#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p3i s HIS 439 N 0.00 3.06 -0.26 6.00 2.46 -1.26 -5.10 115.29 120.20 1p3i s HIS 439 Ca 0.00 0.04 -0.05 0.00 0.47 0.00 0.00 55.06 55.53 1p3i s HIS 439 Cb 0.00 -1.62 0.14 0.00 -0.13 0.00 0.00 32.58 30.97 1p3i s HIS 439 CO 0.00 0.47 0.49 0.50 -2.47 0.00 0.00 174.74 173.73 1p3i s ARG 440 N -1.89 0.44 0.52 2.88 3.52 -1.26 -5.15 118.95 118.01 1p3i s ARG 440 Ca 0.23 0.94 -0.20 0.00 -0.13 0.00 0.00 55.73 56.56 1p3i s ARG 440 Cb -0.12 0.22 -0.06 0.00 -1.56 0.00 0.00 34.95 33.43 1p3i s ARG 440 CO 0.14 -0.46 1.14 0.71 -0.81 0.00 0.00 175.30 176.02 1p3i s TYR 441 N 2.70 2.72 0.67 5.12 1.51 -1.26 -5.02 117.35 123.79 1p3i s TYR 441 Ca 0.08 1.54 -0.11 0.00 -1.01 0.00 0.00 57.07 57.57 1p3i s TYR 441 Cb -0.14 -3.31 -0.01 0.00 -0.11 0.00 0.00 41.96 38.39 1p3i s TYR 441 CO -0.17 -1.55 1.06 1.03 -1.11 0.00 0.00 175.55 174.81 1p3i s ARG 442 N -3.14 3.15 0.15 -0.62 0.52 -1.26 -4.96 118.95 112.79 1p3i s ARG 442 Ca 0.70 0.74 -0.33 0.00 -0.52 0.00 0.00 55.73 56.33 1p3i s ARG 442 Cb -0.25 -2.03 -0.13 0.00 0.52 0.00 0.00 34.95 33.06 1p3i s ARG 442 CO 0.29 -0.89 1.68 -2.30 0.02 0.00 0.00 175.30 174.09 1p3i n PRO 443 N -2.96 2.41 0.00 3.54 -0.02 -1.26 -2.12 135.00 134.60 1p3i n PRO 443 Ca 0.07 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.42 1p3i n PRO 443 Cb 0.55 -2.69 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 1p3i n PRO 443 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1p3i n GLY 444 N 3.75 2.65 0.11 -1.23 0.00 -1.26 -4.92 105.19 104.30 1p3i n GLY 444 Ca 0.17 -0.31 -0.10 0.00 0.00 0.00 0.00 46.02 45.78 1p3i n GLY 444 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1p3i h THR 445 N 0.00 1.09 -0.30 2.61 2.02 -1.80 0.13 112.91 116.66 1p3i h THR 445 Ca 0.00 -0.22 -0.16 0.00 0.77 0.00 0.00 66.41 66.80 1p3i h THR 445 Cb 0.00 0.88 -0.00 0.00 -1.74 0.00 0.00 68.15 67.28 1p3i h THR 445 CO 0.00 0.08 -0.46 0.58 0.37 0.00 0.00 175.52 176.09 1p3i h VAL 446 N 0.23 1.28 -0.27 3.16 2.07 -1.92 -1.85 116.25 118.96 1p3i h VAL 446 Ca 0.07 -1.65 0.02 0.00 0.82 0.00 0.00 66.70 65.96 1p3i h VAL 446 Cb 0.03 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 1p3i h VAL 446 CO -0.01 0.54 0.13 0.00 0.02 0.00 0.00 177.57 178.24 1p3i h ALA 447 N 0.84 0.33 -0.51 1.67 0.00 -1.87 0.26 119.26 119.98 1p3i h ALA 447 Ca 0.04 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1p3i h ALA 447 Cb 1.04 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 1p3i h ALA 447 CO 0.10 -0.26 0.32 1.25 0.00 0.00 0.00 179.25 180.66 1p3i h LEU 448 N 0.28 0.59 -0.37 0.00 5.85 -0.64 -0.01 115.31 121.01 1p3i h LEU 448 Ca 0.11 -0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.73 1p3i h LEU 448 Cb 0.04 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 1p3i h LEU 448 CO -0.08 0.45 -0.08 -0.09 -0.34 0.00 0.00 178.44 178.29 1p3i h ARG 449 N 0.69 0.72 -0.69 1.25 2.43 -0.33 -2.24 114.38 116.20 1p3i h ARG 449 Ca 0.18 -0.27 -0.04 0.00 -0.81 0.00 0.00 59.98 59.05 1p3i h ARG 449 Cb -0.05 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.43 1p3i h ARG 449 CO -0.04 0.86 0.29 0.93 -1.51 0.00 0.00 179.97 180.50 1p3i h GLU 450 N 0.52 1.03 -0.74 0.20 5.08 0.69 -1.22 114.58 120.14 1p3i h GLU 450 Ca 0.10 -0.18 0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1p3i h GLU 450 Cb 0.59 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.63 1p3i h GLU 450 CO 0.04 0.84 0.48 0.82 -1.00 0.00 0.00 179.01 180.19 1p3i h ILE 451 N 0.98 1.15 -0.34 3.13 2.04 -0.87 0.12 117.51 123.72 1p3i h ILE 451 Ca 0.23 -0.33 -0.08 0.00 1.00 0.00 0.00 64.86 65.69 1p3i h ILE 451 Cb 0.19 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.36 1p3i h ILE 451 CO -0.02 0.17 -0.12 0.03 0.00 0.00 0.00 178.15 178.21 1p3i h ARG 452 N 0.95 0.60 -0.04 2.37 3.08 -0.89 -1.08 114.38 119.37 1p3i h ARG 452 Ca 0.28 -0.18 -0.03 0.00 0.07 0.00 0.00 59.98 60.13 1p3i h ARG 452 Cb -0.05 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 29.94 1p3i h ARG 452 CO -0.08 0.71 -0.07 -0.09 -1.07 0.00 0.00 179.97 179.36 1p3i h ARG 453 N 0.55 0.12 0.00 0.04 2.43 -0.29 -2.88 114.38 114.34 1p3i h ARG 453 Ca 0.10 -0.08 -0.06 0.00 -0.81 0.00 0.00 59.98 59.13 1p3i h ARG 453 Cb 0.53 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 1p3i h ARG 453 CO 0.03 0.65 -0.30 1.88 -1.51 0.00 0.00 179.97 180.72 1p3i h TYR 454 N -0.39 0.00 0.00 2.20 -1.99 -0.76 -1.83 116.97 114.19 1p3i h TYR 454 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1p3i h TYR 454 Cb 0.64 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.37 1p3i h TYR 454 CO 0.12 0.30 0.00 1.04 -0.00 0.00 0.00 178.16 179.62 1p3i n GLN 455 N -3.36 0.06 -0.01 4.88 6.02 -0.41 -3.14 117.38 121.42 1p3i n GLN 455 Ca 0.01 0.12 -0.10 0.00 -0.01 0.00 0.00 57.00 57.01 1p3i n GLN 455 Cb 0.52 -1.58 -0.14 0.00 1.02 0.00 0.00 30.24 30.06 1p3i n GLN 455 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 1p3i h LYS 456 N 0.00 0.03 -6.55 -1.09 1.57 -1.11 -3.48 116.57 105.94 1p3i h LYS 456 Ca 0.00 -0.06 -0.44 0.00 -1.87 0.00 0.00 60.65 58.28 1p3i h LYS 456 Cb 0.49 0.02 0.03 0.00 0.08 0.00 0.00 32.23 32.85 1p3i h LYS 456 CO 0.00 0.61 -0.18 -1.54 -0.57 0.00 0.00 179.45 177.77 1p3i s SER 457 N -6.25 5.42 0.00 0.86 1.04 -1.01 -5.05 113.70 108.72 1p3i s SER 457 Ca -0.06 -0.51 0.00 0.00 0.48 0.00 0.00 55.95 55.86 1p3i s SER 457 Cb 0.08 -0.37 0.00 0.00 0.10 0.00 0.00 66.02 65.83 1p3i s SER 457 CO 0.82 -1.00 0.05 0.35 0.98 0.00 0.00 173.24 174.44 1p3i n THR 458 N -2.04 0.00 -1.61 2.02 -2.24 -1.26 -4.95 114.28 104.21 1p3i n THR 458 Ca 0.10 -0.45 -0.38 0.00 -2.27 0.00 0.00 64.05 61.05 1p3i n THR 458 Cb 0.60 1.01 0.04 0.00 -2.10 0.00 0.00 70.33 69.88 1p3i n THR 458 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1p3i n GLU 459 N -0.81 0.97 -2.11 -0.78 -0.00 -1.26 -4.92 120.64 111.73 1p3i n GLU 459 Ca 0.00 0.37 -0.40 0.00 -0.00 0.00 0.00 57.16 57.13 1p3i n GLU 459 Cb 0.00 -2.12 -0.02 0.00 -0.00 0.00 0.00 31.44 29.31 1p3i n GLU 459 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1p3i s LEU 460 N -1.56 4.38 -0.00 -1.84 1.43 -1.26 -4.95 118.68 114.89 1p3i s LEU 460 Ca 0.73 2.67 0.22 0.00 -1.03 0.00 0.00 54.13 56.71 1p3i s LEU 460 Cb -0.44 -3.71 -0.15 0.00 0.03 0.00 0.00 46.19 41.92 1p3i s LEU 460 CO 0.50 -0.59 0.94 0.18 0.23 0.00 0.00 176.35 177.60 1p3i n LEU 461 N 0.66 0.89 -4.81 1.79 4.77 -1.26 -4.89 117.00 114.15 1p3i n LEU 461 Ca 0.01 -0.41 -0.34 0.00 -0.03 0.00 0.00 56.01 55.23 1p3i n LEU 461 Cb 0.42 -0.03 -0.07 0.00 -2.33 0.00 0.00 43.42 41.42 1p3i n LEU 461 CO 0.58 0.22 -0.23 -0.63 -1.33 0.00 0.00 177.39 176.01 1p3i s ILE 462 N -3.03 4.94 0.48 -0.08 1.01 -1.26 -5.08 121.20 118.18 1p3i s ILE 462 Ca 0.07 -0.21 -0.22 0.00 0.00 0.00 0.00 60.65 60.29 1p3i s ILE 462 Cb 0.16 -3.22 -0.07 0.00 0.01 0.00 0.00 42.46 39.34 1p3i s ILE 462 CO 0.85 0.44 1.16 -0.13 0.00 0.00 0.00 174.94 177.27 1p3i s ARG 463 N -1.48 3.65 0.05 2.79 3.00 -1.26 -4.97 118.95 120.73 1p3i s ARG 463 Ca 0.20 1.75 -0.25 0.00 0.00 0.00 0.00 55.73 57.43 1p3i s ARG 463 Cb -0.12 -2.31 -0.13 0.00 0.00 0.00 0.00 34.95 32.39 1p3i s ARG 463 CO 0.11 -0.63 1.39 0.87 0.00 0.00 0.00 175.30 177.03 1p3i h LYS 464 N 1.84 -0.78 -0.17 3.54 1.79 -1.98 -2.91 116.57 117.90 1p3i h LYS 464 Ca -0.50 0.05 0.05 0.00 -2.18 0.00 0.00 60.65 58.08 1p3i h LYS 464 Cb 1.25 0.18 -0.07 0.00 -1.58 0.00 0.00 32.23 32.01 1p3i h LYS 464 CO 0.59 -0.52 -0.35 1.25 -1.08 0.00 0.00 179.45 179.34 1p3i h LEU 465 N -0.81 -1.11 -0.61 2.94 5.85 -1.98 0.61 115.31 120.19 1p3i h LEU 465 Ca -0.07 0.16 0.10 0.00 0.84 0.00 0.00 57.88 58.91 1p3i h LEU 465 Cb 0.66 0.47 -0.08 0.00 0.37 0.00 0.00 40.66 42.09 1p3i h LEU 465 CO 0.05 -0.38 0.21 -0.65 -0.34 0.00 0.00 178.44 177.33 1p3i h PRO 466 N -0.41 0.37 0.09 5.25 0.11 -1.98 0.41 132.00 135.84 1p3i h PRO 466 Ca 0.10 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.18 1p3i h PRO 466 Cb 0.57 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.60 1p3i h PRO 466 CO -0.39 0.24 -0.05 0.35 -0.21 0.00 0.00 178.00 177.94 1p3i h PHE 467 N 0.38 -0.12 -0.78 0.65 3.57 -1.08 -1.57 116.94 117.99 1p3i h PHE 467 Ca 0.31 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.94 1p3i h PHE 467 Cb 0.41 0.04 -0.09 0.00 2.79 0.00 0.00 35.95 39.10 1p3i h PHE 467 CO -0.18 0.06 0.37 0.37 -2.23 0.00 0.00 178.31 176.70 1p3i h GLN 468 N -0.27 0.55 -0.89 1.11 4.15 0.11 0.11 115.11 119.98 1p3i h GLN 468 Ca -0.01 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.39 1p3i h GLN 468 Cb 0.23 -0.12 -0.05 0.00 0.21 0.00 0.00 27.48 27.75 1p3i h GLN 468 CO 0.02 0.36 0.59 0.00 -1.93 0.00 0.00 178.83 177.87 1p3i h ARG 469 N 0.56 1.15 -0.36 1.69 3.08 0.11 -2.42 114.38 118.18 1p3i h ARG 469 Ca 0.42 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.38 1p3i h ARG 469 Cb 0.56 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 1p3i h ARG 469 CO -0.35 0.76 0.17 1.25 -1.07 0.00 0.00 179.97 180.73 1p3i h LEU 470 N 1.19 0.48 0.04 3.04 5.85 0.18 -1.50 115.31 124.58 1p3i h LEU 470 Ca 0.33 -0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.94 1p3i h LEU 470 Cb -0.11 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.77 1p3i h LEU 470 CO -0.08 0.48 -0.14 0.58 -0.34 0.00 0.00 178.44 178.94 1p3i h VAL 471 N 0.45 0.65 -0.61 1.05 2.07 -0.98 -2.19 116.25 116.68 1p3i h VAL 471 Ca 0.12 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.63 1p3i h VAL 471 Cb 0.13 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 1p3i h VAL 471 CO -0.01 0.00 0.31 0.03 0.02 0.00 0.00 177.57 177.91 1p3i h ARG 472 N -0.26 0.86 -0.03 1.57 3.08 -1.37 -0.07 114.38 118.16 1p3i h ARG 472 Ca 0.04 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 1p3i h ARG 472 Cb 0.30 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.18 1p3i h ARG 472 CO -0.11 0.65 0.01 1.49 -1.07 0.00 0.00 179.97 180.94 1p3i h GLU 473 N 0.86 0.04 -0.53 0.04 4.81 -0.96 -0.93 114.58 117.90 1p3i h GLU 473 Ca 0.22 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.40 1p3i h GLU 473 Cb 0.06 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 1p3i h GLU 473 CO -0.03 0.10 0.16 0.82 -0.73 0.00 0.00 179.01 179.33 1p3i h ILE 474 N -0.03 1.24 -0.50 2.32 2.04 -1.05 -2.85 117.51 118.67 1p3i h ILE 474 Ca 0.01 -0.81 -0.02 0.00 1.00 0.00 0.00 64.86 65.04 1p3i h ILE 474 Cb 0.07 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 1p3i h ILE 474 CO -0.00 0.30 0.21 0.00 0.00 0.00 0.00 178.15 178.65 1p3i h ALA 475 N 1.02 1.43 -0.31 1.87 0.00 -0.82 -2.14 119.26 120.32 1p3i h ALA 475 Ca 0.17 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.03 1p3i h ALA 475 Cb 0.29 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1p3i h ALA 475 CO -0.00 0.44 0.22 0.37 0.00 0.00 0.00 179.25 180.27 1p3i h GLN 476 N 0.71 0.08 0.00 0.00 5.75 -0.92 0.16 115.11 120.89 1p3i h GLN 476 Ca 0.17 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.67 1p3i h GLN 476 Cb 0.13 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.66 1p3i h GLN 476 CO -0.02 0.05 0.00 -0.44 -2.65 0.00 0.00 178.83 175.77 1p3i h ASP 477 N 0.08 0.00 0.00 -0.69 3.32 -1.41 -3.26 116.42 114.46 1p3i h ASP 477 Ca 0.14 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.84 1p3i h ASP 477 Cb 0.47 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.95 1p3i h ASP 477 CO -0.01 0.00 -2.34 0.49 -1.72 0.00 0.00 179.24 175.66 1p3i n PHE 478 N -2.42 0.00 -3.65 4.55 0.99 0.53 -4.98 117.46 112.48 1p3i n PHE 478 Ca 0.02 0.00 -0.10 0.00 -0.00 0.00 0.00 57.45 57.37 1p3i n PHE 478 Cb 0.26 -0.93 -0.07 0.00 -1.00 0.00 0.00 39.48 37.74 1p3i n PHE 478 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.76 176.97 1p3i s LYS 479 N -2.47 0.72 0.66 -1.08 2.20 -0.89 -5.16 119.74 113.72 1p3i s LYS 479 Ca -0.22 1.08 -0.07 0.00 -0.36 0.00 0.00 55.97 56.40 1p3i s LYS 479 Cb 0.07 0.23 0.03 0.00 -1.51 0.00 0.00 37.83 36.65 1p3i s LYS 479 CO 0.65 -0.13 0.99 0.95 -0.36 0.00 0.00 175.35 177.46 1p3i s THR 480 N 1.11 3.05 -1.39 3.43 -4.23 -1.26 -4.10 115.64 112.26 1p3i s THR 480 Ca -0.06 -0.01 -0.00 0.00 -1.18 0.00 0.00 61.69 60.44 1p3i s THR 480 Cb -0.05 -3.27 -0.00 0.00 1.34 0.00 0.00 72.50 70.51 1p3i s THR 480 CO -0.11 -0.30 0.47 -0.67 -0.54 0.00 0.00 174.62 173.46 1p3i n ASP 481 N -2.82 -0.46 -4.96 3.99 2.03 -1.26 -4.98 116.55 108.08 1p3i n ASP 481 Ca 0.06 -0.97 -0.22 0.00 0.52 0.00 0.00 54.79 54.18 1p3i n ASP 481 Cb 0.59 -3.23 -0.01 0.00 -0.72 0.00 0.00 41.12 37.74 1p3i n ASP 481 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1p3i s LEU 482 N -6.91 4.15 0.24 -2.67 1.43 -1.26 -5.12 118.68 108.54 1p3i s LEU 482 Ca 0.00 0.14 0.08 0.00 -1.03 0.00 0.00 54.13 53.33 1p3i s LEU 482 Cb -0.00 -2.98 -0.05 0.00 0.03 0.00 0.00 46.19 43.19 1p3i s LEU 482 CO 0.87 -0.22 -0.12 -0.13 0.23 0.00 0.00 176.35 176.99 1p3i s ARG 483 N -4.13 1.45 -0.02 1.70 0.52 -1.26 -5.13 118.95 112.08 1p3i s ARG 483 Ca 0.38 -1.68 0.02 0.00 -0.52 0.00 0.00 55.73 53.93 1p3i s ARG 483 Cb -0.09 -1.20 0.00 0.00 0.52 0.00 0.00 34.95 34.18 1p3i s ARG 483 CO 0.32 0.14 -0.08 -0.06 0.02 0.00 0.00 175.30 175.64 1p3i s PHE 484 N -2.94 0.85 0.53 -0.53 0.40 -1.26 -5.12 117.98 109.91 1p3i s PHE 484 Ca 0.26 -0.20 -0.20 0.00 -0.60 0.00 0.00 56.93 56.18 1p3i s PHE 484 Cb 0.01 -0.61 -0.06 0.00 0.51 0.00 0.00 43.02 42.86 1p3i s PHE 484 CO 0.10 -0.09 1.17 -0.65 0.70 0.00 0.00 175.22 176.45 1p3i s GLN 485 N 0.22 3.35 0.39 0.44 -0.21 -1.26 -4.87 119.66 117.72 1p3i s GLN 485 Ca -0.03 1.75 0.12 0.00 0.02 0.00 0.00 55.36 57.22 1p3i s GLN 485 Cb -0.08 -2.11 0.80 0.00 1.00 0.00 0.00 33.01 32.62 1p3i s GLN 485 CO 0.00 -0.88 1.89 0.66 -2.12 0.00 0.00 175.29 174.85 1p3i h SER 486 N 1.37 0.10 0.28 5.90 4.64 -2.01 -1.36 113.55 122.48 1p3i h SER 486 Ca -0.50 -0.03 -0.04 0.00 -0.47 0.00 0.00 61.79 60.76 1p3i h SER 486 Cb 1.27 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 63.33 1p3i h SER 486 CO 0.57 0.34 -0.18 0.77 -0.87 0.00 0.00 176.83 177.46 1p3i h SER 487 N 0.10 0.00 -0.34 4.97 4.64 -1.99 -2.05 113.55 118.87 1p3i h SER 487 Ca 0.02 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.23 1p3i h SER 487 Cb 0.47 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.56 1p3i h SER 487 CO 0.03 0.18 -0.20 0.00 -0.87 0.00 0.00 176.83 175.98 1p3i h ALA 488 N 1.82 0.49 -0.38 5.18 0.00 -1.60 0.22 119.26 124.97 1p3i h ALA 488 Ca -0.00 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.44 1p3i h ALA 488 Cb 0.38 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1p3i h ALA 488 CO 0.02 0.43 -0.19 0.28 0.00 0.00 0.00 179.25 179.80 1p3i h VAL 489 N 0.52 1.26 -0.36 0.00 2.07 -1.40 -1.53 116.25 116.81 1p3i h VAL 489 Ca 0.07 -1.26 -0.05 0.00 0.82 0.00 0.00 66.70 66.28 1p3i h VAL 489 Cb 0.74 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 1p3i h VAL 489 CO 0.06 0.42 0.05 0.24 0.02 0.00 0.00 177.57 178.35 1p3i h MET 490 N 0.65 0.60 -0.37 1.57 2.86 -1.18 -0.33 114.93 118.73 1p3i h MET 490 Ca 0.10 -0.17 0.04 0.00 -2.06 0.00 0.00 59.70 57.61 1p3i h MET 490 Cb 0.67 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.23 1p3i h MET 490 CO 0.05 0.68 0.15 0.00 1.06 0.00 0.00 176.91 178.85 1p3i h ALA 491 N 0.90 0.44 -0.55 6.32 0.00 -0.81 0.11 119.26 125.68 1p3i h ALA 491 Ca 0.11 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1p3i h ALA 491 Cb 0.38 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1p3i h ALA 491 CO 0.01 -0.23 0.29 -0.07 0.00 0.00 0.00 179.25 179.24 1p3i h LEU 492 N 0.32 0.67 -0.09 0.00 3.38 -0.98 -0.68 115.31 117.93 1p3i h LEU 492 Ca 0.16 -0.05 -0.11 0.00 0.09 0.00 0.00 57.88 57.97 1p3i h LEU 492 Cb 0.11 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1p3i h LEU 492 CO -0.14 0.56 -0.36 -0.61 0.09 0.00 0.00 178.44 177.97 1p3i h GLN 493 N 0.76 0.40 -0.29 1.13 4.15 -0.12 -0.48 115.11 120.66 1p3i h GLN 493 Ca 0.19 -0.31 0.04 0.00 0.77 0.00 0.00 58.65 59.35 1p3i h GLN 493 Cb 0.04 0.06 -0.04 0.00 0.21 0.00 0.00 27.48 27.75 1p3i h GLN 493 CO -0.03 0.94 0.04 0.93 -1.93 0.00 0.00 178.83 178.78 1p3i h GLU 494 N -0.05 0.14 -0.06 1.69 4.39 -0.58 -0.84 114.58 119.26 1p3i h GLU 494 Ca -0.02 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 1p3i h GLU 494 Cb 1.00 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.61 1p3i h GLU 494 CO 0.08 0.09 0.03 0.00 -1.16 0.00 0.00 179.01 178.05 1p3i h ALA 495 N 1.23 0.07 -0.95 3.43 0.00 -1.09 -2.33 119.26 119.61 1p3i h ALA 495 Ca 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1p3i h ALA 495 Cb 0.16 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 1p3i h ALA 495 CO -0.20 -0.41 0.61 0.77 0.00 0.00 0.00 179.25 180.03 1p3i h SER 496 N 0.03 1.12 -0.28 0.00 0.02 -0.83 -1.57 113.55 112.04 1p3i h SER 496 Ca 0.02 -0.05 -0.15 0.00 -0.84 0.00 0.00 61.79 60.77 1p3i h SER 496 Cb 0.05 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.30 1p3i h SER 496 CO -0.00 0.83 -0.41 -0.33 -1.14 0.00 0.00 176.83 175.78 1p3i h GLU 497 N 1.30 0.77 -0.96 3.45 5.08 -1.07 -0.38 114.58 122.77 1p3i h GLU 497 Ca 0.35 -0.45 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1p3i h GLU 497 Cb -0.11 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.13 1p3i h GLU 497 CO -0.07 1.08 0.62 0.00 -1.00 0.00 0.00 179.01 179.64 1p3i h ALA 498 N 0.68 1.22 -0.07 3.43 0.00 -1.30 0.96 119.26 124.19 1p3i h ALA 498 Ca 0.03 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1p3i h ALA 498 Cb 1.00 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1p3i h ALA 498 CO 0.09 0.64 0.02 -0.92 0.00 0.00 0.00 179.25 179.09 1p3i h TYR 499 N 1.32 0.10 -0.69 0.00 3.20 -1.04 -1.88 116.97 117.98 1p3i h TYR 499 Ca 0.35 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.14 1p3i h TYR 499 Cb -0.11 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.10 1p3i h TYR 499 CO 0.00 0.24 0.14 -0.07 -1.64 0.00 0.00 178.16 176.84 1p3i h LEU 500 N -0.06 1.07 -0.67 2.82 3.38 -0.44 -1.73 115.31 119.68 1p3i h LEU 500 Ca 0.02 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 1p3i h LEU 500 Cb 0.18 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1p3i h LEU 500 CO -0.00 1.04 0.41 0.58 0.09 0.00 0.00 178.44 180.55 1p3i h VAL 501 N 1.05 1.19 -0.29 1.22 2.07 -0.78 0.13 116.25 120.85 1p3i h VAL 501 Ca 0.21 -0.42 -0.15 0.00 0.82 0.00 0.00 66.70 67.17 1p3i h VAL 501 Cb 0.41 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 1p3i h VAL 501 CO 0.01 0.20 -0.42 0.00 0.02 0.00 0.00 177.57 177.37 1p3i h ALA 502 N 1.21 0.71 -0.49 1.67 0.00 -1.10 -1.21 119.26 120.05 1p3i h ALA 502 Ca 0.24 -0.46 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 1p3i h ALA 502 Cb -0.03 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1p3i h ALA 502 CO -0.05 0.66 0.04 1.25 0.00 0.00 0.00 179.25 181.16 1p3i h LEU 503 N 0.58 0.75 -0.72 0.00 5.85 -1.01 -1.78 115.31 118.97 1p3i h LEU 503 Ca 0.04 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.57 1p3i h LEU 503 Cb 0.97 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.77 1p3i h LEU 503 CO 0.09 0.79 0.33 -0.26 -0.34 0.00 0.00 178.44 179.05 1p3i h PHE 504 N 0.74 1.05 -0.40 1.25 0.05 -0.26 0.25 116.94 119.63 1p3i h PHE 504 Ca 0.15 -0.06 0.04 0.00 3.82 0.00 0.00 57.97 61.92 1p3i h PHE 504 Cb 0.40 -0.32 -0.04 0.00 2.00 0.00 0.00 35.95 37.99 1p3i h PHE 504 CO 0.02 0.79 0.17 0.93 -0.18 0.00 0.00 178.31 180.04 1p3i h GLU 505 N 1.01 0.35 -0.07 1.51 5.08 -0.40 -0.42 114.58 121.64 1p3i h GLU 505 Ca 0.25 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.46 1p3i h GLU 505 Cb 0.14 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1p3i h GLU 505 CO -0.03 0.23 -0.50 -0.44 -1.00 0.00 0.00 179.01 177.27 1p3i h ASP 506 N 0.36 0.21 -0.60 1.42 3.32 -0.99 -2.22 116.42 117.93 1p3i h ASP 506 Ca 0.17 -0.10 -0.08 0.00 0.02 0.00 0.00 57.03 57.04 1p3i h ASP 506 Cb 0.11 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 1p3i h ASP 506 CO -0.14 0.68 0.06 0.74 -1.72 0.00 0.00 179.24 178.86 1p3i h THR 507 N 0.16 1.26 -0.44 0.35 2.02 -0.18 -1.81 112.91 114.27 1p3i h THR 507 Ca 0.01 -1.06 -0.04 0.00 0.77 0.00 0.00 66.41 66.08 1p3i h THR 507 Cb 0.95 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 68.06 1p3i h THR 507 CO 0.08 0.39 0.10 -1.13 0.37 0.00 0.00 175.52 175.33 1p3i h ASN 508 N 0.96 0.67 -0.82 4.18 -1.24 -0.80 -1.55 115.58 116.98 1p3i h ASN 508 Ca 0.19 -0.24 0.01 0.00 0.71 0.00 0.00 56.30 56.96 1p3i h ASN 508 Cb 0.47 -0.18 -0.04 0.00 0.73 0.00 0.00 38.32 39.30 1p3i h ASN 508 CO 0.02 0.74 0.54 -0.07 -1.29 0.00 0.00 177.43 177.36 1p3i h LEU 509 N 0.58 0.95 -0.60 0.34 3.38 -1.14 -0.86 115.31 117.96 1p3i h LEU 509 Ca 0.14 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.95 1p3i h LEU 509 Cb 0.33 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1p3i h LEU 509 CO 0.00 0.69 -0.23 0.00 0.09 0.00 0.00 178.44 179.00 1p3i h ALA 511 N 0.98 0.39 -0.43 0.00 0.00 -0.79 -2.83 119.26 116.58 1p3i h ALA 511 Ca 0.10 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1p3i h ALA 511 Cb 0.78 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1p3i h ALA 511 CO 0.06 0.19 0.14 0.82 0.00 0.00 0.00 179.25 180.46 1p3i h ILE 512 N 0.30 1.18 -0.55 0.00 2.04 -1.06 -0.87 117.51 118.55 1p3i h ILE 512 Ca 0.07 -0.59 0.02 0.00 1.00 0.00 0.00 64.86 65.37 1p3i h ILE 512 Cb 0.52 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 1p3i h ILE 512 CO 0.02 0.22 0.37 -0.74 0.00 0.00 0.00 178.15 178.02 1p3i h HIS 513 N 0.61 0.64 -0.25 1.37 2.76 -0.76 0.20 115.15 119.72 1p3i h HIS 513 Ca 0.15 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.33 1p3i h HIS 513 Cb 0.17 -0.22 0.00 0.00 1.55 0.00 0.00 27.41 28.92 1p3i h HIS 513 CO 0.01 0.39 0.00 0.00 -1.30 0.00 0.00 177.93 177.02 1p3i n ALA 514 N -2.46 2.73 -3.12 5.26 0.00 -0.48 -4.87 120.51 117.57 1p3i n ALA 514 Ca 0.06 -0.61 -0.18 0.00 0.00 0.00 0.00 53.44 52.71 1p3i n ALA 514 Cb 0.11 -1.01 0.05 0.00 0.00 0.00 0.00 19.45 18.59 1p3i n ALA 514 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1p3i n LYS 515 N 0.28 -5.11 -4.65 0.00 5.02 0.70 -5.02 118.16 109.38 1p3i n LYS 515 Ca 0.10 0.68 -0.30 0.00 -2.02 0.00 0.00 58.31 56.77 1p3i n LYS 515 Cb 0.42 -5.16 -0.09 0.00 -0.02 0.00 0.00 35.03 30.18 1p3i n LYS 515 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1p3i s ARG 516 N -5.75 2.10 0.00 1.97 0.52 -0.45 -4.99 118.95 112.34 1p3i s ARG 516 Ca 0.35 -2.24 0.00 0.00 -0.52 0.00 0.00 55.73 53.32 1p3i s ARG 516 Cb -0.16 -1.62 0.00 0.00 0.52 0.00 0.00 34.95 33.70 1p3i s ARG 516 CO 0.44 -0.23 0.57 1.33 0.02 0.00 0.00 175.30 177.43 1p3i n VAL 517 N -1.16 0.27 -4.11 3.52 0.24 -1.26 -3.38 118.33 112.45 1p3i n VAL 517 Ca -0.12 -0.30 -0.33 0.00 -2.04 0.00 0.00 64.34 61.56 1p3i n VAL 517 Cb 0.67 0.99 -0.16 0.00 -1.47 0.00 0.00 33.84 33.86 1p3i n VAL 517 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1p3i s THR 518 N -0.27 2.02 0.36 3.34 2.01 -1.26 -5.02 115.64 116.82 1p3i s THR 518 Ca 0.00 -0.96 -0.26 0.00 0.31 0.00 0.00 61.69 60.78 1p3i s THR 518 Cb 0.00 -1.85 -0.09 0.00 0.01 0.00 0.00 72.50 70.56 1p3i s THR 518 CO 0.00 0.49 1.04 0.27 -0.69 0.00 0.00 174.62 175.73 1p3i s ILE 519 N 1.29 3.77 0.27 1.82 -4.36 -1.26 -4.90 121.20 117.84 1p3i s ILE 519 Ca 0.04 1.47 0.02 0.00 -0.26 0.00 0.00 60.65 61.91 1p3i s ILE 519 Cb -0.14 -3.81 -0.05 0.00 1.25 0.00 0.00 42.46 39.72 1p3i s ILE 519 CO -0.12 0.12 0.12 -0.04 0.24 0.00 0.00 174.94 175.25 1p3i s MET 520 N -2.17 1.47 0.34 0.37 -1.94 -1.26 -5.02 119.30 111.09 1p3i s MET 520 Ca 0.53 -1.81 0.07 0.00 -1.71 0.00 0.00 55.69 52.77 1p3i s MET 520 Cb -0.24 -0.19 0.75 0.00 2.01 0.00 0.00 34.83 37.16 1p3i s MET 520 CO 0.30 -0.35 1.86 -1.35 -0.01 0.00 0.00 175.02 175.47 1p3i h PRO 521 N 2.33 0.75 0.00 2.03 0.11 -2.00 0.99 132.00 136.21 1p3i h PRO 521 Ca -0.37 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.66 1p3i h PRO 521 Cb 1.25 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1p3i h PRO 521 CO 0.57 0.49 -0.17 1.57 -0.21 0.00 0.00 178.00 180.26 1p3i h LYS 522 N 0.77 0.00 -0.14 1.05 2.10 -1.99 -1.49 116.57 116.87 1p3i h LYS 522 Ca 0.46 0.00 -0.23 0.00 -2.00 0.00 0.00 60.65 58.88 1p3i h LYS 522 Cb 0.66 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.00 1p3i h LYS 522 CO -0.22 0.17 -0.81 -0.44 -2.00 0.00 0.00 179.45 176.15 1p3i h ASP 523 N 0.00 0.95 -0.57 7.07 3.32 -1.15 -1.85 116.42 124.18 1p3i h ASP 523 Ca -0.00 -0.63 -0.11 0.00 0.02 0.00 0.00 57.03 56.31 1p3i h ASP 523 Cb 0.33 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 1p3i h ASP 523 CO 0.02 1.44 -0.06 0.40 -1.72 0.00 0.00 179.24 179.32 1p3i h ILE 524 N 0.53 1.27 0.01 0.35 2.04 -1.28 -1.96 117.51 118.47 1p3i h ILE 524 Ca -0.06 -1.21 -0.00 0.00 1.00 0.00 0.00 64.86 64.58 1p3i h ILE 524 Cb 1.44 0.89 0.00 0.00 -0.74 0.00 0.00 36.82 38.41 1p3i h ILE 524 CO 0.17 0.43 -0.01 1.56 0.00 0.00 0.00 178.15 180.30 1p3i h GLN 525 N 0.94 -0.02 -0.34 2.37 4.20 -1.26 -0.45 115.11 120.55 1p3i h GLN 525 Ca 0.16 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.89 1p3i h GLN 525 Cb 0.62 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.38 1p3i h GLN 525 CO 0.04 0.10 0.16 1.25 -0.67 0.00 0.00 178.83 179.72 1p3i h LEU 526 N -0.13 0.23 -0.70 1.46 5.85 -1.27 0.85 115.31 121.59 1p3i h LEU 526 Ca -0.00 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.76 1p3i h LEU 526 Cb 0.13 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 1p3i h LEU 526 CO 0.00 0.17 0.45 0.00 -0.34 0.00 0.00 178.44 178.72 1p3i h ALA 527 N 1.19 0.91 -0.36 1.25 0.00 -1.16 -1.44 119.26 119.65 1p3i h ALA 527 Ca 0.15 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 1p3i h ALA 527 Cb 0.07 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1p3i h ALA 527 CO -0.11 0.24 -0.28 0.00 0.00 0.00 0.00 179.25 179.10 1p3i h ARG 528 N 0.88 0.75 -0.20 0.00 3.08 -0.54 -1.75 114.38 116.61 1p3i h ARG 528 Ca 0.27 -0.33 -0.04 0.00 0.07 0.00 0.00 59.98 59.96 1p3i h ARG 528 Cb -0.02 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 1p3i h ARG 528 CO -0.09 0.94 -0.02 -0.09 -1.07 0.00 0.00 179.97 179.64 1p3i h ARG 529 N 0.64 0.37 -0.08 0.04 2.43 -0.44 -1.63 114.38 115.72 1p3i h ARG 529 Ca 0.08 -0.13 -0.02 0.00 -0.81 0.00 0.00 59.98 59.10 1p3i h ARG 529 Cb 0.80 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.31 1p3i h ARG 529 CO 0.07 0.59 -0.06 0.82 -1.51 0.00 0.00 179.97 179.88 1p3i h ILE 530 N 0.11 1.10 0.00 1.20 2.04 -1.22 0.01 117.51 120.75 1p3i h ILE 530 Ca 0.05 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.51 1p3i h ILE 530 Cb 0.44 1.10 0.00 0.00 -0.74 0.00 0.00 36.82 37.62 1p3i h ILE 530 CO 0.01 0.13 0.00 0.54 0.00 0.00 0.00 178.15 178.83 1p3i n ARG 531 N -4.40 0.00 -0.56 2.37 1.74 -0.66 -4.85 116.66 110.30 1p3i n ARG 531 Ca -0.02 0.20 0.00 0.00 -0.77 0.00 0.00 57.85 57.27 1p3i n ARG 531 Cb 0.18 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.12 1p3i n ARG 531 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1p3i n GLY 532 N 0.26 0.78 0.23 -0.13 0.00 -0.01 -4.89 105.19 101.42 1p3i n GLY 532 Ca 0.04 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.21 1p3i n GLY 532 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1p3i h GLU 533 N 3.83 0.00 -0.25 1.61 5.08 -1.49 -2.77 114.58 120.58 1p3i h GLU 533 Ca 0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 1p3i h GLU 533 Cb 0.00 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 1p3i h GLU 533 CO 0.00 0.00 -0.07 0.54 -1.00 0.00 0.00 179.01 178.48 1p3i n ARG 534 N -2.90 2.12 0.00 2.33 1.74 -1.16 -4.96 116.66 113.83 1p3i n ARG 534 Ca 0.02 -3.00 0.01 0.00 -0.77 0.00 0.00 57.85 54.11 1p3i n ARG 534 Cb 0.38 -1.78 0.04 0.00 -1.02 0.00 0.00 32.46 30.08 1p3i n ARG 534 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11