#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 -0.17 0.89 1.61 1.04 -1.26 -5.18 113.70 110.62 2rok s SER 424 Ca 0.00 -0.61 -0.11 0.00 0.48 0.00 0.00 55.95 55.71 2rok s SER 424 Cb 0.00 0.55 0.13 0.00 0.10 0.00 0.00 66.02 66.79 2rok s SER 424 CO 0.00 -1.02 1.10 -0.94 0.98 0.00 0.00 173.24 173.35 2rok s SER 425 N -2.91 3.42 0.00 7.02 1.04 -1.26 -4.90 113.70 116.12 2rok s SER 425 Ca 0.12 1.75 0.00 0.00 0.48 0.00 0.00 55.95 58.30 2rok s SER 425 Cb -0.00 -2.38 0.00 0.00 0.10 0.00 0.00 66.02 63.74 2rok s SER 425 CO -0.01 -2.71 0.00 0.61 0.98 0.00 0.00 173.24 172.11 2rok n GLY 426 N -0.67 0.26 3.23 7.32 0.00 -1.26 -5.04 105.19 109.02 2rok n GLY 426 Ca 0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.98 2rok n GLY 426 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2rok s SER 427 N 0.00 -0.14 0.69 1.61 0.15 -1.26 -1.77 113.70 112.98 2rok s SER 427 Ca 0.00 -0.02 -0.13 0.00 0.70 0.00 0.00 55.95 56.49 2rok s SER 427 Cb 0.00 0.31 0.01 0.00 -1.71 0.00 0.00 66.02 64.63 2rok s SER 427 CO 0.00 -0.48 1.09 -0.94 1.20 0.00 0.00 173.24 174.11 2rok s SER 428 N -1.53 5.07 0.00 5.45 1.04 -1.26 -4.63 113.70 117.84 2rok s SER 428 Ca -0.11 1.86 0.00 0.00 0.48 0.00 0.00 55.95 58.18 2rok s SER 428 Cb -0.04 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.55 2rok s SER 428 CO 0.02 -1.66 0.00 0.61 0.98 0.00 0.00 173.24 173.19 2rok n GLY 429 N -1.00 0.00 0.00 7.32 0.00 -0.32 -4.95 105.19 106.23 2rok n GLY 429 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2rok n GLY 429 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rok n GLY 430 N -0.01 1.89 0.34 -0.02 0.00 -1.26 -4.92 105.19 101.21 2rok n GLY 430 Ca 0.00 -0.22 0.17 0.00 0.00 0.00 0.00 46.02 45.97 2rok n GLY 430 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2rok h PRO 431 N 0.00 0.00 -3.94 1.61 0.11 -1.98 -3.42 132.00 124.39 2rok h PRO 431 Ca 0.00 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.99 2rok h PRO 431 Cb 0.00 0.00 -0.17 0.00 0.11 0.00 0.00 31.00 30.94 2rok h PRO 431 CO 0.00 0.00 -0.57 0.34 -0.21 0.00 0.00 178.00 177.56 2rok s ASP 432 N -6.11 0.26 0.00 -2.05 2.15 -1.26 -5.09 116.67 104.57 2rok s ASP 432 Ca -0.05 -0.67 0.15 0.00 0.43 0.00 0.00 52.55 52.42 2rok s ASP 432 Cb 0.17 0.22 0.25 0.00 -0.30 0.00 0.00 42.92 43.26 2rok s ASP 432 CO 0.63 -0.54 1.08 0.18 -0.17 0.00 0.00 175.17 176.36 2rok n LEU 433 N 0.59 0.53 -3.52 -1.34 4.77 -1.26 -1.17 117.00 115.60 2rok n LEU 433 Ca -0.18 -1.65 -0.27 0.00 -0.03 0.00 0.00 56.01 53.88 2rok n LEU 433 Cb 0.59 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.59 2rok n LEU 433 CO 0.24 0.49 -0.06 0.00 -1.33 0.00 0.00 177.39 176.74 2rok n GLN 434 N 0.30 1.78 -1.24 3.23 6.02 -1.26 -4.81 117.38 121.40 2rok n GLN 434 Ca 0.02 -4.23 -0.31 0.00 -0.01 0.00 0.00 57.00 52.48 2rok n GLN 434 Cb 0.96 -2.03 0.10 0.00 1.02 0.00 0.00 30.24 30.29 2rok n GLN 434 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2rok s PRO 435 N -1.71 2.00 0.00 -1.09 0.04 -1.26 -4.20 135.00 128.78 2rok s PRO 435 Ca 0.34 1.09 0.00 0.00 0.04 0.00 0.00 61.00 62.47 2rok s PRO 435 Cb 0.09 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.75 2rok s PRO 435 CO -0.09 -1.80 0.18 1.63 0.04 0.00 0.00 177.00 176.96 2rok n LYS 436 N -3.62 0.19 0.00 4.56 5.02 -0.73 -1.86 118.16 121.73 2rok n LYS 436 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 2rok n LYS 436 Cb 0.53 -1.01 0.00 0.00 -0.02 0.00 0.00 35.03 34.53 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 -0.38 1.30 0.29 1.97 5.12 -1.26 -4.82 116.66 118.88 2rok n ARG 437 Ca 0.00 -0.97 0.14 0.00 -1.93 0.00 0.00 57.85 55.09 2rok n ARG 437 Cb 0.01 -0.87 0.86 0.00 -1.16 0.00 0.00 32.46 31.30 2rok n ARG 437 CO 0.00 0.00 0.00 0.22 -1.93 0.00 0.00 177.63 175.92 2rok h ASP 438 N 0.00 0.00 -0.38 0.55 3.58 -1.73 -2.13 116.42 116.31 2rok h ASP 438 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2rok h ASP 438 Cb 0.47 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.52 2rok h ASP 438 CO 0.00 0.01 0.00 0.00 -2.88 0.00 0.00 179.24 176.37 2rok n HIS 439 N -3.94 1.28 -4.43 0.28 1.44 -1.26 -4.88 115.22 103.70 2rok n HIS 439 Ca -0.03 -0.45 -0.24 0.00 -2.01 0.00 0.00 57.72 54.99 2rok n HIS 439 Cb 0.09 -0.33 -0.13 0.00 0.12 0.00 0.00 29.99 29.74 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 -2.06 1.58 0.33 0.61 1.01 -0.80 -1.70 120.40 119.38 2rok s VAL 440 Ca 0.35 -1.32 0.10 0.00 0.00 0.00 0.00 61.98 61.10 2rok s VAL 440 Cb 0.26 -1.42 -0.06 0.00 0.00 0.00 0.00 36.38 35.16 2rok s VAL 440 CO 0.11 0.04 -0.07 -0.76 0.00 0.00 0.00 175.10 174.43 2rok s LEU 441 N -1.51 2.81 -0.02 3.92 1.43 -0.01 -1.85 118.68 123.45 2rok s LEU 441 Ca 0.06 -1.09 0.07 0.00 -1.03 0.00 0.00 54.13 52.13 2rok s LEU 441 Cb -0.09 -1.15 -0.02 0.00 0.03 0.00 0.00 46.19 44.96 2rok s LEU 441 CO 0.03 -0.17 -0.22 -2.28 0.23 0.00 0.00 176.35 173.93 2rok s HIS 442 N -2.56 2.01 0.01 0.29 5.65 0.21 -1.06 115.29 119.85 2rok s HIS 442 Ca 0.33 -0.42 0.04 0.00 0.25 0.00 0.00 55.06 55.26 2rok s HIS 442 Cb 0.00 -1.30 -0.01 0.00 -1.18 0.00 0.00 32.58 30.09 2rok s HIS 442 CO 0.17 -0.06 -0.12 0.08 -0.65 0.00 0.00 174.74 174.17 2rok s VAL 443 N -0.45 0.92 -0.03 0.89 1.01 -0.03 -1.02 120.40 121.69 2rok s VAL 443 Ca 0.06 -0.65 0.04 0.00 0.00 0.00 0.00 61.98 61.43 2rok s VAL 443 Cb -0.09 -0.80 -0.00 0.00 0.00 0.00 0.00 36.38 35.49 2rok s VAL 443 CO -0.00 0.15 -0.14 -0.89 0.00 0.00 0.00 175.10 174.21 2rok s THR 444 N -0.48 1.17 0.11 3.92 2.01 -0.29 -2.19 115.64 119.89 2rok s THR 444 Ca 0.03 -0.58 -0.25 0.00 0.31 0.00 0.00 61.69 61.20 2rok s THR 444 Cb -0.06 -1.01 0.07 0.00 0.01 0.00 0.00 72.50 71.52 2rok s THR 444 CO 0.00 0.34 0.62 0.72 -0.69 0.00 0.00 174.62 175.61 2rok s PHE 445 N 0.04 -0.56 0.50 4.92 -0.12 -0.63 -0.99 117.98 121.13 2rok s PHE 445 Ca -0.02 0.50 -0.22 0.00 -0.05 0.00 0.00 56.93 57.13 2rok s PHE 445 Cb -0.10 0.53 -0.08 0.00 -0.63 0.00 0.00 43.02 42.75 2rok s PHE 445 CO 0.01 -0.80 1.12 -2.30 -0.05 0.00 0.00 175.22 173.20 2rok n PRO 446 N -0.11 1.40 0.21 1.99 -0.02 -1.26 -4.59 135.00 132.62 2rok n PRO 446 Ca -0.17 0.51 0.18 0.00 -2.02 0.00 0.00 63.50 62.00 2rok n PRO 446 Cb 0.63 -2.25 0.83 0.00 -0.02 0.00 0.00 33.50 32.69 2rok n PRO 446 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 2rok h LYS 447 N 1.32 0.00 0.00 -0.52 2.10 -1.93 -1.89 116.57 115.65 2rok h LYS 447 Ca -0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 2rok h LYS 447 Cb 1.33 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.66 2rok h LYS 447 CO 0.56 0.00 0.00 0.93 -2.00 0.00 0.00 179.45 178.94 2rok h GLU 448 N 0.00 0.00 -7.19 0.07 5.08 -1.90 -3.45 114.58 107.18 2rok h GLU 448 Ca 0.09 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.92 2rok h GLU 448 Cb 0.61 0.00 0.16 0.00 0.50 0.00 0.00 28.75 30.02 2rok h GLU 448 CO -0.00 0.00 0.37 -1.58 -1.00 0.00 0.00 179.01 176.80 2rok s TRP 449 N -3.62 2.03 0.14 4.33 0.52 -0.71 -5.07 118.94 116.56 2rok s TRP 449 Ca 0.01 1.62 -0.01 0.00 0.02 0.00 0.00 56.10 57.74 2rok s TRP 449 Cb 0.09 -3.43 -0.04 0.00 -1.15 0.00 0.00 33.47 28.94 2rok s TRP 449 CO 0.43 -2.58 0.06 0.15 0.02 0.00 0.00 176.95 175.02 2rok s LYS 450 N -4.04 0.97 0.46 4.98 1.02 -1.26 -5.03 119.74 116.84 2rok s LYS 450 Ca 0.73 -1.47 0.15 0.00 0.02 0.00 0.00 55.97 55.40 2rok s LYS 450 Cb -0.28 0.20 1.11 0.00 -0.52 0.00 0.00 37.83 38.35 2rok s LYS 450 CO 0.47 -0.26 2.02 1.15 -0.92 0.00 0.00 175.35 177.81 2rok h THR 451 N 2.82 0.91 -0.47 2.17 2.02 -1.99 -1.42 112.91 116.95 2rok h THR 451 Ca -0.35 -0.10 -0.08 0.00 0.77 0.00 0.00 66.41 66.64 2rok h THR 451 Cb 1.20 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 68.19 2rok h THR 451 CO 0.59 0.05 -0.03 0.28 0.37 0.00 0.00 175.52 176.78 2rok h SER 452 N 0.29 0.85 0.13 4.18 0.02 -1.98 0.12 113.55 117.15 2rok h SER 452 Ca 0.22 -0.32 -0.07 0.00 -0.84 0.00 0.00 61.79 60.78 2rok h SER 452 Cb 0.48 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 2rok h SER 452 CO -0.05 0.97 -0.23 0.44 -1.14 0.00 0.00 176.83 176.82 2rok h ASP 453 N 0.70 0.18 -0.17 3.07 3.32 -1.71 -1.01 116.42 120.81 2rok h ASP 453 Ca 0.13 -0.05 -0.09 0.00 0.02 0.00 0.00 57.03 57.04 2rok h ASP 453 Cb 0.55 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.05 2rok h ASP 453 CO 0.03 0.43 -0.25 -0.07 -1.72 0.00 0.00 179.24 177.66 2rok h LEU 454 N 0.17 0.51 -1.19 1.55 3.38 -1.10 -0.73 115.31 117.90 2rok h LEU 454 Ca 0.03 -0.52 0.06 0.00 0.09 0.00 0.00 57.88 57.54 2rok h LEU 454 Cb 0.51 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.06 2rok h LEU 454 CO 0.04 0.93 0.57 1.88 0.09 0.00 0.00 178.44 181.94 2rok h TYR 455 N 0.10 1.00 -0.47 1.13 0.05 -0.80 -2.27 116.97 115.71 2rok h TYR 455 Ca 0.02 0.03 -0.13 0.00 0.05 0.00 0.00 58.73 58.69 2rok h TYR 455 Cb 0.82 -0.33 -0.01 0.00 1.01 0.00 0.00 36.73 38.22 2rok h TYR 455 CO 0.09 0.53 -0.22 0.37 -1.05 0.00 0.00 178.16 177.88 2rok h GLN 456 N 0.98 0.97 -0.44 4.88 5.75 -1.07 -1.55 115.11 124.63 2rok h GLN 456 Ca 0.37 -0.42 -0.06 0.00 -0.15 0.00 0.00 58.65 58.40 2rok h GLN 456 Cb 0.20 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.70 2rok h GLN 456 CO -0.14 1.09 0.04 1.25 -2.65 0.00 0.00 178.83 178.42 2rok h LEU 457 N 0.82 0.66 -2.86 -2.39 5.85 -0.76 -3.14 115.31 113.49 2rok h LEU 457 Ca 0.10 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.69 2rok h LEU 457 Cb 0.80 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.65 2rok h LEU 457 CO 0.07 0.71 0.00 0.49 -0.34 0.00 0.00 178.44 179.36 2rok n PHE 458 N -4.26 0.69 -0.02 1.25 3.72 -0.89 -4.64 117.46 113.31 2rok n PHE 458 Ca 0.03 -0.51 0.15 0.00 -0.05 0.00 0.00 57.45 57.07 2rok n PHE 458 Cb 0.26 -0.03 0.60 0.00 -0.94 0.00 0.00 39.48 39.36 2rok n PHE 458 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2rok h SER 459 N 2.87 0.17 0.00 4.37 0.87 -1.23 -2.44 113.55 118.16 2rok h SER 459 Ca 0.00 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2rok h SER 459 Cb 0.86 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.79 2rok h SER 459 CO 0.01 0.10 0.04 0.00 -0.53 0.00 0.00 176.83 176.46 2rok h ALA 460 N 1.74 1.03 -0.03 6.23 0.00 -1.84 -2.60 119.26 123.80 2rok h ALA 460 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2rok h ALA 460 Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2rok h ALA 460 CO -0.04 -0.03 -0.05 1.19 0.00 0.00 0.00 179.25 180.32 2rok n PHE 461 N -2.29 0.00 0.00 0.00 3.72 -0.92 -5.01 117.46 112.96 2rok n PHE 461 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 2rok n PHE 461 Cb 0.08 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.62 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 1.25 0.94 3.15 1.37 0.00 -0.98 -4.80 105.19 106.12 2rok n GLY 462 Ca 0.12 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.36 0.29 1.61 2.47 -1.26 -5.08 114.94 112.60 2rok s ASN 463 Ca 0.00 0.67 -0.03 0.00 0.42 0.00 0.00 52.86 53.92 2rok s ASN 463 Cb 0.00 0.56 -0.01 0.00 -1.45 0.00 0.00 41.25 40.35 2rok s ASN 463 CO 0.00 -0.17 0.37 0.27 -3.72 0.00 0.00 177.10 173.85 2rok s ILE 464 N 1.23 0.00 0.02 -5.21 -4.36 -1.26 -3.41 121.20 108.20 2rok s ILE 464 Ca -0.09 -1.70 0.01 0.00 -0.26 0.00 0.00 60.65 58.61 2rok s ILE 464 Cb -0.09 -2.49 -0.01 0.00 1.25 0.00 0.00 42.46 41.11 2rok s ILE 464 CO -0.09 0.00 -0.03 -1.58 0.24 0.00 0.00 174.94 173.47 2rok s GLN 465 N -3.58 0.29 -0.07 0.37 -0.44 -0.56 -4.99 119.66 110.69 2rok s GLN 465 Ca 0.32 -0.46 0.02 0.00 -2.50 0.00 0.00 55.36 52.74 2rok s GLN 465 Cb 0.02 -0.04 0.01 0.00 -1.64 0.00 0.00 33.01 31.36 2rok s GLN 465 CO 0.17 -0.00 -0.14 0.42 0.50 0.00 0.00 175.29 176.24 2rok s ILE 466 N -0.99 1.24 -0.34 -2.34 1.01 -1.26 -0.80 121.20 117.72 2rok s ILE 466 Ca -0.10 -0.54 -0.01 0.00 0.00 0.00 0.00 60.65 60.01 2rok s ILE 466 Cb -0.07 -1.12 0.12 0.00 0.01 0.00 0.00 42.46 41.40 2rok s ILE 466 CO -0.00 0.38 0.17 -0.44 0.00 0.00 0.00 174.94 175.04 2rok s SER 467 N 0.62 3.44 0.76 3.58 0.01 -0.32 -5.02 113.70 116.77 2rok s SER 467 Ca -0.15 -1.89 -0.15 0.00 1.31 0.00 0.00 55.95 55.07 2rok s SER 467 Cb -0.16 -0.57 0.02 0.00 0.21 0.00 0.00 66.02 65.52 2rok s SER 467 CO 0.04 -0.36 0.89 0.79 0.41 0.00 0.00 173.24 175.01 2rok n TRP 468 N 4.47 0.35 0.00 2.43 7.02 -1.26 -0.72 117.44 129.73 2rok n TRP 468 Ca 0.04 0.38 0.00 0.00 -1.02 0.00 0.00 57.50 56.89 2rok n TRP 468 Cb 0.39 -2.03 0.00 0.00 -2.42 0.00 0.00 31.31 27.25 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 -2.73 0.00 -3.42 -0.99 -5.35 -1.07 -4.82 119.36 100.98 2rok n ILE 469 Ca 0.12 0.00 -0.05 0.00 -0.27 0.00 0.00 62.75 62.55 2rok n ILE 469 Cb 0.50 -0.33 0.02 0.00 -1.74 0.00 0.00 39.64 38.09 2rok n ILE 469 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 2rok n ASP 470 N -1.03 -1.20 0.30 7.28 5.68 -1.07 -5.03 116.55 121.49 2rok n ASP 470 Ca 0.00 -1.82 0.19 0.00 -0.50 0.00 0.00 54.79 52.66 2rok n ASP 470 Cb 0.17 1.99 1.01 0.00 -1.14 0.00 0.00 41.12 43.16 2rok n ASP 470 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 2rok h ASP 471 N 1.03 0.00 0.00 -1.12 5.19 -1.99 -3.23 116.42 116.30 2rok h ASP 471 Ca -0.17 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.24 2rok h ASP 471 Cb 0.64 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.15 2rok h ASP 471 CO 0.22 0.00 0.00 0.35 -3.12 0.00 0.00 179.24 176.69 2rok n THR 472 N -3.31 0.15 -3.88 0.35 -2.24 -1.26 -4.41 114.28 99.68 2rok n THR 472 Ca -0.02 -0.22 -0.11 0.00 -2.27 0.00 0.00 64.05 61.43 2rok n THR 472 Cb 0.19 1.25 -0.11 0.00 -2.10 0.00 0.00 70.33 69.57 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 -0.15 0.04 0.06 3.42 0.01 -1.22 -1.61 113.70 114.25 2rok s SER 473 Ca 0.00 -0.17 -0.16 0.00 1.31 0.00 0.00 55.95 56.93 2rok s SER 473 Cb 0.00 0.20 0.03 0.00 0.21 0.00 0.00 66.02 66.46 2rok s SER 473 CO 0.00 -0.29 0.37 0.00 0.41 0.00 0.00 173.24 173.73 2rok s ALA 474 N -1.10 -0.88 0.28 1.44 0.00 -0.93 -2.58 121.76 117.98 2rok s ALA 474 Ca -0.12 0.11 -0.09 0.00 0.00 0.00 0.00 51.96 51.86 2rok s ALA 474 Cb -0.07 0.43 -0.07 0.00 0.00 0.00 0.00 23.12 23.41 2rok s ALA 474 CO 0.01 -0.49 0.60 -0.06 0.00 0.00 0.00 175.76 175.82 2rok s PHE 475 N -2.87 3.43 -0.11 0.00 0.08 0.10 -0.85 117.98 117.78 2rok s PHE 475 Ca -0.03 0.89 -0.03 0.00 0.12 0.00 0.00 56.93 57.89 2rok s PHE 475 Cb 0.00 -2.29 0.04 0.00 -0.57 0.00 0.00 43.02 40.21 2rok s PHE 475 CO -0.05 0.18 0.05 0.08 -0.10 0.00 0.00 175.22 175.38 2rok s VAL 476 N -1.96 0.12 0.19 -0.44 1.01 -0.22 -1.17 120.40 117.92 2rok s VAL 476 Ca 0.48 0.05 -0.25 0.00 0.00 0.00 0.00 61.98 62.25 2rok s VAL 476 Cb -0.11 -0.49 -0.08 0.00 0.00 0.00 0.00 36.38 35.69 2rok s VAL 476 CO 0.24 0.02 0.80 -0.44 0.00 0.00 0.00 175.10 175.72 2rok s SER 477 N 2.06 7.38 0.07 3.32 0.01 0.02 -0.83 113.70 125.74 2rok s SER 477 Ca 0.03 1.67 0.09 0.00 1.31 0.00 0.00 55.95 59.04 2rok s SER 477 Cb -0.14 -2.51 -0.03 0.00 0.21 0.00 0.00 66.02 63.55 2rok s SER 477 CO -0.06 0.18 -0.23 -0.76 0.41 0.00 0.00 173.24 172.78 2rok s LEU 478 N -1.28 2.23 0.36 2.44 1.43 -0.69 -1.49 118.68 121.69 2rok s LEU 478 Ca 0.38 -0.62 0.27 0.00 -1.03 0.00 0.00 54.13 53.13 2rok s LEU 478 Cb -0.23 -1.04 1.25 0.00 0.03 0.00 0.00 46.19 46.20 2rok s LEU 478 CO 0.26 0.15 1.80 0.28 0.23 0.00 0.00 176.35 179.08 2rok h SER 479 N 4.47 0.00 -4.74 2.29 0.02 -1.86 -3.43 113.55 110.30 2rok h SER 479 Ca -0.46 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.31 2rok h SER 479 Cb 1.16 0.00 -0.22 0.00 0.14 0.00 0.00 62.40 63.48 2rok h SER 479 CO 0.42 0.00 -0.69 -1.10 -1.14 0.00 0.00 176.83 174.32 2rok s GLN 480 N -3.53 0.26 0.54 3.45 -0.21 -1.26 -5.06 119.66 113.85 2rok s GLN 480 Ca 0.01 -0.48 0.32 0.00 0.02 0.00 0.00 55.36 55.23 2rok s GLN 480 Cb 0.09 0.09 1.33 0.00 1.00 0.00 0.00 33.01 35.52 2rok s GLN 480 CO 0.35 -0.04 1.97 -1.00 -2.12 0.00 0.00 175.29 174.45 2rok h PRO 481 N 4.92 0.00 -0.15 2.91 0.13 -1.90 -2.66 132.00 135.24 2rok h PRO 481 Ca -0.30 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.75 2rok h PRO 481 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 2rok h PRO 481 CO 0.43 0.04 -0.25 0.93 -0.23 0.00 0.00 178.00 178.91 2rok h GLU 482 N 0.00 0.28 -0.07 0.86 5.08 -1.97 -3.06 114.58 115.71 2rok h GLU 482 Ca -0.00 -0.09 -0.08 0.00 -1.00 0.00 0.00 59.36 58.18 2rok h GLU 482 Cb 0.53 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 2rok h GLU 482 CO 0.00 0.52 -0.33 1.96 -1.00 0.00 0.00 179.01 180.16 2rok h GLN 483 N 0.25 0.13 -0.40 2.33 4.20 -1.88 -2.66 115.11 117.07 2rok h GLN 483 Ca 0.04 -0.05 0.02 0.00 0.06 0.00 0.00 58.65 58.73 2rok h GLN 483 Cb 0.59 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.33 2rok h GLN 483 CO 0.04 0.45 0.23 0.28 -0.67 0.00 0.00 178.83 179.16 2rok h VAL 484 N 0.11 1.02 -0.62 -0.54 2.07 -1.62 -1.27 116.25 115.41 2rok h VAL 484 Ca 0.01 -0.16 -0.05 0.00 0.82 0.00 0.00 66.70 67.33 2rok h VAL 484 Cb 0.65 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 2rok h VAL 484 CO 0.05 0.08 0.20 -0.61 0.02 0.00 0.00 177.57 177.32 2rok h GLN 485 N 0.46 0.95 -0.61 1.57 4.15 -1.55 -2.46 115.11 117.63 2rok h GLN 485 Ca 0.17 -0.20 -0.03 0.00 0.77 0.00 0.00 58.65 59.35 2rok h GLN 485 Cb 0.03 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 27.56 2rok h GLN 485 CO -0.09 0.84 0.25 0.82 -1.93 0.00 0.00 178.83 178.72 2rok h ILE 486 N 0.88 1.23 -0.77 2.39 2.04 -1.22 -0.56 117.51 121.50 2rok h ILE 486 Ca 0.20 -0.70 -0.05 0.00 1.00 0.00 0.00 64.86 65.31 2rok h ILE 486 Cb 0.27 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 36.88 2rok h ILE 486 CO -0.01 0.28 0.29 0.00 0.00 0.00 0.00 178.15 178.71 2rok h ALA 487 N 1.10 1.05 -0.49 1.87 0.00 -1.12 -0.70 119.26 120.96 2rok h ALA 487 Ca 0.20 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 2rok h ALA 487 Cb 0.19 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2rok h ALA 487 CO -0.02 0.66 0.00 0.28 0.00 0.00 0.00 179.25 180.18 2rok h VAL 488 N 1.13 1.26 -0.71 0.00 2.07 -1.26 -1.51 116.25 117.23 2rok h VAL 488 Ca 0.26 -1.07 -0.01 0.00 0.82 0.00 0.00 66.70 66.69 2rok h VAL 488 Cb 0.24 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 2rok h VAL 488 CO -0.02 0.37 0.40 -1.13 0.02 0.00 0.00 177.57 177.22 2rok h ASN 489 N 0.73 0.87 0.93 0.57 -1.24 -0.78 -3.11 115.58 113.55 2rok h ASN 489 Ca 0.14 -0.06 -0.21 0.00 0.71 0.00 0.00 56.30 56.88 2rok h ASN 489 Cb 0.51 -0.22 -0.03 0.00 0.73 0.00 0.00 38.32 39.30 2rok h ASN 489 CO 0.02 0.70 -1.13 0.71 -1.29 0.00 0.00 177.43 176.44 2rok h THR 490 N 0.99 1.27 0.00 -3.57 1.35 -1.07 -3.25 112.91 108.63 2rok h THR 490 Ca 0.25 -2.94 0.00 0.00 -0.55 0.00 0.00 66.41 63.17 2rok h THR 490 Cb 0.01 2.61 0.00 0.00 -1.73 0.00 0.00 68.15 69.04 2rok h THR 490 CO -0.04 0.72 0.00 -1.28 -0.25 0.00 0.00 175.52 174.67 2rok h SER 491 N 0.00 0.00 -0.54 5.36 0.87 -1.20 -2.35 113.55 115.69 2rok h SER 491 Ca -0.09 0.00 0.16 0.00 -1.23 0.00 0.00 61.79 60.63 2rok h SER 491 Cb 1.75 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.69 2rok h SER 491 CO 0.10 0.00 0.53 0.50 -0.53 0.00 0.00 176.83 177.43 2rok h LYS 492 N 0.00 0.00 -0.19 2.24 3.64 -1.59 -2.49 116.57 118.18 2rok h LYS 492 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2rok h LYS 492 Cb 0.04 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 2rok h LYS 492 CO 0.00 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 177.84 2rok n TYR 493 N -3.79 0.26 -1.31 1.91 4.01 -0.88 -5.05 117.16 112.31 2rok n TYR 493 Ca 0.10 -0.51 -0.33 0.00 -0.16 0.00 0.00 57.90 57.01 2rok n TYR 493 Cb 0.74 -0.04 0.10 0.00 -0.31 0.00 0.00 39.34 39.83 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 -1.03 2.07 0.00 -0.72 0.00 -0.94 -5.00 121.76 116.14 2rok s ALA 494 Ca 0.13 0.65 0.00 0.00 0.00 0.00 0.00 51.96 52.74 2rok s ALA 494 Cb 0.07 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.79 2rok s ALA 494 CO 0.09 -1.93 0.00 -0.85 0.00 0.00 0.00 175.76 173.06 2rok n GLU 495 N -3.12 0.00 0.00 0.00 0.28 -1.26 -4.90 120.64 111.63 2rok n GLU 495 Ca 0.12 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.12 2rok n GLU 495 Cb 0.51 -0.22 0.00 0.00 1.43 0.00 0.00 31.44 33.16 2rok n GLU 495 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 2rok n SER 496 N 0.00 0.20 -3.26 -1.84 7.64 -1.26 -5.12 113.62 109.98 2rok n SER 496 Ca 0.00 -1.07 -0.09 0.00 1.01 0.00 0.00 58.87 58.72 2rok n SER 496 Cb 0.11 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 2rok n SER 496 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 2rok s TYR 497 N -0.07 0.18 -0.05 1.43 1.13 -1.26 -4.38 117.35 114.33 2rok s TYR 497 Ca 0.00 -0.73 -0.10 0.00 -1.41 0.00 0.00 57.07 54.82 2rok s TYR 497 Cb 0.00 0.65 0.02 0.00 -1.10 0.00 0.00 41.96 41.53 2rok s TYR 497 CO 0.00 -1.40 0.25 0.50 -2.51 0.00 0.00 175.55 172.39 2rok s ARG 498 N -2.90 0.45 0.00 -3.49 3.52 -0.16 -4.84 118.95 111.54 2rok s ARG 498 Ca 0.17 0.02 0.03 0.00 -0.13 0.00 0.00 55.73 55.82 2rok s ARG 498 Cb -0.04 0.20 -0.01 0.00 -1.56 0.00 0.00 34.95 33.54 2rok s ARG 498 CO 0.11 -0.10 -0.10 0.42 -0.81 0.00 0.00 175.30 174.82 2rok s ILE 499 N -0.64 0.79 0.12 4.11 1.01 -1.26 -1.14 121.20 124.19 2rok s ILE 499 Ca -0.07 -0.55 -0.04 0.00 0.00 0.00 0.00 60.65 59.99 2rok s ILE 499 Cb -0.04 -0.69 -0.03 0.00 0.01 0.00 0.00 42.46 41.72 2rok s ILE 499 CO 0.02 0.14 0.13 0.00 0.00 0.00 0.00 174.94 175.22 2rok s GLN 500 N -0.46 0.94 0.76 2.79 -2.07 -0.19 -4.89 119.66 116.53 2rok s GLN 500 Ca 0.02 -1.27 -0.11 0.00 -1.82 0.00 0.00 55.36 52.19 2rok s GLN 500 Cb -0.05 0.29 0.05 0.00 -1.09 0.00 0.00 33.01 32.21 2rok s GLN 500 CO -0.00 -0.29 1.08 0.95 -1.32 0.00 0.00 175.29 175.71 2rok s THR 501 N -3.98 3.50 0.40 3.63 -4.23 -1.26 -0.62 115.64 113.08 2rok s THR 501 Ca 0.17 0.49 0.07 0.00 -1.18 0.00 0.00 61.69 61.23 2rok s THR 501 Cb 0.06 -3.13 0.25 0.00 1.34 0.00 0.00 72.50 71.02 2rok s THR 501 CO -0.02 -0.64 2.04 0.22 -0.54 0.00 0.00 174.62 175.68 2rok h TYR 502 N -0.99 0.52 -0.60 3.99 5.03 -1.64 -1.82 116.97 121.46 2rok h TYR 502 Ca -0.45 0.01 -0.05 0.00 2.58 0.00 0.00 58.73 60.81 2rok h TYR 502 Cb 1.24 -0.17 -0.03 0.00 1.55 0.00 0.00 36.73 39.31 2rok h TYR 502 CO 0.56 0.35 0.15 0.00 -1.32 0.00 0.00 178.16 177.90 2rok h ALA 503 N 1.72 1.15 -0.46 1.82 0.00 -1.88 -0.57 119.26 121.04 2rok h ALA 503 Ca 0.15 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 2rok h ALA 503 Cb -0.02 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 2rok h ALA 503 CO -0.03 0.58 -0.03 0.93 0.00 0.00 0.00 179.25 180.71 2rok h GLU 504 N 0.89 0.82 -0.33 0.00 4.39 -1.83 -0.42 114.58 118.09 2rok h GLU 504 Ca 0.19 -0.28 0.04 0.00 0.34 0.00 0.00 59.36 59.66 2rok h GLU 504 Cb 0.30 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.85 2rok h GLU 504 CO -0.00 0.89 0.10 -0.92 -1.16 0.00 0.00 179.01 177.92 2rok h TYR 505 N 0.67 0.17 -0.61 4.33 3.20 -1.05 -1.45 116.97 122.24 2rok h TYR 505 Ca 0.13 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.04 2rok h TYR 505 Cb 0.54 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.74 2rok h TYR 505 CO 0.04 0.06 0.38 0.28 -1.64 0.00 0.00 178.16 177.28 2rok h VAL 506 N 0.23 1.09 -0.63 1.81 2.07 -1.06 -0.97 116.25 118.79 2rok h VAL 506 Ca 0.15 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 67.38 2rok h VAL 506 Cb 0.14 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.15 2rok h VAL 506 CO -0.17 0.14 0.24 1.23 0.02 0.00 0.00 177.57 179.03 2rok h GLY 507 N 0.75 0.99 1.83 2.17 0.00 -0.58 -1.08 103.07 107.15 2rok h GLY 507 Ca 0.24 -0.52 -0.13 0.00 0.00 0.00 0.00 47.33 46.92 2rok h GLY 507 CO -0.09 0.49 -0.56 0.50 0.00 0.00 0.00 176.54 176.87 2rok h LYS 508 N 0.91 0.18 -0.65 4.80 6.56 -1.12 -3.28 116.57 123.96 2rok h LYS 508 Ca 0.21 -0.11 -0.08 0.00 -1.06 0.00 0.00 60.65 59.61 2rok h LYS 508 Cb 0.19 0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 31.84 2rok h LYS 508 CO -0.02 0.69 0.08 -0.22 -2.06 0.00 0.00 179.45 177.93 2rok h LYS 509 N 0.14 1.09 -6.09 3.15 1.63 -0.27 -3.43 116.57 112.79 2rok h LYS 509 Ca -0.00 -0.31 -0.58 0.00 -0.85 0.00 0.00 60.65 58.91 2rok h LYS 509 Cb 1.04 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.54 2rok h LYS 509 CO 0.08 1.02 1.41 -0.65 -3.45 0.00 0.00 179.45 177.86 2rok s GLN 510 N -5.16 3.25 0.00 1.90 -1.52 -0.50 -4.81 119.66 112.83 2rok s GLN 510 Ca -0.12 1.89 0.00 0.00 -1.95 0.00 0.00 55.36 55.18 2rok s GLN 510 Cb 0.14 -4.31 0.00 0.00 -0.22 0.00 0.00 33.01 28.62 2rok s GLN 510 CO 0.85 -1.96 0.76 1.17 -0.25 0.00 0.00 175.29 175.86 2rok n LYS 511 N 8.58 0.00 -1.81 2.91 4.81 -1.26 -4.96 118.16 126.44 2rok n LYS 511 Ca 0.27 -0.57 -0.02 0.00 -0.87 0.00 0.00 58.31 57.12 2rok n LYS 511 Cb 0.45 -0.30 0.04 0.00 0.02 0.00 0.00 35.03 35.25 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 0.00 0.76 0.31 3.14 0.00 -1.26 -5.02 105.19 103.12 2rok n GLY 512 Ca 0.00 -0.08 0.19 0.00 0.00 0.00 0.00 46.02 46.13 2rok n GLY 512 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2rok h LYS 513 N 0.45 0.00 -1.03 1.61 3.64 -1.99 -3.34 116.57 115.90 2rok h LYS 513 Ca -0.33 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 2rok h LYS 513 Cb 1.17 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 2rok h LYS 513 CO -0.15 0.02 0.00 1.04 -2.27 0.00 0.00 179.45 178.09 2rok n GLN 514 N -3.31 0.68 0.14 1.90 6.02 -1.26 -4.42 117.38 117.13 2rok n GLN 514 Ca -0.02 0.00 0.10 0.00 -0.01 0.00 0.00 57.00 57.07 2rok n GLN 514 Cb 0.13 -1.24 0.51 0.00 1.02 0.00 0.00 30.24 30.66 2rok n GLN 514 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 2rok n VAL 515 N 0.43 1.03 -0.67 5.09 0.24 -1.26 -4.19 118.33 119.01 2rok n VAL 515 Ca 0.00 0.54 -0.07 0.00 -2.04 0.00 0.00 64.34 62.78 2rok n VAL 515 Cb 0.26 -1.51 -0.09 0.00 -1.47 0.00 0.00 33.84 31.03 2rok n VAL 515 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2rok n LYS 516 N -2.18 1.34 -4.16 7.34 5.02 -1.26 -4.54 118.16 119.72 2rok n LYS 516 Ca -0.00 -0.55 -0.13 0.00 -2.02 0.00 0.00 58.31 55.61 2rok n LYS 516 Cb 0.10 -1.65 -0.08 0.00 -0.02 0.00 0.00 35.03 33.38 2rok n LYS 516 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2rok s SER 517 N 2.14 0.48 0.97 4.39 1.04 -1.26 -4.61 113.70 116.85 2rok s SER 517 Ca 0.37 -1.38 0.00 0.00 0.48 0.00 0.00 55.95 55.42 2rok s SER 517 Cb 0.17 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.78 2rok s SER 517 CO 0.00 -1.00 0.00 0.61 0.98 0.00 0.00 173.24 173.83 2rok n GLY 518 N -0.39 1.30 0.00 7.32 0.00 -1.26 -2.71 105.19 109.44 2rok n GLY 518 Ca 0.02 -0.58 0.06 0.00 0.00 0.00 0.00 46.02 45.53 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 2.12 0.57 -0.02 1.61 -0.04 -1.26 -3.32 135.00 134.65 2rok n PRO 519 Ca 0.00 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.49 2rok n PRO 519 Cb 0.00 -1.34 0.04 0.00 -0.04 0.00 0.00 33.50 32.15 2rok n PRO 519 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2rok n SER 520 N -0.84 2.06 0.29 3.54 7.64 -1.10 -4.74 113.62 120.46 2rok n SER 520 Ca 0.09 -2.27 0.19 0.00 1.01 0.00 0.00 58.87 57.90 2rok n SER 520 Cb 0.04 -0.11 0.87 0.00 -1.01 0.00 0.00 64.21 64.01 2rok n SER 520 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2rok h SER 521 N 0.00 0.00 0.00 6.43 4.64 -1.51 -3.41 113.55 119.70 2rok h SER 521 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2rok h SER 521 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 2rok h SER 521 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57