#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lug s GLN 441 N 0.00 3.79 0.30 -1.58 -0.21 -1.26 -5.01 119.66 115.68 3lug s GLN 441 Ca 0.00 1.18 -0.29 0.00 0.02 0.00 0.00 55.36 56.27 3lug s GLN 441 Cb 0.00 -2.10 -0.10 0.00 1.00 0.00 0.00 33.01 31.81 3lug s GLN 441 CO 0.00 -0.42 1.26 0.12 -2.12 0.00 0.00 175.29 174.13 3lug s PHE 442 N -2.30 3.21 -0.18 0.91 5.36 -1.26 -4.98 117.98 118.73 3lug s PHE 442 Ca 0.63 1.44 -0.11 0.00 -0.96 0.00 0.00 56.93 57.93 3lug s PHE 442 Cb -0.13 -3.58 -0.05 0.00 -0.34 0.00 0.00 43.02 38.92 3lug s PHE 442 CO 0.26 -1.57 0.19 -1.01 -1.46 0.00 0.00 175.22 171.62 3lug s HIS 443 N -0.92 3.43 0.50 10.12 3.76 -1.26 -5.10 115.29 125.82 3lug s HIS 443 Ca 0.49 0.43 -0.03 0.00 -0.15 0.00 0.00 55.06 55.80 3lug s HIS 443 Cb -0.37 -2.22 -0.01 0.00 1.11 0.00 0.00 32.58 31.09 3lug s HIS 443 CO 0.48 0.28 0.77 0.99 -0.85 0.00 0.00 174.74 176.41 3lug s THR 444 N 0.36 4.18 0.00 1.30 2.01 -1.26 -4.50 115.64 117.73 3lug s THR 444 Ca 0.11 -0.16 0.00 0.00 0.31 0.00 0.00 61.69 61.95 3lug s THR 444 Cb -0.12 -3.59 0.00 0.00 0.01 0.00 0.00 72.50 68.80 3lug s THR 444 CO 0.00 -0.52 0.00 0.61 -0.69 0.00 0.00 174.62 174.02 3lug n GLY 445 N -2.27 0.55 3.73 4.40 0.00 -1.26 -5.00 105.19 105.33 3lug n GLY 445 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 3lug n GLY 445 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3lug s ILE 446 N -2.35 4.10 -0.08 -0.61 1.01 -1.26 -5.03 121.20 116.99 3lug s ILE 446 Ca 0.00 1.66 -0.02 0.00 0.00 0.00 0.00 60.65 62.29 3lug s ILE 446 Cb 0.00 -4.06 0.03 0.00 0.01 0.00 0.00 42.46 38.44 3lug s ILE 446 CO 0.00 0.21 0.01 -1.61 0.00 0.00 0.00 174.94 173.55 3lug s GLU 447 N 0.30 0.56 -0.53 2.79 2.02 -1.26 -3.60 118.70 118.97 3lug s GLU 447 Ca 0.53 0.09 -0.16 0.00 0.02 0.00 0.00 54.97 55.45 3lug s GLU 447 Cb -0.28 -1.02 0.12 0.00 0.10 0.00 0.00 34.13 33.04 3lug s GLU 447 CO 0.32 -0.33 0.50 0.42 0.02 0.00 0.00 175.26 176.18 3lug s ILE 448 N 1.98 5.18 -0.21 -1.63 1.09 0.20 -4.88 121.20 122.93 3lug s ILE 448 Ca 0.05 -1.37 -0.02 0.00 -1.10 0.00 0.00 60.65 58.21 3lug s ILE 448 Cb -0.13 -4.31 -0.20 0.00 -1.06 0.00 0.00 42.46 36.77 3lug s ILE 448 CO -0.05 -0.83 -0.03 0.29 -0.10 0.00 0.00 174.94 174.22 3lug n LYS 449 N 5.33 0.68 -3.84 2.79 4.76 -1.26 -1.26 118.16 125.36 3lug n LYS 449 Ca -0.13 0.20 -0.36 0.00 -2.87 0.00 0.00 58.31 55.15 3lug n LYS 449 Cb 0.41 -1.59 -0.13 0.00 -1.84 0.00 0.00 35.03 31.89 3lug n LYS 449 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3lug s VAL 450 N -2.53 3.27 0.09 -0.18 1.01 -1.26 -4.80 120.40 116.00 3lug s VAL 450 Ca -0.31 -1.45 -0.11 0.00 0.00 0.00 0.00 61.98 60.12 3lug s VAL 450 Cb 0.08 -2.95 0.01 0.00 0.00 0.00 0.00 36.38 33.52 3lug s VAL 450 CO 0.65 -0.25 0.24 -1.66 0.00 0.00 0.00 175.10 174.09 3lug s TRP 451 N 1.27 0.05 0.07 5.22 1.48 -1.26 -0.13 118.94 125.64 3lug s TRP 451 Ca -0.02 -0.42 0.04 0.00 -1.06 0.00 0.00 56.10 54.64 3lug s TRP 451 Cb -0.20 0.02 -0.03 0.00 -1.16 0.00 0.00 33.47 32.10 3lug s TRP 451 CO -0.01 -0.56 -0.10 0.00 -4.06 0.00 0.00 176.95 172.22 3lug s ALA 452 N -3.63 0.91 -0.17 2.67 0.00 -0.54 -0.59 121.76 120.40 3lug s ALA 452 Ca 0.03 -0.95 -0.02 0.00 0.00 0.00 0.00 51.96 51.01 3lug s ALA 452 Cb 0.03 -0.00 -0.02 0.00 0.00 0.00 0.00 23.12 23.13 3lug s ALA 452 CO -0.10 0.04 -0.08 0.42 0.00 0.00 0.00 175.76 176.04 3lug s ILE 453 N -1.63 3.39 -0.31 0.00 1.01 0.07 -0.02 121.20 123.71 3lug s ILE 453 Ca -0.03 -0.52 0.01 0.00 0.00 0.00 0.00 60.65 60.10 3lug s ILE 453 Cb -0.08 -2.48 0.07 0.00 0.01 0.00 0.00 42.46 39.98 3lug s ILE 453 CO 0.01 0.48 0.00 0.00 0.00 0.00 0.00 174.94 175.43 3lug s ALA 454 N 0.71 2.80 -0.46 9.38 0.00 -0.47 -2.54 121.76 131.18 3lug s ALA 454 Ca -0.04 -2.04 -0.17 0.00 0.00 0.00 0.00 51.96 49.72 3lug s ALA 454 Cb -0.15 -1.90 0.05 0.00 0.00 0.00 0.00 23.12 21.13 3lug s ALA 454 CO 0.02 -1.41 0.46 0.00 0.00 0.00 0.00 175.76 174.83 3lug n PHE 456 N 5.58 0.00 -2.86 0.00 3.72 -0.03 -1.68 117.46 122.19 3lug n PHE 456 Ca -0.09 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 56.95 3lug n PHE 456 Cb 0.45 -0.02 -0.07 0.00 -0.94 0.00 0.00 39.48 38.91 3lug n PHE 456 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3lug s ALA 457 N -2.08 3.19 0.26 4.37 0.00 -1.20 -4.42 121.76 121.88 3lug s ALA 457 Ca 0.37 0.40 -0.31 0.00 0.00 0.00 0.00 51.96 52.42 3lug s ALA 457 Cb 0.21 -3.09 -0.12 0.00 0.00 0.00 0.00 23.12 20.11 3lug s ALA 457 CO 0.37 0.19 1.61 -2.30 0.00 0.00 0.00 175.76 175.63 3lug n PRO 458 N 0.13 2.64 -0.31 0.00 -0.02 -1.26 -4.81 135.00 131.37 3lug n PRO 458 Ca 0.03 0.94 0.12 0.00 -2.02 0.00 0.00 63.50 62.57 3lug n PRO 458 Cb 0.52 -2.73 0.34 0.00 -0.02 0.00 0.00 33.50 31.61 3lug n PRO 458 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 3lug h GLN 459 N 5.30 0.74 0.00 -0.52 4.15 -1.93 0.01 115.11 122.86 3lug h GLN 459 Ca -0.46 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 58.91 3lug h GLN 459 Cb 1.22 -0.17 -0.00 0.00 0.21 0.00 0.00 27.48 28.75 3lug h GLN 459 CO 0.84 0.49 -0.04 0.07 -1.93 0.00 0.00 178.83 178.25 3lug h ARG 460 N 0.76 0.00 0.00 1.69 0.11 -2.00 -2.47 114.38 112.47 3lug h ARG 460 Ca 0.49 0.00 -0.35 0.00 0.10 0.00 0.00 59.98 60.21 3lug h ARG 460 Cb 0.73 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 31.75 3lug h ARG 460 CO -0.25 0.04 -2.25 1.04 0.10 0.00 0.00 179.97 178.65 3lug n GLN 461 N -3.56 0.68 -3.57 0.08 6.02 -0.16 -4.74 117.38 112.14 3lug n GLN 461 Ca -0.02 0.05 -0.28 0.00 -0.01 0.00 0.00 57.00 56.74 3lug n GLN 461 Cb 0.14 -1.58 -0.11 0.00 1.02 0.00 0.00 30.24 29.71 3lug n GLN 461 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3lug s THR 463 N -0.14 1.97 0.32 0.00 -4.23 -1.08 -4.48 115.64 107.99 3lug s THR 463 Ca 0.27 0.00 0.01 0.00 -1.18 0.00 0.00 61.69 60.79 3lug s THR 463 Cb -0.06 -2.73 0.23 0.00 1.34 0.00 0.00 72.50 71.28 3lug s THR 463 CO -0.14 0.00 1.94 -0.08 -0.54 0.00 0.00 174.62 175.81 3lug h GLU 464 N -1.61 0.86 0.00 3.99 4.81 -1.99 -0.79 114.58 119.84 3lug h GLU 464 Ca -0.50 -0.09 -0.09 0.00 -0.13 0.00 0.00 59.36 58.55 3lug h GLU 464 Cb 1.32 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.52 3lug h GLU 464 CO 0.58 0.63 -0.43 -0.24 -0.73 0.00 0.00 179.01 178.82 3lug h VAL 465 N 0.86 1.30 -0.32 0.32 3.04 -1.99 0.38 116.25 119.85 3lug h VAL 465 Ca 0.22 -1.49 -0.06 0.00 -1.01 0.00 0.00 66.70 64.36 3lug h VAL 465 Cb 0.03 1.81 -0.01 0.00 -2.01 0.00 0.00 31.29 31.11 3lug h VAL 465 CO -0.04 0.42 -0.04 0.45 -1.01 0.00 0.00 177.57 177.36 3lug h HIS 466 N 0.00 0.65 -0.57 3.17 3.86 -1.54 -1.90 115.15 118.83 3lug h HIS 466 Ca -0.00 -0.13 -0.00 0.00 -1.16 0.00 0.00 60.37 59.08 3lug h HIS 466 Cb 0.77 -0.16 -0.03 0.00 1.06 0.00 0.00 27.41 29.05 3lug h HIS 466 CO 0.00 0.74 0.35 -0.07 0.86 0.00 0.00 177.93 179.81 3lug h LEU 467 N 0.37 0.67 -0.64 2.43 3.38 -0.84 -0.71 115.31 119.98 3lug h LEU 467 Ca 0.09 -0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.87 3lug h LEU 467 Cb 0.51 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3lug h LEU 467 CO 0.02 0.51 -0.43 0.11 0.09 0.00 0.00 178.44 178.75 3lug h LYS 468 N 0.76 0.58 -0.21 1.13 1.57 -0.88 -0.19 116.57 119.33 3lug h LYS 468 Ca 0.20 -0.30 -0.10 0.00 -1.87 0.00 0.00 60.65 58.58 3lug h LYS 468 Cb -0.04 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.28 3lug h LYS 468 CO -0.04 0.90 -0.24 1.03 -0.57 0.00 0.00 179.45 180.52 3lug h SER 469 N 0.47 0.57 -0.51 0.86 0.87 -1.23 -1.31 113.55 113.27 3lug h SER 469 Ca 0.04 -0.49 0.05 0.00 -1.23 0.00 0.00 61.79 60.15 3lug h SER 469 Cb 0.94 -0.16 -0.05 0.00 -0.44 0.00 0.00 62.40 62.69 3lug h SER 469 CO 0.08 0.95 0.24 0.15 -0.53 0.00 0.00 176.83 177.72 3lug h PHE 470 N 0.21 0.43 -0.41 2.24 3.57 -1.03 -2.02 116.94 119.93 3lug h PHE 470 Ca 0.03 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.55 3lug h PHE 470 Cb 0.80 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.40 3lug h PHE 470 CO 0.08 0.19 0.26 1.15 -2.23 0.00 0.00 178.31 177.77 3lug h THR 471 N 0.46 1.12 -0.94 4.41 2.02 -0.83 -0.12 112.91 119.03 3lug h THR 471 Ca 0.23 -0.24 0.03 0.00 0.77 0.00 0.00 66.41 67.20 3lug h THR 471 Cb 0.17 0.54 -0.05 0.00 -1.74 0.00 0.00 68.15 67.07 3lug h THR 471 CO -0.18 0.12 0.62 -0.08 0.37 0.00 0.00 175.52 176.36 3lug h GLU 472 N 0.55 1.18 -0.38 6.66 4.57 -0.96 0.34 114.58 126.55 3lug h GLU 472 Ca 0.15 -0.07 -0.13 0.00 -1.18 0.00 0.00 59.36 58.13 3lug h GLU 472 Cb -0.04 -0.27 -0.01 0.00 -0.16 0.00 0.00 28.75 28.28 3lug h GLU 472 CO -0.03 0.78 -0.28 1.96 -1.18 0.00 0.00 179.01 180.26 3lug h GLN 473 N 1.21 0.86 -0.67 1.92 1.08 -0.91 -2.10 115.11 116.51 3lug h GLN 473 Ca 0.37 -0.42 -0.02 0.00 -1.45 0.00 0.00 58.65 57.13 3lug h GLN 473 Cb -0.04 -0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.36 3lug h GLN 473 CO -0.11 1.06 0.34 1.25 -0.95 0.00 0.00 178.83 180.42 3lug h LEU 474 N 0.66 0.85 -0.44 1.46 5.85 -0.51 -2.12 115.31 121.07 3lug h LEU 474 Ca 0.07 -0.11 0.08 0.00 0.84 0.00 0.00 57.88 58.76 3lug h LEU 474 Cb 0.85 -0.22 -0.07 0.00 0.37 0.00 0.00 40.66 41.60 3lug h LEU 474 CO 0.07 0.72 0.04 -0.09 -0.34 0.00 0.00 178.44 178.85 3lug h ARG 475 N 0.92 0.15 0.41 1.25 1.12 -0.15 -1.42 114.38 116.66 3lug h ARG 475 Ca 0.23 -0.01 -0.02 0.00 -1.11 0.00 0.00 59.98 59.07 3lug h ARG 475 Cb 0.08 -0.03 0.00 0.00 -0.01 0.00 0.00 29.97 30.01 3lug h ARG 475 CO -0.03 0.10 -0.20 0.87 -3.11 0.00 0.00 179.97 177.60 3lug h LYS 476 N 0.16 -0.53 -0.60 0.20 1.57 -1.02 -1.81 116.57 114.53 3lug h LYS 476 Ca 0.22 0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 59.00 3lug h LYS 476 Cb 0.30 0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.70 3lug h LYS 476 CO -0.33 -0.24 0.24 0.97 -0.57 0.00 0.00 179.45 179.52 3lug h ILE 477 N -0.81 1.21 -0.58 1.86 2.10 -1.35 -1.01 117.51 118.93 3lug h ILE 477 Ca -0.06 -0.67 -0.11 0.00 1.08 0.00 0.00 64.86 65.11 3lug h ILE 477 Cb 0.54 0.50 -0.02 0.00 -1.09 0.00 0.00 36.82 36.75 3lug h ILE 477 CO 0.09 0.27 -0.05 0.77 -1.08 0.00 0.00 178.15 178.15 3lug h SER 478 N 0.86 1.05 0.24 2.19 4.64 -1.25 -1.34 113.55 119.95 3lug h SER 478 Ca 0.20 -0.32 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 3lug h SER 478 Cb 0.17 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 61.96 3lug h SER 478 CO -0.02 1.13 -0.21 -0.09 -0.87 0.00 0.00 176.83 176.77 3lug h ARG 479 N 0.96 -0.46 -0.77 4.77 2.43 -1.02 0.71 114.38 121.00 3lug h ARG 479 Ca 0.16 0.03 0.12 0.00 -0.81 0.00 0.00 59.98 59.48 3lug h ARG 479 Cb 0.62 0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 30.22 3lug h ARG 479 CO 0.04 -0.30 0.51 -0.44 -1.51 0.00 0.00 179.97 178.26 3lug h ASP 480 N -0.47 0.53 -0.18 -3.80 3.32 -0.87 0.32 116.42 115.26 3lug h ASP 480 Ca -0.01 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3lug h ASP 480 Cb 0.43 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.90 3lug h ASP 480 CO -0.03 0.29 0.00 0.00 -1.72 0.00 0.00 179.24 177.78 3lug n ALA 481 N -2.48 2.51 -1.82 3.45 0.00 -0.53 -4.91 120.51 116.73 3lug n ALA 481 Ca 0.14 -0.47 -0.11 0.00 0.00 0.00 0.00 53.44 53.00 3lug n ALA 481 Cb 0.42 -1.08 -0.02 0.00 0.00 0.00 0.00 19.45 18.77 3lug n ALA 481 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3lug n GLY 482 N 1.04 0.49 2.28 0.00 0.00 0.10 -4.92 105.19 104.19 3lug n GLY 482 Ca 0.14 -0.46 -0.23 0.00 0.00 0.00 0.00 46.02 45.47 3lug n GLY 482 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3lug n MET 483 N -2.34 1.26 -2.04 1.61 0.00 0.20 -4.13 117.12 111.68 3lug n MET 483 Ca -0.12 -3.62 -0.41 0.00 0.00 0.00 0.00 57.70 53.54 3lug n MET 483 Cb 0.50 -1.58 -0.02 0.00 0.00 0.00 0.00 33.22 32.12 3lug n MET 483 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 3lug s PRO 484 N -1.88 4.29 -0.25 3.17 0.04 -1.12 -4.26 135.00 134.98 3lug s PRO 484 Ca 0.38 2.27 -0.05 0.00 0.04 0.00 0.00 61.00 63.65 3lug s PRO 484 Cb 0.22 -3.11 0.00 0.00 0.04 0.00 0.00 34.50 31.65 3lug s PRO 484 CO -0.09 -0.38 0.00 0.42 0.04 0.00 0.00 177.00 176.99 3lug s ILE 485 N -0.14 3.53 0.52 0.56 1.01 -1.26 -0.63 121.20 124.78 3lug s ILE 485 Ca 0.58 -0.64 -0.23 0.00 0.00 0.00 0.00 60.65 60.36 3lug s ILE 485 Cb -0.41 -2.71 -0.06 0.00 0.01 0.00 0.00 42.46 39.29 3lug s ILE 485 CO 0.44 0.27 1.36 0.00 0.00 0.00 0.00 174.94 177.01 3lug s GLN 486 N 1.46 3.31 0.61 2.79 -2.07 -0.39 -4.53 119.66 120.85 3lug s GLN 486 Ca 0.04 2.25 0.37 0.00 -1.82 0.00 0.00 55.36 56.20 3lug s GLN 486 Cb -0.16 -2.37 2.01 0.00 -1.09 0.00 0.00 33.01 31.41 3lug s GLN 486 CO -0.01 -1.06 2.26 0.78 -1.32 0.00 0.00 175.29 175.94 3lug h GLY 487 N 1.71 0.00 -7.66 2.60 0.00 -1.93 -3.40 103.07 94.39 3lug h GLY 487 Ca -0.51 0.00 -0.68 0.00 0.00 0.00 0.00 47.33 46.14 3lug h GLY 487 CO 0.58 0.00 -0.65 1.62 0.00 0.00 0.00 176.54 178.09 3lug s GLN 488 N -4.24 2.15 0.59 4.80 2.00 -1.26 -4.84 119.66 118.86 3lug s GLN 488 Ca -0.04 -1.54 -0.19 0.00 -2.00 0.00 0.00 55.36 51.59 3lug s GLN 488 Cb 0.13 -3.32 -0.04 0.00 0.80 0.00 0.00 33.01 30.59 3lug s GLN 488 CO 0.49 -0.82 1.17 -1.25 -0.50 0.00 0.00 175.29 174.38 3lug s PRO 489 N 1.16 3.06 0.11 1.67 0.04 -1.26 -4.82 135.00 134.97 3lug s PRO 489 Ca 0.01 1.72 0.22 0.00 0.04 0.00 0.00 61.00 62.99 3lug s PRO 489 Cb -0.21 -1.95 0.89 0.00 0.04 0.00 0.00 34.50 33.27 3lug s PRO 489 CO -0.03 -1.11 1.69 0.00 0.04 0.00 0.00 177.00 177.59 3lug s PHE 491 N -3.11 -0.73 -0.25 0.00 5.36 -1.26 -5.06 117.98 112.94 3lug s PHE 491 Ca 0.08 1.63 -0.02 0.00 -0.96 0.00 0.00 56.93 57.67 3lug s PHE 491 Cb 0.12 0.39 0.13 0.00 -0.34 0.00 0.00 43.02 43.32 3lug s PHE 491 CO 0.42 -0.35 0.36 0.00 -1.46 0.00 0.00 175.22 174.19 3lug s LYS 493 N 2.51 0.65 0.12 0.00 1.02 -1.05 -5.01 119.74 117.98 3lug s LYS 493 Ca 0.12 -1.02 -0.12 0.00 0.02 0.00 0.00 55.97 54.97 3lug s LYS 493 Cb -0.15 0.24 -0.06 0.00 -0.52 0.00 0.00 37.83 37.34 3lug s LYS 493 CO -0.18 -0.16 0.48 0.71 -0.92 0.00 0.00 175.35 175.28 3lug s TYR 494 N -3.50 3.59 0.12 3.18 2.02 -1.26 -1.28 117.35 120.22 3lug s TYR 494 Ca 0.03 0.92 -0.03 0.00 -0.37 0.00 0.00 57.07 57.61 3lug s TYR 494 Cb 0.04 -2.26 -0.03 0.00 -0.40 0.00 0.00 41.96 39.31 3lug s TYR 494 CO -0.09 0.47 0.11 0.00 -1.57 0.00 0.00 175.55 174.47 3lug s ALA 495 N -1.45 0.52 -0.05 3.71 0.00 -0.67 -4.91 121.76 118.91 3lug s ALA 495 Ca 0.36 -1.23 -0.00 0.00 0.00 0.00 0.00 51.96 51.08 3lug s ALA 495 Cb -0.14 0.76 0.03 0.00 0.00 0.00 0.00 23.12 23.76 3lug s ALA 495 CO 0.19 -0.51 -0.00 1.14 0.00 0.00 0.00 175.76 176.57 3lug s GLN 496 N -4.00 0.51 0.00 0.00 -2.07 -1.26 -4.16 119.66 108.68 3lug s GLN 496 Ca 0.19 0.08 0.00 0.00 -1.82 0.00 0.00 55.36 53.81 3lug s GLN 496 Cb 0.06 -0.78 0.00 0.00 -1.09 0.00 0.00 33.01 31.21 3lug s GLN 496 CO -0.01 -0.22 0.00 0.41 -1.32 0.00 0.00 175.29 174.15 3lug n GLY 497 N 4.68 1.40 0.36 2.60 0.00 -1.26 -4.35 105.19 108.62 3lug n GLY 497 Ca -0.15 -1.65 0.13 0.00 0.00 0.00 0.00 46.02 44.35 3lug n GLY 497 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lug h ALA 498 N 0.00 2.06 0.00 4.61 0.00 -1.93 -1.48 119.26 122.53 3lug h ALA 498 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3lug h ALA 498 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3lug h ALA 498 CO 0.00 -0.21 0.00 -0.40 0.00 0.00 0.00 179.25 178.64 3lug n ASP 499 N -4.47 0.40 0.07 0.00 3.85 -1.26 -1.77 116.55 113.37 3lug n ASP 499 Ca 0.10 0.61 0.12 0.00 -0.71 0.00 0.00 54.79 54.92 3lug n ASP 499 Cb 0.41 -0.69 0.16 0.00 -1.35 0.00 0.00 41.12 39.65 3lug n ASP 499 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.20 176.47 3lug h SER 500 N 0.00 0.00 0.64 -1.12 0.02 -1.46 -3.40 113.55 108.23 3lug h SER 500 Ca 0.00 -0.20 -0.02 0.00 -0.84 0.00 0.00 61.79 60.73 3lug h SER 500 Cb 0.26 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 3lug h SER 500 CO 0.00 0.10 -0.48 0.58 -1.14 0.00 0.00 176.83 175.89 3lug h VAL 501 N 0.00 0.00 -0.18 2.27 2.07 -1.44 -2.67 116.25 116.29 3lug h VAL 501 Ca 0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 3lug h VAL 501 Cb 0.77 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 3lug h VAL 501 CO 0.00 0.00 0.06 -0.08 0.02 0.00 0.00 177.57 177.57 3lug h GLU 502 N -1.08 0.14 -0.84 1.57 4.81 -1.78 -0.98 114.58 116.43 3lug h GLU 502 Ca -0.08 -0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.22 3lug h GLU 502 Cb 0.90 -0.03 -0.07 0.00 0.63 0.00 0.00 28.75 30.17 3lug h GLU 502 CO 0.03 0.09 0.49 -1.35 -0.73 0.00 0.00 179.01 177.54 3lug h PRO 503 N 0.14 0.82 -0.25 0.92 0.11 -1.81 -0.74 132.00 131.18 3lug h PRO 503 Ca 0.08 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 66.05 3lug h PRO 503 Cb 0.05 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 30.97 3lug h PRO 503 CO -0.09 0.54 -0.20 1.98 -0.21 0.00 0.00 178.00 180.03 3lug h MET 504 N 0.84 0.58 -0.48 1.05 1.85 -1.07 -2.21 114.93 115.49 3lug h MET 504 Ca 0.39 -0.28 -0.08 0.00 -0.61 0.00 0.00 59.70 59.11 3lug h MET 504 Cb 0.31 -0.00 -0.02 0.00 0.43 0.00 0.00 31.60 32.32 3lug h MET 504 CO -0.23 0.87 -0.04 0.74 -0.40 0.00 0.00 176.91 177.85 3lug h PHE 505 N 0.30 0.88 -0.42 1.39 -1.00 -0.93 0.35 116.94 117.51 3lug h PHE 505 Ca 0.05 -0.14 -0.01 0.00 2.81 0.00 0.00 57.97 60.67 3lug h PHE 505 Cb 0.74 -0.23 -0.02 0.00 3.61 0.00 0.00 35.95 40.04 3lug h PHE 505 CO 0.07 0.83 0.22 0.00 -1.61 0.00 0.00 178.31 177.82 3lug h ARG 506 N 0.75 0.60 -0.52 1.51 3.08 -1.12 0.01 114.38 118.69 3lug h ARG 506 Ca 0.14 -0.08 0.03 0.00 0.07 0.00 0.00 59.98 60.14 3lug h ARG 506 Cb 0.52 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.42 3lug h ARG 506 CO 0.03 0.49 0.30 1.25 -1.07 0.00 0.00 179.97 180.98 3lug h HIS 507 N 0.54 0.57 0.10 3.04 2.76 -1.01 -1.11 115.15 120.04 3lug h HIS 507 Ca 0.15 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.33 3lug h HIS 507 Cb 0.08 -0.18 0.00 0.00 1.55 0.00 0.00 27.41 28.86 3lug h HIS 507 CO -0.02 0.32 -0.05 -0.07 -1.30 0.00 0.00 177.93 176.81 3lug h LEU 508 N 0.61 -0.12 -0.78 0.26 3.38 -0.46 -1.22 115.31 116.97 3lug h LEU 508 Ca 0.21 -0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.20 3lug h LEU 508 Cb 0.03 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 40.75 3lug h LEU 508 CO -0.10 -0.05 0.48 0.50 0.09 0.00 0.00 178.44 179.36 3lug h LYS 509 N -0.18 0.86 0.00 1.13 3.64 -0.91 -1.60 116.57 119.51 3lug h LYS 509 Ca -0.01 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.29 3lug h LYS 509 Cb 0.14 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 31.77 3lug h LYS 509 CO 0.02 0.57 -0.10 -0.91 -2.27 0.00 0.00 179.45 176.77 3lug h ASN 510 N 0.88 0.00 0.00 4.20 2.35 -1.00 -3.36 115.58 118.65 3lug h ASN 510 Ca 0.34 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.76 3lug h ASN 510 Cb 0.14 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.45 3lug h ASN 510 CO -0.16 0.10 -2.24 0.41 -1.65 0.00 0.00 177.43 173.88 3lug n THR 511 N -3.17 1.24 -3.72 2.81 -1.04 -0.48 -4.82 114.28 105.10 3lug n THR 511 Ca 0.02 -0.66 -0.37 0.00 -2.04 0.00 0.00 64.05 61.00 3lug n THR 511 Cb 0.45 -0.80 -0.10 0.00 -1.82 0.00 0.00 70.33 68.06 3lug n THR 511 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 3lug s TYR 512 N -2.44 3.46 0.23 -1.42 1.51 -0.65 -5.06 117.35 112.98 3lug s TYR 512 Ca -0.16 -2.59 -0.31 0.00 -1.01 0.00 0.00 57.07 53.00 3lug s TYR 512 Cb 0.06 -3.23 -0.11 0.00 -0.11 0.00 0.00 41.96 38.57 3lug s TYR 512 CO 0.65 -0.88 1.54 0.00 -1.11 0.00 0.00 175.55 175.75 3lug s ALA 513 N 0.29 3.73 0.00 3.71 0.00 -1.26 -2.10 121.76 126.13 3lug s ALA 513 Ca 0.14 1.42 0.00 0.00 0.00 0.00 0.00 51.96 53.53 3lug s ALA 513 Cb -0.21 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.30 3lug s ALA 513 CO -0.04 -0.83 0.00 0.41 0.00 0.00 0.00 175.76 175.31 3lug n GLY 514 N 2.85 0.73 3.69 0.00 0.00 -1.26 -5.02 105.19 106.18 3lug n GLY 514 Ca 0.10 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.60 3lug n GLY 514 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3lug n LEU 515 N 0.00 2.95 -0.08 0.99 0.00 -0.89 -4.54 117.00 115.44 3lug n LEU 515 Ca 0.00 1.02 -0.04 0.00 0.00 0.00 0.00 56.01 56.99 3lug n LEU 515 Cb 0.00 -1.28 -0.16 0.00 0.00 0.00 0.00 43.42 41.98 3lug n LEU 515 CO 0.00 -0.25 -1.05 0.00 0.00 0.00 0.00 177.39 176.09 3lug n GLN 516 N 5.81 0.72 -3.61 1.96 6.02 0.82 -4.98 117.38 124.12 3lug n GLN 516 Ca 0.24 -0.06 -0.15 0.00 -0.01 0.00 0.00 57.00 57.02 3lug n GLN 516 Cb 0.23 -1.51 -0.07 0.00 1.02 0.00 0.00 30.24 29.91 3lug n GLN 516 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 3lug s LEU 517 N -5.21 -0.72 -0.19 1.08 2.96 -1.22 -4.59 118.68 110.78 3lug s LEU 517 Ca -0.09 1.28 -0.01 0.00 -0.22 0.00 0.00 54.13 55.09 3lug s LEU 517 Cb 0.08 2.47 0.01 0.00 0.50 0.00 0.00 46.19 49.24 3lug s LEU 517 CO 0.84 -0.32 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.71 3lug s VAL 518 N 0.05 2.59 -0.29 1.68 1.01 -0.87 -1.47 120.40 123.10 3lug s VAL 518 Ca -0.02 -0.77 -0.18 0.00 0.00 0.00 0.00 61.98 61.01 3lug s VAL 518 Cb -0.04 -2.13 -0.02 0.00 0.00 0.00 0.00 36.38 34.20 3lug s VAL 518 CO 0.03 0.50 0.52 -0.69 0.00 0.00 0.00 175.10 175.46 3lug s VAL 519 N 1.26 5.04 -0.19 2.92 1.01 0.97 -1.00 120.40 130.41 3lug s VAL 519 Ca 0.03 0.70 -0.04 0.00 0.00 0.00 0.00 61.98 62.67 3lug s VAL 519 Cb -0.14 -3.88 -0.02 0.00 0.00 0.00 0.00 36.38 32.34 3lug s VAL 519 CO -0.07 -0.03 -0.04 -0.69 0.00 0.00 0.00 175.10 174.26 3lug s VAL 520 N 2.37 3.62 -0.21 2.92 1.01 0.08 -1.36 120.40 128.82 3lug s VAL 520 Ca 0.21 -0.43 -0.13 0.00 0.00 0.00 0.00 61.98 61.63 3lug s VAL 520 Cb -0.15 -2.62 -0.05 0.00 0.00 0.00 0.00 36.38 33.57 3lug s VAL 520 CO 0.11 0.45 0.27 -0.63 0.00 0.00 0.00 175.10 175.30 3lug s ILE 521 N 0.92 5.30 -0.12 2.22 1.09 -0.59 -0.46 121.20 129.55 3lug s ILE 521 Ca -0.00 0.43 -0.04 0.00 -1.10 0.00 0.00 60.65 59.93 3lug s ILE 521 Cb -0.15 -3.60 -0.04 0.00 -1.06 0.00 0.00 42.46 37.62 3lug s ILE 521 CO 0.01 0.32 0.04 -0.76 -0.10 0.00 0.00 174.94 174.45 3lug s LEU 522 N 1.03 3.77 -1.40 2.97 1.43 -0.19 -0.85 118.68 125.45 3lug s LEU 522 Ca 0.13 0.17 -0.12 0.00 -1.03 0.00 0.00 54.13 53.28 3lug s LEU 522 Cb -0.14 -1.90 0.08 0.00 0.03 0.00 0.00 46.19 44.27 3lug s LEU 522 CO 0.05 0.32 2.13 -0.81 0.23 0.00 0.00 176.35 178.28 3lug n PRO 523 N 2.54 3.21 0.00 1.29 -0.05 -1.26 -0.89 135.00 139.84 3lug n PRO 523 Ca -0.18 -2.94 0.00 0.00 -0.05 0.00 0.00 63.50 60.33 3lug n PRO 523 Cb 0.53 -3.12 0.00 0.00 -0.05 0.00 0.00 33.50 30.86 3lug n PRO 523 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 3lug n GLY 524 N 3.55 0.15 3.49 0.55 0.00 -1.26 -4.61 105.19 107.05 3lug n GLY 524 Ca 0.49 -0.93 -0.43 0.00 0.00 0.00 0.00 46.02 45.15 3lug n GLY 524 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3lug s LYS 525 N 0.00 3.20 0.25 1.61 0.00 -1.26 -4.98 119.74 118.56 3lug s LYS 525 Ca 0.00 -0.61 -0.05 0.00 0.00 0.00 0.00 55.97 55.31 3lug s LYS 525 Cb 0.00 -4.01 -0.02 0.00 0.00 0.00 0.00 37.83 33.80 3lug s LYS 525 CO 0.00 -1.09 0.33 0.95 0.00 0.00 0.00 175.35 175.54 3lug s THR 526 N 2.72 0.00 -1.44 3.79 -4.23 -1.26 -5.03 115.64 110.19 3lug s THR 526 Ca 0.19 -1.71 0.11 0.00 -1.18 0.00 0.00 61.69 59.09 3lug s THR 526 Cb -0.16 -2.42 0.19 0.00 1.34 0.00 0.00 72.50 71.45 3lug s THR 526 CO 0.16 0.00 1.25 -2.65 -0.54 0.00 0.00 174.62 172.83 3lug n PRO 527 N -0.39 0.16 -0.21 3.99 -0.02 -1.26 -3.26 135.00 134.01 3lug n PRO 527 Ca 0.01 0.18 -0.03 0.00 -2.02 0.00 0.00 63.50 61.63 3lug n PRO 527 Cb 0.63 -1.50 0.07 0.00 -0.02 0.00 0.00 33.50 32.68 3lug n PRO 527 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3lug h VAL 528 N 0.00 1.01 -0.37 -1.45 2.07 -1.94 -2.56 116.25 113.01 3lug h VAL 528 Ca 0.00 -0.23 0.05 0.00 0.82 0.00 0.00 66.70 67.35 3lug h VAL 528 Cb 0.10 0.29 -0.05 0.00 -1.52 0.00 0.00 31.29 30.12 3lug h VAL 528 CO 0.00 0.12 0.08 0.22 0.02 0.00 0.00 177.57 178.01 3lug h TYR 529 N 0.66 0.14 -0.74 1.57 3.20 -1.93 0.15 116.97 120.02 3lug h TYR 529 Ca 0.26 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.10 3lug h TYR 529 Cb 0.10 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.33 3lug h TYR 529 CO -0.07 0.03 0.25 0.00 -1.64 0.00 0.00 178.16 176.73 3lug h ALA 530 N 1.27 1.05 -0.33 1.82 0.00 -1.74 -1.78 119.26 119.55 3lug h ALA 530 Ca 0.17 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 3lug h ALA 530 Cb 0.19 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3lug h ALA 530 CO -0.22 0.65 -0.05 1.49 0.00 0.00 0.00 179.25 181.13 3lug h GLU 531 N 1.09 0.61 -0.63 0.00 4.57 -0.99 0.04 114.58 119.28 3lug h GLU 531 Ca 0.24 -0.22 0.11 0.00 -1.18 0.00 0.00 59.36 58.31 3lug h GLU 531 Cb 0.27 -0.04 -0.08 0.00 -0.16 0.00 0.00 28.75 28.74 3lug h GLU 531 CO -0.01 0.77 0.20 0.28 -1.18 0.00 0.00 179.01 179.06 3lug h VAL 532 N 0.40 0.70 -0.31 0.32 2.07 -0.38 0.10 116.25 119.15 3lug h VAL 532 Ca 0.09 -0.12 -0.12 0.00 0.82 0.00 0.00 66.70 67.37 3lug h VAL 532 Cb 0.52 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 3lug h VAL 532 CO 0.03 0.06 -0.27 0.11 0.02 0.00 0.00 177.57 177.52 3lug h LYS 533 N 0.35 0.72 -0.33 1.57 1.79 -1.06 0.87 116.57 120.49 3lug h LYS 533 Ca 0.33 -0.37 0.05 0.00 -2.18 0.00 0.00 60.65 58.48 3lug h LYS 533 Cb 0.45 0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 31.07 3lug h LYS 533 CO -0.36 0.98 0.08 -0.09 -1.08 0.00 0.00 179.45 178.98 3lug h ARG 534 N 0.47 0.19 -0.12 3.15 2.43 -0.40 0.11 114.38 120.22 3lug h ARG 534 Ca 0.05 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.14 3lug h ARG 534 Cb 0.83 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.34 3lug h ARG 534 CO 0.07 0.13 -0.21 0.28 -1.51 0.00 0.00 179.97 178.72 3lug h VAL 535 N 0.20 1.38 0.03 0.20 2.07 -0.75 -1.48 116.25 117.90 3lug h VAL 535 Ca 0.15 -1.47 -0.00 0.00 0.82 0.00 0.00 66.70 66.20 3lug h VAL 535 Cb 0.16 2.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.97 3lug h VAL 535 CO -0.19 0.43 -0.02 1.23 0.02 0.00 0.00 177.57 179.04 3lug h GLY 536 N -0.06 -0.05 1.64 2.17 0.00 -0.74 0.21 103.07 106.25 3lug h GLY 536 Ca 0.01 0.02 -0.27 0.00 0.00 0.00 0.00 47.33 47.09 3lug h GLY 536 CO 0.05 -0.02 -1.21 -0.55 0.00 0.00 0.00 176.54 174.81 3lug h ASP 537 N -0.45 0.41 0.00 0.19 3.32 -0.89 0.32 116.42 119.33 3lug h ASP 537 Ca -0.00 -0.43 -0.21 0.00 0.02 0.00 0.00 57.03 56.40 3lug h ASP 537 Cb 0.41 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.79 3lug h ASP 537 CO 0.01 1.33 -1.79 0.41 -1.72 0.00 0.00 179.24 177.48 3lug n THR 538 N -3.54 0.79 -0.07 0.35 -1.04 -0.62 -4.37 114.28 105.78 3lug n THR 538 Ca -0.08 -0.29 -0.12 0.00 -2.04 0.00 0.00 64.05 61.52 3lug n THR 538 Cb 1.01 -1.08 -0.09 0.00 -1.82 0.00 0.00 70.33 68.34 3lug n THR 538 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 3lug h VAL 539 N -0.07 1.16 0.00 12.58 2.07 -1.10 -3.42 116.25 127.47 3lug h VAL 539 Ca -0.32 -1.97 0.00 0.00 0.82 0.00 0.00 66.70 65.23 3lug h VAL 539 Cb 1.46 2.29 0.00 0.00 -1.52 0.00 0.00 31.29 33.52 3lug h VAL 539 CO -0.07 0.39 -1.54 0.18 0.02 0.00 0.00 177.57 176.55 3lug n LEU 540 N -4.60 0.09 -3.16 2.57 4.77 0.72 -5.02 117.00 112.37 3lug n LEU 540 Ca -0.13 -0.06 -0.16 0.00 -0.03 0.00 0.00 56.01 55.63 3lug n LEU 540 Cb 0.42 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.59 3lug n LEU 540 CO 0.23 0.02 0.12 0.61 -1.33 0.00 0.00 177.39 177.04 3lug n GLY 541 N 1.63 -0.29 3.39 -0.72 0.00 -0.01 -5.02 105.19 104.18 3lug n GLY 541 Ca -0.02 0.06 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 3lug n GLY 541 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3lug s MET 542 N -5.40 3.01 0.16 1.61 1.00 0.92 -5.00 119.30 115.61 3lug s MET 542 Ca 0.11 -0.71 -0.30 0.00 0.00 0.00 0.00 55.69 54.78 3lug s MET 542 Cb -0.05 -2.50 -0.08 0.00 0.00 0.00 0.00 34.83 32.20 3lug s MET 542 CO 0.64 0.36 1.32 0.00 0.00 0.00 0.00 175.02 177.35 3lug s ALA 543 N -0.06 3.53 0.06 3.03 0.00 -1.26 -4.32 121.76 122.74 3lug s ALA 543 Ca -0.03 1.09 0.04 0.00 0.00 0.00 0.00 51.96 53.05 3lug s ALA 543 Cb -0.14 -3.49 -0.03 0.00 0.00 0.00 0.00 23.12 19.46 3lug s ALA 543 CO 0.04 -0.55 -0.11 0.95 0.00 0.00 0.00 175.76 176.09 3lug s THR 544 N 0.49 0.89 -0.09 0.00 -4.23 -1.26 -2.04 115.64 109.39 3lug s THR 544 Ca 0.59 -1.28 -0.02 0.00 -1.18 0.00 0.00 61.69 59.81 3lug s THR 544 Cb -0.36 -0.95 0.03 0.00 1.34 0.00 0.00 72.50 72.56 3lug s THR 544 CO 0.35 -0.33 0.01 -1.58 -0.54 0.00 0.00 174.62 172.53 3lug s GLN 545 N -1.84 0.57 0.28 3.99 2.00 -0.17 -4.93 119.66 119.56 3lug s GLN 545 Ca -0.04 0.05 -0.12 0.00 -2.00 0.00 0.00 55.36 53.25 3lug s GLN 545 Cb -0.09 -1.12 -0.08 0.00 0.80 0.00 0.00 33.01 32.52 3lug s GLN 545 CO 0.01 -0.36 0.64 0.00 -0.50 0.00 0.00 175.29 175.08 3lug s VAL 547 N -1.92 -0.01 0.24 0.00 0.11 0.39 -4.89 120.40 114.32 3lug s VAL 547 Ca 0.50 0.04 -0.30 0.00 -2.93 0.00 0.00 61.98 59.30 3lug s VAL 547 Cb -0.11 -0.13 -0.09 0.00 -1.53 0.00 0.00 36.38 34.52 3lug s VAL 547 CO 0.20 0.02 1.21 -1.10 -3.33 0.00 0.00 175.10 172.10 3lug s GLN 548 N 0.27 4.49 0.32 1.54 -1.52 -1.26 -1.02 119.66 122.48 3lug s GLN 548 Ca -0.02 1.95 0.11 0.00 -1.95 0.00 0.00 55.36 55.45 3lug s GLN 548 Cb -0.03 -3.19 0.96 0.00 -0.22 0.00 0.00 33.01 30.54 3lug s GLN 548 CO -0.01 -0.05 1.68 1.98 -0.25 0.00 0.00 175.29 178.63 3lug h MET 549 N 4.53 0.35 0.00 2.91 1.85 -1.36 0.32 114.93 123.53 3lug h MET 549 Ca -0.46 -0.02 -0.02 0.00 -0.61 0.00 0.00 59.70 58.59 3lug h MET 549 Cb 1.22 -0.08 -0.00 0.00 0.43 0.00 0.00 31.60 33.16 3lug h MET 549 CO 0.71 0.23 -0.08 1.57 -0.40 0.00 0.00 176.91 178.94 3lug h LYS 550 N 0.36 0.00 -0.01 0.39 2.10 -1.91 -0.76 116.57 116.75 3lug h LYS 550 Ca 0.68 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.33 3lug h LYS 550 Cb 1.45 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.78 3lug h LYS 550 CO -0.58 0.08 -0.08 0.09 -2.00 0.00 0.00 179.45 176.96 3lug n ASN 551 N -3.31 0.94 -0.10 7.07 5.03 0.10 -2.10 115.26 122.90 3lug n ASN 551 Ca -0.01 -1.08 -0.11 0.00 0.87 0.00 0.00 54.58 54.25 3lug n ASN 551 Cb 0.28 0.01 -0.13 0.00 -1.02 0.00 0.00 39.78 38.93 3lug n ASN 551 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 3lug n VAL 552 N -0.43 1.24 -0.11 2.41 0.31 -0.58 -3.84 118.33 117.33 3lug n VAL 552 Ca 0.17 -0.65 -0.12 0.00 -0.01 0.00 0.00 64.34 63.73 3lug n VAL 552 Cb 0.30 -0.81 -0.03 0.00 -0.91 0.00 0.00 33.84 32.38 3lug n VAL 552 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 3lug h GLN 553 N 0.00 0.70 -3.49 5.55 4.20 -1.17 -3.40 115.11 117.50 3lug h GLN 553 Ca -0.49 -0.32 -0.56 0.00 0.06 0.00 0.00 58.65 57.35 3lug h GLN 553 Cb 1.97 -0.02 -0.40 0.00 0.30 0.00 0.00 27.48 29.34 3lug h GLN 553 CO -0.01 0.92 -0.76 1.03 -0.67 0.00 0.00 178.83 179.33 3lug s ARG 554 N -4.58 0.67 0.55 1.46 0.52 -0.89 -5.05 118.95 111.62 3lug s ARG 554 Ca -0.13 -0.85 -0.16 0.00 -0.52 0.00 0.00 55.73 54.07 3lug s ARG 554 Cb 0.09 -1.94 -0.06 0.00 0.52 0.00 0.00 34.95 33.56 3lug s ARG 554 CO 0.82 -0.90 1.01 0.95 0.02 0.00 0.00 175.30 177.20 3lug s THR 555 N 1.72 4.29 0.07 0.02 -4.23 -1.25 -4.43 115.64 111.83 3lug s THR 555 Ca 0.07 1.08 0.02 0.00 -1.18 0.00 0.00 61.69 61.67 3lug s THR 555 Cb -0.17 -3.61 -0.03 0.00 1.34 0.00 0.00 72.50 70.02 3lug s THR 555 CO -0.22 -0.65 -0.07 0.42 -0.54 0.00 0.00 174.62 173.57 3lug s THR 556 N -2.60 0.56 0.25 3.99 -4.23 -1.26 -5.06 115.64 107.29 3lug s THR 556 Ca 0.60 -1.54 -0.03 0.00 -1.18 0.00 0.00 61.69 59.54 3lug s THR 556 Cb -0.12 -1.18 0.23 0.00 1.34 0.00 0.00 72.50 72.77 3lug s THR 556 CO 0.34 -0.68 1.73 -0.65 -0.54 0.00 0.00 174.62 174.82 3lug h PRO 557 N 3.66 0.43 -0.55 3.99 0.11 -1.98 -1.35 132.00 136.31 3lug h PRO 557 Ca -0.35 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.73 3lug h PRO 557 Cb 1.18 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 3lug h PRO 557 CO 0.54 0.28 0.32 1.96 -0.21 0.00 0.00 178.00 180.89 3lug h GLN 558 N 0.44 0.75 -0.24 1.05 7.50 -1.98 0.22 115.11 122.85 3lug h GLN 558 Ca 0.43 -0.08 -0.19 0.00 0.50 0.00 0.00 58.65 59.31 3lug h GLN 558 Cb 0.67 -0.15 0.00 0.00 0.05 0.00 0.00 27.48 28.04 3lug h GLN 558 CO -0.42 0.56 -0.60 1.79 -1.50 0.00 0.00 178.83 178.66 3lug h THR 559 N 0.73 1.28 -0.68 -0.54 1.35 -1.88 0.30 112.91 113.48 3lug h THR 559 Ca 0.19 -1.80 0.00 0.00 -0.55 0.00 0.00 66.41 64.25 3lug h THR 559 Cb 0.01 1.74 -0.03 0.00 -1.73 0.00 0.00 68.15 68.13 3lug h THR 559 CO -0.03 0.58 0.44 -0.07 -0.25 0.00 0.00 175.52 176.19 3lug h LEU 560 N 0.60 0.79 -0.00 3.87 3.38 -1.10 -1.08 115.31 121.76 3lug h LEU 560 Ca -0.00 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.95 3lug h LEU 560 Cb 1.21 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 3lug h LEU 560 CO 0.13 0.58 -0.07 -1.28 0.09 0.00 0.00 178.44 177.89 3lug h SER 561 N 0.92 -0.20 -0.53 -0.43 0.87 -0.33 0.09 113.55 113.94 3lug h SER 561 Ca 0.25 0.03 0.11 0.00 -1.23 0.00 0.00 61.79 60.94 3lug h SER 561 Cb -0.09 0.09 -0.10 0.00 -0.44 0.00 0.00 62.40 61.85 3lug h SER 561 CO -0.05 -0.10 -0.13 0.78 -0.53 0.00 0.00 176.83 176.79 3lug h ASN 562 N -0.12 -0.49 -0.27 6.23 2.35 -0.58 -0.91 115.58 121.78 3lug h ASN 562 Ca 0.03 0.16 0.02 0.00 -0.55 0.00 0.00 56.30 55.96 3lug h ASN 562 Cb 0.16 0.33 -0.02 0.00 0.05 0.00 0.00 38.32 38.83 3lug h ASN 562 CO -0.07 -0.17 0.12 0.25 -1.65 0.00 0.00 177.43 175.91 3lug h LEU 563 N -0.00 0.17 -0.96 1.61 5.85 -0.80 -1.40 115.31 119.79 3lug h LEU 563 Ca 0.25 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.99 3lug h LEU 563 Cb 0.38 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.35 3lug h LEU 563 CO -0.54 0.14 0.61 0.00 -0.34 0.00 0.00 178.44 178.30 3lug h LEU 565 N 1.30 0.34 -0.60 0.00 3.38 -0.80 0.69 115.31 119.63 3lug h LEU 565 Ca 0.35 -0.25 0.09 0.00 0.09 0.00 0.00 57.88 58.16 3lug h LEU 565 Cb -0.11 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 40.48 3lug h LEU 565 CO -0.07 0.50 0.21 0.11 0.09 0.00 0.00 178.44 179.28 3lug h LYS 566 N 0.16 0.38 -0.67 1.13 1.57 -1.04 -1.50 116.57 116.60 3lug h LYS 566 Ca 0.07 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 3lug h LYS 566 Cb 0.30 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.50 3lug h LYS 566 CO 0.00 0.25 0.29 0.82 -0.57 0.00 0.00 179.45 180.25 3lug h ILE 567 N 0.39 1.24 -0.53 1.86 2.04 -0.97 -2.62 117.51 118.92 3lug h ILE 567 Ca 0.30 -0.71 0.00 0.00 1.00 0.00 0.00 64.86 65.46 3lug h ILE 567 Cb 0.37 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 3lug h ILE 567 CO -0.31 0.29 0.34 -1.13 0.00 0.00 0.00 178.15 177.34 3lug h ASN 568 N 0.95 0.62 -0.69 1.72 -0.73 0.09 -0.19 115.58 117.35 3lug h ASN 568 Ca 0.23 -0.03 0.06 0.00 1.87 0.00 0.00 56.30 58.43 3lug h ASN 568 Cb 0.17 -0.15 -0.06 0.00 0.27 0.00 0.00 38.32 38.55 3lug h ASN 568 CO -0.02 0.46 0.39 0.58 -0.37 0.00 0.00 177.43 178.47 3lug h VAL 569 N 0.72 0.98 -0.04 2.57 2.07 -1.22 0.21 116.25 121.54 3lug h VAL 569 Ca 0.19 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 3lug h VAL 569 Cb -0.06 0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 29.90 3lug h VAL 569 CO -0.04 0.13 -0.02 0.11 0.02 0.00 0.00 177.57 177.78 3lug h LYS 570 N 0.72 0.08 -0.01 1.57 1.57 -0.89 -3.26 116.57 116.35 3lug h LYS 570 Ca 0.31 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 3lug h LYS 570 Cb 0.18 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 3lug h LYS 570 CO -0.18 0.46 -0.26 1.28 -0.57 0.00 0.00 179.45 180.18 3lug n LEU 571 N -4.84 1.17 -0.79 2.94 4.77 -0.19 -5.12 117.00 114.95 3lug n LEU 571 Ca -0.08 -0.33 0.13 0.00 -0.03 0.00 0.00 56.01 55.70 3lug n LEU 571 Cb 0.23 -0.10 0.25 0.00 -2.33 0.00 0.00 43.42 41.47 3lug n LEU 571 CO 0.34 0.22 0.72 0.61 -1.33 0.00 0.00 177.39 177.95