#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 0.23 0.00 1.61 0.01 -1.26 -4.88 113.70 109.41 2rok s SER 424 Ca 0.00 -0.68 0.00 0.00 1.31 0.00 0.00 55.95 56.58 2rok s SER 424 Cb 0.00 0.26 0.00 0.00 0.21 0.00 0.00 66.02 66.49 2rok s SER 424 CO 0.00 -0.60 0.38 -1.20 0.41 0.00 0.00 173.24 172.23 2rok n SER 425 N 0.33 0.19 0.00 2.44 7.64 -1.26 -5.13 113.62 117.83 2rok n SER 425 Ca -0.16 -1.08 0.00 0.00 1.01 0.00 0.00 58.87 58.64 2rok n SER 425 Cb 0.60 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 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 -0.04 -1.27 0.00 0.23 0.00 -1.26 -5.07 105.19 97.79 2rok n GLY 426 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.03 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 0.31 0.21 -3.64 1.61 3.41 -1.26 -5.11 113.62 109.15 2rok n SER 427 Ca 0.00 -1.07 -0.10 0.00 -0.26 0.00 0.00 58.87 57.44 2rok n SER 427 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 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 -0.07 0.14 0.11 4.04 0.15 -1.26 -5.20 113.70 111.61 2rok s SER 428 Ca 0.00 -1.06 -0.25 0.00 0.70 0.00 0.00 55.95 55.34 2rok s SER 428 Cb 0.00 0.66 0.08 0.00 -1.71 0.00 0.00 66.02 65.06 2rok s SER 428 CO 0.00 -1.29 1.10 -0.83 1.20 0.00 0.00 173.24 173.43 2rok s GLY 429 N -3.07 -0.12 0.00 9.45 0.00 -1.26 -5.15 107.32 107.17 2rok s GLY 429 Ca 0.22 0.05 0.00 0.00 0.00 0.00 0.00 44.72 44.99 2rok s GLY 429 CO 0.12 1.76 0.00 0.61 0.00 0.00 0.00 173.10 175.59 2rok n GLY 430 N -0.63 -1.55 0.09 0.20 0.00 -1.26 -5.02 105.19 97.03 2rok n GLY 430 Ca -0.04 -1.05 0.09 0.00 0.00 0.00 0.00 46.02 45.02 2rok n GLY 430 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2rok n PRO 431 N -0.20 0.11 0.00 1.61 -0.04 -1.26 -1.99 135.00 133.23 2rok n PRO 431 Ca 0.00 0.44 0.08 0.00 -0.04 0.00 0.00 63.50 63.98 2rok n PRO 431 Cb 0.00 -1.75 0.41 0.00 -0.04 0.00 0.00 33.50 32.12 2rok n PRO 431 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2rok n ASP 432 N -1.97 0.00 -3.93 3.54 2.03 -1.26 -4.63 116.55 110.34 2rok n ASP 432 Ca 0.01 -0.01 -0.24 0.00 0.52 0.00 0.00 54.79 55.07 2rok n ASP 432 Cb 0.14 -0.25 -0.17 0.00 -0.72 0.00 0.00 41.12 40.12 2rok n ASP 432 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2rok s LEU 433 N -2.50 1.29 -0.44 -2.67 1.43 -0.84 -5.10 118.68 109.85 2rok s LEU 433 Ca 0.16 -0.24 0.06 0.00 -1.03 0.00 0.00 54.13 53.08 2rok s LEU 433 Cb 0.11 -0.71 0.21 0.00 0.03 0.00 0.00 46.19 45.83 2rok s LEU 433 CO 0.23 -0.07 0.46 0.00 0.23 0.00 0.00 176.35 177.21 2rok n GLN 434 N 4.42 0.69 -1.29 1.70 6.02 -1.26 -4.76 117.38 122.90 2rok n GLN 434 Ca -0.18 -3.38 -0.29 0.00 -0.01 0.00 0.00 57.00 53.14 2rok n GLN 434 Cb 0.51 -1.54 0.16 0.00 1.02 0.00 0.00 30.24 30.39 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 -0.78 0.75 0.28 -1.09 0.04 -1.26 -5.11 135.00 127.82 2rok s PRO 435 Ca 0.34 0.47 0.02 0.00 0.04 0.00 0.00 61.00 61.87 2rok s PRO 435 Cb 0.10 -1.78 -0.05 0.00 0.04 0.00 0.00 34.50 32.82 2rok s PRO 435 CO -0.14 -2.51 0.12 0.15 0.04 0.00 0.00 177.00 174.66 2rok s LYS 436 N -5.06 1.50 0.00 4.56 3.01 -1.26 -5.09 119.74 117.40 2rok s LYS 436 Ca 0.65 -1.83 0.00 0.00 -1.01 0.00 0.00 55.97 53.77 2rok s LYS 436 Cb -0.17 -0.22 0.00 0.00 -1.01 0.00 0.00 37.83 36.43 2rok s LYS 436 CO 0.56 -0.36 0.20 0.54 0.51 0.00 0.00 175.35 176.80 2rok n ARG 437 N -0.52 2.30 0.29 1.68 5.12 -1.26 -4.82 116.66 119.44 2rok n ARG 437 Ca 0.00 -0.20 0.17 0.00 -1.93 0.00 0.00 57.85 55.89 2rok n ARG 437 Cb 0.66 -0.65 0.83 0.00 -1.16 0.00 0.00 32.46 32.14 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 -0.52 0.55 3.58 -2.01 -2.22 116.42 115.80 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 0.06 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.11 2rok h ASP 438 CO 0.00 0.05 0.00 0.00 -2.88 0.00 0.00 179.24 176.41 2rok n HIS 439 N -3.30 1.00 -5.04 0.28 1.44 -1.26 -4.65 115.22 103.69 2rok n HIS 439 Ca -0.01 -0.43 -0.32 0.00 -2.01 0.00 0.00 57.72 54.95 2rok n HIS 439 Cb 0.23 -0.12 -0.15 0.00 0.12 0.00 0.00 29.99 30.06 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 -1.57 2.57 0.33 0.61 1.01 -0.84 -1.33 120.40 121.18 2rok s VAL 440 Ca 0.39 -0.87 0.07 0.00 0.00 0.00 0.00 61.98 61.57 2rok s VAL 440 Cb 0.23 -2.00 -0.02 0.00 0.00 0.00 0.00 36.38 34.59 2rok s VAL 440 CO 0.21 0.56 0.40 -0.76 0.00 0.00 0.00 175.10 175.52 2rok s LEU 441 N -0.08 3.85 -0.03 3.92 1.43 0.07 -1.23 118.68 126.61 2rok s LEU 441 Ca -0.04 -0.29 0.06 0.00 -1.03 0.00 0.00 54.13 52.83 2rok s LEU 441 Cb -0.14 -2.57 -0.01 0.00 0.03 0.00 0.00 46.19 43.50 2rok s LEU 441 CO 0.04 -0.39 -0.20 -2.28 0.23 0.00 0.00 176.35 173.75 2rok s HIS 442 N -2.21 1.90 -0.01 0.29 5.65 0.44 -1.02 115.29 120.33 2rok s HIS 442 Ca 0.43 -0.44 0.02 0.00 0.25 0.00 0.00 55.06 55.32 2rok s HIS 442 Cb -0.08 -1.24 -0.00 0.00 -1.18 0.00 0.00 32.58 30.08 2rok s HIS 442 CO 0.29 -0.09 -0.06 0.08 -0.65 0.00 0.00 174.74 174.31 2rok s VAL 443 N -0.30 0.46 -0.04 0.89 1.01 -0.04 -1.32 120.40 121.07 2rok s VAL 443 Ca 0.03 -0.23 0.04 0.00 0.00 0.00 0.00 61.98 61.83 2rok s VAL 443 Cb -0.10 -0.41 -0.00 0.00 0.00 0.00 0.00 36.38 35.87 2rok s VAL 443 CO 0.01 0.14 -0.16 -0.89 0.00 0.00 0.00 175.10 174.20 2rok s THR 444 N 0.02 1.32 0.14 3.92 2.01 -0.40 -1.61 115.64 121.03 2rok s THR 444 Ca 0.00 -0.66 -0.24 0.00 0.31 0.00 0.00 61.69 61.10 2rok s THR 444 Cb -0.04 -1.13 0.07 0.00 0.01 0.00 0.00 72.50 71.40 2rok s THR 444 CO -0.00 0.38 0.61 0.72 -0.69 0.00 0.00 174.62 175.64 2rok s PHE 445 N -0.00 -0.55 0.54 4.92 -0.12 -0.44 -1.25 117.98 121.08 2rok s PHE 445 Ca -0.02 0.41 -0.22 0.00 -0.05 0.00 0.00 56.93 57.05 2rok s PHE 445 Cb -0.10 0.54 -0.06 0.00 -0.63 0.00 0.00 43.02 42.77 2rok s PHE 445 CO 0.02 -0.82 1.25 -2.30 -0.05 0.00 0.00 175.22 173.31 2rok n PRO 446 N -0.24 1.52 0.31 1.99 -0.02 -1.26 -4.55 135.00 132.76 2rok n PRO 446 Ca -0.17 0.56 0.19 0.00 -2.02 0.00 0.00 63.50 62.06 2rok n PRO 446 Cb 0.64 -2.44 1.03 0.00 -0.02 0.00 0.00 33.50 32.71 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 1.30 0.00 0.00 -0.52 2.10 -1.92 -1.56 116.57 115.96 2rok h LYS 447 Ca -0.50 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.15 2rok h LYS 447 Cb 1.32 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.65 2rok h LYS 447 CO 0.56 0.00 -0.03 1.49 -2.00 0.00 0.00 179.45 179.47 2rok h GLU 448 N 0.00 0.00 -7.08 0.07 4.81 -1.91 -3.44 114.58 107.03 2rok h GLU 448 Ca 0.01 0.00 -0.54 0.00 -0.13 0.00 0.00 59.36 58.70 2rok h GLU 448 Cb 0.27 0.00 0.13 0.00 0.63 0.00 0.00 28.75 29.78 2rok h GLU 448 CO -0.00 0.03 0.52 -1.58 -0.73 0.00 0.00 179.01 177.25 2rok s TRP 449 N -4.22 2.30 0.22 0.92 0.52 -0.59 -5.06 118.94 113.03 2rok s TRP 449 Ca -0.04 1.47 0.03 0.00 0.02 0.00 0.00 56.10 57.58 2rok s TRP 449 Cb 0.13 -3.62 -0.05 0.00 -1.15 0.00 0.00 33.47 28.78 2rok s TRP 449 CO 0.50 -2.55 0.02 0.15 0.02 0.00 0.00 176.95 175.09 2rok s LYS 450 N -3.20 1.29 0.45 4.98 1.02 -1.26 -5.01 119.74 118.01 2rok s LYS 450 Ca 0.77 -1.66 0.20 0.00 0.02 0.00 0.00 55.97 55.30 2rok s LYS 450 Cb -0.35 -0.46 1.15 0.00 -0.52 0.00 0.00 37.83 37.66 2rok s LYS 450 CO 0.39 -0.15 1.89 1.15 -0.92 0.00 0.00 175.35 177.71 2rok h THR 451 N 2.51 0.70 -0.24 2.17 2.02 -1.98 -1.03 112.91 117.05 2rok h THR 451 Ca -0.38 -0.11 -0.04 0.00 0.77 0.00 0.00 66.41 66.65 2rok h THR 451 Cb 1.22 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.97 2rok h THR 451 CO 0.63 0.06 -0.02 0.28 0.37 0.00 0.00 175.52 176.84 2rok h SER 452 N 0.32 0.44 -0.25 4.18 0.02 -1.98 -0.41 113.55 115.86 2rok h SER 452 Ca 0.42 -0.33 -0.04 0.00 -0.84 0.00 0.00 61.79 61.00 2rok h SER 452 Cb 1.14 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.54 2rok h SER 452 CO -0.12 0.66 0.03 0.44 -1.14 0.00 0.00 176.83 176.70 2rok h ASP 453 N 0.20 0.50 -0.33 3.07 3.32 -1.70 -0.58 116.42 120.90 2rok h ASP 453 Ca 0.07 -0.08 -0.07 0.00 0.02 0.00 0.00 57.03 56.96 2rok h ASP 453 Cb 0.45 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 2rok h ASP 453 CO 0.02 0.54 -0.08 -0.07 -1.72 0.00 0.00 179.24 177.93 2rok h LEU 454 N 0.52 0.64 -0.81 1.55 3.38 -1.16 -1.20 115.31 118.22 2rok h LEU 454 Ca 0.12 -0.36 0.04 0.00 0.09 0.00 0.00 57.88 57.76 2rok h LEU 454 Cb 0.29 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.81 2rok h LEU 454 CO 0.01 0.86 0.52 1.88 0.09 0.00 0.00 178.44 181.79 2rok h TYR 455 N 0.42 0.97 -0.04 1.13 -1.99 -0.68 -2.00 116.97 114.79 2rok h TYR 455 Ca 0.08 0.03 -0.05 0.00 2.00 0.00 0.00 58.73 60.79 2rok h TYR 455 Cb 0.58 -0.32 -0.01 0.00 2.00 0.00 0.00 36.73 38.98 2rok h TYR 455 CO 0.05 0.55 -0.23 1.96 -0.00 0.00 0.00 178.16 180.49 2rok h GLN 456 N 1.00 0.06 0.00 4.88 7.50 -0.94 0.46 115.11 128.08 2rok h GLN 456 Ca 0.33 -0.02 -0.15 0.00 0.50 0.00 0.00 58.65 59.31 2rok h GLN 456 Cb 0.03 -0.01 -0.02 0.00 0.05 0.00 0.00 27.48 27.53 2rok h GLN 456 CO -0.12 0.29 -0.72 1.25 -1.50 0.00 0.00 178.83 178.03 2rok h LEU 457 N 0.06 0.00 -0.51 1.46 5.85 -0.65 -3.39 115.31 118.12 2rok h LEU 457 Ca 0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2rok h LEU 457 Cb 0.44 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.47 2rok h LEU 457 CO 0.03 0.72 0.00 0.49 -0.34 0.00 0.00 178.44 179.34 2rok n PHE 458 N -3.67 0.00 0.28 1.25 3.72 -0.80 -4.67 117.46 113.57 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 0.70 0.00 0.96 0.00 -0.94 0.00 0.00 39.48 40.20 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 -1.11 -1.55 113.55 119.90 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 0.07 0.00 -0.87 0.00 0.00 176.83 176.03 2rok n ALA 460 N -2.20 0.94 0.29 5.18 0.00 -1.26 -1.92 120.51 121.54 2rok n ALA 460 Ca -0.01 0.18 0.06 0.00 0.00 0.00 0.00 53.44 53.67 2rok n ALA 460 Cb 0.21 -1.18 0.09 0.00 0.00 0.00 0.00 19.45 18.56 2rok n ALA 460 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2rok n PHE 461 N -2.18 0.16 0.00 0.00 3.72 -0.58 -5.12 117.46 113.45 2rok n PHE 461 Ca -0.01 -0.15 0.00 0.00 -0.05 0.00 0.00 57.45 57.23 2rok n PHE 461 Cb 0.10 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.63 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 0.66 -1.44 3.73 1.37 0.00 -0.81 -4.63 105.19 104.08 2rok n GLY 462 Ca 0.09 -2.01 -0.35 0.00 0.00 0.00 0.00 46.02 43.75 2rok n GLY 462 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rok s ASN 463 N -4.00 4.54 0.28 1.61 4.22 -1.26 -4.39 114.94 115.94 2rok s ASN 463 Ca 0.00 2.36 -0.01 0.00 -2.14 0.00 0.00 52.86 53.07 2rok s ASN 463 Cb 0.00 -2.59 -0.02 0.00 1.28 0.00 0.00 41.25 39.92 2rok s ASN 463 CO 0.00 -2.03 0.31 0.27 -2.04 0.00 0.00 177.10 173.61 2rok s ILE 464 N -1.87 0.00 0.04 0.54 -4.36 -1.26 -3.68 121.20 110.61 2rok s ILE 464 Ca 0.75 -1.80 0.01 0.00 -0.26 0.00 0.00 60.65 59.35 2rok s ILE 464 Cb -0.29 -2.49 -0.03 0.00 1.25 0.00 0.00 42.46 40.90 2rok s ILE 464 CO 0.42 0.00 -0.06 -1.10 0.24 0.00 0.00 174.94 174.43 2rok s GLN 465 N -3.66 0.51 -0.03 0.37 -1.52 -0.62 -5.01 119.66 109.70 2rok s GLN 465 Ca 0.35 -0.80 0.01 0.00 -1.95 0.00 0.00 55.36 52.96 2rok s GLN 465 Cb 0.03 -0.15 0.02 0.00 -0.22 0.00 0.00 33.01 32.69 2rok s GLN 465 CO 0.18 0.01 -0.03 0.42 -0.25 0.00 0.00 175.29 175.62 2rok s ILE 466 N -1.77 0.35 -0.25 1.08 1.01 -1.26 -0.58 121.20 119.78 2rok s ILE 466 Ca -0.08 -0.04 -0.03 0.00 0.00 0.00 0.00 60.65 60.49 2rok s ILE 466 Cb -0.07 -0.40 0.09 0.00 0.01 0.00 0.00 42.46 42.08 2rok s ILE 466 CO -0.01 0.17 0.10 -0.44 0.00 0.00 0.00 174.94 174.76 2rok s SER 467 N 0.81 3.28 0.70 3.58 0.01 -0.63 -3.90 113.70 117.56 2rok s SER 467 Ca -0.09 -1.14 -0.11 0.00 1.31 0.00 0.00 55.95 55.92 2rok s SER 467 Cb -0.13 -0.47 0.01 0.00 0.21 0.00 0.00 66.02 65.65 2rok s SER 467 CO -0.01 -0.39 1.06 0.26 0.41 0.00 0.00 173.24 174.57 2rok s TRP 468 N 1.97 3.12 0.00 2.43 0.52 -1.26 -0.69 118.94 125.03 2rok s TRP 468 Ca 0.06 1.39 0.00 0.00 0.02 0.00 0.00 56.10 57.57 2rok s TRP 468 Cb -0.16 -2.89 0.00 0.00 -1.15 0.00 0.00 33.47 29.26 2rok s TRP 468 CO -0.24 -1.25 0.00 0.44 0.02 0.00 0.00 176.95 175.92 2rok n ILE 469 N -3.13 0.00 -4.00 2.03 -5.35 -1.05 -4.84 119.36 103.01 2rok n ILE 469 Ca 0.07 -0.01 -0.13 0.00 -0.27 0.00 0.00 62.75 62.41 2rok n ILE 469 Cb 0.54 0.21 -0.02 0.00 -1.74 0.00 0.00 39.64 38.62 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 -0.43 0.69 0.05 7.28 -1.08 -0.73 -4.98 116.67 117.47 2rok s ASP 470 Ca 0.00 -1.41 0.15 0.00 -0.52 0.00 0.00 52.55 50.77 2rok s ASP 470 Cb 0.00 0.73 0.64 0.00 -1.46 0.00 0.00 42.92 42.83 2rok s ASP 470 CO 0.00 -1.43 1.48 -0.67 0.52 0.00 0.00 175.17 175.06 2rok n ASP 471 N -1.47 0.11 0.00 -0.34 2.03 -1.26 -3.75 116.55 111.87 2rok n ASP 471 Ca -0.02 0.53 0.00 0.00 0.52 0.00 0.00 54.79 55.82 2rok n ASP 471 Cb 0.61 -0.55 0.00 0.00 -0.72 0.00 0.00 41.12 40.46 2rok n ASP 471 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2rok n THR 472 N -1.63 0.08 -3.61 5.18 -2.24 -1.26 -4.23 114.28 106.58 2rok n THR 472 Ca 0.03 -0.15 -0.13 0.00 -2.27 0.00 0.00 64.05 61.53 2rok n THR 472 Cb 0.17 1.48 -0.05 0.00 -2.10 0.00 0.00 70.33 69.82 2rok n THR 472 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2rok s SER 473 N -0.08 -0.37 0.13 3.42 1.04 -1.25 -1.33 113.70 115.27 2rok s SER 473 Ca 0.00 0.07 -0.17 0.00 0.48 0.00 0.00 55.95 56.33 2rok s SER 473 Cb 0.00 0.47 0.04 0.00 0.10 0.00 0.00 66.02 66.63 2rok s SER 473 CO 0.00 -0.72 0.42 0.00 0.98 0.00 0.00 173.24 173.92 2rok s ALA 474 N -2.62 -0.97 0.19 5.32 0.00 -0.64 -1.77 121.76 121.28 2rok s ALA 474 Ca -0.04 -0.03 -0.10 0.00 0.00 0.00 0.00 51.96 51.79 2rok s ALA 474 Cb -0.00 0.72 -0.07 0.00 0.00 0.00 0.00 23.12 23.77 2rok s ALA 474 CO -0.03 -0.66 0.51 -0.06 0.00 0.00 0.00 175.76 175.52 2rok s PHE 475 N -3.81 3.47 -0.16 0.00 0.08 0.13 -0.86 117.98 116.83 2rok s PHE 475 Ca 0.03 0.84 -0.03 0.00 0.12 0.00 0.00 56.93 57.90 2rok s PHE 475 Cb 0.01 -2.23 0.05 0.00 -0.57 0.00 0.00 43.02 40.29 2rok s PHE 475 CO -0.11 0.34 0.05 0.08 -0.10 0.00 0.00 175.22 175.47 2rok s VAL 476 N -1.71 0.31 -0.33 -0.44 1.01 -0.19 -1.60 120.40 117.46 2rok s VAL 476 Ca 0.44 -0.32 -0.29 0.00 0.00 0.00 0.00 61.98 61.81 2rok s VAL 476 Cb -0.12 -0.80 0.01 0.00 0.00 0.00 0.00 36.38 35.47 2rok s VAL 476 CO 0.21 -0.15 1.13 -0.44 0.00 0.00 0.00 175.10 175.85 2rok s SER 477 N 1.96 6.85 0.64 3.32 0.01 0.25 -0.75 113.70 125.98 2rok s SER 477 Ca 0.01 1.04 -0.09 0.00 1.31 0.00 0.00 55.95 58.22 2rok s SER 477 Cb -0.16 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.53 2rok s SER 477 CO -0.08 -0.96 1.00 -0.76 0.41 0.00 0.00 173.24 172.85 2rok s LEU 478 N 3.88 3.12 0.55 2.44 1.43 -0.44 -1.59 118.68 128.06 2rok s LEU 478 Ca 0.48 1.01 0.33 0.00 -1.03 0.00 0.00 54.13 54.92 2rok s LEU 478 Cb -0.13 -3.87 1.51 0.00 0.03 0.00 0.00 46.19 43.74 2rok s LEU 478 CO 0.18 -1.12 2.05 0.77 0.23 0.00 0.00 176.35 178.47 2rok h SER 479 N -0.37 0.00 -4.41 2.29 4.64 -1.82 -3.45 113.55 110.42 2rok h SER 479 Ca -0.45 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.73 2rok h SER 479 Cb 1.24 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 63.10 2rok h SER 479 CO 0.62 0.06 -0.37 -1.10 -0.87 0.00 0.00 176.83 175.17 2rok s GLN 480 N -3.86 0.46 0.43 4.77 -0.21 -1.26 -5.05 119.66 114.95 2rok s GLN 480 Ca -0.01 0.06 0.29 0.00 0.02 0.00 0.00 55.36 55.72 2rok s GLN 480 Cb 0.11 0.21 1.13 0.00 1.00 0.00 0.00 33.01 35.46 2rok s GLN 480 CO 0.54 -0.10 1.86 -1.00 -2.12 0.00 0.00 175.29 174.47 2rok h PRO 481 N 4.85 0.00 0.00 2.91 0.13 -1.86 -2.95 132.00 135.08 2rok h PRO 481 Ca -0.28 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.83 2rok h PRO 481 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 2rok h PRO 481 CO 0.37 0.00 -0.08 0.93 -0.23 0.00 0.00 178.00 178.98 2rok h GLU 482 N 0.00 0.00 0.00 0.86 4.39 -1.97 -3.00 114.58 114.87 2rok h GLU 482 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2rok h GLU 482 Cb 0.52 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 2rok h GLU 482 CO 0.00 0.08 -1.14 1.04 -1.16 0.00 0.00 179.01 177.83 2rok n GLN 483 N -3.99 0.47 -0.18 2.33 6.02 -1.12 -4.04 117.38 116.87 2rok n GLN 483 Ca -0.02 0.02 -0.04 0.00 -0.01 0.00 0.00 57.00 56.95 2rok n GLN 483 Cb 0.17 -1.68 0.06 0.00 1.02 0.00 0.00 30.24 29.81 2rok n GLN 483 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2rok h VAL 484 N 0.00 0.98 -0.41 5.09 2.07 -1.61 -2.35 116.25 120.01 2rok h VAL 484 Ca 0.00 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 2rok h VAL 484 Cb 0.88 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 2rok h VAL 484 CO 0.00 0.10 0.17 -0.61 0.02 0.00 0.00 177.57 177.26 2rok h GLN 485 N 0.56 0.58 -0.19 1.57 5.75 -1.70 -1.79 115.11 119.89 2rok h GLN 485 Ca 0.24 -0.07 -0.05 0.00 -0.15 0.00 0.00 58.65 58.61 2rok h GLN 485 Cb 0.12 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 28.56 2rok h GLN 485 CO -0.15 0.47 -0.09 0.82 -2.65 0.00 0.00 178.83 177.24 2rok h ILE 486 N 0.58 1.31 -0.78 2.39 2.04 -1.61 -0.93 117.51 120.50 2rok h ILE 486 Ca 0.14 -1.13 -0.04 0.00 1.00 0.00 0.00 64.86 64.84 2rok h ILE 486 Cb 0.10 1.65 -0.04 0.00 -0.74 0.00 0.00 36.82 37.80 2rok h ILE 486 CO -0.02 0.34 0.35 0.00 0.00 0.00 0.00 178.15 178.82 2rok h ALA 487 N 0.70 1.01 -0.12 1.87 0.00 -1.25 -0.63 119.26 120.84 2rok h ALA 487 Ca 0.04 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 2rok h ALA 487 Cb 0.56 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2rok h ALA 487 CO 0.03 0.60 -0.35 0.28 0.00 0.00 0.00 179.25 179.80 2rok h VAL 488 N 1.11 1.28 -0.09 0.00 2.07 -1.29 -1.59 116.25 117.74 2rok h VAL 488 Ca 0.27 -1.37 -0.03 0.00 0.82 0.00 0.00 66.70 66.39 2rok h VAL 488 Cb 0.16 1.59 -0.00 0.00 -1.52 0.00 0.00 31.29 31.51 2rok h VAL 488 CO -0.03 0.41 -0.06 -1.13 0.02 0.00 0.00 177.57 176.78 2rok h ASN 489 N 0.20 0.21 1.39 0.57 -0.73 -0.88 -3.36 115.58 113.00 2rok h ASN 489 Ca 0.02 -0.44 -0.05 0.00 1.87 0.00 0.00 56.30 57.70 2rok h ASN 489 Cb 0.72 -0.06 -0.01 0.00 0.27 0.00 0.00 38.32 39.25 2rok h ASN 489 CO 0.05 0.61 -0.23 0.71 -0.37 0.00 0.00 177.43 178.21 2rok h THR 490 N -0.18 0.45 0.00 -3.57 1.35 -1.01 -3.19 112.91 106.76 2rok h THR 490 Ca 0.02 -1.37 0.00 0.00 -0.55 0.00 0.00 66.41 64.51 2rok h THR 490 Cb 0.54 2.01 0.00 0.00 -1.73 0.00 0.00 68.15 68.97 2rok h THR 490 CO 0.02 0.22 0.00 0.77 -0.25 0.00 0.00 175.52 176.28 2rok h SER 491 N 0.00 0.00 0.00 5.36 4.64 -1.43 -1.97 113.55 120.15 2rok h SER 491 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2rok h SER 491 Cb 0.99 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 2rok h SER 491 CO 0.03 0.00 0.22 0.50 -0.87 0.00 0.00 176.83 176.71 2rok h LYS 492 N 0.00 0.00 0.00 4.77 1.63 -1.76 -2.67 116.57 118.54 2rok h LYS 492 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2rok h LYS 492 Cb 0.05 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.68 2rok h LYS 492 CO 0.00 0.00 -0.07 0.66 -3.45 0.00 0.00 179.45 176.59 2rok n TYR 493 N -2.93 0.00 -0.64 1.91 4.01 -0.74 -5.08 117.16 113.69 2rok n TYR 493 Ca -0.02 -0.80 -0.30 0.00 -0.16 0.00 0.00 57.90 56.62 2rok n TYR 493 Cb 0.27 -0.12 0.19 0.00 -0.31 0.00 0.00 39.34 39.37 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 -2.25 0.84 0.00 -0.72 0.00 -1.01 -5.03 121.76 113.59 2rok s ALA 494 Ca 0.24 0.37 0.00 0.00 0.00 0.00 0.00 51.96 52.57 2rok s ALA 494 Cb 0.21 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.94 2rok s ALA 494 CO 0.02 -3.12 0.00 0.39 0.00 0.00 0.00 175.76 173.05 2rok n GLU 495 N -4.46 3.24 -0.05 0.00 1.02 -1.26 -4.86 120.64 114.28 2rok n GLU 495 Ca 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 2rok n GLU 495 Cb 0.53 -0.52 0.00 0.00 -0.02 0.00 0.00 31.44 31.43 2rok n GLU 495 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2rok n SER 496 N -0.65 0.00 -3.33 1.62 2.88 -1.26 -1.13 113.62 111.75 2rok n SER 496 Ca 0.00 -1.02 -0.09 0.00 -1.33 0.00 0.00 58.87 56.43 2rok n SER 496 Cb 0.00 -0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.45 2rok n SER 496 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 2rok s TYR 497 N 0.00 0.14 0.02 0.66 1.13 -1.26 -4.28 117.35 113.76 2rok s TYR 497 Ca 0.00 -0.69 -0.08 0.00 -1.41 0.00 0.00 57.07 54.89 2rok s TYR 497 Cb 0.00 0.65 0.00 0.00 -1.10 0.00 0.00 41.96 41.51 2rok s TYR 497 CO 0.00 -1.38 0.16 0.50 -2.51 0.00 0.00 175.55 172.32 2rok s ARG 498 N -3.01 0.59 0.01 -3.49 3.52 -0.38 -4.80 118.95 111.39 2rok s ARG 498 Ca 0.16 -0.52 0.02 0.00 -0.13 0.00 0.00 55.73 55.26 2rok s ARG 498 Cb -0.05 0.24 -0.01 0.00 -1.56 0.00 0.00 34.95 33.58 2rok s ARG 498 CO 0.11 -0.15 -0.06 0.42 -0.81 0.00 0.00 175.30 174.81 2rok s ILE 499 N -1.99 0.43 0.22 4.11 1.01 -1.26 -1.27 121.20 122.44 2rok s ILE 499 Ca -0.10 -0.45 -0.08 0.00 0.00 0.00 0.00 60.65 60.03 2rok s ILE 499 Cb -0.04 -0.40 -0.02 0.00 0.01 0.00 0.00 42.46 42.01 2rok s ILE 499 CO -0.01 -0.02 0.32 0.00 0.00 0.00 0.00 174.94 175.23 2rok s GLN 500 N -0.51 1.35 0.85 2.79 -2.07 -0.44 -4.86 119.66 116.78 2rok s GLN 500 Ca -0.01 -1.37 -0.11 0.00 -1.82 0.00 0.00 55.36 52.04 2rok s GLN 500 Cb -0.04 0.38 0.10 0.00 -1.09 0.00 0.00 33.01 32.36 2rok s GLN 500 CO -0.00 -0.51 1.09 0.95 -1.32 0.00 0.00 175.29 175.50 2rok s THR 501 N -4.06 2.86 0.24 3.63 -4.23 -1.26 -0.42 115.64 112.40 2rok s THR 501 Ca 0.27 0.28 -0.05 0.00 -1.18 0.00 0.00 61.69 61.01 2rok s THR 501 Cb 0.03 -2.87 0.21 0.00 1.34 0.00 0.00 72.50 71.21 2rok s THR 501 CO 0.08 -0.36 1.83 0.22 -0.54 0.00 0.00 174.62 175.85 2rok h TYR 502 N -1.34 0.90 -0.50 3.99 5.03 -1.41 -1.33 116.97 122.30 2rok h TYR 502 Ca -0.48 0.03 -0.10 0.00 2.58 0.00 0.00 58.73 60.76 2rok h TYR 502 Cb 1.27 -0.28 -0.02 0.00 1.55 0.00 0.00 36.73 39.25 2rok h TYR 502 CO 0.45 0.42 -0.08 0.00 -1.32 0.00 0.00 178.16 177.63 2rok h ALA 503 N 1.42 0.92 -0.63 1.82 0.00 -1.87 -1.55 119.26 119.36 2rok h ALA 503 Ca 0.38 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 2rok h ALA 503 Cb 0.25 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2rok h ALA 503 CO -0.20 0.63 0.17 0.93 0.00 0.00 0.00 179.25 180.78 2rok h GLU 504 N 0.82 1.00 -0.11 0.00 5.08 -1.87 -1.00 114.58 118.50 2rok h GLU 504 Ca 0.14 -0.23 0.01 0.00 -1.00 0.00 0.00 59.36 58.28 2rok h GLU 504 Cb 0.59 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 2rok h GLU 504 CO 0.04 0.90 0.01 -0.92 -1.00 0.00 0.00 179.01 178.03 2rok h TYR 505 N 0.92 0.02 -0.65 4.33 3.20 -1.05 -2.09 116.97 121.65 2rok h TYR 505 Ca 0.20 0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.14 2rok h TYR 505 Cb 0.33 0.01 -0.06 0.00 1.54 0.00 0.00 36.73 38.56 2rok h TYR 505 CO 0.02 0.00 0.35 0.28 -1.64 0.00 0.00 178.16 177.18 2rok h VAL 506 N 0.05 0.95 0.00 1.81 2.07 -1.16 -1.33 116.25 118.64 2rok h VAL 506 Ca 0.05 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.35 2rok h VAL 506 Cb 0.05 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.06 2rok h VAL 506 CO -0.07 0.12 0.00 0.61 0.02 0.00 0.00 177.57 178.24 2rok n GLY 507 N -1.28 -1.22 0.01 2.17 0.00 -0.39 -3.44 105.19 101.02 2rok n GLY 507 Ca 0.08 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2rok n GLY 507 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2rok n LYS 508 N -1.46 2.08 0.31 1.61 5.02 -0.80 -4.87 118.16 120.04 2rok n LYS 508 Ca 0.06 -1.26 0.21 0.00 -2.02 0.00 0.00 58.31 55.30 2rok n LYS 508 Cb 0.25 -0.87 1.06 0.00 -0.02 0.00 0.00 35.03 35.44 2rok n LYS 508 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2rok h LYS 509 N 0.00 0.00 -6.76 1.97 3.64 -1.28 -3.45 116.57 110.69 2rok h LYS 509 Ca 0.00 0.00 -0.56 0.00 -1.27 0.00 0.00 60.65 58.82 2rok h LYS 509 Cb 0.67 0.00 0.10 0.00 -0.41 0.00 0.00 32.23 32.59 2rok h LYS 509 CO 0.00 0.00 0.62 1.04 -2.27 0.00 0.00 179.45 178.84 2rok n GLN 510 N -3.00 2.28 -1.97 1.90 3.00 -1.26 -4.95 117.38 113.38 2rok n GLN 510 Ca -0.02 0.80 -0.42 0.00 -0.01 0.00 0.00 57.00 57.35 2rok n GLN 510 Cb 0.11 -2.45 -0.03 0.00 0.00 0.00 0.00 30.24 27.87 2rok n GLN 510 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 2rok s LYS 511 N -1.48 4.22 0.00 -1.09 2.20 -1.26 -4.84 119.74 117.49 2rok s LYS 511 Ca 0.58 2.31 0.00 0.00 -0.36 0.00 0.00 55.97 58.50 2rok s LYS 511 Cb -0.56 -3.31 0.00 0.00 -1.51 0.00 0.00 37.83 32.45 2rok s LYS 511 CO 0.59 -0.62 0.00 0.41 -0.36 0.00 0.00 175.35 175.36 2rok n GLY 512 N 3.79 -0.14 3.21 5.54 0.00 -1.26 -5.19 105.19 111.14 2rok n GLY 512 Ca 0.14 0.06 -0.12 0.00 0.00 0.00 0.00 46.02 46.10 2rok n GLY 512 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2rok s LYS 513 N 0.00 1.11 0.00 1.61 -2.85 -1.26 -5.18 119.74 113.17 2rok s LYS 513 Ca 0.00 -1.56 -0.13 0.00 -1.00 0.00 0.00 55.97 53.28 2rok s LYS 513 Cb 0.00 0.08 0.02 0.00 -2.06 0.00 0.00 37.83 35.87 2rok s LYS 513 CO 0.00 -0.28 0.27 -1.14 0.10 0.00 0.00 175.35 174.30 2rok s GLN 514 N -4.05 0.66 0.00 1.78 2.00 -1.26 -5.07 119.66 113.72 2rok s GLN 514 Ca 0.30 -0.31 0.17 0.00 -2.00 0.00 0.00 55.36 53.52 2rok s GLN 514 Cb 0.07 0.29 1.00 0.00 0.80 0.00 0.00 33.01 35.17 2rok s GLN 514 CO 0.07 -0.19 1.43 1.33 -0.50 0.00 0.00 175.29 177.43 2rok n VAL 515 N 1.14 0.00 -1.66 1.34 0.24 -1.26 -4.91 118.33 113.23 2rok n VAL 515 Ca -0.21 0.00 -0.44 0.00 -2.04 0.00 0.00 64.34 61.65 2rok n VAL 515 Cb 0.57 -0.59 -0.02 0.00 -1.47 0.00 0.00 33.84 32.33 2rok n VAL 515 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2rok n LYS 516 N -0.91 1.87 -3.98 7.34 4.81 -1.26 -5.02 118.16 121.00 2rok n LYS 516 Ca 0.13 0.66 -0.10 0.00 -0.87 0.00 0.00 58.31 58.12 2rok n LYS 516 Cb 0.06 -2.22 -0.04 0.00 0.02 0.00 0.00 35.03 32.85 2rok n LYS 516 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2rok s SER 517 N -0.12 0.18 0.00 3.14 0.15 -1.26 -5.09 113.70 110.70 2rok s SER 517 Ca 0.62 -1.09 0.00 0.00 0.70 0.00 0.00 55.95 56.18 2rok s SER 517 Cb -0.65 0.66 0.00 0.00 -1.71 0.00 0.00 66.02 64.32 2rok s SER 517 CO 0.56 -1.28 0.00 0.61 1.20 0.00 0.00 173.24 174.33 2rok n GLY 518 N -0.46 -0.04 0.31 9.45 0.00 -1.26 -5.01 105.19 108.18 2rok n GLY 518 Ca -0.02 -0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.16 2rok n GLY 518 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2rok h PRO 519 N 0.00 0.00 -7.08 1.61 0.11 -1.99 -3.45 132.00 121.20 2rok h PRO 519 Ca 0.00 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.55 2rok h PRO 519 Cb 0.00 0.00 0.15 0.00 0.11 0.00 0.00 31.00 31.26 2rok h PRO 519 CO 0.00 0.00 0.57 -1.12 -0.21 0.00 0.00 178.00 177.24 2rok s SER 520 N -5.93 4.91 0.00 -2.05 0.01 -1.26 -4.95 113.70 104.43 2rok s SER 520 Ca -0.05 2.71 0.31 0.00 1.31 0.00 0.00 55.95 60.23 2rok s SER 520 Cb 0.15 -2.63 1.62 0.00 0.21 0.00 0.00 66.02 65.37 2rok s SER 520 CO 0.52 -1.81 2.07 -1.20 0.41 0.00 0.00 173.24 173.23 2rok n SER 521 N -1.47 0.45 0.00 2.44 7.64 -0.29 -5.03 113.62 117.36 2rok n SER 521 Ca 0.13 -1.10 0.00 0.00 1.01 0.00 0.00 58.87 58.91 2rok n SER 521 Cb 0.46 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 2rok n SER 521 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64