#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rok s SER 424 N 0.00 -0.18 0.00 1.61 0.15 -1.26 -5.06 113.70 108.97 2rok s SER 424 Ca 0.00 -0.48 0.13 0.00 0.70 0.00 0.00 55.95 56.30 2rok s SER 424 Cb 0.00 0.49 0.57 0.00 -1.71 0.00 0.00 66.02 65.37 2rok s SER 424 CO 0.00 -0.92 1.43 -1.20 1.20 0.00 0.00 173.24 173.75 2rok n SER 425 N -0.25 0.00 -2.66 5.45 7.64 -1.26 -4.90 113.62 117.64 2rok n SER 425 Ca -0.13 0.50 -0.01 0.00 1.01 0.00 0.00 58.87 60.24 2rok n SER 425 Cb 0.63 -0.50 0.01 0.00 -1.01 0.00 0.00 64.21 63.34 2rok n SER 425 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2rok n GLY 426 N -0.12 0.72 0.00 0.23 0.00 -1.26 -5.08 105.19 99.68 2rok n GLY 426 Ca 0.03 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.99 2rok n GLY 426 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2rok n SER 427 N -1.02 0.30 -3.74 1.61 3.41 -1.26 -5.10 113.62 107.82 2rok n SER 427 Ca -0.01 -1.16 -0.11 0.00 -0.26 0.00 0.00 58.87 57.33 2rok n SER 427 Cb 0.40 -0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.30 2rok n SER 427 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2rok s SER 428 N -0.16 0.27 0.16 4.04 0.15 -1.26 -5.20 113.70 111.71 2rok s SER 428 Ca 0.00 -1.18 -0.23 0.00 0.70 0.00 0.00 55.95 55.24 2rok s SER 428 Cb 0.00 0.59 0.08 0.00 -1.71 0.00 0.00 66.02 64.98 2rok s SER 428 CO 0.00 -1.17 1.06 -0.83 1.20 0.00 0.00 173.24 173.50 2rok s GLY 429 N -3.11 0.08 0.00 9.45 0.00 -1.26 -5.14 107.32 107.33 2rok s GLY 429 Ca 0.27 -0.28 0.00 0.00 0.00 0.00 0.00 44.72 44.71 2rok s GLY 429 CO 0.13 2.59 0.00 0.61 0.00 0.00 0.00 173.10 176.43 2rok n GLY 430 N -0.71 -0.97 0.14 0.20 0.00 -1.26 -5.00 105.19 97.59 2rok n GLY 430 Ca -0.03 -0.91 0.13 0.00 0.00 0.00 0.00 46.02 45.21 2rok n GLY 430 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rok h PRO 431 N 0.00 0.00 0.00 1.61 0.13 -2.03 -3.33 132.00 128.38 2rok h PRO 431 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2rok h PRO 431 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2rok h PRO 431 CO 0.00 0.00 0.00 -3.47 -0.23 0.00 0.00 178.00 174.30 2rok n ASP 432 N -2.32 0.00 -0.75 1.44 2.03 -1.26 -3.65 116.55 112.05 2rok n ASP 432 Ca 0.03 -0.60 0.07 0.00 0.52 0.00 0.00 54.79 54.80 2rok n ASP 432 Cb 0.28 -0.13 0.18 0.00 -0.72 0.00 0.00 41.12 40.73 2rok n ASP 432 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2rok n LEU 433 N -1.13 3.06 -4.71 -2.67 -0.00 -1.25 -5.03 117.00 105.27 2rok n LEU 433 Ca 0.19 -1.97 -0.38 0.00 -0.00 0.00 0.00 56.01 53.85 2rok n LEU 433 Cb 0.17 -0.27 0.05 0.00 -0.00 0.00 0.00 43.42 43.37 2rok n LEU 433 CO 0.20 0.76 0.86 0.00 -0.00 0.00 0.00 177.39 179.21 2rok n GLN 434 N 0.70 1.34 0.00 1.47 6.02 -1.24 -4.94 117.38 120.72 2rok n GLN 434 Ca 0.13 0.50 0.13 0.00 -0.01 0.00 0.00 57.00 57.75 2rok n GLN 434 Cb 0.45 -2.47 0.61 0.00 1.02 0.00 0.00 30.24 29.85 2rok n GLN 434 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 2rok n PRO 435 N -1.28 0.23 -1.49 -1.09 -0.04 -1.26 -4.93 135.00 125.14 2rok n PRO 435 Ca 0.13 0.05 -0.36 0.00 -0.04 0.00 0.00 63.50 63.28 2rok n PRO 435 Cb 0.46 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.51 2rok n PRO 435 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2rok n LYS 436 N -1.37 0.75 -0.08 0.54 5.02 -1.26 -4.99 118.16 116.77 2rok n LYS 436 Ca 0.10 0.32 0.00 0.00 -2.02 0.00 0.00 58.31 56.71 2rok n LYS 436 Cb 0.24 -2.43 0.00 0.00 -0.02 0.00 0.00 35.03 32.82 2rok n LYS 436 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2rok n ARG 437 N -2.20 0.16 0.32 1.97 5.12 -1.26 -4.90 116.66 115.87 2rok n ARG 437 Ca 0.15 -0.65 0.21 0.00 -1.93 0.00 0.00 57.85 55.62 2rok n ARG 437 Cb 0.49 -0.54 1.10 0.00 -1.16 0.00 0.00 32.46 32.35 2rok n ARG 437 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 2rok h ASP 438 N 0.00 0.00 -0.15 0.55 3.32 -1.99 -2.40 116.42 115.75 2rok h ASP 438 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2rok h ASP 438 Cb 1.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.59 2rok h ASP 438 CO 0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 2rok n HIS 439 N -2.97 0.40 -5.07 4.55 1.44 -1.26 -4.52 115.22 107.79 2rok n HIS 439 Ca -0.03 -0.79 -0.28 0.00 -2.01 0.00 0.00 57.72 54.61 2rok n HIS 439 Cb 0.12 -0.17 -0.16 0.00 0.12 0.00 0.00 29.99 29.91 2rok n HIS 439 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 2rok s VAL 440 N -2.23 1.73 0.33 0.61 1.01 -0.90 -1.01 120.40 119.95 2rok s VAL 440 Ca 0.29 -0.92 0.10 0.00 0.00 0.00 0.00 61.98 61.44 2rok s VAL 440 Cb 0.23 -1.45 -0.06 0.00 0.00 0.00 0.00 36.38 35.10 2rok s VAL 440 CO 0.07 0.49 -0.06 -0.76 0.00 0.00 0.00 175.10 174.84 2rok s LEU 441 N -0.37 2.83 0.00 3.92 1.43 -0.23 -2.98 118.68 123.28 2rok s LEU 441 Ca 0.04 -1.08 0.07 0.00 -1.03 0.00 0.00 54.13 52.13 2rok s LEU 441 Cb -0.10 -1.17 -0.03 0.00 0.03 0.00 0.00 46.19 44.93 2rok s LEU 441 CO 0.00 -0.19 -0.22 -2.28 0.23 0.00 0.00 176.35 173.89 2rok s HIS 442 N -2.56 2.45 -0.01 0.29 5.65 0.25 -1.08 115.29 120.29 2rok s HIS 442 Ca 0.33 -0.34 0.03 0.00 0.25 0.00 0.00 55.06 55.33 2rok s HIS 442 Cb 0.00 -1.49 -0.00 0.00 -1.18 0.00 0.00 32.58 29.91 2rok s HIS 442 CO 0.18 0.10 -0.09 0.08 -0.65 0.00 0.00 174.74 174.36 2rok s VAL 443 N -0.74 0.70 -0.04 0.89 1.01 -0.03 -1.37 120.40 120.82 2rok s VAL 443 Ca 0.12 -0.37 0.04 0.00 0.00 0.00 0.00 61.98 61.76 2rok s VAL 443 Cb -0.10 -0.59 0.00 0.00 0.00 0.00 0.00 36.38 35.68 2rok s VAL 443 CO 0.01 0.20 -0.14 -0.89 0.00 0.00 0.00 175.10 174.28 2rok s THR 444 N -0.13 1.21 0.12 3.92 2.01 -0.12 -2.10 115.64 120.55 2rok s THR 444 Ca 0.02 -0.59 -0.22 0.00 0.31 0.00 0.00 61.69 61.22 2rok s THR 444 Cb -0.04 -1.05 0.06 0.00 0.01 0.00 0.00 72.50 71.48 2rok s THR 444 CO -0.00 0.36 0.56 0.72 -0.69 0.00 0.00 174.62 175.56 2rok s PHE 445 N 0.15 -0.47 0.61 4.92 -0.12 -0.78 -1.12 117.98 121.18 2rok s PHE 445 Ca -0.05 0.32 -0.18 0.00 -0.05 0.00 0.00 56.93 56.98 2rok s PHE 445 Cb -0.11 0.46 -0.03 0.00 -0.63 0.00 0.00 43.02 42.72 2rok s PHE 445 CO 0.02 -0.78 1.18 -1.25 -0.05 0.00 0.00 175.22 174.34 2rok s PRO 446 N -3.40 2.91 0.11 1.99 0.04 -1.26 -4.52 135.00 130.87 2rok s PRO 446 Ca -0.00 1.73 0.08 0.00 0.04 0.00 0.00 61.00 62.85 2rok s PRO 446 Cb -0.00 -1.93 0.44 0.00 0.04 0.00 0.00 34.50 33.05 2rok s PRO 446 CO -0.10 -1.23 1.26 0.36 0.04 0.00 0.00 177.00 177.33 2rok n LYS 447 N -1.79 0.05 0.29 4.56 2.85 -1.26 -1.56 118.16 121.30 2rok n LYS 447 Ca 0.13 0.53 0.19 0.00 -1.05 0.00 0.00 58.31 58.11 2rok n LYS 447 Cb 0.50 -1.66 0.86 0.00 -0.65 0.00 0.00 35.03 34.08 2rok n LYS 447 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 2rok h GLU 448 N 0.00 0.00 -7.16 -1.58 5.08 -1.91 -3.45 114.58 105.56 2rok h GLU 448 Ca 0.00 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.87 2rok h GLU 448 Cb 0.02 0.00 0.06 0.00 0.50 0.00 0.00 28.75 29.33 2rok h GLU 448 CO 0.00 0.00 0.38 -1.58 -1.00 0.00 0.00 179.01 176.81 2rok s TRP 449 N -3.82 2.93 0.33 4.33 0.52 -0.60 -5.09 118.94 117.53 2rok s TRP 449 Ca -0.01 1.53 0.03 0.00 0.02 0.00 0.00 56.10 57.67 2rok s TRP 449 Cb 0.10 -3.06 -0.04 0.00 -1.15 0.00 0.00 33.47 29.32 2rok s TRP 449 CO 0.49 -1.14 0.12 0.15 0.02 0.00 0.00 176.95 176.58 2rok s LYS 450 N -3.83 1.66 0.41 4.98 3.01 -1.26 -5.03 119.74 119.69 2rok s LYS 450 Ca 0.65 -1.95 0.20 0.00 -1.01 0.00 0.00 55.97 53.86 2rok s LYS 450 Cb -0.17 -0.45 1.14 0.00 -1.01 0.00 0.00 37.83 37.34 2rok s LYS 450 CO 0.33 -0.37 1.78 1.15 0.51 0.00 0.00 175.35 178.75 2rok h THR 451 N 2.11 0.52 -0.48 2.17 2.02 -1.99 -1.52 112.91 115.74 2rok h THR 451 Ca -0.37 -0.12 -0.05 0.00 0.77 0.00 0.00 66.41 66.64 2rok h THR 451 Cb 1.25 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 67.78 2rok h THR 451 CO 0.59 0.07 0.12 0.28 0.37 0.00 0.00 175.52 176.95 2rok h SER 452 N 0.36 0.73 0.15 4.18 0.02 -1.99 0.36 113.55 117.36 2rok h SER 452 Ca 0.58 -0.23 -0.07 0.00 -0.84 0.00 0.00 61.79 61.24 2rok h SER 452 Cb 1.54 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.88 2rok h SER 452 CO -0.27 0.77 -0.24 0.44 -1.14 0.00 0.00 176.83 176.39 2rok h ASP 453 N 0.66 0.17 -0.18 3.07 3.32 -1.70 -0.91 116.42 120.85 2rok h ASP 453 Ca 0.15 -0.05 -0.12 0.00 0.02 0.00 0.00 57.03 57.04 2rok h ASP 453 Cb 0.32 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.82 2rok h ASP 453 CO 0.00 0.43 -0.36 -0.07 -1.72 0.00 0.00 179.24 177.52 2rok h LEU 454 N 0.16 0.62 -0.78 1.55 3.38 -1.11 -1.27 115.31 117.87 2rok h LEU 454 Ca 0.03 -0.55 0.03 0.00 0.09 0.00 0.00 57.88 57.48 2rok h LEU 454 Cb 0.52 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 2rok h LEU 454 CO 0.04 1.06 0.50 1.88 0.09 0.00 0.00 178.44 182.00 2rok h TYR 455 N 0.21 0.93 -0.32 1.13 0.05 -0.77 -2.08 116.97 116.12 2rok h TYR 455 Ca 0.01 0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.78 2rok h TYR 455 Cb 0.95 -0.31 -0.02 0.00 1.01 0.00 0.00 36.73 38.37 2rok h TYR 455 CO 0.09 0.53 0.05 0.37 -1.05 0.00 0.00 178.16 178.16 2rok h GLN 456 N 0.97 0.47 0.00 4.88 4.15 -1.07 0.23 115.11 124.74 2rok h GLN 456 Ca 0.31 -0.08 -0.14 0.00 0.77 0.00 0.00 58.65 59.52 2rok h GLN 456 Cb 0.01 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.60 2rok h GLN 456 CO -0.11 0.45 -0.66 1.25 -1.93 0.00 0.00 178.83 177.83 2rok h LEU 457 N 0.46 0.00 -0.93 -2.39 5.85 -0.78 -3.38 115.31 114.14 2rok h LEU 457 Ca 0.11 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.83 2rok h LEU 457 Cb 0.22 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.25 2rok h LEU 457 CO 0.00 0.66 0.00 0.49 -0.34 0.00 0.00 178.44 179.25 2rok n PHE 458 N -3.74 0.00 0.25 1.25 3.72 -0.82 -4.72 117.46 113.40 2rok n PHE 458 Ca -0.01 0.00 0.18 0.00 -0.05 0.00 0.00 57.45 57.57 2rok n PHE 458 Cb 0.66 0.00 0.89 0.00 -0.94 0.00 0.00 39.48 40.09 2rok n PHE 458 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2rok h SER 459 N 0.00 0.00 0.00 4.37 4.64 -1.14 -2.29 113.55 119.13 2rok h SER 459 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2rok h SER 459 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 2rok h SER 459 CO 0.00 0.00 0.10 0.00 -0.87 0.00 0.00 176.83 176.06 2rok h ALA 460 N 1.75 1.08 -0.29 5.18 0.00 -1.86 -2.42 119.26 122.70 2rok h ALA 460 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2rok h ALA 460 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2rok h ALA 460 CO -0.00 -0.08 0.00 1.19 0.00 0.00 0.00 179.25 180.36 2rok n PHE 461 N -2.55 0.36 0.00 0.00 3.72 -0.86 -5.01 117.46 113.12 2rok n PHE 461 Ca -0.02 -0.18 0.00 0.00 -0.05 0.00 0.00 57.45 57.20 2rok n PHE 461 Cb 0.14 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.68 2rok n PHE 461 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2rok n GLY 462 N 1.46 1.36 3.23 1.37 0.00 -0.91 -4.54 105.19 107.16 2rok n GLY 462 Ca 0.18 -0.07 -0.12 0.00 0.00 0.00 0.00 46.02 46.01 2rok n GLY 462 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2rok s ASN 463 N 0.00 -0.42 0.27 1.61 3.84 -1.26 -5.06 114.94 113.91 2rok s ASN 463 Ca 0.00 0.77 -0.04 0.00 0.21 0.00 0.00 52.86 53.80 2rok s ASN 463 Cb 0.00 0.70 -0.02 0.00 -0.55 0.00 0.00 41.25 41.39 2rok s ASN 463 CO 0.00 -0.16 0.35 0.27 -2.79 0.00 0.00 177.10 174.77 2rok s ILE 464 N 0.91 0.00 -0.00 -5.21 -4.36 -1.26 -1.94 121.20 109.34 2rok s ILE 464 Ca -0.06 -1.70 0.00 0.00 -0.26 0.00 0.00 60.65 58.64 2rok s ILE 464 Cb -0.06 -2.45 0.00 0.00 1.25 0.00 0.00 42.46 41.20 2rok s ILE 464 CO -0.07 0.00 0.00 -1.58 0.24 0.00 0.00 174.94 173.53 2rok s GLN 465 N -3.73 0.01 -0.12 0.37 2.00 -0.77 -4.99 119.66 112.44 2rok s GLN 465 Ca 0.31 0.01 -0.00 0.00 -2.00 0.00 0.00 55.36 53.69 2rok s GLN 465 Cb 0.02 -0.03 -0.02 0.00 0.80 0.00 0.00 33.01 33.78 2rok s GLN 465 CO 0.15 -0.01 -0.11 0.42 -0.50 0.00 0.00 175.29 175.23 2rok s ILE 466 N 0.09 3.25 -0.32 -2.34 1.01 -1.26 -0.99 121.20 120.65 2rok s ILE 466 Ca -0.01 -0.60 -0.02 0.00 0.00 0.00 0.00 60.65 60.02 2rok s ILE 466 Cb -0.01 -2.36 0.12 0.00 0.01 0.00 0.00 42.46 40.22 2rok s ILE 466 CO -0.00 0.54 0.19 -0.44 0.00 0.00 0.00 174.94 175.22 2rok s SER 467 N 0.09 3.05 0.71 3.58 0.01 -0.49 -5.02 113.70 115.63 2rok s SER 467 Ca -0.04 -1.57 -0.16 0.00 1.31 0.00 0.00 55.95 55.48 2rok s SER 467 Cb -0.14 -0.24 0.01 0.00 0.21 0.00 0.00 66.02 65.86 2rok s SER 467 CO 0.04 -0.38 1.10 0.79 0.41 0.00 0.00 173.24 175.20 2rok n TRP 468 N 4.78 1.13 0.00 2.43 7.02 -1.26 -0.67 117.44 130.87 2rok n TRP 468 Ca 0.02 0.41 0.00 0.00 -1.02 0.00 0.00 57.50 56.90 2rok n TRP 468 Cb 0.41 -2.14 0.00 0.00 -2.42 0.00 0.00 31.31 27.16 2rok n TRP 468 CO 0.00 0.00 0.00 0.44 -2.02 0.00 0.00 177.69 176.11 2rok n ILE 469 N -2.47 0.00 -3.96 -0.99 -5.35 -0.79 -4.81 119.36 100.99 2rok n ILE 469 Ca 0.14 -0.00 -0.12 0.00 -0.27 0.00 0.00 62.75 62.50 2rok n ILE 469 Cb 0.49 0.16 -0.01 0.00 -1.74 0.00 0.00 39.64 38.54 2rok n ILE 469 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2rok s ASP 470 N -0.57 0.47 0.47 7.28 -1.08 -0.54 -4.96 116.67 117.74 2rok s ASP 470 Ca 0.00 -1.31 0.32 0.00 -0.52 0.00 0.00 52.55 51.04 2rok s ASP 470 Cb 0.00 0.75 1.59 0.00 -1.46 0.00 0.00 42.92 43.80 2rok s ASP 470 CO 0.00 -1.47 1.96 -0.78 0.52 0.00 0.00 175.17 175.40 2rok h ASP 471 N 2.06 0.00 0.00 -0.34 3.58 -2.00 -3.23 116.42 116.48 2rok h ASP 471 Ca -0.30 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.15 2rok h ASP 471 Cb 1.24 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.29 2rok h ASP 471 CO 0.39 0.00 0.00 0.35 -2.88 0.00 0.00 179.24 177.10 2rok n THR 472 N -2.68 0.19 -3.76 2.25 -2.24 -1.26 -4.23 114.28 102.55 2rok n THR 472 Ca -0.01 -0.22 -0.13 0.00 -2.27 0.00 0.00 64.05 61.42 2rok n THR 472 Cb 0.13 1.09 -0.09 0.00 -2.10 0.00 0.00 70.33 69.35 2rok n THR 472 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2rok s SER 473 N -0.19 -0.26 0.10 3.42 0.01 -1.22 -1.86 113.70 113.71 2rok s SER 473 Ca 0.00 0.31 -0.15 0.00 1.31 0.00 0.00 55.95 57.42 2rok s SER 473 Cb 0.00 0.46 0.03 0.00 0.21 0.00 0.00 66.02 66.72 2rok s SER 473 CO 0.00 -0.33 0.37 0.00 0.41 0.00 0.00 173.24 173.69 2rok s ALA 474 N -0.78 -0.83 0.29 1.44 0.00 -0.89 -1.46 121.76 119.52 2rok s ALA 474 Ca -0.09 -0.08 -0.08 0.00 0.00 0.00 0.00 51.96 51.72 2rok s ALA 474 Cb -0.04 0.59 -0.06 0.00 0.00 0.00 0.00 23.12 23.61 2rok s ALA 474 CO 0.03 -0.59 0.60 -0.06 0.00 0.00 0.00 175.76 175.74 2rok s PHE 475 N -3.56 3.45 -0.13 0.00 0.08 0.16 -0.85 117.98 117.14 2rok s PHE 475 Ca 0.02 0.82 -0.02 0.00 0.12 0.00 0.00 56.93 57.87 2rok s PHE 475 Cb 0.02 -2.24 0.04 0.00 -0.57 0.00 0.00 43.02 40.27 2rok s PHE 475 CO -0.10 0.16 0.03 0.08 -0.10 0.00 0.00 175.22 175.28 2rok s VAL 476 N -2.03 0.33 0.31 -0.44 1.01 -0.24 -1.40 120.40 117.94 2rok s VAL 476 Ca 0.47 -0.14 -0.27 0.00 0.00 0.00 0.00 61.98 62.04 2rok s VAL 476 Cb -0.11 -0.69 -0.10 0.00 0.00 0.00 0.00 36.38 35.49 2rok s VAL 476 CO 0.26 0.01 0.96 -0.44 0.00 0.00 0.00 175.10 175.90 2rok s SER 477 N 1.97 7.35 0.30 3.32 0.01 -0.16 -1.07 113.70 125.41 2rok s SER 477 Ca 0.02 1.90 0.11 0.00 1.31 0.00 0.00 55.95 59.30 2rok s SER 477 Cb -0.14 -2.59 -0.05 0.00 0.21 0.00 0.00 66.02 63.44 2rok s SER 477 CO -0.07 -0.06 -0.16 -0.76 0.41 0.00 0.00 173.24 172.60 2rok s LEU 478 N -1.89 2.66 0.38 2.44 1.43 -0.18 -1.84 118.68 121.69 2rok s LEU 478 Ca 0.49 -1.07 0.05 0.00 -1.03 0.00 0.00 54.13 52.57 2rok s LEU 478 Cb -0.21 -1.09 0.76 0.00 0.03 0.00 0.00 46.19 45.68 2rok s LEU 478 CO 0.27 -0.04 2.03 -1.28 0.23 0.00 0.00 176.35 177.56 2rok h SER 479 N 2.17 0.56 -5.02 2.29 0.87 -1.63 -3.45 113.55 109.35 2rok h SER 479 Ca -0.41 -0.02 -0.16 0.00 -1.23 0.00 0.00 61.79 59.97 2rok h SER 479 Cb 1.26 -0.14 -0.20 0.00 -0.44 0.00 0.00 62.40 62.88 2rok h SER 479 CO 0.63 0.42 -0.68 -1.10 -0.53 0.00 0.00 176.83 175.57 2rok s GLN 480 N -5.53 0.37 0.48 2.24 -0.21 -1.26 -5.07 119.66 110.68 2rok s GLN 480 Ca -0.09 -0.69 0.26 0.00 0.02 0.00 0.00 55.36 54.87 2rok s GLN 480 Cb 0.17 0.13 1.15 0.00 1.00 0.00 0.00 33.01 35.46 2rok s GLN 480 CO 0.74 -0.06 1.92 -1.00 -2.12 0.00 0.00 175.29 174.77 2rok h PRO 481 N 4.39 0.00 -0.30 2.91 0.13 -1.86 -2.72 132.00 134.55 2rok h PRO 481 Ca -0.32 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.78 2rok h PRO 481 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 2rok h PRO 481 CO 0.45 0.17 0.05 1.49 -0.23 0.00 0.00 178.00 179.93 2rok h GLU 482 N 0.00 0.45 0.00 0.86 4.81 -1.98 -2.95 114.58 115.77 2rok h GLU 482 Ca -0.00 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.11 2rok h GLU 482 Cb 0.59 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 2rok h GLU 482 CO 0.02 0.44 -0.24 1.96 -0.73 0.00 0.00 179.01 180.46 2rok h GLN 483 N 0.44 0.00 -0.30 1.92 4.20 -1.88 -2.53 115.11 116.95 2rok h GLN 483 Ca 0.10 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 2rok h GLN 483 Cb 0.21 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 2rok h GLN 483 CO -0.00 0.24 0.16 0.28 -0.67 0.00 0.00 178.83 178.83 2rok h VAL 484 N 0.00 1.14 -0.69 -0.54 2.07 -1.64 -0.78 116.25 115.81 2rok h VAL 484 Ca -0.00 -0.38 -0.05 0.00 0.82 0.00 0.00 66.70 67.09 2rok h VAL 484 Cb 0.49 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 2rok h VAL 484 CO 0.03 0.14 0.25 -0.61 0.02 0.00 0.00 177.57 177.41 2rok h GLN 485 N 0.37 1.04 0.13 1.57 4.15 -1.56 -1.75 115.11 119.06 2rok h GLN 485 Ca 0.11 -0.20 -0.01 0.00 0.77 0.00 0.00 58.65 59.32 2rok h GLN 485 Cb 0.09 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 27.62 2rok h GLN 485 CO -0.02 0.88 -0.06 0.82 -1.93 0.00 0.00 178.83 178.52 2rok h ILE 486 N 0.99 0.88 -0.94 2.39 2.04 -1.31 -2.04 117.51 119.51 2rok h ILE 486 Ca 0.23 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 66.05 2rok h ILE 486 Cb 0.24 0.90 -0.05 0.00 -0.74 0.00 0.00 36.82 37.18 2rok h ILE 486 CO -0.01 0.01 0.57 0.00 0.00 0.00 0.00 178.15 178.71 2rok h ALA 487 N 0.67 1.23 -0.56 1.87 0.00 -1.01 -1.06 119.26 120.40 2rok h ALA 487 Ca -0.02 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 2rok h ALA 487 Cb 0.15 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 2rok h ALA 487 CO 0.03 0.66 0.20 0.28 0.00 0.00 0.00 179.25 180.43 2rok h VAL 488 N 1.30 1.21 -0.01 0.00 2.07 -1.24 -0.72 116.25 118.86 2rok h VAL 488 Ca 0.34 -0.68 -0.14 0.00 0.82 0.00 0.00 66.70 67.04 2rok h VAL 488 Cb -0.06 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 2rok h VAL 488 CO -0.06 0.26 -0.66 -1.13 0.02 0.00 0.00 177.57 176.00 2rok h ASN 489 N 0.81 0.05 0.33 0.57 -1.24 -0.60 -3.35 115.58 112.15 2rok h ASN 489 Ca 0.19 -0.03 -0.32 0.00 0.71 0.00 0.00 56.30 56.84 2rok h ASN 489 Cb 0.19 -0.02 -0.04 0.00 0.73 0.00 0.00 38.32 39.18 2rok h ASN 489 CO -0.01 0.70 -1.88 0.35 -1.29 0.00 0.00 177.43 175.30 2rok n THR 490 N -3.77 1.63 0.33 -3.57 -2.24 -0.48 -4.32 114.28 101.86 2rok n THR 490 Ca -0.01 -0.76 0.15 0.00 -2.27 0.00 0.00 64.05 61.16 2rok n THR 490 Cb 0.65 -1.19 0.61 0.00 -2.10 0.00 0.00 70.33 68.30 2rok n THR 490 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2rok h SER 491 N 0.02 0.00 0.00 3.42 4.64 -1.27 -3.26 113.55 117.10 2rok h SER 491 Ca -0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 2rok h SER 491 Cb 2.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.13 2rok h SER 491 CO 0.07 0.00 0.00 2.29 -0.87 0.00 0.00 176.83 178.32 2rok n LYS 492 N -2.73 0.06 -0.05 4.77 2.85 -1.26 -1.64 118.16 120.17 2rok n LYS 492 Ca 0.01 0.56 0.11 0.00 -1.05 0.00 0.00 58.31 57.94 2rok n LYS 492 Cb 0.27 -1.70 0.12 0.00 -0.65 0.00 0.00 35.03 33.08 2rok n LYS 492 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2rok n TYR 493 N -1.83 0.12 -0.86 5.58 4.01 -1.23 -5.03 117.16 117.92 2rok n TYR 493 Ca -0.01 -0.07 -0.31 0.00 -0.16 0.00 0.00 57.90 57.35 2rok n TYR 493 Cb 0.02 -0.00 0.15 0.00 -0.31 0.00 0.00 39.34 39.19 2rok n TYR 493 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2rok s ALA 494 N -1.78 1.66 0.00 -0.72 0.00 -0.65 -5.01 121.76 115.26 2rok s ALA 494 Ca 0.29 0.59 0.00 0.00 0.00 0.00 0.00 51.96 52.84 2rok s ALA 494 Cb 0.20 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.89 2rok s ALA 494 CO 0.29 -2.53 0.06 -0.85 0.00 0.00 0.00 175.76 172.74 2rok n GLU 495 N -3.96 0.09 0.00 0.00 0.28 -1.26 -4.88 120.64 110.91 2rok n GLU 495 Ca 0.12 -0.06 0.00 0.00 -0.16 0.00 0.00 57.16 57.05 2rok n GLU 495 Cb 0.52 -0.48 0.00 0.00 1.43 0.00 0.00 31.44 32.91 2rok n GLU 495 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 2rok n SER 496 N -0.03 0.00 -3.35 -1.84 3.41 -1.26 -5.12 113.62 105.43 2rok n SER 496 Ca 0.00 -1.00 -0.09 0.00 -0.26 0.00 0.00 58.87 57.52 2rok n SER 496 Cb 0.17 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.11 2rok n SER 496 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 2rok s TYR 497 N 0.00 0.25 0.01 7.33 1.13 -1.26 -4.41 117.35 120.39 2rok s TYR 497 Ca 0.00 -0.75 -0.09 0.00 -1.41 0.00 0.00 57.07 54.82 2rok s TYR 497 Cb 0.00 0.56 0.01 0.00 -1.10 0.00 0.00 41.96 41.42 2rok s TYR 497 CO 0.00 -1.34 0.18 0.50 -2.51 0.00 0.00 175.55 172.38 2rok s ARG 498 N -3.06 0.55 0.03 -3.49 3.52 -0.28 -4.79 118.95 111.44 2rok s ARG 498 Ca 0.18 -0.41 0.04 0.00 -0.13 0.00 0.00 55.73 55.41 2rok s ARG 498 Cb -0.04 0.23 -0.02 0.00 -1.56 0.00 0.00 34.95 33.57 2rok s ARG 498 CO 0.12 -0.14 -0.12 0.42 -0.81 0.00 0.00 175.30 174.77 2rok s ILE 499 N -1.60 0.91 0.23 4.11 1.01 -1.26 -0.94 121.20 123.65 2rok s ILE 499 Ca -0.13 -0.85 -0.11 0.00 0.00 0.00 0.00 60.65 59.56 2rok s ILE 499 Cb -0.06 -0.83 -0.01 0.00 0.01 0.00 0.00 42.46 41.57 2rok s ILE 499 CO 0.01 -0.01 0.42 0.00 0.00 0.00 0.00 174.94 175.36 2rok s GLN 500 N -0.97 1.46 0.82 2.79 -2.07 -0.47 -4.96 119.66 116.26 2rok s GLN 500 Ca 0.00 -1.27 -0.11 0.00 -1.82 0.00 0.00 55.36 52.16 2rok s GLN 500 Cb -0.07 0.44 0.08 0.00 -1.09 0.00 0.00 33.01 32.37 2rok s GLN 500 CO 0.01 -0.59 1.09 0.95 -1.32 0.00 0.00 175.29 175.42 2rok s THR 501 N -4.02 3.11 0.33 3.63 -4.23 -1.26 -0.58 115.64 112.61 2rok s THR 501 Ca 0.23 0.36 0.02 0.00 -1.18 0.00 0.00 61.69 61.12 2rok s THR 501 Cb 0.01 -2.91 0.28 0.00 1.34 0.00 0.00 72.50 71.22 2rok s THR 501 CO 0.08 -0.47 1.95 0.22 -0.54 0.00 0.00 174.62 175.86 2rok h TYR 502 N -1.24 0.93 -0.54 3.99 5.03 -1.82 -1.52 116.97 121.79 2rok h TYR 502 Ca -0.46 0.02 -0.09 0.00 2.58 0.00 0.00 58.73 60.79 2rok h TYR 502 Cb 1.25 -0.31 -0.02 0.00 1.55 0.00 0.00 36.73 39.20 2rok h TYR 502 CO 0.51 0.51 -0.00 0.00 -1.32 0.00 0.00 178.16 177.86 2rok h ALA 503 N 1.55 0.97 -0.48 1.82 0.00 -1.92 -1.55 119.26 119.66 2rok h ALA 503 Ca 0.34 -0.29 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 2rok h ALA 503 Cb 0.14 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2rok h ALA 503 CO -0.11 0.62 -0.18 0.93 0.00 0.00 0.00 179.25 180.52 2rok h GLU 504 N 0.86 0.95 -0.37 0.00 4.39 -1.84 -0.66 114.58 117.90 2rok h GLU 504 Ca 0.16 -0.38 0.03 0.00 0.34 0.00 0.00 59.36 59.51 2rok h GLU 504 Cb 0.51 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.08 2rok h GLU 504 CO 0.03 1.04 0.18 -0.92 -1.16 0.00 0.00 179.01 178.17 2rok h TYR 505 N 0.83 0.32 -0.68 4.33 3.20 -1.10 -2.39 116.97 121.48 2rok h TYR 505 Ca 0.12 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.03 2rok h TYR 505 Cb 0.73 -0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.87 2rok h TYR 505 CO 0.05 0.17 0.43 0.28 -1.64 0.00 0.00 178.16 177.44 2rok h VAL 506 N 0.36 1.11 0.00 1.81 2.07 -1.22 -3.13 116.25 117.25 2rok h VAL 506 Ca 0.16 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 2rok h VAL 506 Cb 0.08 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 30.03 2rok h VAL 506 CO -0.12 0.16 -0.10 1.23 0.02 0.00 0.00 177.57 178.75 2rok h GLY 507 N 0.85 0.00 0.55 2.17 0.00 -0.59 -2.14 103.07 103.91 2rok h GLY 507 Ca 0.27 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.41 2rok h GLY 507 CO -0.09 0.00 -0.87 0.50 0.00 0.00 0.00 176.54 176.08 2rok h LYS 508 N 0.00 0.24 -0.11 4.80 6.56 -1.53 -3.40 116.57 123.13 2rok h LYS 508 Ca -0.00 -0.41 -0.00 0.00 -1.06 0.00 0.00 60.65 59.18 2rok h LYS 508 Cb 0.27 0.15 -0.01 0.00 -0.57 0.00 0.00 32.23 32.08 2rok h LYS 508 CO 0.01 1.20 0.06 0.87 -2.06 0.00 0.00 179.45 179.53 2rok h LYS 509 N -0.46 0.14 0.00 3.15 1.57 -1.34 -2.30 116.57 117.33 2rok h LYS 509 Ca -0.17 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 2rok h LYS 509 Cb 1.58 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.86 2rok h LYS 509 CO 0.10 0.11 0.01 -0.56 -0.57 0.00 0.00 179.45 178.54 2rok h GLN 510 N 0.15 0.00 0.00 3.15 3.07 -1.69 -2.00 115.11 117.79 2rok h GLN 510 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.78 2rok h GLN 510 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 2rok h GLN 510 CO -0.01 0.00 -1.37 1.17 0.09 0.00 0.00 178.83 178.71 2rok n LYS 511 N -2.88 0.27 -1.31 0.06 4.81 -0.87 -4.74 118.16 113.50 2rok n LYS 511 Ca -0.03 -0.08 -0.24 0.00 -0.87 0.00 0.00 58.31 57.10 2rok n LYS 511 Cb 0.07 -1.50 -0.09 0.00 0.02 0.00 0.00 35.03 33.53 2rok n LYS 511 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2rok n GLY 512 N 1.41 3.86 3.04 3.14 0.00 -0.75 -4.89 105.19 111.01 2rok n GLY 512 Ca 0.01 -1.56 -0.08 0.00 0.00 0.00 0.00 46.02 44.38 2rok n GLY 512 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2rok s LYS 513 N 0.10 0.46 0.28 1.61 2.20 -1.26 -5.05 119.74 118.07 2rok s LYS 513 Ca 0.63 -0.83 -0.02 0.00 -0.36 0.00 0.00 55.97 55.39 2rok s LYS 513 Cb 0.30 0.17 -0.02 0.00 -1.51 0.00 0.00 37.83 36.77 2rok s LYS 513 CO -0.09 -0.09 0.33 1.14 -0.36 0.00 0.00 175.35 176.28 2rok s GLN 514 N -2.46 1.58 -0.07 4.03 -2.07 -1.26 -5.10 119.66 114.32 2rok s GLN 514 Ca -0.07 -1.66 0.10 0.00 -1.82 0.00 0.00 55.36 51.91 2rok s GLN 514 Cb -0.03 0.37 0.15 0.00 -1.09 0.00 0.00 33.01 32.41 2rok s GLN 514 CO -0.04 -0.61 1.04 1.33 -1.32 0.00 0.00 175.29 175.69 2rok n VAL 515 N -0.44 1.08 -4.17 3.63 0.24 -1.26 -5.07 118.33 112.34 2rok n VAL 515 Ca 0.02 -1.27 -0.11 0.00 -2.04 0.00 0.00 64.34 60.94 2rok n VAL 515 Cb 0.63 0.16 -0.09 0.00 -1.47 0.00 0.00 33.84 33.07 2rok n VAL 515 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 2rok s LYS 516 N -1.58 1.25 0.27 7.34 -2.85 -1.26 -5.19 119.74 117.72 2rok s LYS 516 Ca 0.16 -1.57 0.02 0.00 -1.00 0.00 0.00 55.97 53.58 2rok s LYS 516 Cb 0.14 0.30 -0.01 0.00 -2.06 0.00 0.00 37.83 36.21 2rok s LYS 516 CO 0.02 -0.43 0.32 0.45 0.10 0.00 0.00 175.35 175.80 2rok n SER 517 N -0.28 -0.85 -3.27 0.03 2.88 -1.26 -5.13 113.62 105.73 2rok n SER 517 Ca 0.01 -2.59 -0.26 0.00 -1.33 0.00 0.00 58.87 54.71 2rok n SER 517 Cb 0.65 1.71 -0.07 0.00 -0.75 0.00 0.00 64.21 65.75 2rok n SER 517 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2rok n GLY 518 N -0.47 4.35 0.03 0.46 0.00 -1.26 -4.96 105.19 103.33 2rok n GLY 518 Ca 0.03 -2.38 0.06 0.00 0.00 0.00 0.00 46.02 43.73 2rok n GLY 518 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2rok n PRO 519 N 0.77 0.04 0.29 1.61 -0.04 -1.26 -2.36 135.00 134.05 2rok n PRO 519 Ca 0.27 0.35 0.18 0.00 -0.04 0.00 0.00 63.50 64.27 2rok n PRO 519 Cb 0.46 -1.58 0.78 0.00 -0.04 0.00 0.00 33.50 33.12 2rok n PRO 519 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2rok h SER 520 N 0.00 0.00 -4.16 3.54 4.64 -2.08 -3.45 113.55 112.03 2rok h SER 520 Ca 0.00 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.80 2rok h SER 520 Cb 0.19 0.00 0.12 0.00 -0.31 0.00 0.00 62.40 62.41 2rok h SER 520 CO 0.00 0.01 0.40 -0.44 -0.87 0.00 0.00 176.83 175.93 2rok s SER 521 N -5.62 4.78 0.00 4.97 0.01 -1.00 -5.35 113.70 111.49 2rok s SER 521 Ca -0.00 2.23 0.00 0.00 1.31 0.00 0.00 55.95 59.49 2rok s SER 521 Cb 0.10 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.75 2rok s SER 521 CO 0.52 -1.86 0.00 0.61 0.41 0.00 0.00 173.24 172.92