#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rok n SER 424 N 0.00 0.35 -1.29 1.61 7.64 -1.26 -4.77 113.62 115.90 2rok n SER 424 Ca 0.00 -1.14 0.00 0.00 1.01 0.00 0.00 58.87 58.74 2rok n SER 424 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2rok n SER 424 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2rok n SER 425 N -0.07 3.95 0.00 6.43 7.64 -1.26 -3.50 113.62 126.81 2rok n SER 425 Ca 0.00 -2.09 0.00 0.00 1.01 0.00 0.00 58.87 57.79 2rok n SER 425 Cb 0.35 -0.78 0.00 0.00 -1.01 0.00 0.00 64.21 62.78 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 1.08 2.30 0.17 0.23 0.00 -1.26 -4.98 105.19 102.73 2rok n GLY 426 Ca 0.00 -0.33 0.12 0.00 0.00 0.00 0.00 46.02 45.80 2rok n GLY 426 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2rok h SER 427 N 0.00 0.00 0.54 1.61 4.64 -2.00 -3.12 113.55 115.22 2rok h SER 427 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2rok h SER 427 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2rok h SER 427 CO 0.00 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.42 2rok n SER 428 N -2.31 0.25 -3.32 4.97 3.41 -1.26 -4.66 113.62 110.71 2rok n SER 428 Ca -0.02 0.57 -0.02 0.00 -0.26 0.00 0.00 58.87 59.14 2rok n SER 428 Cb 0.04 -0.62 0.02 0.00 -0.26 0.00 0.00 64.21 63.39 2rok n SER 428 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2rok n GLY 429 N -0.11 0.53 0.00 5.00 0.00 -1.18 -4.77 105.19 104.67 2rok n GLY 429 Ca 0.03 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.74 -0.53 0.32 -0.02 0.00 -1.26 -4.72 105.19 98.24 2rok n GLY 430 Ca -0.01 -0.87 0.14 0.00 0.00 0.00 0.00 46.02 45.29 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 -4.72 1.61 0.11 -2.01 -3.41 132.00 123.58 2rok h PRO 431 Ca 0.00 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.84 2rok h PRO 431 Cb 0.00 0.00 -0.18 0.00 0.11 0.00 0.00 31.00 30.93 2rok h PRO 431 CO 0.00 0.00 -0.72 -0.51 -0.21 0.00 0.00 178.00 176.56 2rok s ASP 432 N -4.29 1.15 0.00 -2.05 1.01 -1.26 -5.07 116.67 106.17 2rok s ASP 432 Ca -0.03 -0.82 0.14 0.00 0.71 0.00 0.00 52.55 52.55 2rok s ASP 432 Cb 0.08 0.05 0.70 0.00 1.01 0.00 0.00 42.92 44.76 2rok s ASP 432 CO 0.25 -0.33 1.38 0.00 0.21 0.00 0.00 175.17 176.68 2rok n LEU 433 N 0.57 0.00 -3.19 1.23 -0.00 -1.26 -3.91 117.00 110.44 2rok n LEU 433 Ca -0.16 0.30 -0.19 0.00 -0.00 0.00 0.00 56.01 55.96 2rok n LEU 433 Cb 0.58 -0.30 -0.06 0.00 -0.00 0.00 0.00 43.42 43.64 2rok n LEU 433 CO 0.26 -0.16 -0.17 -1.58 -0.00 0.00 0.00 177.39 175.75 2rok s GLN 434 N -2.60 0.93 0.70 1.47 0.74 -1.26 -4.85 119.66 114.80 2rok s GLN 434 Ca 0.13 -1.67 -0.16 0.00 0.05 0.00 0.00 55.36 53.71 2rok s GLN 434 Cb 0.09 -0.92 0.00 0.00 1.10 0.00 0.00 33.01 33.29 2rok s GLN 434 CO 0.21 -1.35 1.06 -2.30 -0.55 0.00 0.00 175.29 172.36 2rok n PRO 435 N 3.01 0.64 0.00 1.67 -0.02 -1.25 -4.98 135.00 134.06 2rok n PRO 435 Ca 0.24 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 2rok n PRO 435 Cb 0.50 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 2rok n PRO 435 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 2rok n LYS 436 N -1.92 3.18 -3.43 -0.52 -0.00 -1.26 -5.08 118.16 109.13 2rok n LYS 436 Ca 0.14 0.00 -0.15 0.00 -0.00 0.00 0.00 58.31 58.29 2rok n LYS 436 Cb 0.49 -0.44 -0.03 0.00 -0.00 0.00 0.00 35.03 35.05 2rok n LYS 436 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2rok n ARG 437 N -0.48 -0.91 0.18 -1.58 1.74 -1.26 -4.76 116.66 109.58 2rok n ARG 437 Ca 0.00 -0.02 0.13 0.00 -0.77 0.00 0.00 57.85 57.19 2rok n ARG 437 Cb 0.00 -1.39 0.63 0.00 -1.02 0.00 0.00 32.46 30.68 2rok n ARG 437 CO 0.00 0.00 0.00 0.38 -1.52 0.00 0.00 177.63 176.49 2rok h ASP 438 N -0.09 0.00 -0.56 0.55 2.03 -2.01 -2.07 116.42 114.27 2rok h ASP 438 Ca -0.30 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.00 2rok h ASP 438 Cb 0.63 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.13 2rok h ASP 438 CO 0.30 0.00 0.00 0.00 -1.03 0.00 0.00 179.24 178.51 2rok n HIS 439 N -2.38 1.16 -4.56 4.15 1.44 -1.26 -4.64 115.22 109.13 2rok n HIS 439 Ca -0.01 -0.48 -0.23 0.00 -2.01 0.00 0.00 57.72 55.00 2rok n HIS 439 Cb 0.11 -0.17 -0.14 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 -1.66 1.29 0.36 0.61 1.01 -0.78 -1.58 120.40 119.64 2rok s VAL 440 Ca 0.42 -0.93 0.08 0.00 0.00 0.00 0.00 61.98 61.55 2rok s VAL 440 Cb 0.26 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.49 2rok s VAL 440 CO 0.22 0.18 0.29 -0.76 0.00 0.00 0.00 175.10 175.03 2rok s LEU 441 N -0.87 3.50 -0.04 3.92 1.43 0.08 -1.77 118.68 124.93 2rok s LEU 441 Ca 0.05 -0.60 0.06 0.00 -1.03 0.00 0.00 54.13 52.61 2rok s LEU 441 Cb -0.07 -2.10 -0.01 0.00 0.03 0.00 0.00 46.19 44.03 2rok s LEU 441 CO 0.01 -0.42 -0.24 -2.28 0.23 0.00 0.00 176.35 173.65 2rok s HIS 442 N -2.36 2.20 -0.01 0.29 5.65 0.31 -1.12 115.29 120.25 2rok s HIS 442 Ca 0.42 -0.54 0.02 0.00 0.25 0.00 0.00 55.06 55.21 2rok s HIS 442 Cb -0.05 -1.44 -0.01 0.00 -1.18 0.00 0.00 32.58 29.91 2rok s HIS 442 CO 0.26 -0.12 -0.08 0.08 -0.65 0.00 0.00 174.74 174.23 2rok s VAL 443 N -0.33 0.63 -0.05 0.89 1.01 -0.07 -1.11 120.40 121.37 2rok s VAL 443 Ca 0.03 -0.34 0.03 0.00 0.00 0.00 0.00 61.98 61.69 2rok s VAL 443 Cb -0.11 -0.54 0.01 0.00 0.00 0.00 0.00 36.38 35.74 2rok s VAL 443 CO 0.01 0.18 -0.13 -0.89 0.00 0.00 0.00 175.10 174.28 2rok s THR 444 N -0.16 1.14 0.11 3.92 2.01 -0.18 -1.74 115.64 120.74 2rok s THR 444 Ca 0.03 -0.52 -0.14 0.00 0.31 0.00 0.00 61.69 61.37 2rok s THR 444 Cb -0.03 -1.02 0.02 0.00 0.01 0.00 0.00 72.50 71.48 2rok s THR 444 CO -0.00 0.35 0.33 0.72 -0.69 0.00 0.00 174.62 175.33 2rok s PHE 445 N 0.41 -0.09 0.60 4.92 -0.12 -0.41 -1.33 117.98 121.95 2rok s PHE 445 Ca -0.10 -0.25 -0.18 0.00 -0.05 0.00 0.00 56.93 56.36 2rok s PHE 445 Cb -0.13 0.16 -0.06 0.00 -0.63 0.00 0.00 43.02 42.35 2rok s PHE 445 CO 0.03 -0.64 0.74 -2.30 -0.05 0.00 0.00 175.22 172.99 2rok n PRO 446 N -0.13 0.67 0.03 1.99 -0.02 -1.26 -4.61 135.00 131.66 2rok n PRO 446 Ca -0.16 0.26 0.21 0.00 -2.02 0.00 0.00 63.50 61.80 2rok n PRO 446 Cb 0.63 -1.93 0.73 0.00 -0.02 0.00 0.00 33.50 32.90 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 0.29 0.00 0.00 -0.52 2.10 -1.93 -2.12 116.57 114.39 2rok h LYS 447 Ca -0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 2rok h LYS 447 Cb 1.38 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.71 2rok h LYS 447 CO 0.48 0.00 -0.10 0.39 -2.00 0.00 0.00 179.45 178.22 2rok n GLU 448 N -4.06 0.16 -1.75 0.07 1.02 -1.26 -4.91 120.64 109.91 2rok n GLU 448 Ca 0.09 0.12 -0.35 0.00 -0.02 0.00 0.00 57.16 57.01 2rok n GLU 448 Cb 0.64 -1.67 0.06 0.00 -0.02 0.00 0.00 31.44 30.45 2rok n GLU 448 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2rok s TRP 449 N -3.07 2.34 0.29 -0.32 0.52 -0.80 -5.07 118.94 112.83 2rok s TRP 449 Ca 0.11 1.56 0.03 0.00 0.02 0.00 0.00 56.10 57.82 2rok s TRP 449 Cb 0.15 -3.39 -0.06 0.00 -1.15 0.00 0.00 33.47 29.02 2rok s TRP 449 CO 0.59 -2.19 0.05 0.15 0.02 0.00 0.00 176.95 175.57 2rok s LYS 450 N -3.73 1.54 0.42 4.98 -0.14 -1.26 -5.03 119.74 116.52 2rok s LYS 450 Ca 0.73 -1.84 0.22 0.00 -1.36 0.00 0.00 55.97 53.72 2rok s LYS 450 Cb -0.27 -0.72 1.19 0.00 -1.68 0.00 0.00 37.83 36.34 2rok s LYS 450 CO 0.39 -0.18 1.77 1.15 -0.76 0.00 0.00 175.35 177.72 2rok h THR 451 N 2.24 0.49 -0.46 2.17 2.02 -1.99 -1.44 112.91 115.94 2rok h THR 451 Ca -0.40 -0.11 -0.04 0.00 0.77 0.00 0.00 66.41 66.63 2rok h THR 451 Cb 1.24 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 2rok h THR 451 CO 0.67 0.06 0.12 0.28 0.37 0.00 0.00 175.52 177.02 2rok h SER 452 N 0.32 0.69 -0.07 4.18 0.02 -1.99 -0.02 113.55 116.68 2rok h SER 452 Ca 0.60 -0.22 -0.05 0.00 -0.84 0.00 0.00 61.79 61.27 2rok h SER 452 Cb 1.66 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 64.01 2rok h SER 452 CO -0.26 0.73 -0.10 0.44 -1.14 0.00 0.00 176.83 176.50 2rok h ASP 453 N 0.61 0.35 -0.17 3.07 3.32 -1.68 -0.78 116.42 121.14 2rok h ASP 453 Ca 0.15 -0.07 -0.10 0.00 0.02 0.00 0.00 57.03 57.02 2rok h ASP 453 Cb 0.31 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.76 2rok h ASP 453 CO -0.00 0.49 -0.28 -0.07 -1.72 0.00 0.00 179.24 177.66 2rok h LEU 454 N 0.35 0.54 -0.68 1.55 3.38 -1.15 -1.42 115.31 117.88 2rok h LEU 454 Ca 0.07 -0.53 0.02 0.00 0.09 0.00 0.00 57.88 57.53 2rok h LEU 454 Cb 0.39 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 2rok h LEU 454 CO 0.02 0.97 0.44 1.88 0.09 0.00 0.00 178.44 181.83 2rok h TYR 455 N 0.13 0.82 -0.20 1.13 -1.99 -0.87 -2.21 116.97 113.78 2rok h TYR 455 Ca 0.01 0.02 -0.02 0.00 2.00 0.00 0.00 58.73 60.75 2rok h TYR 455 Cb 0.86 -0.27 -0.01 0.00 2.00 0.00 0.00 36.73 39.30 2rok h TYR 455 CO 0.09 0.50 0.06 0.37 -0.00 0.00 0.00 178.16 179.18 2rok h GLN 456 N 0.87 0.28 -0.03 4.88 -0.00 -1.06 -0.03 115.11 120.02 2rok h GLN 456 Ca 0.26 -0.03 -0.20 0.00 -0.00 0.00 0.00 58.65 58.68 2rok h GLN 456 Cb -0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 27.48 27.37 2rok h GLN 456 CO -0.08 0.26 -0.82 1.25 0.00 0.00 0.00 178.83 179.44 2rok h LEU 457 N 0.28 0.40 -0.48 -2.39 5.85 -0.83 -3.40 115.31 114.75 2rok h LEU 457 Ca 0.07 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.49 2rok h LEU 457 Cb 0.10 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.01 2rok h LEU 457 CO -0.00 1.06 -0.10 0.49 -0.34 0.00 0.00 178.44 179.55 2rok n PHE 458 N -3.76 0.00 0.28 1.25 3.72 -0.87 -4.63 117.46 113.45 2rok n PHE 458 Ca -0.05 0.00 0.18 0.00 -0.05 0.00 0.00 57.45 57.54 2rok n PHE 458 Cb 0.77 0.00 0.96 0.00 -0.94 0.00 0.00 39.48 40.27 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 0.34 0.00 -0.03 4.37 4.64 -1.21 -1.94 113.55 119.72 2rok h SER 459 Ca 0.00 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.33 2rok h SER 459 Cb 0.12 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.21 2rok h SER 459 CO 0.00 0.00 0.09 0.00 -0.87 0.00 0.00 176.83 176.05 2rok h ALA 460 N 1.80 1.25 -0.01 5.18 0.00 -1.85 -1.77 119.26 123.86 2rok h ALA 460 Ca 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2rok h ALA 460 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2rok h ALA 460 CO -0.00 -0.10 -0.42 1.19 0.00 0.00 0.00 179.25 179.92 2rok n PHE 461 N -3.27 0.00 0.00 0.00 3.72 -0.73 -5.09 117.46 112.09 2rok n PHE 461 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 2rok n PHE 461 Cb 0.16 -0.08 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 1.40 -0.22 3.72 1.37 0.00 -0.67 -4.77 105.19 106.01 2rok n GLY 462 Ca 0.10 -2.02 -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 4.13 0.31 1.61 4.22 -1.26 -4.40 114.94 115.55 2rok s ASN 463 Ca 0.00 2.42 0.02 0.00 -2.14 0.00 0.00 52.86 53.17 2rok s ASN 463 Cb 0.00 -2.60 -0.02 0.00 1.28 0.00 0.00 41.25 39.91 2rok s ASN 463 CO 0.00 -2.31 0.31 0.27 -2.04 0.00 0.00 177.10 173.33 2rok s ILE 464 N -1.88 0.00 -0.02 0.54 -4.36 -1.26 -4.51 121.20 109.71 2rok s ILE 464 Ca 0.76 -1.87 -0.05 0.00 -0.26 0.00 0.00 60.65 59.22 2rok s ILE 464 Cb -0.31 -2.52 0.00 0.00 1.25 0.00 0.00 42.46 40.88 2rok s ILE 464 CO 0.45 0.00 0.12 -1.58 0.24 0.00 0.00 174.94 174.17 2rok s GLN 465 N -3.50 0.34 -0.05 0.37 0.74 -1.22 -5.00 119.66 111.34 2rok s GLN 465 Ca 0.37 -0.20 0.03 0.00 0.05 0.00 0.00 55.36 55.61 2rok s GLN 465 Cb 0.02 0.14 0.01 0.00 1.10 0.00 0.00 33.01 34.28 2rok s GLN 465 CO 0.22 -0.07 -0.12 0.42 -0.55 0.00 0.00 175.29 175.19 2rok s ILE 466 N -0.84 1.06 -0.33 -2.34 1.01 -1.26 -0.78 121.20 117.73 2rok s ILE 466 Ca -0.09 -0.48 -0.01 0.00 0.00 0.00 0.00 60.65 60.06 2rok s ILE 466 Cb -0.05 -0.95 0.11 0.00 0.01 0.00 0.00 42.46 41.58 2rok s ILE 466 CO 0.01 0.33 0.14 -0.44 0.00 0.00 0.00 174.94 174.97 2rok s SER 467 N 0.36 3.72 0.74 3.58 0.01 -0.43 -5.01 113.70 116.66 2rok s SER 467 Ca -0.08 -1.75 -0.15 0.00 1.31 0.00 0.00 55.95 55.28 2rok s SER 467 Cb -0.12 -0.69 0.04 0.00 0.21 0.00 0.00 66.02 65.46 2rok s SER 467 CO 0.02 -0.39 1.25 0.26 0.41 0.00 0.00 173.24 174.79 2rok s TRP 468 N 1.51 1.90 0.00 2.43 0.52 -1.26 -0.78 118.94 123.26 2rok s TRP 468 Ca 0.12 1.59 0.00 0.00 0.02 0.00 0.00 56.10 57.83 2rok s TRP 468 Cb -0.19 -3.59 0.00 0.00 -1.15 0.00 0.00 33.47 28.54 2rok s TRP 468 CO -0.22 -2.93 0.00 0.44 0.02 0.00 0.00 176.95 174.26 2rok n ILE 469 N -2.69 0.00 -4.04 2.03 -5.35 -1.04 -4.83 119.36 103.44 2rok n ILE 469 Ca 0.15 0.00 -0.11 0.00 -0.27 0.00 0.00 62.75 62.52 2rok n ILE 469 Cb 0.49 -0.06 -0.05 0.00 -1.74 0.00 0.00 39.64 38.29 2rok n ILE 469 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 2rok s ASP 470 N -1.10 0.27 0.66 7.28 1.01 -0.58 -5.00 116.67 119.21 2rok s ASP 470 Ca 0.00 -1.17 0.41 0.00 0.71 0.00 0.00 52.55 52.50 2rok s ASP 470 Cb 0.00 0.60 2.26 0.00 1.01 0.00 0.00 42.92 46.79 2rok s ASP 470 CO 0.00 -1.19 2.29 -0.78 0.21 0.00 0.00 175.17 175.70 2rok h ASP 471 N 2.23 0.00 0.00 0.27 3.58 -1.98 -3.21 116.42 117.32 2rok h ASP 471 Ca -0.28 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.17 2rok h ASP 471 Cb 1.25 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.30 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 -3.12 0.06 -3.64 2.25 -2.24 -1.26 -4.60 114.28 101.73 2rok n THR 472 Ca -0.03 -0.37 -0.15 0.00 -2.27 0.00 0.00 64.05 61.24 2rok n THR 472 Cb 0.13 1.27 -0.07 0.00 -2.10 0.00 0.00 70.33 69.56 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 -0.06 -0.39 0.13 3.42 1.04 -1.21 -1.29 113.70 115.33 2rok s SER 473 Ca 0.00 0.30 -0.15 0.00 0.48 0.00 0.00 55.95 56.57 2rok s SER 473 Cb 0.00 0.43 0.03 0.00 0.10 0.00 0.00 66.02 66.57 2rok s SER 473 CO 0.00 -0.57 0.38 0.00 0.98 0.00 0.00 173.24 174.04 2rok s ALA 474 N -1.59 -0.82 0.26 5.32 0.00 -0.71 -1.52 121.76 122.70 2rok s ALA 474 Ca -0.10 -0.16 -0.12 0.00 0.00 0.00 0.00 51.96 51.58 2rok s ALA 474 Cb -0.02 0.69 -0.08 0.00 0.00 0.00 0.00 23.12 23.71 2rok s ALA 474 CO 0.05 -0.64 0.61 -0.06 0.00 0.00 0.00 175.76 175.71 2rok s PHE 475 N -3.82 3.42 -0.06 0.00 0.08 0.04 -0.89 117.98 116.74 2rok s PHE 475 Ca 0.04 1.00 -0.02 0.00 0.12 0.00 0.00 56.93 58.07 2rok s PHE 475 Cb 0.02 -2.36 0.03 0.00 -0.57 0.00 0.00 43.02 40.15 2rok s PHE 475 CO -0.11 0.22 0.04 0.08 -0.10 0.00 0.00 175.22 175.35 2rok s VAL 476 N -1.86 0.05 0.31 -0.44 1.01 -0.28 -1.31 120.40 117.88 2rok s VAL 476 Ca 0.49 0.28 -0.25 0.00 0.00 0.00 0.00 61.98 62.50 2rok s VAL 476 Cb -0.11 -0.31 -0.10 0.00 0.00 0.00 0.00 36.38 35.86 2rok s VAL 476 CO 0.20 0.17 0.91 -0.55 0.00 0.00 0.00 175.10 175.82 2rok s SER 477 N 2.10 7.28 0.13 3.32 0.15 0.04 -0.74 113.70 125.98 2rok s SER 477 Ca 0.05 1.76 0.06 0.00 0.70 0.00 0.00 55.95 58.51 2rok s SER 477 Cb -0.12 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.60 2rok s SER 477 CO -0.04 -0.06 -0.13 -0.76 1.20 0.00 0.00 173.24 173.45 2rok s LEU 478 N -2.06 2.43 0.47 3.45 1.43 -0.61 -3.41 118.68 120.38 2rok s LEU 478 Ca 0.49 -0.85 0.26 0.00 -1.03 0.00 0.00 54.13 53.00 2rok s LEU 478 Cb -0.18 -0.52 1.14 0.00 0.03 0.00 0.00 46.19 46.66 2rok s LEU 478 CO 0.23 -0.17 1.92 0.28 0.23 0.00 0.00 176.35 178.84 2rok h SER 479 N 3.38 0.00 -4.88 2.29 0.02 -1.85 -3.44 113.55 109.07 2rok h SER 479 Ca -0.39 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.34 2rok h SER 479 Cb 1.20 0.00 -0.20 0.00 0.14 0.00 0.00 62.40 63.53 2rok h SER 479 CO 0.53 0.18 -0.71 -1.10 -1.14 0.00 0.00 176.83 174.59 2rok s GLN 480 N -3.86 0.46 0.50 3.45 1.11 -1.26 -5.05 119.66 115.01 2rok s GLN 480 Ca -0.01 -0.77 0.33 0.00 0.01 0.00 0.00 55.36 54.92 2rok s GLN 480 Cb 0.11 -0.08 1.46 0.00 -1.01 0.00 0.00 33.01 33.49 2rok s GLN 480 CO 0.61 -0.01 1.98 -1.00 0.01 0.00 0.00 175.29 176.88 2rok h PRO 481 N 4.35 0.00 -0.59 2.91 0.13 -1.84 -2.36 132.00 134.60 2rok h PRO 481 Ca -0.34 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.73 2rok h PRO 481 Cb 1.20 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 2rok h PRO 481 CO 0.44 0.00 0.13 1.49 -0.23 0.00 0.00 178.00 179.84 2rok h GLU 482 N 0.00 0.93 -0.16 0.86 4.81 -1.97 -3.00 114.58 116.05 2rok h GLU 482 Ca 0.00 -0.21 -0.09 0.00 -0.13 0.00 0.00 59.36 58.94 2rok h GLU 482 Cb 0.37 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 2rok h GLU 482 CO 0.00 0.84 -0.29 1.96 -0.73 0.00 0.00 179.01 180.78 2rok h GLN 483 N 0.89 0.31 -0.31 1.92 4.20 -1.84 -2.21 115.11 118.06 2rok h GLN 483 Ca 0.19 -0.12 0.02 0.00 0.06 0.00 0.00 58.65 58.80 2rok h GLN 483 Cb 0.34 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.07 2rok h GLN 483 CO 0.00 0.58 0.17 0.28 -0.67 0.00 0.00 178.83 179.19 2rok h VAL 484 N 0.27 1.01 -0.61 -0.54 2.07 -1.54 -0.64 116.25 116.28 2rok h VAL 484 Ca 0.04 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 2rok h VAL 484 Cb 0.66 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 2rok h VAL 484 CO 0.05 0.06 0.29 -0.61 0.02 0.00 0.00 177.57 177.38 2rok h GLN 485 N 0.35 0.88 -0.52 1.57 4.15 -1.36 -2.25 115.11 117.94 2rok h GLN 485 Ca 0.13 -0.13 -0.02 0.00 0.77 0.00 0.00 58.65 59.39 2rok h GLN 485 Cb 0.02 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.53 2rok h GLN 485 CO -0.07 0.71 0.23 0.82 -1.93 0.00 0.00 178.83 178.59 2rok h ILE 486 N 0.83 1.20 -0.70 2.39 2.04 -1.17 -1.11 117.51 121.00 2rok h ILE 486 Ca 0.21 -0.61 -0.04 0.00 1.00 0.00 0.00 64.86 65.42 2rok h ILE 486 Cb 0.13 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 2rok h ILE 486 CO -0.03 0.23 0.26 0.00 0.00 0.00 0.00 178.15 178.62 2rok h ALA 487 N 1.07 1.15 -0.44 1.87 0.00 -0.99 -0.58 119.26 121.35 2rok h ALA 487 Ca 0.18 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 2rok h ALA 487 Cb 0.15 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2rok h ALA 487 CO -0.02 0.60 -0.05 0.28 0.00 0.00 0.00 179.25 180.07 2rok h VAL 488 N 1.01 1.27 -0.53 0.00 2.07 -1.24 -2.15 116.25 116.67 2rok h VAL 488 Ca 0.23 -1.12 -0.00 0.00 0.82 0.00 0.00 66.70 66.63 2rok h VAL 488 Cb 0.21 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 2rok h VAL 488 CO -0.02 0.38 0.33 -1.13 0.02 0.00 0.00 177.57 177.15 2rok h ASN 489 N 0.64 0.64 1.34 0.57 -1.24 -0.88 -3.04 115.58 113.61 2rok h ASN 489 Ca 0.12 -0.05 -0.03 0.00 0.71 0.00 0.00 56.30 57.05 2rok h ASN 489 Cb 0.56 -0.16 -0.00 0.00 0.73 0.00 0.00 38.32 39.44 2rok h ASN 489 CO 0.03 0.50 -0.13 0.71 -1.29 0.00 0.00 177.43 177.26 2rok h THR 490 N 0.72 0.27 0.00 -3.57 1.35 -1.10 -3.15 112.91 107.42 2rok h THR 490 Ca 0.19 -1.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.01 2rok h THR 490 Cb -0.02 1.84 0.00 0.00 -1.73 0.00 0.00 68.15 68.24 2rok h THR 490 CO -0.04 0.13 0.00 0.77 -0.25 0.00 0.00 175.52 176.13 2rok h SER 491 N 0.00 0.00 0.00 5.36 4.64 -1.26 -2.93 113.55 119.36 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 0.83 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 2rok h SER 491 CO 0.02 0.00 0.14 0.11 -0.87 0.00 0.00 176.83 176.22 2rok h LYS 492 N 0.00 0.00 0.00 4.77 1.57 -1.68 -2.51 116.57 118.72 2rok h LYS 492 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2rok h LYS 492 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 2rok h LYS 492 CO 0.00 0.00 -0.10 0.66 -0.57 0.00 0.00 179.45 179.44 2rok n TYR 493 N -2.21 0.00 -0.09 -1.35 4.01 -1.11 -4.87 117.16 111.54 2rok n TYR 493 Ca -0.01 -0.52 -0.04 0.00 -0.16 0.00 0.00 57.90 57.16 2rok n TYR 493 Cb 0.17 -0.08 0.16 0.00 -0.31 0.00 0.00 39.34 39.28 2rok n TYR 493 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2rok h ALA 494 N 0.00 1.10 0.00 -0.72 0.00 -1.61 -3.47 119.26 114.56 2rok h ALA 494 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2rok h ALA 494 Cb 0.95 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2rok h ALA 494 CO 0.00 0.57 0.00 0.39 0.00 0.00 0.00 179.25 180.21 2rok n GLU 495 N -4.20 0.00 0.00 0.00 1.02 -1.26 -4.24 120.64 111.95 2rok n GLU 495 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 2rok n GLU 495 Cb 0.32 -2.26 0.00 0.00 -0.02 0.00 0.00 31.44 29.47 2rok n GLU 495 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2rok n SER 496 N 0.00 0.26 -3.30 1.62 7.64 -1.26 -5.10 113.62 113.47 2rok n SER 496 Ca 0.00 -1.03 -0.10 0.00 1.01 0.00 0.00 58.87 58.75 2rok n SER 496 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 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 -0.03 0.36 0.01 1.43 1.13 -1.26 -4.51 117.35 114.48 2rok s TYR 497 Ca 0.00 -0.84 -0.07 0.00 -1.41 0.00 0.00 57.07 54.74 2rok s TYR 497 Cb 0.00 0.48 0.00 0.00 -1.10 0.00 0.00 41.96 41.34 2rok s TYR 497 CO 0.00 -1.32 0.13 0.50 -2.51 0.00 0.00 175.55 172.35 2rok s ARG 498 N -2.99 0.49 0.02 -3.49 3.52 -0.44 -4.75 118.95 111.30 2rok s ARG 498 Ca 0.20 -0.43 0.02 0.00 -0.13 0.00 0.00 55.73 55.39 2rok s ARG 498 Cb -0.03 0.20 -0.01 0.00 -1.56 0.00 0.00 34.95 33.55 2rok s ARG 498 CO 0.13 -0.12 -0.07 0.42 -0.81 0.00 0.00 175.30 174.85 2rok s ILE 499 N -1.46 0.50 0.21 4.11 1.01 -1.26 -1.01 121.20 123.30 2rok s ILE 499 Ca -0.14 -0.59 -0.09 0.00 0.00 0.00 0.00 60.65 59.83 2rok s ILE 499 Cb -0.07 -0.48 -0.01 0.00 0.01 0.00 0.00 42.46 41.90 2rok s ILE 499 CO 0.01 -0.08 0.33 0.00 0.00 0.00 0.00 174.94 175.21 2rok s GLN 500 N -0.73 1.35 0.83 2.79 -2.07 -0.27 -4.87 119.66 116.68 2rok s GLN 500 Ca -0.03 -1.33 -0.11 0.00 -1.82 0.00 0.00 55.36 52.07 2rok s GLN 500 Cb -0.05 0.39 0.09 0.00 -1.09 0.00 0.00 33.01 32.35 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 -4.04 3.01 0.25 3.63 -4.23 -1.26 -0.53 115.64 112.47 2rok s THR 501 Ca 0.25 0.33 -0.04 0.00 -1.18 0.00 0.00 61.69 61.05 2rok s THR 501 Cb 0.02 -2.91 0.22 0.00 1.34 0.00 0.00 72.50 71.18 2rok s THR 501 CO 0.07 -0.43 1.82 0.22 -0.54 0.00 0.00 174.62 175.76 2rok h TYR 502 N -1.27 0.90 -0.65 3.99 3.20 -1.61 -1.72 116.97 119.81 2rok h TYR 502 Ca -0.47 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.34 2rok h TYR 502 Cb 1.26 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 39.23 2rok h TYR 502 CO 0.48 0.38 0.08 0.00 -1.64 0.00 0.00 178.16 177.46 2rok h ALA 503 N 1.46 0.86 -0.10 1.82 0.00 -1.86 -0.90 119.26 120.54 2rok h ALA 503 Ca 0.41 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 2rok h ALA 503 Cb 0.35 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2rok h ALA 503 CO -0.24 0.65 -0.33 0.93 0.00 0.00 0.00 179.25 180.26 2rok h GLU 504 N 1.00 0.20 -0.00 0.00 3.07 -1.87 -1.40 114.58 115.58 2rok h GLU 504 Ca 0.19 -0.08 -0.00 0.00 -0.50 0.00 0.00 59.36 58.98 2rok h GLU 504 Cb 0.47 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.37 2rok h GLU 504 CO 0.02 0.51 -0.00 -0.92 -1.40 0.00 0.00 179.01 177.22 2rok h TYR 505 N 0.17 0.00 -0.87 4.33 3.20 -1.10 -3.25 116.97 119.45 2rok h TYR 505 Ca 0.02 -0.00 0.12 0.00 3.14 0.00 0.00 58.73 62.02 2rok h TYR 505 Cb 0.67 -0.00 -0.09 0.00 1.54 0.00 0.00 36.73 38.85 2rok h TYR 505 CO 0.01 0.36 0.49 0.28 -1.64 0.00 0.00 178.16 177.66 2rok h VAL 506 N -0.36 0.82 0.00 1.81 2.07 -0.96 -0.73 116.25 118.91 2rok h VAL 506 Ca 0.00 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.26 2rok h VAL 506 Cb 0.36 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.15 2rok h VAL 506 CO 0.00 0.14 0.00 0.61 0.02 0.00 0.00 177.57 178.34 2rok n GLY 507 N -1.33 -0.93 0.00 2.17 0.00 -0.54 -2.89 105.19 101.67 2rok n GLY 507 Ca 0.16 -0.04 0.03 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.50 2.19 -0.36 1.61 5.02 -0.40 -4.85 118.16 119.86 2rok n LYS 508 Ca 0.03 -0.03 0.27 0.00 -2.02 0.00 0.00 58.31 56.56 2rok n LYS 508 Cb 0.15 -1.00 0.55 0.00 -0.02 0.00 0.00 35.03 34.70 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 0.28 0.00 1.97 3.64 -1.09 0.87 116.57 122.24 2rok h LYS 509 Ca 0.00 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 2rok h LYS 509 Cb 0.24 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.99 2rok h LYS 509 CO 0.00 0.18 -0.03 1.96 -2.27 0.00 0.00 179.45 179.30 2rok h GLN 510 N 0.29 0.00 0.00 1.90 1.08 -1.89 -3.39 115.11 113.10 2rok h GLN 510 Ca 0.68 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.88 2rok h GLN 510 Cb 1.87 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.30 2rok h GLN 510 CO -0.36 0.03 0.00 1.17 -0.95 0.00 0.00 178.83 178.71 2rok n LYS 511 N -3.17 3.25 0.26 1.46 4.81 -0.53 -4.98 118.16 119.27 2rok n LYS 511 Ca -0.01 0.00 0.18 0.00 -0.87 0.00 0.00 58.31 57.61 2rok n LYS 511 Cb 0.24 -0.27 0.92 0.00 0.02 0.00 0.00 35.03 35.94 2rok n LYS 511 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 2rok h GLY 512 N 0.00 0.00 -3.80 3.14 0.00 -1.07 -3.41 103.07 97.93 2rok h GLY 512 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.20 2rok h GLY 512 CO 0.00 0.00 -0.63 -1.59 0.00 0.00 0.00 176.54 174.32 2rok s LYS 513 N -4.49 0.55 -0.05 4.80 -2.85 -1.26 -5.09 119.74 111.35 2rok s LYS 513 Ca -0.05 -0.96 0.09 0.00 -1.00 0.00 0.00 55.97 54.05 2rok s LYS 513 Cb 0.14 0.20 0.15 0.00 -2.06 0.00 0.00 37.83 36.26 2rok s LYS 513 CO 0.49 -0.11 1.07 1.04 0.10 0.00 0.00 175.35 177.94 2rok n GLN 514 N 0.58 0.49 -3.88 1.78 1.13 -1.26 -5.04 117.38 111.17 2rok n GLN 514 Ca -0.17 -1.69 -0.11 0.00 -1.94 0.00 0.00 57.00 53.08 2rok n GLN 514 Cb 0.59 -0.84 -0.11 0.00 0.11 0.00 0.00 30.24 30.00 2rok n GLN 514 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2rok s VAL 515 N -1.08 0.07 0.00 5.09 0.11 -1.26 -5.06 120.40 118.26 2rok s VAL 515 Ca 0.15 -0.55 0.00 0.00 -2.93 0.00 0.00 61.98 58.65 2rok s VAL 515 Cb 0.14 -0.33 0.00 0.00 -1.53 0.00 0.00 36.38 34.66 2rok s VAL 515 CO -0.01 -0.30 0.00 1.17 -3.33 0.00 0.00 175.10 172.63 2rok n LYS 516 N 1.90 5.10 -4.03 1.54 4.81 -1.26 -5.14 118.16 121.08 2rok n LYS 516 Ca -0.20 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.14 2rok n LYS 516 Cb 0.56 -0.48 -0.08 0.00 0.02 0.00 0.00 35.03 35.06 2rok n LYS 516 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 2rok s SER 517 N -0.11 0.08 0.13 3.14 0.01 -1.26 -5.02 113.70 110.68 2rok s SER 517 Ca 0.00 -1.00 -0.24 0.00 1.31 0.00 0.00 55.95 56.01 2rok s SER 517 Cb 0.00 0.42 0.08 0.00 0.21 0.00 0.00 66.02 66.73 2rok s SER 517 CO 0.00 -0.89 1.09 -0.83 0.41 0.00 0.00 173.24 173.02 2rok s GLY 518 N -3.01 -0.03 0.05 3.44 0.00 -1.26 -5.05 107.32 101.45 2rok s GLY 518 Ca 0.22 -0.10 0.19 0.00 0.00 0.00 0.00 44.72 45.03 2rok s GLY 518 CO 0.03 2.32 1.60 -1.55 0.00 0.00 0.00 173.10 175.50 2rok n PRO 519 N -0.68 0.04 0.20 2.90 -0.04 -1.26 -3.59 135.00 132.57 2rok n PRO 519 Ca -0.03 0.23 0.13 0.00 -0.04 0.00 0.00 63.50 63.79 2rok n PRO 519 Cb 0.60 -1.57 0.71 0.00 -0.04 0.00 0.00 33.50 33.20 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 0.77 3.54 4.64 -2.06 -2.45 113.55 118.00 2rok h SER 520 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2rok h SER 520 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 2rok h SER 520 CO 0.00 0.00 0.00 0.77 -0.87 0.00 0.00 176.83 176.73 2rok h SER 521 N 0.00 0.00 0.00 4.97 4.64 -2.02 -3.57 113.55 117.57 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 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 2rok h SER 521 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57