#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vkr s HIS 376 N 0.00 2.92 -0.26 1.43 3.76 -1.26 -5.07 115.29 116.80 1vkr s HIS 376 Ca 0.00 -0.62 -0.29 0.00 -0.15 0.00 0.00 55.06 54.01 1vkr s HIS 376 Cb 0.00 -1.95 -0.03 0.00 1.11 0.00 0.00 32.58 31.71 1vkr s HIS 376 CO 0.00 -0.25 1.79 0.08 -0.85 0.00 0.00 174.74 175.52 1vkr s VAL 377 N 0.66 3.47 0.00 -0.90 1.01 -1.26 -4.69 120.40 118.69 1vkr s VAL 377 Ca -0.04 0.50 0.00 0.00 0.00 0.00 0.00 61.98 62.44 1vkr s VAL 377 Cb -0.15 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.67 1vkr s VAL 377 CO 0.02 -0.31 0.00 -2.11 0.00 0.00 0.00 175.10 172.71 1vkr n ARG 378 N 8.17 0.00 -4.10 2.72 1.85 -1.26 -5.00 116.66 119.04 1vkr n ARG 378 Ca 0.22 0.00 -0.34 0.00 -1.00 0.00 0.00 57.85 56.73 1vkr n ARG 378 Cb 0.46 -0.29 -0.14 0.00 -1.05 0.00 0.00 32.46 31.44 1vkr n ARG 378 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 1vkr s LYS 379 N 0.00 3.38 -0.10 2.89 2.20 -1.26 -1.14 119.74 125.71 1vkr s LYS 379 Ca 0.00 -0.64 0.02 0.00 -0.36 0.00 0.00 55.97 54.99 1vkr s LYS 379 Cb 0.00 -2.91 0.01 0.00 -1.51 0.00 0.00 37.83 33.42 1vkr s LYS 379 CO 0.00 -0.10 -0.16 0.42 -0.36 0.00 0.00 175.35 175.15 1vkr s ILE 380 N 1.20 1.52 -0.01 5.43 1.01 -1.00 -1.47 121.20 127.88 1vkr s ILE 380 Ca 0.02 -0.67 0.02 0.00 0.00 0.00 0.00 60.65 60.02 1vkr s ILE 380 Cb -0.14 -1.38 0.00 0.00 0.01 0.00 0.00 42.46 40.95 1vkr s ILE 380 CO -0.02 0.44 -0.06 -0.51 0.00 0.00 0.00 174.94 174.80 1vkr s ILE 381 N 0.85 0.51 -0.16 2.92 2.07 -0.98 -2.68 121.20 123.74 1vkr s ILE 381 Ca -0.09 -0.23 -0.06 0.00 -1.41 0.00 0.00 60.65 58.85 1vkr s ILE 381 Cb -0.15 -0.46 -0.04 0.00 0.13 0.00 0.00 42.46 41.94 1vkr s ILE 381 CO 0.01 0.17 0.03 -0.69 -1.91 0.00 0.00 174.94 172.55 1vkr s VAL 382 N 0.13 4.54 0.02 4.00 1.01 -0.98 -1.37 120.40 127.77 1vkr s VAL 382 Ca -0.01 -0.13 0.02 0.00 0.00 0.00 0.00 61.98 61.86 1vkr s VAL 382 Cb -0.06 -3.02 -0.01 0.00 0.00 0.00 0.00 36.38 33.29 1vkr s VAL 382 CO -0.00 0.49 -0.08 0.00 0.00 0.00 0.00 175.10 175.51 1vkr s ALA 383 N 0.19 0.61 0.33 5.51 0.00 -0.92 -2.06 121.76 125.42 1vkr s ALA 383 Ca 0.03 -0.53 -0.01 0.00 0.00 0.00 0.00 51.96 51.44 1vkr s ALA 383 Cb -0.13 -0.06 -0.00 0.00 0.00 0.00 0.00 23.12 22.93 1vkr s ALA 383 CO 0.01 0.08 0.43 0.00 0.00 0.00 0.00 175.76 176.28 1vkr h ASP 385 N 2.14 0.00 0.47 0.00 2.03 -1.97 -2.51 116.42 116.57 1vkr h ASP 385 Ca -0.28 0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 55.97 1vkr h ASP 385 Cb 1.24 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.73 1vkr h ASP 385 CO 0.39 0.15 -1.58 0.00 -1.03 0.00 0.00 179.24 177.16 1vkr n ALA 386 N -2.20 2.47 -1.53 4.15 0.00 -1.26 -4.84 120.51 117.29 1vkr n ALA 386 Ca -0.00 -0.48 -0.18 0.00 0.00 0.00 0.00 53.44 52.77 1vkr n ALA 386 Cb 0.35 -0.87 -0.08 0.00 0.00 0.00 0.00 19.45 18.85 1vkr n ALA 386 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vkr n GLY 387 N 1.29 1.76 2.03 0.00 0.00 -1.09 -4.58 105.19 104.60 1vkr n GLY 387 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1vkr n GLY 387 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1vkr n MET 388 N -2.03 0.00 0.00 1.61 0.00 -1.26 -4.43 117.12 111.01 1vkr n MET 388 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.52 1vkr n MET 388 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.87 1vkr n MET 388 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1vkr n GLY 389 N 0.14 0.00 0.17 -5.12 0.00 -1.26 -0.38 105.19 98.73 1vkr n GLY 389 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1vkr n GLY 389 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1vkr h SER 390 N 0.00 0.00 -0.82 1.61 4.64 -1.98 -2.48 113.55 114.52 1vkr h SER 390 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1vkr h SER 390 Cb 0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.05 1vkr h SER 390 CO 0.00 0.00 0.50 0.28 -0.87 0.00 0.00 176.83 176.74 1vkr h SER 391 N 0.00 0.97 -0.09 4.97 0.02 -1.73 -2.67 113.55 115.02 1vkr h SER 391 Ca 0.00 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.89 1vkr h SER 391 Cb 0.12 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.41 1vkr h SER 391 CO 0.00 0.74 0.03 0.00 -1.14 0.00 0.00 176.83 176.45 1vkr h ALA 392 N 1.27 0.11 -0.26 3.77 0.00 -0.22 -2.68 119.26 121.26 1vkr h ALA 392 Ca 0.29 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1vkr h ALA 392 Cb -0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1vkr h ALA 392 CO -0.06 -0.28 0.02 0.52 0.00 0.00 0.00 179.25 179.46 1vkr h MET 393 N -0.05 0.44 -0.34 0.00 2.86 -1.70 -2.08 114.93 114.07 1vkr h MET 393 Ca 0.03 -0.13 0.03 0.00 -2.06 0.00 0.00 59.70 57.57 1vkr h MET 393 Cb 0.21 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.79 1vkr h MET 393 CO -0.00 0.58 0.15 0.78 1.06 0.00 0.00 176.91 179.48 1vkr h GLY 394 N 0.23 0.44 0.99 8.32 0.00 -1.53 -2.09 103.07 109.44 1vkr h GLY 394 Ca 0.08 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1vkr h GLY 394 CO 0.01 0.06 0.14 0.00 0.00 0.00 0.00 176.54 176.75 1vkr h ALA 395 N 1.19 0.27 -0.07 3.60 0.00 -1.44 -2.28 119.26 120.54 1vkr h ALA 395 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1vkr h ALA 395 Cb 0.09 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1vkr h ALA 395 CO -0.12 -0.26 0.05 0.78 0.00 0.00 0.00 179.25 179.70 1vkr h GLY 396 N 0.29 0.10 0.86 0.00 0.00 -1.10 0.34 103.07 103.57 1vkr h GLY 396 Ca 0.08 -0.04 -0.00 0.00 0.00 0.00 0.00 47.33 47.37 1vkr h GLY 396 CO -0.02 0.04 0.03 -2.08 0.00 0.00 0.00 176.54 174.50 1vkr h VAL 397 N 0.10 1.13 -0.57 4.60 2.07 -1.36 -1.13 116.25 121.09 1vkr h VAL 397 Ca 0.03 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1vkr h VAL 397 Cb -0.01 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 1vkr h VAL 397 CO -0.01 0.11 0.35 -0.07 0.02 0.00 0.00 177.57 177.98 1vkr h LEU 398 N -0.05 0.67 -0.46 2.57 3.38 -1.36 -2.03 115.31 118.03 1vkr h LEU 398 Ca 0.02 -0.04 0.04 0.00 0.09 0.00 0.00 57.88 57.99 1vkr h LEU 398 Cb 0.16 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 1vkr h LEU 398 CO -0.00 0.51 0.21 -0.09 0.09 0.00 0.00 178.44 179.16 1vkr h ARG 399 N 0.76 0.41 -0.46 1.13 2.43 -0.78 -1.19 114.38 116.70 1vkr h ARG 399 Ca 0.20 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.34 1vkr h ARG 399 Cb -0.04 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.39 1vkr h ARG 399 CO -0.04 0.27 0.25 -0.22 -1.51 0.00 0.00 179.97 178.72 1vkr h LYS 400 N 0.42 0.64 -0.70 0.20 3.64 -0.81 -1.28 116.57 118.69 1vkr h LYS 400 Ca 0.21 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.49 1vkr h LYS 400 Cb 0.14 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 1vkr h LYS 400 CO -0.16 0.51 0.35 0.87 -2.27 0.00 0.00 179.45 178.74 1vkr h LYS 401 N 0.60 1.01 -0.44 1.90 1.57 -1.00 -0.13 116.57 120.07 1vkr h LYS 401 Ca 0.16 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1vkr h LYS 401 Cb 0.06 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 1vkr h LYS 401 CO -0.03 0.78 0.20 0.82 -0.57 0.00 0.00 179.45 180.66 1vkr h ILE 402 N 0.98 1.19 -0.65 1.86 2.04 -0.94 -1.09 117.51 120.90 1vkr h ILE 402 Ca 0.24 -0.55 -0.08 0.00 1.00 0.00 0.00 64.86 65.47 1vkr h ILE 402 Cb 0.10 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 1vkr h ILE 402 CO -0.03 0.21 0.09 1.56 0.00 0.00 0.00 178.15 179.97 1vkr h GLN 403 N 0.57 1.08 -0.64 2.37 1.08 -0.99 -2.47 115.11 116.12 1vkr h GLN 403 Ca 0.15 -0.29 -0.02 0.00 -1.45 0.00 0.00 58.65 57.04 1vkr h GLN 403 Cb 0.14 -0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 27.42 1vkr h GLN 403 CO -0.02 1.00 0.31 -0.44 -0.95 0.00 0.00 178.83 178.74 1vkr h ASP 404 N 1.01 0.82 0.00 1.46 3.32 -0.70 -1.44 116.42 120.88 1vkr h ASP 404 Ca 0.20 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1vkr h ASP 404 Cb 0.46 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1vkr h ASP 404 CO 0.02 0.69 0.00 0.00 -1.72 0.00 0.00 179.24 178.22 1vkr n ALA 405 N -2.44 2.27 -1.42 3.45 0.00 -0.44 -4.83 120.51 117.10 1vkr n ALA 405 Ca 0.06 -0.12 -0.05 0.00 0.00 0.00 0.00 53.44 53.33 1vkr n ALA 405 Cb 0.13 -1.32 -0.02 0.00 0.00 0.00 0.00 19.45 18.24 1vkr n ALA 405 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vkr n GLY 406 N 0.30 0.60 2.66 0.00 0.00 -0.54 -4.94 105.19 103.27 1vkr n GLY 406 Ca 0.15 -0.78 -0.41 0.00 0.00 0.00 0.00 46.02 44.97 1vkr n GLY 406 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1vkr n LEU 407 N -0.63 7.36 0.19 0.99 4.77 -0.98 -4.72 117.00 123.96 1vkr n LEU 407 Ca -0.05 -5.28 0.13 0.00 -0.03 0.00 0.00 56.01 50.77 1vkr n LEU 407 Cb 0.28 -1.22 0.67 0.00 -2.33 0.00 0.00 43.42 40.82 1vkr n LEU 407 CO 0.08 2.00 0.88 0.77 -1.33 0.00 0.00 177.39 179.79 1vkr h SER 408 N 4.43 0.00 1.42 -1.43 4.64 -1.87 -0.72 113.55 120.02 1vkr h SER 408 Ca 0.53 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.81 1vkr h SER 408 Cb 0.35 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.44 1vkr h SER 408 CO 1.25 0.00 -0.18 1.56 -0.87 0.00 0.00 176.83 178.60 1vkr h GLN 409 N 0.00 0.00 -6.10 4.77 4.20 -1.96 -3.43 115.11 112.59 1vkr h GLN 409 Ca 0.00 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 58.15 1vkr h GLN 409 Cb 0.04 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.77 1vkr h GLN 409 CO 0.00 0.18 0.03 0.42 -0.67 0.00 0.00 178.83 178.78 1vkr s ILE 410 N -3.35 4.91 0.02 2.54 1.01 -0.28 -4.92 121.20 121.13 1vkr s ILE 410 Ca 0.04 1.33 0.03 0.00 0.00 0.00 0.00 60.65 62.04 1vkr s ILE 410 Cb 0.08 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 38.54 1vkr s ILE 410 CO 0.66 0.38 -0.01 -0.55 0.00 0.00 0.00 174.94 175.42 1vkr s SER 411 N -0.00 5.02 -0.06 3.58 0.15 -0.29 -4.98 113.70 117.13 1vkr s SER 411 Ca 0.33 -0.07 0.01 0.00 0.70 0.00 0.00 55.95 56.93 1vkr s SER 411 Cb -0.18 -1.27 0.02 0.00 -1.71 0.00 0.00 66.02 62.88 1vkr s SER 411 CO 0.18 0.26 -0.08 -0.69 1.20 0.00 0.00 173.24 174.10 1vkr s VAL 412 N -1.13 0.85 0.27 4.45 1.01 -1.26 -2.36 120.40 122.23 1vkr s VAL 412 Ca 0.21 -0.30 -0.07 0.00 0.00 0.00 0.00 61.98 61.82 1vkr s VAL 412 Cb -0.11 -0.82 -0.01 0.00 0.00 0.00 0.00 36.38 35.43 1vkr s VAL 412 CO 0.12 0.30 0.39 0.42 0.00 0.00 0.00 175.10 176.33 1vkr s THR 413 N 0.87 0.00 0.05 3.92 -4.23 -1.09 -5.05 115.64 110.10 1vkr s THR 413 Ca -0.11 -1.62 0.02 0.00 -1.18 0.00 0.00 61.69 58.80 1vkr s THR 413 Cb -0.15 -2.41 -0.03 0.00 1.34 0.00 0.00 72.50 71.25 1vkr s THR 413 CO 0.01 0.00 -0.07 0.54 -0.54 0.00 0.00 174.62 174.56 1vkr s ASN 414 N -3.13 0.88 0.10 3.99 2.20 -1.26 -2.31 114.94 115.41 1vkr s ASN 414 Ca 0.29 -0.65 -0.26 0.00 -0.94 0.00 0.00 52.86 51.30 1vkr s ASN 414 Cb 0.01 0.05 0.08 0.00 -2.00 0.00 0.00 41.25 39.39 1vkr s ASN 414 CO 0.14 -0.27 0.90 -0.55 -2.94 0.00 0.00 177.10 174.37 1vkr s SER 415 N -1.90 -0.28 0.70 3.54 0.15 -0.88 -4.95 113.70 110.08 1vkr s SER 415 Ca -0.06 -0.22 -0.15 0.00 0.70 0.00 0.00 55.95 56.22 1vkr s SER 415 Cb -0.07 0.46 0.02 0.00 -1.71 0.00 0.00 66.02 64.73 1vkr s SER 415 CO -0.01 -0.81 1.18 0.00 1.20 0.00 0.00 173.24 174.80 1vkr s ALA 416 N -3.28 2.26 0.22 5.45 0.00 -1.26 -3.92 121.76 121.23 1vkr s ALA 416 Ca 0.09 0.80 -0.09 0.00 0.00 0.00 0.00 51.96 52.76 1vkr s ALA 416 Cb -0.01 -3.43 0.22 0.00 0.00 0.00 0.00 23.12 19.90 1vkr s ALA 416 CO -0.03 -1.64 1.87 0.82 0.00 0.00 0.00 175.76 176.79 1vkr h ILE 417 N -0.08 1.15 0.00 0.00 2.04 -1.78 0.83 117.51 119.67 1vkr h ILE 417 Ca -0.48 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.03 1vkr h ILE 417 Cb 1.28 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.39 1vkr h ILE 417 CO 0.51 0.19 0.26 0.78 0.00 0.00 0.00 178.15 179.89 1vkr h ASN 418 N 1.03 0.00 -3.77 1.72 -0.26 -1.91 -3.30 115.58 109.09 1vkr h ASN 418 Ca 0.31 0.00 -0.65 0.00 -0.56 0.00 0.00 56.30 55.40 1vkr h ASN 418 Cb -0.03 0.00 -0.40 0.00 -1.06 0.00 0.00 38.32 36.83 1vkr h ASN 418 CO -0.10 0.00 -0.71 0.20 -1.06 0.00 0.00 177.43 175.76 1vkr s ASN 419 N -4.43 4.60 -0.13 5.81 0.01 0.29 -5.05 114.94 116.02 1vkr s ASN 419 Ca -0.03 -2.29 -0.04 0.00 -0.71 0.00 0.00 52.86 49.79 1vkr s ASN 419 Cb 0.09 -1.55 0.05 0.00 0.41 0.00 0.00 41.25 40.25 1vkr s ASN 419 CO 0.28 -0.35 0.08 -0.76 -1.51 0.00 0.00 177.10 174.83 1vkr s LEU 420 N 0.72 0.32 0.33 0.60 1.43 -1.25 -4.34 118.68 116.50 1vkr s LEU 420 Ca 0.12 -0.43 -0.29 0.00 -1.03 0.00 0.00 54.13 52.50 1vkr s LEU 420 Cb -0.20 -0.23 -0.11 0.00 0.03 0.00 0.00 46.19 45.68 1vkr s LEU 420 CO -0.08 -0.32 1.57 -0.81 0.23 0.00 0.00 176.35 176.95 1vkr n PRO 421 N 5.28 2.74 0.26 1.29 -0.04 -1.26 -4.86 135.00 138.40 1vkr n PRO 421 Ca -0.06 0.97 0.17 0.00 -0.04 0.00 0.00 63.50 64.54 1vkr n PRO 421 Cb 0.49 -2.74 0.90 0.00 -0.04 0.00 0.00 33.50 32.10 1vkr n PRO 421 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 1vkr h PRO 422 N 4.18 0.00 -0.00 0.54 0.13 -2.00 -1.87 132.00 132.97 1vkr h PRO 422 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1vkr h PRO 422 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1vkr h PRO 422 CO 0.74 0.00 -0.04 -0.25 -0.23 0.00 0.00 178.00 178.22 1vkr n ASP 423 N -2.73 0.18 -4.76 1.44 8.00 -1.26 -4.87 116.55 112.54 1vkr n ASP 423 Ca -0.02 -0.36 -0.41 0.00 0.71 0.00 0.00 54.79 54.71 1vkr n ASP 423 Cb 0.09 -0.18 -0.01 0.00 -0.02 0.00 0.00 41.12 41.00 1vkr n ASP 423 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1vkr s VAL 424 N -2.50 2.39 -0.18 2.53 0.11 -0.70 -4.93 120.40 117.12 1vkr s VAL 424 Ca 0.30 0.37 -0.04 0.00 -2.93 0.00 0.00 61.98 59.68 1vkr s VAL 424 Cb 0.20 -3.24 -0.22 0.00 -1.53 0.00 0.00 36.38 31.60 1vkr s VAL 424 CO 0.46 0.08 0.11 0.47 -3.33 0.00 0.00 175.10 172.89 1vkr n ASP 425 N 1.27 2.06 -4.16 3.54 8.00 -1.24 -4.79 116.55 121.22 1vkr n ASP 425 Ca 0.03 0.09 -0.28 0.00 0.71 0.00 0.00 54.79 55.34 1vkr n ASP 425 Cb 0.40 -0.69 -0.16 0.00 -0.02 0.00 0.00 41.12 40.64 1vkr n ASP 425 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1vkr s LEU 426 N -6.88 1.93 -0.10 0.64 1.43 -0.54 -2.26 118.68 112.90 1vkr s LEU 426 Ca -0.28 -0.42 0.03 0.00 -1.03 0.00 0.00 54.13 52.43 1vkr s LEU 426 Cb 0.08 -1.12 0.01 0.00 0.03 0.00 0.00 46.19 45.18 1vkr s LEU 426 CO 0.69 0.15 -0.19 -0.69 0.23 0.00 0.00 176.35 176.54 1vkr s VAL 427 N 0.20 1.72 -0.20 -1.59 1.01 0.99 -2.31 120.40 120.21 1vkr s VAL 427 Ca -0.10 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.10 1vkr s VAL 427 Cb -0.14 -1.52 0.03 0.00 0.00 0.00 0.00 36.38 34.75 1vkr s VAL 427 CO 0.04 0.48 -0.17 -0.63 0.00 0.00 0.00 175.10 174.83 1vkr s ILE 428 N 0.62 2.05 0.24 2.22 1.01 -0.47 -1.12 121.20 125.75 1vkr s ILE 428 Ca -0.14 -1.13 -0.02 0.00 0.00 0.00 0.00 60.65 59.36 1vkr s ILE 428 Cb -0.16 -1.96 -0.03 0.00 0.01 0.00 0.00 42.46 40.32 1vkr s ILE 428 CO 0.04 0.35 0.24 0.42 0.00 0.00 0.00 174.94 175.99 1vkr s THR 429 N 1.25 0.00 0.22 2.92 -4.23 -1.01 -2.16 115.64 112.63 1vkr s THR 429 Ca 0.01 -1.86 -0.30 0.00 -1.18 0.00 0.00 61.69 58.36 1vkr s THR 429 Cb -0.15 -2.46 -0.09 0.00 1.34 0.00 0.00 72.50 71.15 1vkr s THR 429 CO -0.10 0.00 1.16 -2.28 -0.54 0.00 0.00 174.62 172.86 1vkr s HIS 430 N -3.96 3.47 0.48 3.99 2.46 -1.26 -2.06 115.29 118.40 1vkr s HIS 430 Ca 0.36 1.53 0.34 0.00 0.47 0.00 0.00 55.06 57.76 1vkr s HIS 430 Cb 0.04 -3.38 1.47 0.00 -0.13 0.00 0.00 32.58 30.58 1vkr s HIS 430 CO 0.14 -0.96 1.67 -0.09 -2.47 0.00 0.00 174.74 173.03 1vkr h ARG 431 N 4.69 0.09 0.00 2.88 2.43 -1.76 1.05 114.38 123.77 1vkr h ARG 431 Ca -0.45 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 58.70 1vkr h ARG 431 Cb 1.21 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.74 1vkr h ARG 431 CO 0.71 0.06 -0.07 -0.44 -1.51 0.00 0.00 179.97 178.73 1vkr h ASP 432 N 0.10 0.00 -0.00 -3.80 3.32 -1.90 -2.95 116.42 111.19 1vkr h ASP 432 Ca 0.76 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.81 1vkr h ASP 432 Cb 2.60 0.00 0.00 0.00 0.22 0.00 0.00 39.33 42.15 1vkr h ASP 432 CO -0.23 0.07 0.00 0.18 -1.72 0.00 0.00 179.24 177.54 1vkr n LEU 433 N -3.37 1.25 0.06 1.55 4.77 0.35 -4.67 117.00 116.93 1vkr n LEU 433 Ca -0.01 -1.23 0.02 0.00 -0.03 0.00 0.00 56.01 54.76 1vkr n LEU 433 Cb 0.22 -0.00 0.38 0.00 -2.33 0.00 0.00 43.42 41.69 1vkr n LEU 433 CO 0.27 0.31 0.98 0.71 -1.33 0.00 0.00 177.39 178.33 1vkr h THR 434 N 0.04 1.16 -0.63 -5.08 1.35 -0.90 -2.00 112.91 106.84 1vkr h THR 434 Ca 0.00 -0.60 0.04 0.00 -0.55 0.00 0.00 66.41 65.31 1vkr h THR 434 Cb 0.12 0.94 -0.05 0.00 -1.73 0.00 0.00 68.15 67.44 1vkr h THR 434 CO 0.00 0.20 0.37 -0.33 -0.25 0.00 0.00 175.52 175.51 1vkr h GLU 435 N 0.38 0.68 -0.19 4.72 5.08 -1.83 -0.14 114.58 123.28 1vkr h GLU 435 Ca 0.09 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1vkr h GLU 435 Cb 0.23 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1vkr h GLU 435 CO 0.00 0.45 0.11 0.00 -1.00 0.00 0.00 179.01 178.58 1vkr h ARG 436 N 0.70 0.26 -0.64 2.33 3.08 -1.70 -1.97 114.38 116.44 1vkr h ARG 436 Ca 0.27 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 60.24 1vkr h ARG 436 Cb 0.11 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 1vkr h ARG 436 CO -0.15 0.22 0.18 0.00 -1.07 0.00 0.00 179.97 179.16 1vkr h ALA 437 N 1.02 0.85 -1.00 0.04 0.00 -1.13 -2.12 119.26 116.91 1vkr h ALA 437 Ca 0.07 -0.22 0.09 0.00 0.00 0.00 0.00 54.91 54.84 1vkr h ALA 437 Cb 0.03 -0.25 -0.07 0.00 0.00 0.00 0.00 17.79 17.50 1vkr h ALA 437 CO -0.01 0.54 0.64 0.52 0.00 0.00 0.00 179.25 180.94 1vkr h MET 438 N 0.94 1.07 -0.27 0.00 2.86 -0.86 -1.60 114.93 117.08 1vkr h MET 438 Ca 0.20 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.75 1vkr h MET 438 Cb 0.33 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 1vkr h MET 438 CO -0.00 0.71 0.07 -0.09 1.06 0.00 0.00 176.91 178.66 1vkr h ARG 439 N 1.11 0.43 -0.63 1.72 2.43 -0.72 2.89 114.38 121.60 1vkr h ARG 439 Ca 0.46 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.52 1vkr h ARG 439 Cb 0.30 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.76 1vkr h ARG 439 CO -0.21 0.52 0.37 0.37 -1.51 0.00 0.00 179.97 179.50 1vkr h GLN 440 N 0.26 0.86 -2.44 0.20 4.15 -0.91 -3.35 115.11 113.88 1vkr h GLN 440 Ca 0.08 -0.09 -0.56 0.00 0.77 0.00 0.00 58.65 58.86 1vkr h GLN 440 Cb 0.28 -0.18 -0.38 0.00 0.21 0.00 0.00 27.48 27.41 1vkr h GLN 440 CO 0.00 0.63 -0.88 0.14 -1.93 0.00 0.00 178.83 176.79 1vkr s VAL 441 N -5.94 0.15 -1.38 2.39 -7.23 -0.65 -4.94 120.40 102.79 1vkr s VAL 441 Ca -0.13 -1.95 0.27 0.00 -1.81 0.00 0.00 61.98 58.36 1vkr s VAL 441 Cb 0.13 -1.11 0.45 0.00 0.56 0.00 0.00 36.38 36.42 1vkr s VAL 441 CO 0.77 -1.03 1.93 -0.81 -0.31 0.00 0.00 175.10 175.65 1vkr n PRO 442 N 3.65 0.35 0.00 4.82 -0.04 0.97 -2.08 135.00 142.66 1vkr n PRO 442 Ca 0.18 0.03 0.12 0.00 -0.04 0.00 0.00 63.50 63.79 1vkr n PRO 442 Cb 0.41 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.64 1vkr n PRO 442 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1vkr n GLN 443 N -1.31 0.08 -2.39 0.54 6.02 -1.26 -4.90 117.38 114.16 1vkr n GLN 443 Ca 0.12 -0.05 -0.24 0.00 -0.01 0.00 0.00 57.00 56.82 1vkr n GLN 443 Cb 0.23 -1.50 0.05 0.00 1.02 0.00 0.00 30.24 30.04 1vkr n GLN 443 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1vkr s ALA 444 N -2.95 3.45 -0.19 -1.58 0.00 -0.88 -5.06 121.76 114.54 1vkr s ALA 444 Ca 0.12 -1.06 -0.16 0.00 0.00 0.00 0.00 51.96 50.86 1vkr s ALA 444 Cb 0.18 -2.40 -0.04 0.00 0.00 0.00 0.00 23.12 20.86 1vkr s ALA 444 CO 0.68 -1.05 0.42 -0.65 0.00 0.00 0.00 175.76 175.16 1vkr s GLN 445 N -5.04 4.20 -0.05 0.00 -0.21 -0.96 -4.99 119.66 112.61 1vkr s GLN 445 Ca 0.58 0.26 0.06 0.00 0.02 0.00 0.00 55.36 56.29 1vkr s GLN 445 Cb -0.11 -3.53 -0.02 0.00 1.00 0.00 0.00 33.01 30.36 1vkr s GLN 445 CO 0.42 -0.03 -0.23 -1.01 -2.12 0.00 0.00 175.29 172.33 1vkr s HIS 446 N 1.26 2.47 -0.10 0.91 3.76 -1.26 -0.01 115.29 122.33 1vkr s HIS 446 Ca 0.21 -0.52 0.03 0.00 -0.15 0.00 0.00 55.06 54.63 1vkr s HIS 446 Cb -0.15 -1.59 0.01 0.00 1.11 0.00 0.00 32.58 31.96 1vkr s HIS 446 CO 0.08 -0.08 -0.19 0.42 -0.85 0.00 0.00 174.74 174.12 1vkr s ILE 447 N -0.39 1.74 -0.11 0.60 -1.09 -0.27 -4.97 121.20 116.70 1vkr s ILE 447 Ca 0.03 -0.82 -0.06 0.00 -2.23 0.00 0.00 60.65 57.58 1vkr s ILE 447 Cb -0.12 -1.54 -0.04 0.00 -1.58 0.00 0.00 42.46 39.18 1vkr s ILE 447 CO 0.02 0.49 0.11 -0.94 -1.23 0.00 0.00 174.94 173.38 1vkr s SER 448 N 0.59 6.10 0.37 3.58 1.04 -1.26 -2.40 113.70 121.72 1vkr s SER 448 Ca -0.14 0.38 0.07 0.00 0.48 0.00 0.00 55.95 56.74 1vkr s SER 448 Cb -0.17 -1.92 -0.02 0.00 0.10 0.00 0.00 66.02 64.01 1vkr s SER 448 CO 0.04 0.39 0.37 -0.76 0.98 0.00 0.00 173.24 174.27 1vkr s LEU 449 N -0.95 3.59 -0.04 2.42 1.43 -0.88 -4.84 118.68 119.42 1vkr s LEU 449 Ca 0.14 -0.52 0.00 0.00 -1.03 0.00 0.00 54.13 52.73 1vkr s LEU 449 Cb -0.12 -2.28 -0.02 0.00 0.03 0.00 0.00 46.19 43.80 1vkr s LEU 449 CO 0.03 -0.49 -0.03 0.35 0.23 0.00 0.00 176.35 176.44 1vkr n THR 450 N -1.51 0.20 -4.12 5.49 -2.24 -1.26 -2.14 114.28 108.71 1vkr n THR 450 Ca 0.01 -0.08 -0.13 0.00 -2.27 0.00 0.00 64.05 61.58 1vkr n THR 450 Cb 0.60 -0.63 -0.11 0.00 -2.10 0.00 0.00 70.33 68.09 1vkr n THR 450 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1vkr s ASN 451 N -4.34 1.11 0.25 3.42 0.01 -1.26 -4.96 114.94 109.17 1vkr s ASN 451 Ca -0.05 -0.71 -0.04 0.00 -0.71 0.00 0.00 52.86 51.35 1vkr s ASN 451 Cb 0.01 0.04 0.30 0.00 0.41 0.00 0.00 41.25 42.01 1vkr s ASN 451 CO 0.08 -0.26 1.83 -0.26 -1.51 0.00 0.00 177.10 176.98 1vkr h PHE 452 N 3.95 1.05 -0.37 2.20 0.04 -1.99 -2.85 116.94 118.97 1vkr h PHE 452 Ca -0.36 -0.07 -0.03 0.00 2.80 0.00 0.00 57.97 60.31 1vkr h PHE 452 Cb 1.19 -0.32 -0.02 0.00 2.20 0.00 0.00 35.95 39.00 1vkr h PHE 452 CO 0.63 0.80 0.02 1.28 -0.60 0.00 0.00 178.31 180.44 1vkr n LEU 453 N -4.30 4.49 -4.50 1.54 4.77 -1.26 -4.83 117.00 112.91 1vkr n LEU 453 Ca 0.06 -3.07 -0.19 0.00 -0.03 0.00 0.00 56.01 52.78 1vkr n LEU 453 Cb 0.18 -0.60 -0.11 0.00 -2.33 0.00 0.00 43.42 40.56 1vkr n LEU 453 CO 0.40 0.71 1.19 -0.67 -1.33 0.00 0.00 177.39 177.69 1vkr n ASP 454 N -0.28 1.66 -0.09 -1.43 -0.08 -1.08 -4.69 116.55 110.55 1vkr n ASP 454 Ca 0.25 -2.53 0.04 0.00 -1.51 0.00 0.00 54.79 51.04 1vkr n ASP 454 Cb 1.01 -1.65 0.37 0.00 2.34 0.00 0.00 41.12 43.19 1vkr n ASP 454 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 1vkr h SER 455 N 11.14 0.61 -0.15 1.67 4.64 -1.90 -2.11 113.55 127.44 1vkr h SER 455 Ca 0.07 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1vkr h SER 455 Cb 0.96 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.90 1vkr h SER 455 CO 1.13 0.43 0.10 1.23 -0.87 0.00 0.00 176.83 178.84 1vkr h GLY 456 N 0.71 0.21 0.94 -0.77 0.00 -1.99 0.15 103.07 102.32 1vkr h GLY 456 Ca 0.22 -0.08 -0.02 0.00 0.00 0.00 0.00 47.33 47.44 1vkr h GLY 456 CO -0.05 0.08 0.16 1.41 0.00 0.00 0.00 176.54 178.14 1vkr h LEU 457 N 0.20 0.51 -0.52 3.11 3.38 -1.86 -1.40 115.31 118.73 1vkr h LEU 457 Ca 0.06 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 57.89 1vkr h LEU 457 Cb -0.01 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1vkr h LEU 457 CO -0.01 0.53 0.32 1.88 0.09 0.00 0.00 178.44 181.24 1vkr h TYR 458 N 0.46 0.60 -0.33 1.13 0.05 -1.13 -0.37 116.97 117.38 1vkr h TYR 458 Ca 0.13 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.92 1vkr h TYR 458 Cb 0.17 -0.19 -0.02 0.00 1.01 0.00 0.00 36.73 37.70 1vkr h TYR 458 CO -0.01 0.35 0.18 1.15 -1.05 0.00 0.00 178.16 178.78 1vkr h THR 459 N 0.64 1.14 -0.48 -2.88 2.02 -0.51 -1.42 112.91 111.41 1vkr h THR 459 Ca 0.20 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 67.03 1vkr h THR 459 Cb -0.00 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 1vkr h THR 459 CO -0.08 0.14 0.31 0.28 0.37 0.00 0.00 175.52 176.53 1vkr h SER 460 N 0.41 0.57 -0.69 4.18 0.02 -0.88 -1.88 113.55 115.29 1vkr h SER 460 Ca 0.12 -0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 61.01 1vkr h SER 460 Cb 0.06 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.43 1vkr h SER 460 CO -0.02 0.44 0.34 -0.07 -1.14 0.00 0.00 176.83 176.38 1vkr h LEU 461 N 0.65 0.89 -0.22 5.07 3.38 -0.88 -2.02 115.31 122.19 1vkr h LEU 461 Ca 0.18 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1vkr h LEU 461 Cb -0.04 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 1vkr h LEU 461 CO -0.04 0.76 0.12 0.74 0.09 0.00 0.00 178.44 180.12 1vkr h THR 462 N 0.95 1.10 -0.97 0.22 2.02 -0.97 -1.16 112.91 114.10 1vkr h THR 462 Ca 0.24 -0.27 0.05 0.00 0.77 0.00 0.00 66.41 67.20 1vkr h THR 462 Cb 0.10 0.89 -0.06 0.00 -1.74 0.00 0.00 68.15 67.34 1vkr h THR 462 CO -0.03 0.10 0.63 -0.33 0.37 0.00 0.00 175.52 176.26 1vkr h GLU 463 N 0.25 1.14 -0.30 6.66 5.08 -1.13 -1.71 114.58 124.57 1vkr h GLU 463 Ca 0.08 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1vkr h GLU 463 Cb 0.05 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 1vkr h GLU 463 CO -0.01 0.76 0.09 0.00 -1.00 0.00 0.00 179.01 178.84 1vkr h ARG 464 N 1.18 0.47 -0.77 2.33 3.08 -0.93 -1.42 114.38 118.32 1vkr h ARG 464 Ca 0.40 -0.11 -0.05 0.00 0.07 0.00 0.00 59.98 60.29 1vkr h ARG 464 Cb 0.09 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 1vkr h ARG 464 CO -0.14 0.53 0.28 -0.07 -1.07 0.00 0.00 179.97 179.50 1vkr h LEU 465 N 0.33 1.09 -0.44 3.04 3.38 -0.76 0.97 115.31 122.92 1vkr h LEU 465 Ca 0.10 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1vkr h LEU 465 Cb 0.26 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1vkr h LEU 465 CO -0.00 0.99 0.29 0.58 0.09 0.00 0.00 178.44 180.39 1vkr h VAL 466 N 1.13 1.11 -0.83 1.22 2.07 -1.20 0.24 116.25 120.00 1vkr h VAL 466 Ca 0.25 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.56 1vkr h VAL 466 Cb 0.26 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 1vkr h VAL 466 CO -0.01 0.11 0.50 0.00 0.02 0.00 0.00 177.57 178.19 1vkr h ALA 467 N 1.16 1.06 0.00 1.67 0.00 -0.56 -1.92 119.26 120.66 1vkr h ALA 467 Ca 0.16 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1vkr h ALA 467 Cb -0.06 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 1vkr h ALA 467 CO -0.03 0.52 -0.32 0.00 0.00 0.00 0.00 179.25 179.42 1vkr h ALA 468 N 1.27 1.03 -0.08 0.00 0.00 -0.14 -2.20 119.26 119.14 1vkr h ALA 468 Ca 0.30 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1vkr h ALA 468 Cb -0.05 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1vkr h ALA 468 CO -0.06 0.40 -0.02 1.96 0.00 0.00 0.00 179.25 181.53 1vkr h GLN 469 N 0.00 0.15 0.55 0.00 1.08 0.24 -3.30 115.11 113.84 1vkr h GLN 469 Ca -0.00 -0.06 -0.03 0.00 -1.45 0.00 0.00 58.65 57.11 1vkr h GLN 469 Cb 0.82 -0.01 0.01 0.00 -0.05 0.00 0.00 27.48 28.25 1vkr h GLN 469 CO 0.04 0.48 -0.27 0.00 -0.95 0.00 0.00 178.83 178.13 1vkr h ARG 470 N -0.19 -0.72 0.00 1.46 3.08 -1.47 -3.52 114.38 113.03 1vkr h ARG 470 Ca 0.02 0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1vkr h ARG 470 Cb 0.42 0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.64 1vkr h ARG 470 CO 0.01 -0.48 0.00 0.72 -1.07 0.00 0.00 179.97 179.15