00 0.21 0.00 0.00 66.02 65.50 1vkx s SER 410 CO 0.53 0.12 0.75 -0.76 0.41 0.00 0.00 173.24 174.29 1vkx s LEU 411 N -2.64 4.41 -0.06 2.44 1.43 -1.26 -1.77 118.68 121.23 1vkx s LEU 411 Ca 0.20 1.38 0.01 0.00 -1.03 0.00 0.00 54.13 54.69 1vkx s LEU 411 Cb -0.08 -3.20 0.02 0.00 0.03 0.00 0.00 46.19 42.96 1vkx s LEU 411 CO 0.10 -0.03 -0.07 0.68 0.23 0.00 0.00 176.35 177.25 1vkx s VAL 412 N 0.23 0.75 0.00 -1.59 -7.23 0.29 -3.48 120.40 109.38 1vkx s VAL 412 Ca 0.39 -0.24 0.00 0.00 -1.81 0.00 0.00 61.98 60.32 1vkx s VAL 412 Cb -0.20 -0.74 0.00 0.00 0.56 0.00 0.00 36.38 36.00 1vkx s VAL 412 CO 0.22 0.28 0.00 0.61 -0.31 0.00 0.00 175.10 175.89 1vkx n GLY 413 N 4.05 1.19 0.00 2.32 0.00 -1.26 0.13 105.19 111.63 1vkx n GLY 413 Ca -0.23 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.06 1vkx n GLY 413 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1vkx n LYS 414 N 0.00 0.00 0.00 1.61 4.81 -1.24 -2.90 118.16 120.44 1vkx n LYS 414 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1vkx n LYS 414 Cb 0.00 -0.31 0.02 0.00 0.02 0.00 0.00 35.03 34.76 1vkx n LYS 414 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1vkx n HIS 415 N 0.00 0.00 -2.84 5.64 8.25 -1.26 -4.72 115.22 120.28 1vkx n HIS 415 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.16 1vkx n HIS 415 Cb 0.00 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.08 1vkx n HIS 415 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1vkx s GLU 417 N -3.85 0.36 -0.92 0.00 2.02 -0.69 -4.63 118.70 110.98 1vkx s GLU 417 Ca 0.51 0.71 -0.06 0.00 0.02 0.00 0.00 54.97 56.15 1vkx s GLU 417 Cb -0.10 0.22 0.01 0.00 0.10 0.00 0.00 34.13 34.35 1vkx s GLU 417 CO 0.31 -0.09 0.74 -0.25 0.02 0.00 0.00 175.26 176.00 1vkx n ASP 418 N 4.18 -4.89 -3.67 -0.19 8.00 -1.26 -3.57 116.55 115.16 1vkx n ASP 418 Ca -0.15 -0.34 -0.30 0.00 0.71 0.00 0.00 54.79 54.71 1vkx n ASP 418 Cb 0.56 -3.51 0.04 0.00 -0.02 0.00 0.00 41.12 38.19 1vkx n ASP 418 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1vkx n GLY 419 N -1.48 -0.97 3.50 0.44 0.00 -1.23 -4.90 105.19 100.55 1vkx n GLY 419 Ca -0.00 0.45 -0.13 0.00 0.00 0.00 0.00 46.02 46.34 1vkx n GLY 419 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vkx s VAL 420 N -3.48 0.00 -0.20 1.61 0.11 -1.23 -4.31 120.40 112.90 1vkx s VAL 420 Ca 0.46 0.00 -0.04 0.00 -2.93 0.00 0.00 61.98 59.47 1vkx s VAL 420 Cb -0.16 -1.00 0.09 0.00 -1.53 0.00 0.00 36.38 33.78 1vkx s VAL 420 CO 0.85 0.00 0.22 0.00 -3.33 0.00 0.00 175.10 172.85 1vkx s THR 422 N 2.33 4.88 0.04 0.00 2.01 -1.23 -1.06 115.64 122.60 1vkx s THR 422 Ca 0.07 -1.75 -0.10 0.00 0.31 0.00 0.00 61.69 60.22 1vkx s THR 422 Cb -0.16 -4.73 -0.05 0.00 0.01 0.00 0.00 72.50 67.57 1vkx s THR 422 CO -0.12 -1.43 0.37 0.54 -0.69 0.00 0.00 174.62 173.29 1vkx s VAL 423 N 2.24 5.14 -0.16 3.82 0.11 -0.61 -4.96 120.40 125.99 1vkx s VAL 423 Ca 0.30 0.47 -0.03 0.00 -2.93 0.00 0.00 61.98 59.80 1vkx s VAL 423 Cb -0.06 -3.63 -0.02 0.00 -1.53 0.00 0.00 36.38 31.14 1vkx s VAL 423 CO -0.09 0.38 -0.05 0.42 -3.33 0.00 0.00 175.10 172.42 1vkx s THR 424 N -1.30 3.72 -0.82 5.04 -4.23 -1.26 -1.40 115.64 115.39 1vkx s THR 424 Ca 0.29 -0.42 0.01 0.00 -1.18 0.00 0.00 61.69 60.40 1vkx s THR 424 Cb -0.14 -2.62 0.21 0.00 1.34 0.00 0.00 72.50 71.28 1vkx s THR 424 CO 0.16 0.49 0.70 0.00 -0.54 0.00 0.00 174.62 175.44 1vkx n ALA 425 N 3.62 3.73 -2.49 3.99 0.00 0.92 -4.95 120.51 125.33 1vkx n ALA 425 Ca -0.18 -4.60 -0.23 0.00 0.00 0.00 0.00 53.44 48.44 1vkx n ALA 425 Cb 0.52 -1.43 0.01 0.00 0.00 0.00 0.00 19.45 18.55 1vkx n ALA 425 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vkx n GLY 426 N 2.05 5.14 0.00 0.00 0.00 -1.09 -0.37 105.19 110.92 1vkx n GLY 426 Ca 0.22 -2.47 0.00 0.00 0.00 0.00 0.00 46.02 43.77 1vkx n GLY 426 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1vkx n PRO 427 N -0.42 0.00 -0.03 1.61 -0.04 -1.10 -4.12 135.00 130.90 1vkx n PRO 427 Ca 0.33 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.84 1vkx n PRO 427 Cb 0.71 0.00 0.05 0.00 -0.04 0.00 0.00 33.50 34.22 1vkx n PRO 427 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1vkx n LYS 428 N 0.00 0.72 -3.94 0.54 4.81 -1.26 -3.31 118.16 115.73 1vkx n LYS 428 Ca 0.00 -1.19 -0.31 0.00 -0.87 0.00 0.00 58.31 55.94 1vkx n LYS 428 Cb 0.00 -1.17 -0.15 0.00 0.02 0.00 0.00 35.03 33.72 1vkx n LYS 428 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1vkx s ASP 429 N -0.77 4.20 0.18 3.14 -1.08 -1.26 -5.04 116.67 116.04 1vkx s ASP 429 Ca 0.12 -1.55 0.02 0.00 -0.52 0.00 0.00 52.55 50.62 1vkx s ASP 429 Cb 0.08 -1.29 0.06 0.00 -1.46 0.00 0.00 42.92 40.31 1vkx s ASP 429 CO 0.11 -0.30 1.42 0.24 0.52 0.00 0.00 175.17 177.16 1vkx h MET 430 N 7.86 0.23 -6.41 4.34 2.86 -1.91 -3.44 114.93 118.47 1vkx h MET 430 Ca -0.13 -0.22 -0.60 0.00 -2.06 0.00 0.00 59.70 56.69 1vkx h MET 430 Cb 1.04 0.06 0.04 0.00 0.06 0.00 0.00 31.60 32.80 1vkx h MET 430 CO 0.46 0.91 0.90 0.28 1.06 0.00 0.00 176.91 180.51 1vkx n VAL 431 N -3.73 0.21 -3.59 -2.22 0.31 -1.26 -3.96 118.33 104.09 1vkx n VAL 431 Ca -0.03 -0.04 -0.29 0.00 -0.01 0.00 0.00 64.34 63.97 1vkx n VAL 431 Cb 0.75 -1.63 -0.15 0.00 -0.91 0.00 0.00 33.84 31.90 1vkx n VAL 431 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1vkx s VAL 432 N 2.06 0.18 0.62 2.52 0.11 0.13 -4.99 120.40 121.03 1vkx s VAL 432 Ca 0.84 -0.94 -0.13 0.00 -2.93 0.00 0.00 61.98 58.82 1vkx s VAL 432 Cb -0.70 -1.17 -0.03 0.00 -1.53 0.00 0.00 36.38 32.96 1vkx s VAL 432 CO 0.43 -0.72 1.04 -0.83 -3.33 0.00 0.00 175.10 171.70 1vkx s GLY 433 N 1.96 1.88 -0.71 6.54 0.00 -1.26 -2.64 107.32 113.09 1vkx s GLY 433 Ca 0.09 0.17 0.04 0.00 0.00 0.00 0.00 44.72 45.02 1vkx s GLY 433 CO -0.34 0.47 0.51 -1.36 0.00 0.00 0.00 173.10 172.38 1vkx s PHE 434 N -2.81 3.57 0.42 1.90 0.08 -0.01 -4.96 117.98 116.18 1vkx s PHE 434 Ca 0.59 -3.26 -0.11 0.00 0.12 0.00 0.00 56.93 54.28 1vkx s PHE 434 Cb -0.13 -2.82 -0.06 0.00 -0.57 0.00 0.00 43.02 39.43 1vkx s PHE 434 CO 0.45 -0.61 0.79 0.00 -0.10 0.00 0.00 175.22 175.75 1vkx s ALA 435 N -1.26 3.32 -1.08 5.36 0.00 -1.26 -4.36 121.76 122.48 1vkx s ALA 435 Ca 0.24 -0.18 -0.20 0.00 0.00 0.00 0.00 51.96 51.82 1vkx s ALA 435 Cb -0.08 -2.74 0.01 0.00 0.00 0.00 0.00 23.12 20.31 1vkx s ALA 435 CO -0.13 -0.05 0.73 0.09 0.00 0.00 0.00 175.76 176.39 1vkx n ASN 436 N -1.38 -5.08 -4.78 0.00 3.02 -1.26 -4.76 115.26 101.02 1vkx n ASN 436 Ca 0.03 -1.03 -0.23 0.00 -0.03 0.00 0.00 54.58 53.32 1vkx n ASN 436 Cb 0.54 -2.72 -0.05 0.00 -0.61 0.00 0.00 39.78 36.94 1vkx n ASN 436 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1vkx s LEU 437 N -6.36 3.67 0.05 3.41 1.43 -1.26 -3.69 118.68 115.94 1vkx s LEU 437 Ca 0.37 -0.33 -0.14 0.00 -1.03 0.00 0.00 54.13 53.01 1vkx s LEU 437 Cb -0.16 -2.21 0.02 0.00 0.03 0.00 0.00 46.19 43.87 1vkx s LEU 437 CO 0.89 -0.02 0.31 -0.83 0.23 0.00 0.00 176.35 176.93 1vkx s GLY 438 N -3.74 -0.12 -0.37 -3.19 0.00 0.36 -1.16 107.32 99.10 1vkx s GLY 438 Ca 0.32 -0.03 -0.08 0.00 0.00 0.00 0.00 44.72 44.93 1vkx s GLY 438 CO 0.24 -0.25 0.18 -0.42 0.00 0.00 0.00 173.10 172.85 1vkx s ILE 439 N -2.72 4.10 0.06 0.90 1.01 -1.26 0.11 121.20 123.39 1vkx s ILE 439 Ca -0.04 -1.16 -0.31 0.00 0.00 0.00 0.00 60.65 59.15 1vkx s ILE 439 Cb -0.00 -3.38 -0.06 0.00 0.01 0.00 0.00 42.46 39.03 1vkx s ILE 439 CO -0.04 -0.30 1.31 -0.22 0.00 0.00 0.00 174.94 175.69 1vkx s LEU 440 N 1.44 4.35 -0.35 2.97 2.96 -0.73 -1.71 118.68 127.62 1vkx s LEU 440 Ca 0.01 2.13 -0.18 0.00 -0.22 0.00 0.00 54.13 55.87 1vkx s LEU 440 Cb -0.20 -3.58 -0.00 0.00 0.50 0.00 0.00 46.19 42.91 1vkx s LEU 440 CO 0.03 -0.60 0.52 -2.28 -1.32 0.00 0.00 176.35 172.70 1vkx s HIS 441 N 1.46 3.18 0.27 5.38 5.65 -0.70 -3.56 115.29 126.97 1vkx s HIS 441 Ca 0.62 0.18 -0.29 0.00 0.25 0.00 0.00 55.06 55.81 1vkx s HIS 441 Cb -0.32 -2.94 -0.09 0.00 -1.18 0.00 0.00 32.58 28.05 1vkx s HIS 441 CO 0.28 -0.55 1.00 0.54 -0.65 0.00 0.00 174.74 175.37 1vkx s VAL 442 N 2.41 3.87 0.13 0.89 0.11 -1.26 -4.15 120.40 122.40 1vkx s VAL 442 Ca 0.19 1.82 -0.30 0.00 -2.93 0.00 0.00 61.98 60.76 1vkx s VAL 442 Cb -0.15 -4.13 -0.07 0.00 -1.53 0.00 0.00 36.38 30.50 1vkx s VAL 442 CO 0.13 0.39 1.11 0.42 -3.33 0.00 0.00 175.10 173.82 1vkx s THR 443 N -1.25 3.99 0.28 5.04 -4.23 -1.26 -4.87 115.64 113.34 1vkx s THR 443 Ca 0.44 1.61 -0.03 0.00 -1.18 0.00 0.00 61.69 62.54 1vkx s THR 443 Cb -0.27 -4.03 0.36 0.00 1.34 0.00 0.00 72.50 69.90 1vkx s THR 443 CO 0.34 0.23 1.60 0.50 -0.54 0.00 0.00 174.62 176.75 1vkx h LYS 444 N 5.65 0.05 -0.71 3.99 1.63 -2.01 2.47 116.57 127.65 1vkx h LYS 444 Ca -0.43 -0.00 0.21 0.00 -0.85 0.00 0.00 60.65 59.57 1vkx h LYS 444 Cb 1.21 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 32.80 1vkx h LYS 444 CO 0.75 0.03 0.69 0.87 -3.45 0.00 0.00 179.45 178.34 1vkx h LYS 445 N 0.05 0.00 -0.01 1.90 1.79 -2.03 -1.77 116.57 116.51 1vkx h LYS 445 Ca 0.51 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.98 1vkx h LYS 445 Cb 0.97 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.62 1vkx h LYS 445 CO -0.82 0.00 0.00 1.63 -1.08 0.00 0.00 179.45 179.18 1vkx n LYS 446 N -3.73 1.65 0.40 3.15 5.02 0.83 -4.86 118.16 120.63 1vkx n LYS 446 Ca 0.15 -2.37 -0.18 0.00 -2.02 0.00 0.00 58.31 53.88 1vkx n LYS 446 Cb 0.94 -1.41 -0.09 0.00 -0.02 0.00 0.00 35.03 34.45 1vkx n LYS 446 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1vkx h VAL 447 N 0.04 0.26 -0.82 -0.18 2.07 -0.76 -2.87 116.25 114.00 1vkx h VAL 447 Ca 0.00 -0.03 0.19 0.00 0.82 0.00 0.00 66.70 67.68 1vkx h VAL 447 Cb 0.91 0.27 -0.12 0.00 -1.52 0.00 0.00 31.29 30.82 1vkx h VAL 447 CO 0.00 0.00 0.25 0.15 0.02 0.00 0.00 177.57 178.00 1vkx h PHE 448 N -1.02 0.39 0.37 1.57 3.04 -1.85 0.63 116.94 120.06 1vkx h PHE 448 Ca -0.10 0.04 -0.01 0.00 3.98 0.00 0.00 57.97 61.88 1vkx h PHE 448 Cb 0.77 -0.05 -0.00 0.00 2.56 0.00 0.00 35.95 39.23 1vkx h PHE 448 CO -0.02 -0.10 -0.22 1.49 -2.02 0.00 0.00 178.31 177.45 1vkx h GLU 449 N 0.30 -0.54 -0.53 1.11 4.81 -1.87 0.68 114.58 118.54 1vkx h GLU 449 Ca 0.49 0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.68 1vkx h GLU 449 Cb 0.89 0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.37 1vkx h GLU 449 CO -0.55 -0.36 0.04 1.15 -0.73 0.00 0.00 179.01 178.56 1vkx h THR 450 N -0.56 1.25 0.64 0.32 2.02 -1.23 -1.38 112.91 113.96 1vkx h THR 450 Ca -0.04 -1.00 -0.03 0.00 0.77 0.00 0.00 66.41 66.11 1vkx h THR 450 Cb 0.45 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 1vkx h THR 450 CO 0.05 0.36 -0.35 0.25 0.37 0.00 0.00 175.52 176.20 1vkx h LEU 451 N 0.82 -0.85 -1.04 2.58 5.85 -0.73 -0.17 115.31 121.78 1vkx h LEU 451 Ca 0.16 0.04 0.20 0.00 0.84 0.00 0.00 57.88 59.12 1vkx h LEU 451 Cb 0.44 0.23 -0.11 0.00 0.37 0.00 0.00 40.66 41.59 1vkx h LEU 451 CO 0.02 -0.56 0.61 -0.08 -0.34 0.00 0.00 178.44 178.09 1vkx h GLU 452 N -0.91 0.69 0.00 1.25 4.81 -0.87 0.49 114.58 120.04 1vkx h GLU 452 Ca -0.09 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 1vkx h GLU 452 Cb 0.71 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.94 1vkx h GLU 452 CO 0.12 0.46 0.00 0.00 -0.73 0.00 0.00 179.01 178.85 1vkx n ALA 453 N -2.34 1.98 -0.11 2.92 0.00 -0.52 -1.94 120.51 120.49 1vkx n ALA 453 Ca 0.24 -0.08 -0.22 0.00 0.00 0.00 0.00 53.44 53.37 1vkx n ALA 453 Cb 0.62 -1.31 -0.07 0.00 0.00 0.00 0.00 19.45 18.68 1vkx n ALA 453 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1vkx n ARG 454 N -1.33 0.46 -0.13 0.00 1.74 0.16 -4.02 116.66 113.54 1vkx n ARG 454 Ca 0.08 0.20 -0.04 0.00 -0.77 0.00 0.00 57.85 57.32 1vkx n ARG 454 Cb 0.17 -1.27 0.02 0.00 -1.02 0.00 0.00 32.46 30.36 1vkx n ARG 454 CO 0.00 0.00 0.00 0.52 -1.52 0.00 0.00 177.63 176.63 1vkx h MET 455 N -0.78 0.03 -0.46 5.56 2.86 -1.27 -1.78 114.93 119.09 1vkx h MET 455 Ca -0.52 -0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.17 1vkx h MET 455 Cb 1.44 -0.01 -0.05 0.00 0.06 0.00 0.00 31.60 33.04 1vkx h MET 455 CO -0.31 0.02 0.18 1.15 1.06 0.00 0.00 176.91 179.01 1vkx h THR 456 N 0.04 0.88 -0.19 2.22 2.02 -1.63 -0.96 112.91 115.29 1vkx h THR 456 Ca 0.20 -0.13 -0.19 0.00 0.77 0.00 0.00 66.41 67.07 1vkx h THR 456 Cb 0.31 0.48 -0.07 0.00 -1.74 0.00 0.00 68.15 67.13 1vkx h THR 456 CO -0.40 0.07 -0.08 -0.62 0.37 0.00 0.00 175.52 174.86 1vkx n GLU 457 N -4.98 1.72 0.00 6.66 1.02 -0.68 -2.94 120.64 121.45 1vkx n GLU 457 Ca 0.04 -0.92 0.00 0.00 -0.02 0.00 0.00 57.16 56.25 1vkx n GLU 457 Cb 0.16 -1.67 0.00 0.00 -0.02 0.00 0.00 31.44 29.92 1vkx n GLU 457 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1vkx n ALA 458 N 1.74 0.03 0.38 0.62 0.00 -0.79 -4.85 120.51 117.64 1vkx n ALA 458 Ca 0.29 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.86 1vkx n ALA 458 Cb 0.70 0.00 0.54 0.00 0.00 0.00 0.00 19.45 20.69 1vkx n ALA 458 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vkx n ILE 460 N -2.48 1.38 -0.03 0.00 -5.35 -1.24 -4.30 119.36 107.34 1vkx n ILE 460 Ca 0.02 -0.90 -0.06 0.00 -0.27 0.00 0.00 62.75 61.54 1vkx n ILE 460 Cb 0.27 0.06 -0.02 0.00 -1.74 0.00 0.00 39.64 38.20 1vkx n ILE 460 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1vkx n ARG 461 N 0.86 0.13 0.00 6.28 5.12 -0.51 -4.60 116.66 123.93 1vkx n ARG 461 Ca 0.20 0.05 0.00 0.00 -1.93 0.00 0.00 57.85 56.17 1vkx n ARG 461 Cb 0.71 -0.80 0.00 0.00 -1.16 0.00 0.00 32.46 31.21 1vkx n ARG 461 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1vkx n GLY 462 N 2.78 1.65 0.19 -0.13 0.00 -1.15 -2.78 105.19 105.75 1vkx n GLY 462 Ca -0.11 -0.19 0.14 0.00 0.00 0.00 0.00 46.02 45.85 1vkx n GLY 462 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 1vkx h TYR 463 N 0.00 0.00 -2.47 1.61 -0.00 -1.74 0.13 116.97 114.50 1vkx h TYR 463 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 58.73 58.13 1vkx h TYR 463 Cb 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 36.73 36.32 1vkx h TYR 463 CO 0.00 0.00 -0.71 0.09 -0.00 0.00 0.00 178.16 177.54 1vkx n ASN 464 N -2.45 2.47 -4.66 0.10 3.02 -1.26 -5.08 115.26 107.40 1vkx n ASN 464 Ca -0.00 -3.13 -0.33 0.00 -0.03 0.00 0.00 54.58 51.09 1vkx n ASN 464 Cb 0.13 -0.68 0.13 0.00 -0.61 0.00 0.00 39.78 38.75 1vkx n ASN 464 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1vkx n PRO 465 N 1.53 0.07 0.00 3.52 -0.04 0.46 -3.76 135.00 136.79 1vkx n PRO 465 Ca 0.25 0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.81 1vkx n PRO 465 Cb 0.42 -2.36 0.00 0.00 -0.04 0.00 0.00 33.50 31.51 1vkx n PRO 465 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1vkx n GLY 466 N 0.63 -0.35 0.44 0.55 0.00 -1.26 -1.26 105.19 103.94 1vkx n GLY 466 Ca 0.13 0.00 0.26 0.00 0.00 0.00 0.00 46.02 46.40 1vkx n GLY 466 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1vkx h LEU 467 N 0.00 0.22 0.00 0.99 4.07 -1.88 -1.24 115.31 117.48 1vkx h LEU 467 Ca 0.00 0.03 -0.35 0.00 0.08 0.00 0.00 57.88 57.64 1vkx h LEU 467 Cb 0.16 -0.01 -0.06 0.00 1.08 0.00 0.00 40.66 41.83 1vkx h LEU 467 CO 0.00 0.07 -2.22 0.18 -1.08 0.00 0.00 178.44 175.39 1vkx n LEU 468 N -4.41 0.43 0.00 1.67 4.77 -0.39 -4.62 117.00 114.46 1vkx n LEU 468 Ca 0.21 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 1vkx n LEU 468 Cb 0.91 0.31 0.00 0.00 -2.33 0.00 0.00 43.42 42.31 1vkx n LEU 468 CO 0.33 0.50 0.00 0.52 -1.33 0.00 0.00 177.39 177.42 1vkx n VAL 469 N -2.87 0.00 -3.27 4.08 0.31 -1.05 -4.35 118.33 111.19 1vkx n VAL 469 Ca -0.30 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.62 1vkx n VAL 469 Cb 1.12 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.97 1vkx n VAL 469 CO 0.00 0.00 0.00 -1.38 -1.32 0.00 0.00 176.83 174.13 1vkx s HIS 470 N 1.05 3.17 -2.00 3.52 -3.43 -1.21 -4.90 115.29 111.50 1vkx s HIS 470 Ca 0.00 0.03 0.10 0.00 -0.80 0.00 0.00 55.06 54.38 1vkx s HIS 470 Cb 0.00 -2.92 0.59 0.00 -1.43 0.00 0.00 32.58 28.82 1vkx s HIS 470 CO 0.00 -0.58 1.02 0.43 -2.00 0.00 0.00 174.74 173.61 1vkx n SER 471 N 5.70 0.00 0.26 7.38 7.64 -0.49 0.96 113.62 135.07 1vkx n SER 471 Ca -0.06 -0.35 0.14 0.00 1.01 0.00 0.00 58.87 59.62 1vkx n SER 471 Cb 0.49 0.00 0.66 0.00 -1.01 0.00 0.00 64.21 64.35 1vkx n SER 471 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1vkx h ASP 472 N 0.00 0.00 0.41 6.43 1.82 -1.91 -1.41 116.42 121.77 1vkx h ASP 472 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1vkx h ASP 472 Cb 0.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 1vkx h ASP 472 CO 0.00 0.11 0.00 -0.11 -1.61 0.00 0.00 179.24 177.63 1vkx n LEU 473 N -3.34 0.00 -2.55 2.28 -0.00 0.27 -4.95 117.00 108.71 1vkx n LEU 473 Ca -0.01 0.23 -0.36 0.00 -0.00 0.00 0.00 56.01 55.87 1vkx n LEU 473 Cb 0.31 -0.23 -0.06 0.00 -0.00 0.00 0.00 43.42 43.45 1vkx n LEU 473 CO 0.29 -0.02 0.66 0.00 -0.00 0.00 0.00 177.39 178.32 1vkx n ALA 474 N -1.23 -0.65 0.00 1.96 0.00 -0.53 -4.36 120.51 115.71 1vkx n ALA 474 Ca 0.15 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1vkx n ALA 474 Cb 0.19 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.59 1vkx n ALA 474 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1vkx n TYR 475 N 2.37 0.00 -1.01 0.00 4.02 -1.26 -4.98 117.16 116.30 1vkx n TYR 475 Ca 0.18 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 58.21 1vkx n TYR 475 Cb -0.03 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.25 1vkx n TYR 475 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1vkx n LEU 476 N 0.00 -0.51 0.09 7.72 7.99 -1.26 -4.50 117.00 126.53 1vkx n LEU 476 Ca 0.00 1.13 0.00 0.00 -0.01 0.00 0.00 56.01 57.13 1vkx n LEU 476 Cb 0.00 -3.09 0.00 0.00 -0.11 0.00 0.00 43.42 40.22 1vkx n LEU 476 CO 0.00 -2.67 0.00 0.00 -1.51 0.00 0.00 177.39 173.21 1vkx n GLN 477 N -3.34 0.00 0.00 3.23 -0.00 -1.26 -4.92 117.38 111.10 1vkx n GLN 477 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 1vkx n GLN 477 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.70 1vkx n GLN 477 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1vkx n ALA 478 N -2.86 0.00 0.00 2.61 0.00 -1.12 -2.37 120.51 116.77 1vkx n ALA 478 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1vkx n ALA 478 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1vkx n ALA 478 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1vkx n GLU 479 N 0.00 0.00 0.00 0.00 0.00 -1.26 -4.83 120.64 114.55 1vkx n GLU 479 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1vkx n GLU 479 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 1vkx n GLU 479 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1vkx n GLY 480 N -0.31 -0.45 0.00 -1.84 0.00 -1.26 -5.09 105.19 96.24 1vkx n GLY 480 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.37 1vkx n GLY 480 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vkx n GLY 481 N 0.00 0.78 3.68 -0.02 0.00 -1.26 -4.72 105.19 103.64 1vkx n GLY 481 Ca 0.00 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.79 1vkx n GLY 481 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1vkx s GLY 482 N -1.52 1.98 0.00 -0.02 0.00 -1.26 -2.94 107.32 103.57 1vkx s GLY 482 Ca 0.00 0.58 0.00 0.00 0.00 0.00 0.00 44.72 45.30 1vkx s GLY 482 CO 0.00 2.28 0.00 1.22 0.00 0.00 0.00 173.10 176.60 1vkx n ASP 483 N 5.55 0.00 -4.58 1.64 8.00 -1.26 -4.91 116.55 121.00 1vkx n ASP 483 Ca 0.12 0.00 -0.49 0.00 0.71 0.00 0.00 54.79 55.13 1vkx n ASP 483 Cb 0.46 -1.96 -0.04 0.00 -0.02 0.00 0.00 41.12 39.56 1vkx n ASP 483 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1vkx n ARG 484 N -2.00 1.14 -1.27 -1.24 1.85 -1.15 -4.86 116.66 109.13 1vkx n ARG 484 Ca 0.00 0.41 -0.32 0.00 -1.00 0.00 0.00 57.85 56.93 1vkx n ARG 484 Cb 0.00 -1.89 0.10 0.00 -1.05 0.00 0.00 32.46 29.62 1vkx n ARG 484 CO 0.00 0.00 0.00 -1.14 -0.01 0.00 0.00 177.63 176.48 1vkx s GLN 485 N -0.42 2.05 0.29 2.89 2.00 -1.26 -5.03 119.66 120.18 1vkx s GLN 485 Ca 0.73 1.44 0.09 0.00 -2.00 0.00 0.00 55.36 55.61 1vkx s GLN 485 Cb -0.85 -1.85 -0.04 0.00 0.80 0.00 0.00 33.01 31.06 1vkx s GLN 485 CO 0.53 -1.84 0.07 -0.51 -0.50 0.00 0.00 175.29 173.04 1vkx s LEU 486 N -5.69 3.29 0.43 3.68 1.02 -1.26 -5.08 118.68 115.07 1vkx s LEU 486 Ca 0.67 -0.65 -0.26 0.00 0.02 0.00 0.00 54.13 53.90 1vkx s LEU 486 Cb -0.22 -1.79 -0.09 0.00 0.02 0.00 0.00 46.19 44.11 1vkx s LEU 486 CO 0.51 -0.12 1.42 0.41 0.02 0.00 0.00 176.35 178.59 1vkx n THR 487 N -1.03 2.57 0.28 5.49 -1.04 -1.26 -4.79 114.28 114.50 1vkx n THR 487 Ca -0.05 -0.50 -0.16 0.00 -2.04 0.00 0.00 64.05 61.29 1vkx n THR 487 Cb 0.60 -1.84 -0.08 0.00 -1.82 0.00 0.00 70.33 67.19 1vkx n THR 487 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 1vkx h ASP 488 N 2.42 -0.87 -0.22 8.00 1.82 -2.00 0.67 116.42 126.24 1vkx h ASP 488 Ca -0.50 0.06 0.06 0.00 -0.39 0.00 0.00 57.03 56.26 1vkx h ASP 488 Cb 1.27 0.27 -0.01 0.00 0.68 0.00 0.00 39.33 41.54 1vkx h ASP 488 CO 0.62 -0.51 0.21 0.08 -1.61 0.00 0.00 179.24 178.03 1vkx h ARG 489 N -0.78 0.00 0.44 0.28 -0.00 -2.02 -2.28 114.38 110.02 1vkx h ARG 489 Ca -0.05 0.00 -0.02 0.00 -0.00 0.00 0.00 59.98 59.91 1vkx h ARG 489 Cb 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.64 1vkx h ARG 489 CO 0.02 0.00 -0.21 1.49 -0.00 0.00 0.00 179.97 181.27 1vkx h GLU 490 N 0.00 -0.57 -1.68 0.08 4.81 -1.32 -2.93 114.58 112.97 1vkx h GLU 490 Ca 0.11 0.04 0.52 0.00 -0.13 0.00 0.00 59.36 59.89 1vkx h GLU 490 Cb 0.53 0.13 -0.10 0.00 0.63 0.00 0.00 28.75 29.94 1vkx h GLU 490 CO -0.00 -0.38 1.17 1.63 -0.73 0.00 0.00 179.01 180.70 1vkx n LYS 491 N -3.66 -0.01 0.24 1.92 5.02 0.02 -0.32 118.16 121.36 1vkx n LYS 491 Ca -0.07 1.12 -0.12 0.00 -2.02 0.00 0.00 58.31 57.21 1vkx n LYS 491 Cb 0.23 -2.41 -0.06 0.00 -0.02 0.00 0.00 35.03 32.77 1vkx n LYS 491 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1vkx h GLU 492 N 0.00 -0.64 -0.19 1.97 4.57 -1.46 0.74 114.58 119.57 1vkx h GLU 492 Ca 0.89 0.04 0.06 0.00 -1.18 0.00 0.00 59.36 59.17 1vkx h GLU 492 Cb 3.30 0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 32.02 1vkx h GLU 492 CO -0.19 -0.37 0.28 0.82 -1.18 0.00 0.00 179.01 178.37 1vkx h ILE 493 N -1.11 0.31 0.12 2.32 2.04 -0.53 0.89 117.51 121.55 1vkx h ILE 493 Ca -0.07 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 1vkx h ILE 493 Cb 0.56 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 37.41 1vkx h ILE 493 CO 0.11 0.00 -0.06 0.40 0.00 0.00 0.00 178.15 178.61 1vkx h ILE 494 N 0.00 0.39 -0.15 -0.67 2.04 -1.16 -3.15 117.51 114.81 1vkx h ILE 494 Ca 0.09 -1.12 0.04 0.00 1.00 0.00 0.00 64.86 64.87 1vkx h ILE 494 Cb 0.65 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 37.39 1vkx h ILE 494 CO -0.00 0.12 -0.11 0.08 0.00 0.00 0.00 178.15 178.24 1vkx h ARG 495 N -1.01 -0.11 0.00 2.37 -0.00 0.27 0.25 114.38 116.15 1vkx h ARG 495 Ca -0.02 0.01 -0.03 0.00 -0.00 0.00 0.00 59.98 59.94 1vkx h ARG 495 Cb 0.32 0.02 -0.00 0.00 -0.00 0.00 0.00 29.97 30.31 1vkx h ARG 495 CO 0.03 -0.07 -0.15 0.37 -0.00 0.00 0.00 179.97 180.14 1vkx h GLN 496 N -0.11 0.00 -0.26 0.08 4.15 0.52 0.23 115.11 119.72 1vkx h GLN 496 Ca 0.09 0.00 -0.13 0.00 0.77 0.00 0.00 58.65 59.38 1vkx h GLN 496 Cb 0.25 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.93 1vkx h GLN 496 CO -0.22 0.15 -0.37 0.00 -1.93 0.00 0.00 178.83 176.46 1vkx h ALA 497 N 1.85 0.87 0.00 3.38 0.00 -1.23 -1.68 119.26 122.45 1vkx h ALA 497 Ca -0.00 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1vkx h ALA 497 Cb 0.28 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1vkx h ALA 497 CO 0.02 0.64 0.00 0.00 0.00 0.00 0.00 179.25 179.91 1vkx n ALA 498 N -2.50 1.98 0.12 0.00 0.00 0.80 -2.84 120.51 118.08 1vkx n ALA 498 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1vkx n ALA 498 Cb 0.50 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.95 1vkx n ALA 498 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1vkx n VAL 499 N 0.33 0.06 0.41 0.00 0.31 -0.83 -4.54 118.33 114.08 1vkx n VAL 499 Ca 0.00 0.02 0.04 0.00 -0.01 0.00 0.00 64.34 64.39 1vkx n VAL 499 Cb 0.20 -0.57 0.22 0.00 -0.91 0.00 0.00 33.84 32.78 1vkx n VAL 499 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1vkx n GLN 500 N -3.34 0.14 -0.09 5.55 -0.06 -0.70 -1.57 117.38 117.30 1vkx n GLN 500 Ca 0.00 0.19 -0.09 0.00 -2.00 0.00 0.00 57.00 55.10 1vkx n GLN 500 Cb 0.01 -1.50 -0.16 0.00 -4.06 0.00 0.00 30.24 24.52 1vkx n GLN 500 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 1vkx n GLN 501 N -1.26 0.69 -0.09 3.69 6.02 -1.13 -4.23 117.38 121.08 1vkx n GLN 501 Ca 0.04 -0.02 -0.03 0.00 -0.01 0.00 0.00 57.00 56.98 1vkx n GLN 501 Cb 0.06 -1.52 0.19 0.00 1.02 0.00 0.00 30.24 29.99 1vkx n GLN 501 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 1vkx h THR 502 N 0.00 1.23 -0.64 5.09 2.02 -1.53 0.16 112.91 119.25 1vkx h THR 502 Ca -0.52 -0.96 -0.05 0.00 0.77 0.00 0.00 66.41 65.65 1vkx h THR 502 Cb 2.18 0.89 -0.03 0.00 -1.74 0.00 0.00 68.15 69.45 1vkx h THR 502 CO 0.03 0.34 0.21 0.11 0.37 0.00 0.00 175.52 176.57 1vkx h LYS 503 N 0.69 0.96 0.00 6.66 1.79 -1.72 -2.98 116.57 121.97 1vkx h LYS 503 Ca 0.14 -0.18 -0.01 0.00 -2.18 0.00 0.00 60.65 58.42 1vkx h LYS 503 Cb 0.43 -0.15 -0.00 0.00 -1.58 0.00 0.00 32.23 30.92 1vkx h LYS 503 CO 0.02 0.82 -0.17 1.05 -1.08 0.00 0.00 179.45 180.09 1vkx h GLU 504 N 0.93 0.00 -6.43 3.15 4.11 -1.49 -3.46 114.58 111.40 1vkx h GLU 504 Ca 0.21 0.00 -0.53 0.00 0.07 0.00 0.00 59.36 59.11 1vkx h GLU 504 Cb 0.26 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.53 1vkx h GLU 504 CO -0.01 0.02 1.16 1.41 0.07 0.00 0.00 179.01 181.66 1vkx s MET 505 N -3.22 4.14 -0.27 1.06 1.75 0.48 -4.97 119.30 118.27 1vkx s MET 505 Ca 0.06 2.57 -0.16 0.00 -1.25 0.00 0.00 55.69 56.91 1vkx s MET 505 Cb 0.06 -3.87 -0.03 0.00 2.84 0.00 0.00 34.83 33.83 1vkx s MET 505 CO 0.69 -0.89 0.41 0.34 -0.65 0.00 0.00 175.02 174.92 1vkx s ASP 506 N 3.50 6.29 -0.04 1.11 -1.08 -1.26 -4.95 116.67 120.24 1vkx s ASP 506 Ca 0.83 0.33 0.09 0.00 -0.52 0.00 0.00 52.55 53.28 1vkx s ASP 506 Cb -0.43 -2.23 0.33 0.00 -1.46 0.00 0.00 42.92 39.13 1vkx s ASP 506 CO 0.38 -0.21 1.20 0.18 0.52 0.00 0.00 175.17 177.24 1vkx n LEU 507 N 5.38 2.30 -0.67 -1.34 4.77 -1.26 -3.99 117.00 122.19 1vkx n LEU 507 Ca -0.07 -1.15 0.07 0.00 -0.03 0.00 0.00 56.01 54.83 1vkx n LEU 507 Cb 0.50 -0.35 0.10 0.00 -2.33 0.00 0.00 43.42 41.35 1vkx n LEU 507 CO 0.38 0.45 0.54 -1.54 -1.33 0.00 0.00 177.39 175.89 1vkx n SER 508 N 0.44 2.50 -3.71 -1.43 3.41 -1.26 -4.93 113.62 108.64 1vkx n SER 508 Ca 0.12 -1.72 -0.12 0.00 -0.26 0.00 0.00 58.87 56.89 1vkx n SER 508 Cb 0.42 -0.08 -0.10 0.00 -0.26 0.00 0.00 64.21 64.19 1vkx n SER 508 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1vkx s VAL 509 N -1.18 -0.01 0.23 -3.33 0.11 -1.26 -0.06 120.40 114.91 1vkx s VAL 509 Ca 0.21 0.02 0.04 0.00 -2.93 0.00 0.00 61.98 59.32 1vkx s VAL 509 Cb 0.13 -0.64 -0.01 0.00 -1.53 0.00 0.00 36.38 34.33 1vkx s VAL 509 CO 0.19 0.01 0.14 1.33 -3.33 0.00 0.00 175.10 173.44 1vkx n VAL 510 N 3.20 0.00 -3.66 2.04 0.24 0.24 -4.72 118.33 115.67 1vkx n VAL 510 Ca -0.16 -1.54 -0.08 0.00 -2.04 0.00 0.00 64.34 60.52 1vkx n VAL 510 Cb 0.57 0.67 -0.08 0.00 -1.47 0.00 0.00 33.84 33.52 1vkx n VAL 510 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1vkx s ARG 511 N -2.92 0.60 0.36 7.34 0.52 -1.10 0.31 118.95 124.06 1vkx s ARG 511 Ca 0.20 1.08 -0.27 0.00 -0.52 0.00 0.00 55.73 56.21 1vkx s ARG 511 Cb 0.01 0.09 -0.09 0.00 0.52 0.00 0.00 34.95 35.47 1vkx s ARG 511 CO 0.14 -0.15 1.23 -0.51 0.02 0.00 0.00 175.30 176.03 1vkx s LEU 512 N 1.54 4.32 -0.56 2.53 1.43 -1.26 -0.39 118.68 126.29 1vkx s LEU 512 Ca -0.10 2.51 0.06 0.00 -1.03 0.00 0.00 54.13 55.57 1vkx s LEU 512 Cb -0.06 -3.82 0.21 0.00 0.03 0.00 0.00 46.19 42.55 1vkx s LEU 512 CO -0.17 -0.60 0.55 0.80 0.23 0.00 0.00 176.35 177.16 1vkx n MET 513 N 0.46 1.51 -1.81 1.70 1.56 0.34 -0.25 117.12 120.64 1vkx n MET 513 Ca 0.02 -4.04 -0.42 0.00 -0.27 0.00 0.00 57.70 52.99 1vkx n MET 513 Cb 0.44 -1.94 -0.03 0.00 2.15 0.00 0.00 33.22 33.85 1vkx n MET 513 CO 0.00 0.00 0.00 -0.06 -0.73 0.00 0.00 175.97 175.18 1vkx s PHE 514 N -1.45 2.97 -0.01 1.12 0.08 0.10 -4.03 117.98 116.76 1vkx s PHE 514 Ca 0.33 0.45 0.05 0.00 0.12 0.00 0.00 56.93 57.88 1vkx s PHE 514 Cb 0.08 -4.06 -0.01 0.00 -0.57 0.00 0.00 43.02 38.46 1vkx s PHE 514 CO -0.11 -3.98 -0.15 0.99 -0.10 0.00 0.00 175.22 171.88 1vkx s THR 515 N 1.16 1.16 -0.04 0.64 2.01 -0.89 0.13 115.64 119.81 1vkx s THR 515 Ca 0.73 -0.67 0.03 0.00 0.31 0.00 0.00 61.69 62.09 1vkx s THR 515 Cb -0.47 -0.98 -0.03 0.00 0.01 0.00 0.00 72.50 71.03 1vkx s THR 515 CO 0.32 0.29 -0.11 0.00 -0.69 0.00 0.00 174.62 174.43 1vkx s ALA 516 N -0.40 2.80 0.06 7.40 0.00 -1.19 -2.15 121.76 128.28 1vkx s ALA 516 Ca 0.05 -0.98 0.07 0.00 0.00 0.00 0.00 51.96 51.10 1vkx s ALA 516 Cb -0.06 -1.04 -0.03 0.00 0.00 0.00 0.00 23.12 22.00 1vkx s ALA 516 CO -0.00 0.57 -0.20 -0.06 0.00 0.00 0.00 175.76 176.07 1vkx s PHE 517 N -0.81 1.74 0.15 0.00 0.08 0.36 -0.32 117.98 119.18 1vkx s PHE 517 Ca 0.13 -0.38 0.00 0.00 0.12 0.00 0.00 56.93 56.80 1vkx s PHE 517 Cb -0.11 -1.02 -0.04 0.00 -0.57 0.00 0.00 43.02 41.28 1vkx s PHE 517 CO 0.02 0.11 0.03 -0.51 -0.10 0.00 0.00 175.22 174.77 1vkx s LEU 518 N -1.34 1.97 0.06 -0.37 1.43 -1.17 -2.04 118.68 117.22 1vkx s LEU 518 Ca 0.07 -1.19 -0.37 0.00 -1.03 0.00 0.00 54.13 51.61 1vkx s LEU 518 Cb -0.09 0.11 -0.16 0.00 0.03 0.00 0.00 46.19 46.08 1vkx s LEU 518 CO 0.02 -0.64 1.41 -0.81 0.23 0.00 0.00 176.35 176.56 1vkx n PRO 519 N -0.17 1.26 -3.71 1.29 -0.04 -1.26 -2.23 135.00 130.15 1vkx n PRO 519 Ca -0.06 0.46 -0.11 0.00 -0.04 0.00 0.00 63.50 63.74 1vkx n PRO 519 Cb 0.63 -2.12 -0.10 0.00 -0.04 0.00 0.00 33.50 31.87 1vkx n PRO 519 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1vkx s ASP 520 N 0.88 -0.49 -1.46 3.54 -1.08 1.00 -4.81 116.67 114.24 1vkx s ASP 520 Ca 0.85 0.88 -0.09 0.00 -0.52 0.00 0.00 52.55 53.68 1vkx s ASP 520 Cb -0.93 0.81 0.04 0.00 -1.46 0.00 0.00 42.92 41.38 1vkx s ASP 520 CO 0.48 -0.18 0.82 -1.20 0.52 0.00 0.00 175.17 175.61 1vkx n SER 521 N 3.73 -5.47 -2.34 -0.34 7.64 -1.26 -3.99 113.62 111.59 1vkx n SER 521 Ca -0.19 -0.49 -0.00 0.00 1.01 0.00 0.00 58.87 59.20 1vkx n SER 521 Cb 0.56 -4.39 -0.00 0.00 -1.01 0.00 0.00 64.21 59.37 1vkx n SER 521 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1vkx n THR 522 N -4.58 -9.09 0.00 0.44 -1.04 -1.26 -4.87 114.28 93.88 1vkx n THR 522 Ca -0.03 1.34 0.00 0.00 -2.04 0.00 0.00 64.05 63.32 1vkx n THR 522 Cb 0.57 -6.03 0.00 0.00 -1.82 0.00 0.00 70.33 63.05 1vkx n THR 522 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1vkx n GLY 523 N 0.53 0.51 0.00 3.41 0.00 -1.26 -5.09 105.19 103.30 1vkx n GLY 523 Ca -0.02 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.82 1vkx n GLY 523 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1vkx n SER 524 N 0.00 0.00 -3.64 1.61 7.64 -1.26 -3.45 113.62 114.53 1vkx n SER 524 Ca 0.00 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.47 1vkx n SER 524 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 1vkx n SER 524 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1vkx n PHE 525 N 0.00 3.08 -0.03 1.43 3.72 -1.26 -0.00 117.46 124.40 1vkx n PHE 525 Ca 0.00 -2.96 -0.11 0.00 -0.05 0.00 0.00 57.45 54.33 1vkx n PHE 525 Cb 0.00 -2.37 -0.05 0.00 -0.94 0.00 0.00 39.48 36.12 1vkx n PHE 525 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 1vkx h THR 526 N 3.60 1.14 -3.37 4.37 2.02 -1.70 -3.38 112.91 115.60 1vkx h THR 526 Ca 0.62 -0.41 -0.58 0.00 0.77 0.00 0.00 66.41 66.81 1vkx h THR 526 Cb 0.53 1.16 -0.08 0.00 -1.74 0.00 0.00 68.15 68.01 1vkx h THR 526 CO 1.78 0.13 -0.09 -0.60 0.37 0.00 0.00 175.52 177.11 1vkx s ARG 527 N -5.62 4.31 -0.36 6.66 6.06 -1.22 -4.84 118.95 123.94 1vkx s ARG 527 Ca -0.14 0.48 -0.28 0.00 -2.50 0.00 0.00 55.73 53.29 1vkx s ARG 527 Cb 0.07 -3.47 -0.03 0.00 0.06 0.00 0.00 34.95 31.57 1vkx s ARG 527 CO 0.69 0.06 1.93 0.50 -2.50 0.00 0.00 175.30 175.99 1vkx s ARG 528 N 0.94 3.09 -0.27 5.12 3.52 -1.26 -3.03 118.95 127.05 1vkx s ARG 528 Ca 0.26 1.41 -0.15 0.00 -0.13 0.00 0.00 55.73 57.12 1vkx s ARG 528 Cb -0.15 -4.29 -0.03 0.00 -1.56 0.00 0.00 34.95 28.91 1vkx s ARG 528 CO 0.11 -2.15 0.39 -1.17 -0.81 0.00 0.00 175.30 171.67 1vkx s LEU 529 N 7.91 4.05 0.00 -0.88 2.96 0.56 -4.95 118.68 128.34 1vkx s LEU 529 Ca 0.83 0.30 0.00 0.00 -0.22 0.00 0.00 54.13 55.04 1vkx s LEU 529 Cb -0.22 -2.45 0.00 0.00 0.50 0.00 0.00 46.19 44.01 1vkx s LEU 529 CO 0.31 -0.20 0.00 -0.62 -1.32 0.00 0.00 176.35 174.52 1vkx n GLU 530 N 5.36 0.00 -2.59 1.98 -0.58 -1.26 -3.14 120.64 120.41 1vkx n GLU 530 Ca -0.08 0.00 -0.40 0.00 -0.42 0.00 0.00 57.16 56.26 1vkx n GLU 530 Cb 0.51 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 31.33 1vkx n GLU 530 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1vkx s PRO 531 N 0.00 4.72 -0.05 3.49 0.04 -1.26 -4.47 135.00 137.47 1vkx s PRO 531 Ca 0.00 1.66 0.05 0.00 0.04 0.00 0.00 61.00 62.76 1vkx s PRO 531 Cb 0.00 -3.24 -0.02 0.00 0.04 0.00 0.00 34.50 31.28 1vkx s PRO 531 CO 0.00 0.32 -0.20 0.54 0.04 0.00 0.00 177.00 177.70 1vkx s VAL 532 N -1.04 2.59 -0.09 -0.36 0.11 0.12 -5.00 120.40 116.73 1vkx s VAL 532 Ca 0.44 -0.89 0.03 0.00 -2.93 0.00 0.00 61.98 58.62 1vkx s VAL 532 Cb -0.29 -1.97 -0.01 0.00 -1.53 0.00 0.00 36.38 32.57 1vkx s VAL 532 CO 0.37 0.58 -0.18 0.68 -3.33 0.00 0.00 175.10 173.21 1vkx s VAL 533 N -0.54 2.62 1.05 2.04 -7.23 -1.26 -0.72 120.40 116.35 1vkx s VAL 533 Ca 0.07 -0.85 -0.17 0.00 -1.81 0.00 0.00 61.98 59.23 1vkx s VAL 533 Cb -0.11 -2.03 0.23 0.00 0.56 0.00 0.00 36.38 35.03 1vkx s VAL 533 CO 0.01 0.56 1.24 -0.94 -0.31 0.00 0.00 175.10 175.66 1vkx s SER 534 N -0.02 2.35 1.18 4.85 1.04 0.66 -4.97 113.70 118.79 1vkx s SER 534 Ca -0.06 0.41 -0.13 0.00 0.48 0.00 0.00 55.95 56.65 1vkx s SER 534 Cb -0.15 -0.53 0.29 0.00 0.10 0.00 0.00 66.02 65.73 1vkx s SER 534 CO 0.05 -3.22 1.02 -1.81 0.98 0.00 0.00 173.24 170.26 1vkx s ASP 535 N -4.53 0.88 0.32 7.02 1.01 -1.26 -4.62 116.67 115.49 1vkx s ASP 535 Ca 0.73 1.43 -0.27 0.00 0.71 0.00 0.00 52.55 55.14 1vkx s ASP 535 Cb -0.06 -2.21 -0.09 0.00 1.01 0.00 0.00 42.92 41.56 1vkx s ASP 535 CO 0.54 -4.25 1.03 0.00 0.21 0.00 0.00 175.17 172.70 1vkx s ALA 536 N -2.49 3.26 -0.21 5.23 0.00 -1.26 -4.46 121.76 121.83 1vkx s ALA 536 Ca 0.68 0.72 -0.03 0.00 0.00 0.00 0.00 51.96 53.33 1vkx s ALA 536 Cb -0.24 -3.26 -0.01 0.00 0.00 0.00 0.00 23.12 19.61 1vkx s ALA 536 CO 0.64 -0.05 -0.06 0.42 0.00 0.00 0.00 175.76 176.71 1vkx s ILE 537 N -1.41 3.30 -0.44 0.00 1.01 0.15 -4.53 121.20 119.27 1vkx s ILE 537 Ca 0.49 -0.52 -0.16 0.00 0.00 0.00 0.00 60.65 60.46 1vkx s ILE 537 Cb -0.25 -2.49 0.04 0.00 0.01 0.00 0.00 42.46 39.78 1vkx s ILE 537 CO 0.32 0.44 0.38 -0.31 0.00 0.00 0.00 174.94 175.77 1vkx s TYR 538 N 1.32 3.22 0.04 3.97 2.02 -0.20 -0.59 117.35 127.14 1vkx s TYR 538 Ca 0.04 -0.70 -0.38 0.00 -0.37 0.00 0.00 57.07 55.66 1vkx s TYR 538 Cb -0.14 -2.93 -0.19 0.00 -0.40 0.00 0.00 41.96 38.30 1vkx s TYR 538 CO -0.03 -0.72 0.99 -3.47 -1.57 0.00 0.00 175.55 170.76 1vkx n ASP 539 N 5.30 -0.10 0.21 2.29 -0.08 0.92 -4.31 116.55 120.77 1vkx n ASP 539 Ca -0.11 1.15 0.14 0.00 -1.51 0.00 0.00 54.79 54.47 1vkx n ASP 539 Cb 0.46 -0.95 0.46 0.00 2.34 0.00 0.00 41.12 43.43 1vkx n ASP 539 CO 0.00 0.00 0.00 -1.28 0.12 0.00 0.00 177.20 176.04 1vkx h SER 540 N 2.75 0.00 1.06 1.67 0.87 -1.77 -3.28 113.55 114.86 1vkx h SER 540 Ca -0.47 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 1vkx h SER 540 Cb 1.42 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.38 1vkx h SER 540 CO 0.64 0.00 -0.90 0.50 -0.53 0.00 0.00 176.83 176.54 1vkx h LYS 541 N 0.00 0.00 -6.49 2.24 3.64 -1.87 -3.40 116.57 110.68 1vkx h LYS 541 Ca 0.00 0.00 -0.55 0.00 -1.27 0.00 0.00 60.65 58.83 1vkx h LYS 541 Cb 0.66 0.00 0.04 0.00 -0.41 0.00 0.00 32.23 32.52 1vkx h LYS 541 CO 0.00 0.00 1.03 0.00 -2.27 0.00 0.00 179.45 178.21 1vkx n ALA 542 N -2.15 1.90 -0.05 5.00 0.00 -1.24 -4.79 120.51 119.17 1vkx n ALA 542 Ca 0.01 0.35 0.21 0.00 0.00 0.00 0.00 53.44 54.01 1vkx n ALA 542 Cb 0.54 -2.52 0.68 0.00 0.00 0.00 0.00 19.45 18.15 1vkx n ALA 542 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1vkx h PRO 543 N 7.84 0.04 0.00 0.00 0.13 -1.93 0.61 132.00 138.69 1vkx h PRO 543 Ca -0.46 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1vkx h PRO 543 Cb 1.23 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1vkx h PRO 543 CO 0.94 0.03 0.00 -2.95 -0.23 0.00 0.00 178.00 175.78 1vkx h ASN 544 N 0.04 0.00 -0.19 1.44 7.08 -1.93 -3.22 115.58 118.80 1vkx h ASN 544 Ca 0.30 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.52 1vkx h ASN 544 Cb 1.14 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.38 1vkx h ASN 544 CO -0.02 0.00 0.00 0.00 -2.08 0.00 0.00 177.43 175.33 1vkx n ALA 545 N -1.99 2.43 -1.58 4.14 0.00 0.21 -5.03 120.51 118.68 1vkx n ALA 545 Ca 0.02 -0.82 -0.40 0.00 0.00 0.00 0.00 53.44 52.24 1vkx n ALA 545 Cb 0.34 -0.71 0.03 0.00 0.00 0.00 0.00 19.45 19.10 1vkx n ALA 545 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1vkx n SER 546 N 1.19 0.61 -4.47 0.00 2.88 -1.12 -4.88 113.62 107.83 1vkx n SER 546 Ca 0.14 0.90 -0.43 0.00 -1.33 0.00 0.00 58.87 58.15 1vkx n SER 546 Cb 0.52 -1.32 -0.03 0.00 -0.75 0.00 0.00 64.21 62.63 1vkx n SER 546 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1vkx s ASN 547 N -0.98 6.61 -0.40 -3.46 -0.87 -1.26 -4.97 114.94 109.61 1vkx s ASN 547 Ca 0.68 -1.96 -0.45 0.00 -1.57 0.00 0.00 52.86 49.56 1vkx s ASN 547 Cb -0.49 -2.42 -0.19 0.00 -0.02 0.00 0.00 41.25 38.12 1vkx s ASN 547 CO 0.53 -1.13 1.54 0.18 -2.57 0.00 0.00 177.10 175.66 1vkx n LEU 548 N 6.89 1.19 -3.99 0.60 4.32 -1.26 -4.92 117.00 119.82 1vkx n LEU 548 Ca 0.25 1.17 -0.14 0.00 -0.02 0.00 0.00 56.01 57.27 1vkx n LEU 548 Cb 0.49 -0.92 -0.13 0.00 -1.62 0.00 0.00 43.42 41.24 1vkx n LEU 548 CO 0.53 -0.94 -0.40 -0.75 -1.22 0.00 0.00 177.39 174.61 1vkx s LYS 549 N 2.63 0.42 -0.47 3.23 2.20 -1.26 -4.56 119.74 121.92 1vkx s LYS 549 Ca 1.02 -0.39 -0.13 0.00 -0.36 0.00 0.00 55.97 56.10 1vkx s LYS 549 Cb -1.41 -0.31 0.09 0.00 -1.51 0.00 0.00 37.83 34.68 1vkx s LYS 549 CO 0.76 0.07 0.37 0.42 -0.36 0.00 0.00 175.35 176.61 1vkx s ILE 550 N -0.62 4.87 -0.05 5.43 -1.09 -1.26 -3.33 121.20 125.14 1vkx s ILE 550 Ca -0.03 -1.28 -0.23 0.00 -2.23 0.00 0.00 60.65 56.89 1vkx s ILE 550 Cb -0.05 -3.98 -0.29 0.00 -1.58 0.00 0.00 42.46 36.56 1vkx s ILE 550 CO -0.00 -0.61 0.91 0.58 -1.23 0.00 0.00 174.94 174.59 1vkx h VAL 551 N 5.89 1.54 -3.58 2.92 2.07 -1.54 -3.49 116.25 120.05 1vkx h VAL 551 Ca -0.27 -2.43 -0.05 0.00 0.82 0.00 0.00 66.70 64.77 1vkx h VAL 551 Cb 1.10 3.13 -0.10 0.00 -1.52 0.00 0.00 31.29 33.90 1vkx h VAL 551 CO 0.87 0.68 -0.10 -0.60 0.02 0.00 0.00 177.57 178.43 1vkx s ARG 552 N -2.54 1.44 -0.16 1.57 3.52 -0.76 -4.99 118.95 117.03 1vkx s ARG 552 Ca -0.14 -1.13 -0.16 0.00 -0.13 0.00 0.00 55.73 54.17 1vkx s ARG 552 Cb 0.01 0.47 0.04 0.00 -1.56 0.00 0.00 34.95 33.91 1vkx s ARG 552 CO 0.81 -0.60 0.45 -1.64 -0.81 0.00 0.00 175.30 173.52 1vkx s MET 553 N -3.97 0.55 0.00 5.12 -1.94 -1.26 -1.91 119.30 115.89 1vkx s MET 553 Ca 0.18 0.59 0.00 0.00 -1.71 0.00 0.00 55.69 54.75 1vkx s MET 553 Cb -0.00 0.27 0.00 0.00 2.01 0.00 0.00 34.83 37.10 1vkx s MET 553 CO 0.04 -0.07 0.62 -3.47 -0.01 0.00 0.00 175.02 172.12 1vkx n ASP 554 N 2.72 0.00 -4.63 3.03 2.03 -0.15 -4.76 116.55 114.80 1vkx n ASP 554 Ca -0.14 0.62 -0.34 0.00 0.52 0.00 0.00 54.79 55.44 1vkx n ASP 554 Cb 0.57 -0.12 -0.10 0.00 -0.72 0.00 0.00 41.12 40.75 1vkx n ASP 554 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1vkx s ARG 555 N -1.46 3.05 -0.02 -0.67 0.52 -1.26 -4.98 118.95 114.13 1vkx s ARG 555 Ca 0.00 -0.46 0.02 0.00 -0.52 0.00 0.00 55.73 54.78 1vkx s ARG 555 Cb 0.00 -2.77 -0.25 0.00 0.52 0.00 0.00 34.95 32.45 1vkx s ARG 555 CO 0.00 0.61 0.75 1.15 0.02 0.00 0.00 175.30 177.83 1vkx h THR 556 N 4.35 1.01 -1.49 0.02 2.02 -1.91 -3.47 112.91 113.44 1vkx h THR 556 Ca -0.47 -2.75 -0.51 0.00 0.77 0.00 0.00 66.41 63.45 1vkx h THR 556 Cb 1.19 2.61 -0.04 0.00 -1.74 0.00 0.00 68.15 70.16 1vkx h THR 556 CO 0.56 0.74 -0.40 0.00 0.37 0.00 0.00 175.52 176.79 1vkx s ALA 557 N -2.61 3.98 -0.17 6.16 0.00 -1.26 -2.65 121.76 125.21 1vkx s ALA 557 Ca -0.09 -1.91 -0.34 0.00 0.00 0.00 0.00 51.96 49.61 1vkx s ALA 557 Cb 0.07 -0.87 0.13 0.00 0.00 0.00 0.00 23.12 22.46 1vkx s ALA 557 CO 0.83 -0.23 1.18 0.20 0.00 0.00 0.00 175.76 177.74 1vkx s GLY 558 N -4.09 -0.31 0.76 0.00 0.00 -1.20 -4.86 107.32 97.62 1vkx s GLY 558 Ca 0.46 1.51 -0.11 0.00 0.00 0.00 0.00 44.72 46.59 1vkx s GLY 558 CO 0.26 0.50 1.08 0.00 0.00 0.00 0.00 173.10 174.95 1vkx h VAL 560 N -1.03 0.86 0.00 0.00 2.07 -1.67 -3.32 116.25 113.16 1vkx h VAL 560 Ca -0.45 -2.01 0.00 0.00 0.82 0.00 0.00 66.70 65.06 1vkx h VAL 560 Cb 1.23 2.28 0.00 0.00 -1.52 0.00 0.00 31.29 33.28 1vkx h VAL 560 CO 0.54 0.46 0.00 0.35 0.02 0.00 0.00 177.57 178.94 1vkx n THR 561 N -3.30 0.00 -4.82 2.57 -2.24 -1.26 -3.00 114.28 102.22 1vkx n THR 561 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1vkx n THR 561 Cb 0.67 -0.95 0.00 0.00 -2.10 0.00 0.00 70.33 67.94 1vkx n THR 561 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1vkx n GLY 562 N -0.84 0.21 4.09 3.38 0.00 -1.25 -4.84 105.19 105.94 1vkx n GLY 562 Ca 0.00 -0.95 -0.27 0.00 0.00 0.00 0.00 46.02 44.80 1vkx n GLY 562 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vkx n GLY 563 N 0.00 -0.11 3.44 -0.02 0.00 -0.41 -4.76 105.19 103.33 1vkx n GLY 563 Ca 0.00 0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 1vkx n GLY 563 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1vkx s GLU 564 N -6.82 3.44 0.17 1.61 2.02 -1.26 -4.72 118.70 113.14 1vkx s GLU 564 Ca 0.01 -0.61 -0.30 0.00 0.02 0.00 0.00 54.97 54.09 1vkx s GLU 564 Cb -0.01 -2.73 -0.08 0.00 0.10 0.00 0.00 34.13 31.41 1vkx s GLU 564 CO 0.87 0.27 1.21 -2.00 0.02 0.00 0.00 175.26 175.63 1vkx s GLU 565 N 0.25 4.48 0.04 1.61 2.12 -1.26 0.75 118.70 126.68 1vkx s GLU 565 Ca -0.06 1.88 0.03 0.00 0.36 0.00 0.00 54.97 57.18 1vkx s GLU 565 Cb -0.15 -3.25 -0.02 0.00 0.26 0.00 0.00 34.13 30.97 1vkx s GLU 565 CO 0.04 -0.12 -0.09 0.42 -0.54 0.00 0.00 175.26 174.97 1vkx s ILE 566 N 0.07 0.65 -0.38 -3.70 -1.09 0.31 -4.88 121.20 112.18 1vkx s ILE 566 Ca 0.54 -1.04 -0.03 0.00 -2.23 0.00 0.00 60.65 57.89 1vkx s ILE 566 Cb -0.33 -0.68 0.09 0.00 -1.58 0.00 0.00 42.46 39.97 1vkx s ILE 566 CO 0.36 -0.29 0.16 -0.31 -1.23 0.00 0.00 174.94 173.63 1vkx s TYR 567 N -1.22 3.50 -0.57 3.97 1.51 -1.26 -2.27 117.35 121.01 1vkx s TYR 567 Ca -0.07 -2.22 -0.10 0.00 -1.01 0.00 0.00 57.07 53.67 1vkx s TYR 567 Cb -0.09 -2.94 0.14 0.00 -0.11 0.00 0.00 41.96 38.96 1vkx s TYR 567 CO 0.01 -0.92 0.45 -1.17 -1.11 0.00 0.00 175.55 172.81 1vkx s LEU 568 N 1.19 5.88 -0.67 -1.29 2.96 -1.04 -0.98 118.68 124.73 1vkx s LEU 568 Ca 0.05 -2.18 -0.27 0.00 -0.22 0.00 0.00 54.13 51.51 1vkx s LEU 568 Cb -0.22 -2.05 0.01 0.00 0.50 0.00 0.00 46.19 44.43 1vkx s LEU 568 CO -0.03 -0.64 1.51 -0.76 -1.32 0.00 0.00 176.35 175.10 1vkx s LEU 569 N 0.96 3.23 0.00 -0.68 1.43 -0.80 -3.17 118.68 119.66 1vkx s LEU 569 Ca 0.09 -0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.11 1vkx s LEU 569 Cb -0.23 -2.61 0.00 0.00 0.03 0.00 0.00 46.19 43.38 1vkx s LEU 569 CO -0.02 -2.02 0.00 0.00 0.23 0.00 0.00 176.35 174.54 1vkx s ASP 571 N -1.00 -0.15 0.00 0.00 1.11 -1.21 -4.52 116.67 110.90 1vkx s ASP 571 Ca 0.00 0.69 0.00 0.00 0.18 0.00 0.00 52.55 53.42 1vkx s ASP 571 Cb 0.00 0.69 0.00 0.00 1.07 0.00 0.00 42.92 44.68 1vkx s ASP 571 CO 0.00 -0.20 0.00 1.17 1.18 0.00 0.00 175.17 177.32 1vkx n LYS 572 N 4.69 0.00 -2.98 8.23 3.00 -1.23 -4.58 118.16 125.29 1vkx n LYS 572 Ca -0.17 0.00 -0.19 0.00 -0.00 0.00 0.00 58.31 57.94 1vkx n LYS 572 Cb 0.52 0.00 0.02 0.00 0.00 0.00 0.00 35.03 35.57 1vkx n LYS 572 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 1vkx s VAL 573 N -1.33 3.18 -0.71 3.15 -7.23 0.58 -4.79 120.40 113.24 1vkx s VAL 573 Ca 0.00 -0.85 0.03 0.00 -1.81 0.00 0.00 61.98 59.34 1vkx s VAL 573 Cb 0.00 -3.12 0.17 0.00 0.56 0.00 0.00 36.38 34.00 1vkx s VAL 573 CO 0.00 -0.06 0.52 -1.10 -0.31 0.00 0.00 175.10 174.15 1vkx s GLN 574 N -4.46 2.58 0.00 4.82 -0.21 -1.26 -4.65 119.66 116.47 1vkx s GLN 574 Ca 0.53 -3.15 0.00 0.00 0.02 0.00 0.00 55.36 52.76 1vkx s GLN 574 Cb -0.10 -3.55 0.00 0.00 1.00 0.00 0.00 33.01 30.36 1vkx s GLN 574 CO 0.35 -1.24 0.00 0.36 -2.12 0.00 0.00 175.29 172.63 1vkx n LYS 575 N 2.35 0.00 -0.05 2.91 -0.00 -1.26 0.76 118.16 122.88 1vkx n LYS 575 Ca 0.17 0.00 -0.19 0.00 -0.00 0.00 0.00 58.31 58.29 1vkx n LYS 575 Cb 0.35 0.00 -0.13 0.00 -0.00 0.00 0.00 35.03 35.25 1vkx n LYS 575 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 1vkx h ASP 576 N 0.00 0.15 -0.42 -5.58 3.32 -1.95 -3.38 116.42 108.57 1vkx h ASP 576 Ca 0.00 -0.81 -0.27 0.00 0.02 0.00 0.00 57.03 55.98 1vkx h ASP 576 Cb 0.00 -0.05 -0.10 0.00 0.22 0.00 0.00 39.33 39.40 1vkx h ASP 576 CO 0.00 1.36 0.16 -0.67 -1.72 0.00 0.00 179.24 178.37 1vkx n ASP 577 N -4.31 5.98 -3.99 6.45 2.03 0.23 -4.90 116.55 118.04 1vkx n ASP 577 Ca -0.21 -2.84 -0.08 0.00 0.52 0.00 0.00 54.79 52.17 1vkx n ASP 577 Cb 0.70 -1.19 -0.10 0.00 -0.72 0.00 0.00 41.12 39.81 1vkx n ASP 577 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1vkx s ILE 578 N -1.12 0.16 -0.28 5.18 -1.09 -1.25 -2.90 121.20 119.90 1vkx s ILE 578 Ca 0.38 -1.29 -0.16 0.00 -2.23 0.00 0.00 60.65 57.36 1vkx s ILE 578 Cb 0.24 -0.97 0.09 0.00 -1.58 0.00 0.00 42.46 40.24 1vkx s ILE 578 CO -0.06 -0.71 0.71 0.00 -1.23 0.00 0.00 174.94 173.66 1vkx s GLN 579 N -2.82 0.68 0.05 2.79 -2.07 0.61 -4.79 119.66 114.12 1vkx s GLN 579 Ca -0.03 1.18 -0.24 0.00 -1.82 0.00 0.00 55.36 54.45 1vkx s GLN 579 Cb 0.00 0.14 -0.06 0.00 -1.09 0.00 0.00 33.01 32.00 1vkx s GLN 579 CO -0.06 -0.14 0.73 0.42 -1.32 0.00 0.00 175.29 174.92 1vkx s ILE 580 N 1.62 4.71 -0.10 3.63 1.01 -1.26 -0.98 121.20 129.83 1vkx s ILE 580 Ca -0.10 1.56 -0.03 0.00 0.00 0.00 0.00 60.65 62.08 1vkx s ILE 580 Cb -0.05 -4.08 0.04 0.00 0.01 0.00 0.00 42.46 38.38 1vkx s ILE 580 CO -0.20 0.40 0.06 -0.60 0.00 0.00 0.00 174.94 174.60 1vkx s ARG 581 N -0.26 0.14 0.17 2.79 3.52 -0.99 -2.03 118.95 122.29 1vkx s ARG 581 Ca 0.37 0.12 -0.21 0.00 -0.13 0.00 0.00 55.73 55.88 1vkx s ARG 581 Cb -0.20 -1.13 -0.08 0.00 -1.56 0.00 0.00 34.95 31.98 1vkx s ARG 581 CO 0.22 -0.46 0.69 -0.06 -0.81 0.00 0.00 175.30 174.89 1vkx s PHE 582 N 2.10 3.75 -0.06 5.12 0.40 0.52 -1.75 117.98 128.06 1vkx s PHE 582 Ca 0.04 1.40 -0.31 0.00 -0.60 0.00 0.00 56.93 57.46 1vkx s PHE 582 Cb -0.14 -2.61 0.08 0.00 0.51 0.00 0.00 43.02 40.86 1vkx s PHE 582 CO -0.06 0.45 0.71 1.52 0.70 0.00 0.00 175.22 178.54 1vkx s TYR 583 N -1.33 -0.63 -0.21 0.36 1.13 0.90 0.19 117.35 117.77 1vkx s TYR 583 Ca 0.38 1.07 -0.12 0.00 -1.41 0.00 0.00 57.07 56.99 1vkx s TYR 583 Cb -0.19 0.42 0.06 0.00 -1.10 0.00 0.00 41.96 41.15 1vkx s TYR 583 CO 0.22 -0.59 0.51 -2.00 -2.51 0.00 0.00 175.55 171.18 1vkx s GLU 584 N -1.21 0.52 -0.15 -3.49 2.12 0.11 -1.47 118.70 115.12 1vkx s GLU 584 Ca -0.10 0.91 -0.29 0.00 0.36 0.00 0.00 54.97 55.85 1vkx s GLU 584 Cb -0.00 0.07 -0.00 0.00 0.26 0.00 0.00 34.13 34.45 1vkx s GLU 584 CO 0.09 -0.14 1.00 -2.00 -0.54 0.00 0.00 175.26 173.67 1vkx s GLU 585 N 1.31 4.35 -0.94 4.30 2.12 -1.26 0.58 118.70 129.16 1vkx s GLU 585 Ca -0.08 1.34 -0.15 0.00 0.36 0.00 0.00 54.97 56.44 1vkx s GLU 585 Cb -0.07 -3.58 0.19 0.00 0.26 0.00 0.00 34.13 30.94 1vkx s GLU 585 CO -0.13 -0.42 1.01 -1.83 -0.54 0.00 0.00 175.26 173.35 1vkx s GLU 586 N 2.43 3.74 4.40 4.30 1.03 0.57 -4.96 118.70 130.20 1vkx s GLU 586 Ca 0.46 -2.35 0.00 0.00 0.03 0.00 0.00 54.97 53.11 1vkx s GLU 586 Cb -0.17 -4.68 0.00 0.00 -0.80 0.00 0.00 34.13 28.48 1vkx s GLU 586 CO 0.13 -1.50 0.00 0.39 -1.33 0.00 0.00 175.26 172.95 1vkx n GLU 587 N 4.84 0.00 -2.39 -4.83 1.02 -1.26 -4.73 120.64 113.30 1vkx n GLU 587 Ca 0.21 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.93 1vkx n GLU 587 Cb 0.46 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.86 1vkx n GLU 587 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1vkx s ASN 588 N -4.00 6.97 0.89 1.62 2.47 -1.26 -4.83 114.94 116.79 1vkx s ASN 588 Ca 0.00 1.85 0.00 0.00 0.42 0.00 0.00 52.86 55.13 1vkx s ASN 588 Cb 0.00 -2.55 0.00 0.00 -1.45 0.00 0.00 41.25 37.25 1vkx s ASN 588 CO 0.00 -0.68 0.00 0.61 -3.72 0.00 0.00 177.10 173.31 1vkx n GLY 589 N 3.52 0.94 2.06 1.21 0.00 -1.26 -5.00 105.19 106.66 1vkx n GLY 589 Ca 0.13 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.39 1vkx n GLY 589 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vkx n GLY 590 N 0.00 -3.84 3.55 -0.02 0.00 -1.26 -3.67 105.19 99.95 1vkx n GLY 590 Ca 0.00 -0.05 -0.24 0.00 0.00 0.00 0.00 46.02 45.72 1vkx n GLY 590 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vkx s VAL 591 N -0.39 2.60 -0.05 1.61 1.01 -1.26 -0.32 120.40 123.61 1vkx s VAL 591 Ca 0.00 -2.18 0.06 0.00 0.00 0.00 0.00 61.98 59.86 1vkx s VAL 591 Cb 0.00 -2.59 -0.01 0.00 0.00 0.00 0.00 36.38 33.78 1vkx s VAL 591 CO 0.00 -0.30 -0.23 0.86 0.00 0.00 0.00 175.10 175.43 1vkx s TRP 592 N -2.51 2.27 0.03 5.22 -0.00 0.20 -4.83 118.94 119.31 1vkx s TRP 592 Ca 0.32 -0.66 0.04 0.00 -0.00 0.00 0.00 56.10 55.80 1vkx s TRP 592 Cb -0.02 -1.49 -0.02 0.00 -0.00 0.00 0.00 33.47 31.94 1vkx s TRP 592 CO 0.17 -0.20 -0.11 -1.83 -0.00 0.00 0.00 176.95 174.98 1vkx s GLU 593 N -0.14 0.76 0.05 5.86 -1.05 -1.26 0.05 118.70 122.98 1vkx s GLU 593 Ca -0.03 -0.62 0.04 0.00 -0.15 0.00 0.00 54.97 54.21 1vkx s GLU 593 Cb -0.13 -0.71 -0.02 0.00 -0.44 0.00 0.00 34.13 32.82 1vkx s GLU 593 CO 0.03 0.18 -0.12 0.20 0.95 0.00 0.00 175.26 176.50 1vkx s GLY 594 N -0.95 0.71 -0.28 -3.83 0.00 0.51 -4.95 107.32 98.54 1vkx s GLY 594 Ca -0.00 -0.85 0.01 0.00 0.00 0.00 0.00 44.72 43.88 1vkx s GLY 594 CO 0.01 -0.87 0.01 -1.36 0.00 0.00 0.00 173.10 170.88 1vkx s PHE 595 N -1.15 2.52 0.20 1.90 0.08 -1.26 0.19 117.98 120.46 1vkx s PHE 595 Ca -0.03 -2.02 -0.26 0.00 0.12 0.00 0.00 56.93 54.74 1vkx s PHE 595 Cb -0.09 -1.91 -0.16 0.00 -0.57 0.00 0.00 43.02 40.29 1vkx s PHE 595 CO 0.01 -0.84 0.46 0.41 -0.10 0.00 0.00 175.22 175.16 1vkx n GLY 596 N 4.62 -1.70 3.87 4.36 0.00 -0.86 -4.87 105.19 110.61 1vkx n GLY 596 Ca -0.06 0.29 -0.32 0.00 0.00 0.00 0.00 46.02 45.93 1vkx n GLY 596 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1vkx s ASP 597 N -0.93 6.63 0.00 1.61 2.15 -1.01 -4.68 116.67 120.43 1vkx s ASP 597 Ca 0.59 0.88 0.00 0.00 0.43 0.00 0.00 52.55 54.45 1vkx s ASP 597 Cb -0.85 -2.21 0.00 0.00 -0.30 0.00 0.00 42.92 39.56 1vkx s ASP 597 CO 0.53 -0.02 0.00 2.22 -0.17 0.00 0.00 175.17 177.73 1vkx n PHE 598 N 0.06 0.00 -3.63 -5.34 1.16 -1.26 -2.71 117.46 105.75 1vkx n PHE 598 Ca -0.01 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.47 1vkx n PHE 598 Cb 0.52 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.36 1vkx n PHE 598 CO 0.00 0.00 0.00 -1.54 -1.87 0.00 0.00 176.76 173.35 1vkx s SER 599 N -4.00 -0.36 0.43 5.98 1.04 -1.26 -4.93 113.70 110.60 1vkx s SER 599 Ca 0.00 -0.30 0.21 0.00 0.48 0.00 0.00 55.95 56.34 1vkx s SER 599 Cb 0.00 0.58 1.17 0.00 0.10 0.00 0.00 66.02 67.88 1vkx s SER 599 CO 0.00 -1.02 1.81 -0.65 0.98 0.00 0.00 173.24 174.36 1vkx h PRO 600 N 2.14 0.32 -0.36 4.02 0.11 -1.94 2.78 132.00 139.08 1vkx h PRO 600 Ca -0.31 -0.02 0.08 0.00 0.11 0.00 0.00 66.00 65.86 1vkx h PRO 600 Cb 1.28 -0.07 -0.08 0.00 0.11 0.00 0.00 31.00 32.24 1vkx h PRO 600 CO 0.38 0.21 -0.15 1.15 -0.21 0.00 0.00 178.00 179.38 1vkx h THR 601 N 0.33 0.52 0.00 -1.15 2.02 -1.93 0.22 112.91 112.91 1vkx h THR 601 Ca 0.54 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.72 1vkx h THR 601 Cb 1.50 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 68.44 1vkx h THR 601 CO -0.21 0.00 0.00 0.47 0.37 0.00 0.00 175.52 176.15 1vkx n ASP 602 N -5.33 0.00 -4.42 4.18 8.00 0.93 -4.30 116.55 115.61 1vkx n ASP 602 Ca 0.01 0.34 -0.44 0.00 0.71 0.00 0.00 54.79 55.41 1vkx n ASP 602 Cb 0.25 -0.41 -0.03 0.00 -0.02 0.00 0.00 41.12 40.90 1vkx n ASP 602 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1vkx s VAL 603 N -2.82 4.70 -0.44 2.53 1.01 0.76 -1.36 120.40 124.78 1vkx s VAL 603 Ca 0.08 -1.13 -0.29 0.00 0.00 0.00 0.00 61.98 60.65 1vkx s VAL 603 Cb 0.08 -4.65 0.03 0.00 0.00 0.00 0.00 36.38 31.84 1vkx s VAL 603 CO 0.21 -1.35 1.11 -2.28 0.00 0.00 0.00 175.10 172.79 1vkx s HIS 604 N 2.90 2.90 -1.42 5.22 2.46 0.23 -4.31 115.29 123.27 1vkx s HIS 604 Ca 0.22 0.82 -0.02 0.00 0.47 0.00 0.00 55.06 56.55 1vkx s HIS 604 Cb -0.14 -4.23 0.02 0.00 -0.13 0.00 0.00 32.58 28.10 1vkx s HIS 604 CO 0.01 -1.14 0.53 0.54 -2.47 0.00 0.00 174.74 172.21 1vkx n ARG 605 N 7.57 -3.72 0.00 2.88 3.00 -1.26 -2.18 116.66 122.94 1vkx n ARG 605 Ca 0.12 0.45 0.00 0.00 -0.01 0.00 0.00 57.85 58.41 1vkx n ARG 605 Cb 0.48 -4.75 0.00 0.00 0.00 0.00 0.00 32.46 28.19 1vkx n ARG 605 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1vkx n GLN 606 N -4.39 0.00 -0.02 5.56 6.02 -1.26 -4.56 117.38 118.72 1vkx n GLN 606 Ca -0.26 0.00 0.02 0.00 -0.01 0.00 0.00 57.00 56.75 1vkx n GLN 606 Cb 0.66 -3.21 0.03 0.00 1.02 0.00 0.00 30.24 28.74 1vkx n GLN 606 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1vkx n PHE 607 N -1.48 0.00 -3.82 1.08 3.01 -1.17 -0.31 117.46 114.78 1vkx n PHE 607 Ca 0.00 -0.58 -0.13 0.00 1.01 0.00 0.00 57.45 57.75 1vkx n PHE 607 Cb 0.00 -0.07 -0.13 0.00 -0.01 0.00 0.00 39.48 39.27 1vkx n PHE 607 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1vkx s ALA 608 N -1.36 -0.27 -0.04 4.37 0.00 -0.93 -1.34 121.76 122.20 1vkx s ALA 608 Ca 0.07 0.37 0.01 0.00 0.00 0.00 0.00 51.96 52.41 1vkx s ALA 608 Cb 0.06 -0.23 0.02 0.00 0.00 0.00 0.00 23.12 22.98 1vkx s ALA 608 CO 0.01 -0.07 -0.04 0.42 0.00 0.00 0.00 175.76 176.08 1vkx s ILE 609 N 0.24 0.49 -0.28 0.00 1.01 -1.19 0.75 121.20 122.22 1vkx s ILE 609 Ca -0.02 -0.10 -0.06 0.00 0.00 0.00 0.00 60.65 60.48 1vkx s ILE 609 Cb -0.03 -0.52 0.01 0.00 0.01 0.00 0.00 42.46 41.93 1vkx s ILE 609 CO -0.01 0.21 0.05 -0.69 0.00 0.00 0.00 174.94 174.50 1vkx s VAL 610 N 0.91 3.80 0.14 2.92 1.01 -0.47 -2.49 120.40 126.22 1vkx s VAL 610 Ca -0.11 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.24 1vkx s VAL 610 Cb -0.14 -2.91 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 1vkx s VAL 610 CO -0.00 0.16 -0.07 0.72 0.00 0.00 0.00 175.10 175.91 1vkx s PHE 611 N 1.49 1.16 -0.07 5.22 -0.71 -0.96 -4.76 117.98 119.35 1vkx s PHE 611 Ca 0.03 -0.86 -0.03 0.00 -1.04 0.00 0.00 56.93 55.03 1vkx s PHE 611 Cb -0.17 -0.63 -0.04 0.00 -1.21 0.00 0.00 43.02 40.97 1vkx s PHE 611 CO 0.01 -0.05 0.08 0.15 -1.34 0.00 0.00 175.22 174.07 1vkx s LYS 612 N -3.81 3.18 1.14 1.99 1.02 -1.10 0.11 119.74 122.27 1vkx s LYS 612 Ca 0.17 -0.34 -0.14 0.00 0.02 0.00 0.00 55.97 55.69 1vkx s LYS 612 Cb 0.04 -2.96 0.26 0.00 -0.52 0.00 0.00 37.83 34.66 1vkx s LYS 612 CO 0.00 0.71 1.05 0.95 -0.92 0.00 0.00 175.35 177.14 1vkx s THR 613 N -1.05 1.92 0.43 2.17 -4.23 0.23 -2.42 115.64 112.69 1vkx s THR 613 Ca 0.18 0.00 0.07 0.00 -1.18 0.00 0.00 61.69 60.75 1vkx s THR 613 Cb -0.12 -2.25 -0.05 0.00 1.34 0.00 0.00 72.50 71.42 1vkx s THR 613 CO 0.07 0.00 0.16 -2.16 -0.54 0.00 0.00 174.62 172.15 1vkx s PRO 614 N -4.76 2.19 0.22 3.99 0.04 -1.26 -1.29 135.00 134.13 1vkx s PRO 614 Ca 0.68 -1.95 -0.30 0.00 0.04 0.00 0.00 61.00 59.47 1vkx s PRO 614 Cb -0.21 -1.90 -0.09 0.00 0.04 0.00 0.00 34.50 32.34 1vkx s PRO 614 CO 0.61 -0.17 1.20 0.21 0.04 0.00 0.00 177.00 178.89 1vkx s LYS 615 N -3.90 4.50 0.27 4.56 2.20 -1.26 -3.94 119.74 122.16 1vkx s LYS 615 Ca 0.37 1.91 -0.04 0.00 -0.36 0.00 0.00 55.97 57.84 1vkx s LYS 615 Cb 0.04 -3.21 0.06 0.00 -1.51 0.00 0.00 37.83 33.22 1vkx s LYS 615 CO 0.20 -0.04 0.31 0.98 -0.36 0.00 0.00 175.35 176.43 1vkx n TYR 616 N 2.03 -3.71 -0.11 4.03 9.36 -1.16 -4.93 117.16 122.68 1vkx n TYR 616 Ca 0.03 -0.27 -0.04 0.00 3.32 0.00 0.00 57.90 60.93 1vkx n TYR 616 Cb 0.44 -0.26 -0.04 0.00 -0.63 0.00 0.00 39.34 38.85 1vkx n TYR 616 CO 0.00 0.00 0.00 -0.22 0.22 0.00 0.00 176.86 176.86 1vkx h LYS 617 N 0.00 -0.06 -3.62 2.98 3.64 -1.95 -3.41 116.57 114.16 1vkx h LYS 617 Ca -0.10 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 58.96 1vkx h LYS 617 Cb 0.30 0.01 -0.34 0.00 -0.41 0.00 0.00 32.23 31.79 1vkx h LYS 617 CO 0.07 -0.04 -0.74 0.16 -2.27 0.00 0.00 179.45 176.64 1vkx s ASP 618 N -3.74 0.22 0.00 4.20 1.47 -1.26 -5.01 116.67 112.55 1vkx s ASP 618 Ca -0.05 0.01 0.02 0.00 1.18 0.00 0.00 52.55 53.72 1vkx s ASP 618 Cb 0.04 -0.14 0.11 0.00 -0.34 0.00 0.00 42.92 42.59 1vkx s ASP 618 CO 0.22 -0.11 1.04 1.33 0.68 0.00 0.00 175.17 178.33 1vkx n VAL 619 N 4.14 1.69 -3.40 2.11 0.24 -1.26 -4.11 118.33 117.74 1vkx n VAL 619 Ca -0.27 0.42 -0.45 0.00 -2.04 0.00 0.00 64.34 62.00 1vkx n VAL 619 Cb 0.50 -1.38 -0.03 0.00 -1.47 0.00 0.00 33.84 31.46 1vkx n VAL 619 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1vkx s ASN 620 N -2.92 6.52 -0.12 -1.34 0.02 -1.26 -4.50 114.94 111.34 1vkx s ASN 620 Ca 0.01 -2.81 -0.04 0.00 -1.02 0.00 0.00 52.86 49.01 1vkx s ASN 620 Cb 0.02 -2.14 0.06 0.00 0.02 0.00 0.00 41.25 39.20 1vkx s ASN 620 CO 0.04 -0.51 0.13 -0.63 0.02 0.00 0.00 177.10 176.15 1vkx s ILE 621 N -0.01 -0.19 -0.53 0.60 -1.09 -1.26 -5.01 121.20 113.71 1vkx s ILE 621 Ca 0.19 0.13 0.24 0.00 -2.23 0.00 0.00 60.65 58.98 1vkx s ILE 621 Cb -0.12 -0.42 0.26 0.00 -1.58 0.00 0.00 42.46 40.60 1vkx s ILE 621 CO -0.08 -0.04 1.73 0.35 -1.23 0.00 0.00 174.94 175.67 1vkx n THR 622 N 5.31 0.78 -4.52 2.92 -2.24 -1.26 -4.26 114.28 111.01 1vkx n THR 622 Ca -0.05 0.12 -0.22 0.00 -2.27 0.00 0.00 64.05 61.63 1vkx n THR 622 Cb 0.50 -1.04 -0.16 0.00 -2.10 0.00 0.00 70.33 67.53 1vkx n THR 622 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1vkx s LYS 623 N -3.27 1.23 -0.00 -0.78 2.20 -1.26 -4.89 119.74 112.96 1vkx s LYS 623 Ca 0.06 -0.39 -0.39 0.00 -0.36 0.00 0.00 55.97 54.89 1vkx s LYS 623 Cb 0.10 -1.11 -0.19 0.00 -1.51 0.00 0.00 37.83 35.12 1vkx s LYS 623 CO 0.43 0.13 1.23 -0.35 -0.36 0.00 0.00 175.35 176.44 1vkx n PRO 624 N 3.32 0.49 -4.30 4.03 -0.04 -1.26 -4.70 135.00 132.53 1vkx n PRO 624 Ca -0.19 0.18 -0.34 0.00 -0.04 0.00 0.00 63.50 63.11 1vkx n PRO 624 Cb 0.54 -1.74 -0.09 0.00 -0.04 0.00 0.00 33.50 32.17 1vkx n PRO 624 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1vkx s ALA 625 N 0.47 3.34 -0.20 0.55 0.00 -0.28 -4.93 121.76 120.72 1vkx s ALA 625 Ca 0.89 -0.84 0.01 0.00 0.00 0.00 0.00 51.96 52.02 1vkx s ALA 625 Cb -1.15 -1.47 0.04 0.00 0.00 0.00 0.00 23.12 20.53 1vkx s ALA 625 CO 0.55 0.62 -0.14 -1.12 0.00 0.00 0.00 175.76 175.67 1vkx s SER 626 N -1.16 3.42 0.00 0.00 0.01 -1.26 0.38 113.70 115.08 1vkx s SER 626 Ca 0.16 -0.86 0.00 0.00 1.31 0.00 0.00 55.95 56.56 1vkx s SER 626 Cb -0.11 -1.35 0.00 0.00 0.21 0.00 0.00 66.02 64.76 1vkx s SER 626 CO 0.06 -0.10 0.00 1.33 0.41 0.00 0.00 173.24 174.94 1vkx n VAL 627 N 4.63 0.00 -4.08 3.43 0.24 -1.22 -4.94 118.33 116.40 1vkx n VAL 627 Ca -0.17 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.01 1vkx n VAL 627 Cb 0.47 -0.43 -0.11 0.00 -1.47 0.00 0.00 33.84 32.30 1vkx n VAL 627 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1vkx s PHE 628 N 0.90 0.67 0.01 6.34 0.08 -0.54 -2.06 117.98 123.39 1vkx s PHE 628 Ca 0.00 -0.60 0.08 0.00 0.12 0.00 0.00 56.93 56.53 1vkx s PHE 628 Cb 0.00 -0.40 -0.02 0.00 -0.57 0.00 0.00 43.02 42.02 1vkx s PHE 628 CO 0.00 -0.12 -0.25 0.08 -0.10 0.00 0.00 175.22 174.84 1vkx s VAL 629 N -1.90 1.97 -0.11 -0.44 1.01 0.18 -0.07 120.40 121.04 1vkx s VAL 629 Ca -0.06 -1.19 -0.06 0.00 0.00 0.00 0.00 61.98 60.68 1vkx s VAL 629 Cb -0.06 -1.66 0.05 0.00 0.00 0.00 0.00 36.38 34.70 1vkx s VAL 629 CO -0.01 0.44 0.27 0.00 0.00 0.00 0.00 175.10 175.79 1vkx s GLN 630 N -0.88 0.23 0.91 2.72 -2.07 -0.72 -0.67 119.66 119.17 1vkx s GLN 630 Ca 0.10 0.56 -0.10 0.00 -1.82 0.00 0.00 55.36 54.10 1vkx s GLN 630 Cb -0.10 -0.11 0.14 0.00 -1.09 0.00 0.00 33.01 31.86 1vkx s GLN 630 CO 0.00 -0.16 1.14 -1.17 -1.32 0.00 0.00 175.29 173.78 1vkx s LEU 631 N 1.29 2.85 -0.22 2.60 2.96 -1.26 -2.35 118.68 124.54 1vkx s LEU 631 Ca -0.09 2.17 -0.11 0.00 -0.22 0.00 0.00 54.13 55.87 1vkx s LEU 631 Cb -0.10 -4.56 0.07 0.00 0.50 0.00 0.00 46.19 42.10 1vkx s LEU 631 CO -0.09 -3.05 0.53 -0.60 -1.32 0.00 0.00 176.35 171.81 1vkx s ARG 632 N -4.67 0.51 -0.29 1.98 6.06 -0.16 -3.71 118.95 118.67 1vkx s ARG 632 Ca 0.66 1.02 -0.22 0.00 -2.50 0.00 0.00 55.73 54.69 1vkx s ARG 632 Cb -0.22 0.13 -0.01 0.00 0.06 0.00 0.00 34.95 34.91 1vkx s ARG 632 CO 0.58 -0.17 0.73 0.50 -2.50 0.00 0.00 175.30 174.44 1vkx s ARG 633 N 1.72 3.99 0.24 5.12 3.52 -0.45 -0.29 118.95 132.80 1vkx s ARG 633 Ca -0.09 0.55 -0.06 0.00 -0.13 0.00 0.00 55.73 56.00 1vkx s ARG 633 Cb -0.08 -3.71 0.34 0.00 -1.56 0.00 0.00 34.95 29.95 1vkx s ARG 633 CO -0.16 -0.59 1.82 0.87 -0.81 0.00 0.00 175.30 176.43 1vkx h LYS 634 N 8.05 0.81 0.34 5.12 1.57 -1.83 -0.07 116.57 130.57 1vkx h LYS 634 Ca -0.25 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.46 1vkx h LYS 634 Cb 1.11 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.24 1vkx h LYS 634 CO 0.84 0.54 -0.16 0.66 -0.57 0.00 0.00 179.45 180.76 1vkx h SER 635 N 0.84 -0.39 -0.01 0.86 4.64 -1.93 -3.31 113.55 114.25 1vkx h SER 635 Ca 0.37 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 1vkx h SER 635 Cb 0.26 0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1vkx h SER 635 CO -0.21 -0.17 -0.37 -0.90 -0.87 0.00 0.00 176.83 174.31 1vkx n ASP 636 N -5.23 1.72 -0.15 4.97 5.68 -1.24 -4.95 116.55 117.34 1vkx n ASP 636 Ca -0.10 -1.36 -0.02 0.00 -0.50 0.00 0.00 54.79 52.81 1vkx n ASP 636 Cb 0.23 0.47 -0.01 0.00 -1.14 0.00 0.00 41.12 40.68 1vkx n ASP 636 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1vkx n LEU 637 N -0.10 0.30 -4.71 -2.12 4.77 -0.04 -4.95 117.00 110.15 1vkx n LEU 637 Ca 0.07 0.05 -0.42 0.00 -0.03 0.00 0.00 56.01 55.68 1vkx n LEU 637 Cb 0.37 -1.61 -0.03 0.00 -2.33 0.00 0.00 43.42 39.82 1vkx n LEU 637 CO 0.22 -0.55 1.21 -0.70 -1.33 0.00 0.00 177.39 176.25 1vkx s GLU 638 N -1.41 4.23 0.00 3.23 2.56 -1.24 -4.74 118.70 121.33 1vkx s GLU 638 Ca 0.00 2.32 0.00 0.00 0.00 0.00 0.00 54.97 57.29 1vkx s GLU 638 Cb 0.00 -3.21 0.00 0.00 2.00 0.00 0.00 34.13 32.92 1vkx s GLU 638 CO 0.00 -0.59 0.00 0.25 -0.56 0.00 0.00 175.26 174.36 1vkx n THR 639 N 4.04 0.00 -3.58 -1.70 -2.24 -1.26 -1.34 114.28 108.20 1vkx n THR 639 Ca 0.14 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.86 1vkx n THR 639 Cb 0.39 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.60 1vkx n THR 639 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1vkx s SER 640 N -0.38 -0.20 -0.02 3.42 1.04 -1.24 -4.47 113.70 111.84 1vkx s SER 640 Ca 0.00 0.06 -0.35 0.00 0.48 0.00 0.00 55.95 56.14 1vkx s SER 640 Cb 0.00 0.20 -0.14 0.00 0.10 0.00 0.00 66.02 66.18 1vkx s SER 640 CO 0.00 -0.30 1.71 -0.62 0.98 0.00 0.00 173.24 175.01 1vkx n GLU 641 N 0.07 1.89 -2.22 4.02 1.02 -1.26 -4.80 120.64 119.36 1vkx n GLU 641 Ca -0.03 0.69 -0.29 0.00 -0.02 0.00 0.00 57.16 57.51 1vkx n GLU 641 Cb 0.59 -2.46 0.02 0.00 -0.02 0.00 0.00 31.44 29.56 1vkx n GLU 641 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1vkx s PRO 642 N 2.62 3.26 -0.04 3.49 0.04 -1.26 -4.65 135.00 138.46 1vkx s PRO 642 Ca 0.88 0.35 0.04 0.00 0.04 0.00 0.00 61.00 62.31 1vkx s PRO 642 Cb -0.78 -2.20 -0.03 0.00 0.04 0.00 0.00 34.50 31.54 1vkx s PRO 642 CO 0.49 -0.60 -0.14 0.21 0.04 0.00 0.00 177.00 177.00 1vkx s LYS 643 N -5.05 2.47 0.41 4.56 2.47 0.16 -4.94 119.74 119.82 1vkx s LYS 643 Ca 0.53 -0.72 -0.18 0.00 -1.56 0.00 0.00 55.97 54.04 1vkx s LYS 643 Cb -0.11 -2.37 -0.10 0.00 -1.46 0.00 0.00 37.83 33.79 1vkx s LYS 643 CO 0.49 0.61 0.88 -1.25 0.16 0.00 0.00 175.35 176.25 1vkx s PRO 644 N -0.87 4.08 0.34 4.03 0.04 -1.26 0.48 135.00 141.85 1vkx s PRO 644 Ca 0.12 0.91 0.04 0.00 0.04 0.00 0.00 61.00 62.11 1vkx s PRO 644 Cb -0.11 -2.26 -0.06 0.00 0.04 0.00 0.00 34.50 32.12 1vkx s PRO 644 CO 0.02 -0.02 0.06 0.12 0.04 0.00 0.00 177.00 177.22 1vkx s PHE 645 N -2.22 1.96 -0.40 0.56 5.36 -0.87 -4.81 117.98 117.55 1vkx s PHE 645 Ca 0.58 -0.99 0.03 0.00 -0.96 0.00 0.00 56.93 55.60 1vkx s PHE 645 Cb -0.10 -1.29 0.16 0.00 -0.34 0.00 0.00 43.02 41.46 1vkx s PHE 645 CO 0.19 -0.01 0.35 -1.17 -1.46 0.00 0.00 175.22 173.11 1vkx s LEU 646 N -3.52 1.00 -0.81 6.12 0.20 -1.09 -3.39 118.68 117.19 1vkx s LEU 646 Ca 0.34 -2.70 -0.27 0.00 0.69 0.00 0.00 54.13 52.19 1vkx s LEU 646 Cb 0.08 -0.18 -0.27 0.00 -0.43 0.00 0.00 46.19 45.39 1vkx s LEU 646 CO 0.15 -0.19 1.97 -1.22 -0.29 0.00 0.00 176.35 176.77 1vkx n TYR 647 N 3.17 0.67 -1.37 5.38 4.01 1.21 -3.23 117.16 127.01 1vkx n TYR 647 Ca 0.24 -0.24 -0.33 0.00 -0.16 0.00 0.00 57.90 57.42 1vkx n TYR 647 Cb 0.46 -2.14 0.09 0.00 -0.31 0.00 0.00 39.34 37.44 1vkx n TYR 647 CO 0.00 0.00 0.00 1.52 -0.46 0.00 0.00 176.86 177.92 1vkx s TYR 648 N 14.78 2.27 1.09 -0.72 -0.85 -0.52 -1.13 117.35 132.27 1vkx s TYR 648 Ca 0.77 1.61 -0.16 0.00 -0.52 0.00 0.00 57.07 58.77 1vkx s TYR 648 Cb -0.00 -3.26 0.25 0.00 0.38 0.00 0.00 41.96 39.33 1vkx s TYR 648 CO 0.22 -2.18 0.57 -2.30 -1.52 0.00 0.00 175.55 170.35 1vkx n PRO 649 N -3.06 -2.88 0.00 -3.49 -0.02 -1.26 -2.45 135.00 121.83 1vkx n PRO 649 Ca 0.11 -0.96 0.13 0.00 -2.02 0.00 0.00 63.50 60.76 1vkx n PRO 649 Cb 0.52 -1.48 0.21 0.00 -0.02 0.00 0.00 33.50 32.73 1vkx n PRO 649 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57