#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wey s MET 448 N 0.00 2.61 -0.24 -1.40 1.00 -1.26 -5.11 119.30 114.90 2wey s MET 448 Ca 0.00 -1.43 0.02 0.00 0.00 0.00 0.00 55.69 54.28 2wey s MET 448 Cb 0.00 -2.64 0.05 0.00 0.00 0.00 0.00 34.83 32.25 2wey s MET 448 CO 0.00 -0.43 -0.12 -1.12 0.00 0.00 0.00 175.02 173.34 2wey s SER 449 N -4.40 4.14 0.11 3.03 0.01 -1.26 -5.11 113.70 110.22 2wey s SER 449 Ca 0.55 -1.23 -0.29 0.00 1.31 0.00 0.00 55.95 56.28 2wey s SER 449 Cb -0.07 -1.51 -0.06 0.00 0.21 0.00 0.00 66.02 64.59 2wey s SER 449 CO 0.33 -0.16 0.93 -0.63 0.41 0.00 0.00 173.24 174.12 2wey s ILE 450 N 1.16 4.52 0.50 1.44 1.01 -1.26 -4.75 121.20 123.82 2wey s ILE 450 Ca -0.06 2.00 -0.22 0.00 0.00 0.00 0.00 60.65 62.37 2wey s ILE 450 Cb -0.19 -4.29 -0.06 0.00 0.01 0.00 0.00 42.46 37.93 2wey s ILE 450 CO -0.07 0.33 1.21 0.00 0.00 0.00 0.00 174.94 176.42 2wey s THR 452 N -1.52 2.95 -0.60 0.00 -4.23 -1.26 -4.92 115.64 106.07 2wey s THR 452 Ca 0.68 0.47 0.16 0.00 -1.18 0.00 0.00 61.69 61.82 2wey s THR 452 Cb -0.31 -3.02 0.16 0.00 1.34 0.00 0.00 72.50 70.68 2wey s THR 452 CO 0.37 -0.25 1.50 -1.54 -0.54 0.00 0.00 174.62 174.16 2wey n SER 453 N -2.35 0.37 0.02 3.99 3.41 -1.26 -2.02 113.62 115.79 2wey n SER 453 Ca 0.11 0.63 0.00 0.00 -0.26 0.00 0.00 58.87 59.36 2wey n SER 453 Cb 0.51 -0.69 -0.09 0.00 -0.26 0.00 0.00 64.21 63.68 2wey n SER 453 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2wey n GLU 454 N -1.95 0.63 -0.03 4.33 4.71 -1.26 -4.23 120.64 122.83 2wey n GLU 454 Ca 0.01 0.18 -0.13 0.00 -0.01 0.00 0.00 57.16 57.21 2wey n GLU 454 Cb 0.11 -1.77 -0.08 0.00 -1.01 0.00 0.00 31.44 28.69 2wey n GLU 454 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 2wey h GLU 455 N 0.00 0.19 0.00 3.49 5.08 -1.78 -3.10 114.58 118.46 2wey h GLU 455 Ca -0.18 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.06 2wey h GLU 455 Cb 1.58 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.82 2wey h GLU 455 CO 0.04 0.55 -0.17 0.11 -1.00 0.00 0.00 179.01 178.54 2wey h TRP 456 N -0.18 0.00 -0.46 4.33 5.08 -1.79 -3.17 115.95 119.75 2wey h TRP 456 Ca 0.02 0.00 -0.08 0.00 1.08 0.00 0.00 58.89 59.91 2wey h TRP 456 Cb 0.50 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.64 2wey h TRP 456 CO 0.07 0.17 -0.02 1.96 -1.28 0.00 0.00 178.44 179.34 2wey h GLN 457 N 0.00 0.83 -0.71 0.12 4.20 -1.73 -3.10 115.11 114.72 2wey h GLN 457 Ca -0.00 -0.27 -0.01 0.00 0.06 0.00 0.00 58.65 58.42 2wey h GLN 457 Cb 0.86 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.53 2wey h GLN 457 CO 0.02 0.89 0.40 0.78 -0.67 0.00 0.00 178.83 180.26 2wey h GLY 458 N 0.68 1.05 1.74 3.46 0.00 -1.51 -2.76 103.07 105.73 2wey h GLY 458 Ca 0.13 -0.45 -0.04 0.00 0.00 0.00 0.00 47.33 46.96 2wey h GLY 458 CO 0.03 0.44 -0.07 -2.00 0.00 0.00 0.00 176.54 174.93 2wey h LEU 459 N 0.99 0.30 -1.05 3.11 5.85 -1.57 -2.31 115.31 120.62 2wey h LEU 459 Ca 0.25 -0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.83 2wey h LEU 459 Cb 0.01 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 2wey h LEU 459 CO -0.04 0.41 -0.42 0.24 -0.34 0.00 0.00 178.44 178.29 2wey h MET 460 N 0.31 0.00 -0.00 1.25 2.86 -1.44 -2.84 114.93 115.06 2wey h MET 460 Ca 0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 2wey h MET 460 Cb 0.32 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.98 2wey h MET 460 CO 0.01 0.42 -0.05 1.04 1.06 0.00 0.00 176.91 179.39 2wey n GLN 461 N -3.76 0.67 -2.31 1.72 6.02 -0.88 -4.92 117.38 113.91 2wey n GLN 461 Ca -0.01 -0.14 -0.41 0.00 -0.01 0.00 0.00 57.00 56.43 2wey n GLN 461 Cb 0.49 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 30.22 2wey n GLN 461 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 2wey s PHE 462 N -2.42 3.35 -0.09 1.08 5.36 -1.07 -5.05 117.98 119.13 2wey s PHE 462 Ca 0.32 1.42 0.01 0.00 -0.96 0.00 0.00 56.93 57.72 2wey s PHE 462 Cb 0.20 -3.49 0.02 0.00 -0.34 0.00 0.00 43.02 39.42 2wey s PHE 462 CO 0.45 -1.35 -0.10 0.99 -1.46 0.00 0.00 175.22 173.75 2wey s THR 463 N -0.40 1.10 0.04 0.12 2.01 -1.26 -5.09 115.64 112.15 2wey s THR 463 Ca 0.51 -0.39 -0.30 0.00 0.31 0.00 0.00 61.69 61.82 2wey s THR 463 Cb -0.35 -1.06 -0.05 0.00 0.01 0.00 0.00 72.50 71.06 2wey s THR 463 CO 0.40 0.37 1.13 -0.22 -0.69 0.00 0.00 174.62 175.61 2wey s LEU 464 N 1.21 4.36 0.31 4.42 2.96 -1.26 -5.01 118.68 125.67 2wey s LEU 464 Ca -0.04 1.89 -0.29 0.00 -0.22 0.00 0.00 54.13 55.47 2wey s LEU 464 Cb -0.14 -3.57 -0.11 0.00 0.50 0.00 0.00 46.19 42.87 2wey s LEU 464 CO -0.03 -0.41 1.44 -2.84 -1.32 0.00 0.00 176.35 173.19 2wey s PRO 465 N 1.11 4.23 0.25 0.98 0.02 -1.26 -4.93 135.00 135.41 2wey s PRO 465 Ca 0.56 2.39 -0.03 0.00 0.02 0.00 0.00 61.00 63.95 2wey s PRO 465 Cb -0.27 -3.05 0.51 0.00 0.02 0.00 0.00 34.50 31.72 2wey s PRO 465 CO 0.28 -0.42 1.72 0.28 -0.33 0.00 0.00 177.00 178.53 2wey h VAL 466 N 3.23 0.60 -0.87 3.83 2.07 -2.02 -2.01 116.25 121.08 2wey h VAL 466 Ca -0.48 -0.14 0.14 0.00 0.82 0.00 0.00 66.70 67.04 2wey h VAL 466 Cb 1.23 0.15 -0.07 0.00 -1.52 0.00 0.00 31.29 31.08 2wey h VAL 466 CO 0.71 0.07 0.57 0.08 0.02 0.00 0.00 177.57 179.02 2wey h ARG 467 N 0.41 0.63 -0.32 1.57 0.11 -2.03 -2.27 114.38 112.48 2wey h ARG 467 Ca 0.44 -0.04 -0.17 0.00 0.10 0.00 0.00 59.98 60.31 2wey h ARG 467 Cb 0.72 -0.14 -0.00 0.00 1.11 0.00 0.00 29.97 31.66 2wey h ARG 467 CO -0.45 0.42 -0.47 -0.07 0.10 0.00 0.00 179.97 179.50 2wey h LEU 468 N 0.65 0.97 -0.93 0.08 3.38 -1.75 -3.24 115.31 114.49 2wey h LEU 468 Ca 0.44 -0.51 0.16 0.00 0.09 0.00 0.00 57.88 58.06 2wey h LEU 468 Cb 0.74 -0.28 -0.10 0.00 0.09 0.00 0.00 40.66 41.11 2wey h LEU 468 CO -0.19 1.29 0.52 0.00 0.09 0.00 0.00 178.44 180.15 2wey h LYS 470 N 0.72 0.28 -0.02 0.00 3.64 -1.64 -3.33 116.57 116.22 2wey h LYS 470 Ca 0.51 -0.37 -0.17 0.00 -1.27 0.00 0.00 60.65 59.36 2wey h LYS 470 Cb 0.73 0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.66 2wey h LYS 470 CO -0.36 1.11 -0.74 0.93 -2.27 0.00 0.00 179.45 178.12 2wey h GLU 471 N 0.12 0.14 -0.66 1.90 4.39 -1.15 -3.20 114.58 116.12 2wey h GLU 471 Ca -0.09 -0.12 0.09 0.00 0.34 0.00 0.00 59.36 59.58 2wey h GLU 471 Cb 1.73 0.03 -0.07 0.00 -0.10 0.00 0.00 28.75 30.34 2wey h GLU 471 CO 0.17 0.81 0.30 0.82 -1.16 0.00 0.00 179.01 179.95 2wey h ILE 472 N 0.09 0.82 0.00 3.13 2.04 -0.77 -2.44 117.51 120.38 2wey h ILE 472 Ca -0.02 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.66 2wey h ILE 472 Cb 1.30 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.65 2wey h ILE 472 CO 0.11 0.09 0.42 -0.33 0.00 0.00 0.00 178.15 178.44 2wey h GLU 473 N 0.51 0.00 -6.73 2.37 4.39 -1.69 -3.43 114.58 110.01 2wey h GLU 473 Ca 0.32 0.00 -0.49 0.00 0.34 0.00 0.00 59.36 59.53 2wey h GLU 473 Cb 0.36 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.98 2wey h GLU 473 CO -0.28 0.00 0.15 -0.51 -1.16 0.00 0.00 179.01 177.21 2wey s LEU 474 N -5.30 4.15 0.01 1.33 1.43 -0.92 -4.89 118.68 114.49 2wey s LEU 474 Ca -0.02 1.41 -0.22 0.00 -1.03 0.00 0.00 54.13 54.27 2wey s LEU 474 Cb 0.06 -3.98 -0.12 0.00 0.03 0.00 0.00 46.19 42.19 2wey s LEU 474 CO 0.20 -0.14 1.06 -0.26 0.23 0.00 0.00 176.35 177.44 2wey h PHE 475 N 2.64 -0.73 0.00 0.29 -1.00 -1.88 -3.13 116.94 113.12 2wey h PHE 475 Ca -0.48 -0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.28 2wey h PHE 475 Cb 1.18 0.24 0.00 0.00 3.61 0.00 0.00 35.95 40.98 2wey h PHE 475 CO 0.62 -0.46 0.00 -2.39 -1.61 0.00 0.00 178.31 174.48 2wey n HIS 476 N -4.71 0.00 -1.80 -0.55 1.44 -1.26 -4.78 115.22 103.56 2wey n HIS 476 Ca -0.10 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.20 2wey n HIS 476 Cb 0.31 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.41 2wey n HIS 476 CO 0.00 0.00 0.00 0.12 -2.81 0.00 0.00 176.34 173.65 2wey s PHE 477 N -1.82 2.76 -0.16 -1.40 5.36 -1.19 -4.69 117.98 116.84 2wey s PHE 477 Ca 0.00 0.85 -0.01 0.00 -0.96 0.00 0.00 56.93 56.81 2wey s PHE 477 Cb 0.00 -4.04 -0.00 0.00 -0.34 0.00 0.00 43.02 38.63 2wey s PHE 477 CO 0.00 -3.43 -0.13 0.34 -1.46 0.00 0.00 175.22 170.54 2wey s ASP 478 N 0.40 3.86 0.13 6.13 3.68 -1.26 -5.01 116.67 124.59 2wey s ASP 478 Ca 0.62 -0.43 0.27 0.00 2.13 0.00 0.00 52.55 55.14 2wey s ASP 478 Cb -0.47 -1.61 0.91 0.00 -1.45 0.00 0.00 42.92 40.30 2wey s ASP 478 CO 0.49 0.08 1.78 2.30 0.13 0.00 0.00 175.17 179.95 2wey n ILE 479 N 4.12 0.36 -0.26 4.11 -5.35 -1.26 -4.45 119.36 116.63 2wey n ILE 479 Ca -0.19 -0.18 0.07 0.00 -0.27 0.00 0.00 62.75 62.18 2wey n ILE 479 Cb 0.52 -0.49 0.20 0.00 -1.74 0.00 0.00 39.64 38.12 2wey n ILE 479 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 2wey h GLY 480 N 4.70 1.04 1.73 3.28 0.00 -1.97 -2.05 103.07 109.79 2wey h GLY 480 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.34 2wey h GLY 480 CO 0.00 -0.26 0.00 -1.05 0.00 0.00 0.00 176.54 175.23 2wey n PRO 481 N -5.23 0.07 -2.56 4.80 -0.02 -1.26 -3.84 135.00 126.95 2wey n PRO 481 Ca 0.15 0.27 -0.23 0.00 -2.02 0.00 0.00 63.50 61.68 2wey n PRO 481 Cb 0.51 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.49 2wey n PRO 481 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2wey n PHE 482 N -1.36 2.90 -0.07 6.00 3.01 -0.77 -4.95 117.46 122.22 2wey n PHE 482 Ca 0.03 -3.12 -0.07 0.00 1.01 0.00 0.00 57.45 55.30 2wey n PHE 482 Cb 0.07 -0.18 -0.01 0.00 -0.01 0.00 0.00 39.48 39.35 2wey n PHE 482 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 2wey h GLU 483 N 2.71 -0.06 0.00 -1.08 4.81 -1.76 -1.12 114.58 118.07 2wey h GLU 483 Ca 0.20 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 2wey h GLU 483 Cb 0.95 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.35 2wey h GLU 483 CO 0.76 -0.04 0.00 0.27 -0.73 0.00 0.00 179.01 179.27 2wey n ASN 484 N -5.29 0.49 0.01 1.04 0.23 -1.26 -2.45 115.26 108.03 2wey n ASN 484 Ca -0.00 0.59 0.12 0.00 -0.53 0.00 0.00 54.58 54.76 2wey n ASN 484 Cb 0.20 -0.70 0.31 0.00 -2.08 0.00 0.00 39.78 37.51 2wey n ASN 484 CO 0.00 0.00 0.00 0.23 -0.93 0.00 0.00 177.26 176.56 2wey n MET 485 N -2.00 0.04 -0.13 -3.83 2.81 -0.46 -4.50 117.12 109.05 2wey n MET 485 Ca 0.04 0.01 -0.06 0.00 -1.81 0.00 0.00 57.70 55.88 2wey n MET 485 Cb 0.28 -1.53 0.00 0.00 -0.71 0.00 0.00 33.22 31.27 2wey n MET 485 CO 0.00 0.00 0.00 -1.49 1.51 0.00 0.00 175.97 175.99 2wey h TRP 486 N 0.00 -0.74 -0.33 2.03 6.55 -1.12 -1.60 115.95 120.74 2wey h TRP 486 Ca 0.00 0.05 0.04 0.00 0.95 0.00 0.00 58.89 59.94 2wey h TRP 486 Cb 0.53 0.39 -0.04 0.00 -0.86 0.00 0.00 29.16 29.18 2wey h TRP 486 CO 0.00 -0.35 0.09 -1.35 -1.05 0.00 0.00 178.44 175.78 2wey h PRO 487 N -0.19 0.21 0.00 0.49 0.11 -1.83 0.41 132.00 131.20 2wey h PRO 487 Ca 0.19 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.29 2wey h PRO 487 Cb 0.50 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.57 2wey h PRO 487 CO -0.54 0.14 0.00 0.78 -0.21 0.00 0.00 178.00 178.17 2wey h GLY 488 N 0.22 0.00 1.20 -0.55 0.00 -1.79 -2.22 103.07 99.92 2wey h GLY 488 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.20 2wey h GLY 488 CO -0.17 0.00 -1.10 -2.22 0.00 0.00 0.00 176.54 173.05 2wey h ILE 489 N 0.00 1.28 0.91 2.60 2.04 0.07 -2.34 117.51 122.08 2wey h ILE 489 Ca 0.00 -2.31 -0.04 0.00 1.00 0.00 0.00 64.86 63.51 2wey h ILE 489 Cb 0.21 2.49 0.01 0.00 -0.74 0.00 0.00 36.82 38.79 2wey h ILE 489 CO 0.00 0.71 -0.44 0.15 0.00 0.00 0.00 178.15 178.57 2wey h PHE 490 N 0.34 -1.14 -0.94 1.37 3.57 -0.93 -2.03 116.94 117.19 2wey h PHE 490 Ca -0.15 -0.03 0.28 0.00 3.53 0.00 0.00 57.97 61.60 2wey h PHE 490 Cb 1.76 0.38 -0.16 0.00 2.79 0.00 0.00 35.95 40.71 2wey h PHE 490 CO 0.11 -0.71 0.22 0.28 -2.23 0.00 0.00 178.31 175.99 2wey h VAL 491 N -1.33 0.17 -0.64 1.41 2.07 -1.51 0.42 116.25 116.84 2wey h VAL 491 Ca -0.13 -0.04 -0.04 0.00 0.82 0.00 0.00 66.70 67.32 2wey h VAL 491 Cb 0.94 0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 2wey h VAL 491 CO 0.21 0.02 0.25 0.22 0.02 0.00 0.00 177.57 178.29 2wey h TYR 492 N 0.12 0.97 -0.12 1.57 3.20 -1.32 -2.09 116.97 119.30 2wey h TYR 492 Ca 0.62 -0.08 -0.08 0.00 3.14 0.00 0.00 58.73 62.33 2wey h TYR 492 Cb 1.34 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 39.31 2wey h TYR 492 CO -0.29 0.77 -0.31 0.52 -1.64 0.00 0.00 178.16 177.21 2wey h MET 493 N 0.90 0.22 0.57 1.82 2.86 0.51 -2.08 114.93 119.73 2wey h MET 493 Ca 0.21 -0.08 -0.03 0.00 -2.06 0.00 0.00 59.70 57.74 2wey h MET 493 Cb 0.21 -0.01 0.01 0.00 0.06 0.00 0.00 31.60 31.87 2wey h MET 493 CO -0.02 0.52 -0.27 0.28 1.06 0.00 0.00 176.91 178.48 2wey h VAL 494 N 0.20 0.00 -0.84 -2.22 2.07 -0.89 -2.63 116.25 111.93 2wey h VAL 494 Ca 0.03 -0.21 0.21 0.00 0.82 0.00 0.00 66.70 67.55 2wey h VAL 494 Cb 0.65 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.29 2wey h VAL 494 CO 0.05 0.00 0.18 0.45 0.02 0.00 0.00 177.57 178.27 2wey h HIS 495 N -0.98 0.26 0.00 1.57 -0.00 -1.32 0.61 115.15 115.29 2wey h HIS 495 Ca -0.08 0.05 -0.03 0.00 -0.00 0.00 0.00 60.37 60.31 2wey h HIS 495 Cb 0.58 0.02 -0.00 0.00 -0.00 0.00 0.00 27.41 28.01 2wey h HIS 495 CO 0.04 -0.20 -0.13 0.00 -0.00 0.00 0.00 177.93 177.64 2wey h ARG 496 N 0.20 0.00 0.00 2.45 2.47 -1.44 -0.19 114.38 117.87 2wey h ARG 496 Ca 0.51 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 59.20 2wey h ARG 496 Cb 0.97 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.29 2wey h ARG 496 CO -0.64 0.13 -1.77 0.45 0.56 0.00 0.00 179.97 178.70 2wey n SER 497 N -3.32 1.25 0.00 7.04 2.88 0.11 -4.72 113.62 116.86 2wey n SER 497 Ca -0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2wey n SER 497 Cb 0.36 1.69 0.00 0.00 -0.75 0.00 0.00 64.21 65.50 2wey n SER 497 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wey n GLY 499 N 1.24 2.97 0.00 0.00 0.00 -0.08 -4.34 105.19 104.98 2wey n GLY 499 Ca 0.00 -1.60 0.05 0.00 0.00 0.00 0.00 46.02 44.47 2wey n GLY 499 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wey n THR 500 N 0.61 0.00 -1.52 2.61 -2.24 -1.22 -2.29 114.28 110.22 2wey n THR 500 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2wey n THR 500 Cb 0.00 -0.61 0.00 0.00 -2.10 0.00 0.00 70.33 67.62 2wey n THR 500 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2wey n SER 501 N -0.83 0.00 -0.02 3.42 2.88 -1.26 -4.86 113.62 112.95 2wey n SER 501 Ca 0.07 -1.50 -0.13 0.00 -1.33 0.00 0.00 58.87 55.98 2wey n SER 501 Cb 0.03 -0.10 -0.10 0.00 -0.75 0.00 0.00 64.21 63.30 2wey n SER 501 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wey s PHE 503 N -4.19 3.10 0.11 0.00 0.08 -1.26 -5.05 117.98 110.76 2wey s PHE 503 Ca -0.16 0.05 -0.32 0.00 0.12 0.00 0.00 56.93 56.62 2wey s PHE 503 Cb 0.02 -1.61 -0.11 0.00 -0.57 0.00 0.00 43.02 40.75 2wey s PHE 503 CO 0.69 0.50 1.80 0.39 -0.10 0.00 0.00 175.22 178.50 2wey n GLU 504 N 0.72 2.63 -0.02 0.44 1.02 -1.26 -4.89 120.64 119.28 2wey n GLU 504 Ca -0.11 0.96 -0.04 0.00 -0.02 0.00 0.00 57.16 57.95 2wey n GLU 504 Cb 0.52 -2.83 0.18 0.00 -0.02 0.00 0.00 31.44 29.29 2wey n GLU 504 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2wey h LEU 505 N 8.20 0.58 -1.52 -4.62 5.85 -1.97 -2.29 115.31 119.53 2wey h LEU 505 Ca -0.46 -0.18 -0.05 0.00 0.84 0.00 0.00 57.88 58.02 2wey h LEU 505 Cb 1.23 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 2wey h LEU 505 CO 0.94 0.78 -0.25 -0.08 -0.34 0.00 0.00 178.44 179.49 2wey h GLU 506 N 0.52 0.00 0.17 1.25 4.81 -1.98 -2.79 114.58 116.55 2wey h GLU 506 Ca 0.08 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 59.00 2wey h GLU 506 Cb 0.63 0.00 0.03 0.00 0.63 0.00 0.00 28.75 30.04 2wey h GLU 506 CO 0.04 0.25 -1.33 0.87 -0.73 0.00 0.00 179.01 178.11 2wey h LYS 507 N 0.00 0.57 -0.60 1.92 1.57 -1.69 -3.15 116.57 115.20 2wey h LYS 507 Ca -0.00 -0.84 -0.03 0.00 -1.87 0.00 0.00 60.65 57.90 2wey h LYS 507 Cb 0.49 0.29 -0.03 0.00 0.08 0.00 0.00 32.23 33.06 2wey h LYS 507 CO 0.03 1.39 0.26 1.25 -0.57 0.00 0.00 179.45 181.81 2wey h LEU 508 N 0.22 0.79 -0.40 2.94 5.85 -1.28 -2.01 115.31 121.41 2wey h LEU 508 Ca -0.21 -0.09 -0.18 0.00 0.84 0.00 0.00 57.88 58.24 2wey h LEU 508 Cb 2.01 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 42.84 2wey h LEU 508 CO 0.25 0.70 -0.59 0.00 -0.34 0.00 0.00 178.44 178.45 2wey h ARG 510 N 0.50 1.04 0.64 0.00 3.08 -1.49 -2.72 114.38 115.44 2wey h ARG 510 Ca -0.00 -0.35 -0.03 0.00 0.07 0.00 0.00 59.98 59.67 2wey h ARG 510 Cb 1.17 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.14 2wey h ARG 510 CO 0.12 1.05 -0.33 0.35 -1.07 0.00 0.00 179.97 180.08 2wey h PHE 511 N 0.94 -0.86 -0.48 3.04 3.57 -1.13 -2.02 116.94 120.00 2wey h PHE 511 Ca 0.16 -0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.73 2wey h PHE 511 Cb 0.61 0.29 -0.07 0.00 2.79 0.00 0.00 35.95 39.56 2wey h PHE 511 CO 0.04 -0.52 0.05 0.82 -2.23 0.00 0.00 178.31 176.47 2wey h ILE 512 N -0.89 0.68 0.00 1.41 2.04 -0.72 0.53 117.51 120.56 2wey h ILE 512 Ca -0.09 -0.06 -0.09 0.00 1.00 0.00 0.00 64.86 65.62 2wey h ILE 512 Cb 0.69 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 2wey h ILE 512 CO 0.13 0.03 -0.44 0.24 0.00 0.00 0.00 178.15 178.12 2wey h MET 513 N 0.17 0.00 0.00 2.37 2.86 -1.56 -0.74 114.93 118.04 2wey h MET 513 Ca 0.24 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.84 2wey h MET 513 Cb 0.34 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 2wey h MET 513 CO -0.36 0.44 -0.20 0.77 1.06 0.00 0.00 176.91 178.61 2wey h SER 514 N 0.00 0.00 -0.02 1.22 0.02 -0.52 -2.33 113.55 111.92 2wey h SER 514 Ca -0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.91 2wey h SER 514 Cb 0.87 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.41 2wey h SER 514 CO 0.06 0.20 -0.12 0.58 -1.14 0.00 0.00 176.83 176.41 2wey h VAL 515 N 0.00 1.51 -0.67 2.27 2.07 0.44 -3.16 116.25 118.71 2wey h VAL 515 Ca -0.00 -1.67 0.07 0.00 0.82 0.00 0.00 66.70 65.92 2wey h VAL 515 Cb 0.88 2.56 -0.06 0.00 -1.52 0.00 0.00 31.29 33.14 2wey h VAL 515 CO 0.03 0.45 0.35 0.50 0.02 0.00 0.00 177.57 178.92 2wey h LYS 516 N -0.50 0.61 0.00 1.57 3.64 -1.21 -1.98 116.57 118.70 2wey h LYS 516 Ca -0.01 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2wey h LYS 516 Cb 0.80 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 2wey h LYS 516 CO 0.03 0.41 0.00 1.17 -2.27 0.00 0.00 179.45 178.78 2wey n LYS 517 N -4.83 0.77 0.00 1.90 4.81 -0.88 -2.59 118.16 117.34 2wey n LYS 517 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.53 2wey n LYS 517 Cb 0.22 -1.46 0.00 0.00 0.02 0.00 0.00 35.03 33.81 2wey n LYS 517 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2wey n ASN 518 N -0.96 0.99 -4.78 3.14 3.02 -0.77 -4.70 115.26 111.21 2wey n ASN 518 Ca 0.17 -1.11 -0.39 0.00 -0.03 0.00 0.00 54.58 53.22 2wey n ASN 518 Cb 0.08 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.19 2wey n ASN 518 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2wey s TYR 519 N -0.11 3.77 0.89 3.10 1.51 -1.06 -2.50 117.35 122.94 2wey s TYR 519 Ca 0.00 1.34 -0.13 0.00 -1.01 0.00 0.00 57.07 57.27 2wey s TYR 519 Cb 0.00 -2.64 0.13 0.00 -0.11 0.00 0.00 41.96 39.34 2wey s TYR 519 CO 0.00 0.43 1.18 1.03 -1.11 0.00 0.00 175.55 177.08 2wey s ARG 520 N -0.58 1.32 -1.04 -0.62 0.52 -1.26 -4.84 118.95 112.44 2wey s ARG 520 Ca 0.33 0.10 -0.04 0.00 -0.52 0.00 0.00 55.73 55.60 2wey s ARG 520 Cb -0.20 -1.88 0.19 0.00 0.52 0.00 0.00 34.95 33.59 2wey s ARG 520 CO 0.20 -2.04 2.26 0.54 0.02 0.00 0.00 175.30 176.28 2wey n ARG 521 N -3.62 4.29 -3.30 3.54 5.12 -1.26 -4.52 116.66 116.91 2wey n ARG 521 Ca 0.09 -3.62 -0.26 0.00 -1.93 0.00 0.00 57.85 52.12 2wey n ARG 521 Cb 0.60 -2.47 -0.02 0.00 -1.16 0.00 0.00 32.46 29.42 2wey n ARG 521 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 2wey s VAL 522 N -2.65 5.06 0.22 1.55 -7.23 -1.26 -5.02 120.40 111.07 2wey s VAL 522 Ca 0.50 -0.21 -0.14 0.00 -1.81 0.00 0.00 61.98 60.32 2wey s VAL 522 Cb 0.25 -3.81 0.26 0.00 0.56 0.00 0.00 36.38 33.64 2wey s VAL 522 CO -0.16 -0.50 1.60 -0.65 -0.31 0.00 0.00 175.10 175.09 2wey h PRO 523 N 1.06 -0.03 0.00 4.82 0.11 -1.94 -3.42 132.00 132.60 2wey h PRO 523 Ca -0.49 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 2wey h PRO 523 Cb 1.21 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 2wey h PRO 523 CO 0.63 -0.02 -0.19 0.98 -0.21 0.00 0.00 178.00 179.19 2wey n TYR 524 N -5.48 0.00 -1.74 0.65 9.36 -1.26 -4.84 117.16 113.85 2wey n TYR 524 Ca 0.09 0.00 -0.38 0.00 3.32 0.00 0.00 57.90 60.93 2wey n TYR 524 Cb 0.37 -0.03 -0.05 0.00 -0.63 0.00 0.00 39.34 39.01 2wey n TYR 524 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 2wey n HIS 525 N -3.49 2.73 -4.26 2.98 8.25 -1.26 -4.39 115.22 115.78 2wey n HIS 525 Ca -0.01 -1.94 -0.16 0.00 -0.26 0.00 0.00 57.72 55.36 2wey n HIS 525 Cb 0.09 -2.26 -0.09 0.00 1.12 0.00 0.00 29.99 28.85 2wey n HIS 525 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2wey s ASN 526 N 5.26 0.88 0.36 0.41 2.20 -1.26 -4.60 114.94 118.18 2wey s ASN 526 Ca 0.60 -1.52 0.25 0.00 -0.94 0.00 0.00 52.86 51.25 2wey s ASN 526 Cb 0.07 0.41 1.23 0.00 -2.00 0.00 0.00 41.25 40.96 2wey s ASN 526 CO 0.10 -0.90 1.32 1.87 -2.94 0.00 0.00 177.10 176.55 2wey n TRP 527 N -0.43 0.70 -0.11 1.54 -0.00 -1.26 0.23 117.44 118.11 2wey n TRP 527 Ca 0.03 0.71 -0.10 0.00 -0.00 0.00 0.00 57.50 58.14 2wey n TRP 527 Cb 0.65 -1.13 0.04 0.00 -0.00 0.00 0.00 31.31 30.88 2wey n TRP 527 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 177.69 177.47 2wey h LYS 528 N 0.00 0.86 -0.59 5.87 3.64 -1.96 -2.73 116.57 121.66 2wey h LYS 528 Ca 0.74 -0.38 -0.05 0.00 -1.27 0.00 0.00 60.65 59.69 2wey h LYS 528 Cb 2.26 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 34.03 2wey h LYS 528 CO -0.46 1.02 0.17 1.25 -2.27 0.00 0.00 179.45 179.16 2wey h HIS 529 N 0.73 0.92 0.13 1.91 2.76 -0.42 -1.69 115.15 119.49 2wey h HIS 529 Ca 0.09 -0.08 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 2wey h HIS 529 Cb 0.81 -0.27 -0.01 0.00 1.55 0.00 0.00 27.41 29.49 2wey h HIS 529 CO 0.05 0.75 -0.13 0.00 -1.30 0.00 0.00 177.93 177.30 2wey h ALA 530 N 1.32 -0.25 -0.09 5.26 0.00 -1.15 -0.14 119.26 124.22 2wey h ALA 530 Ca 0.19 -0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.86 2wey h ALA 530 Cb 0.27 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2wey h ALA 530 CO -0.01 -0.66 -0.81 0.28 0.00 0.00 0.00 179.25 178.06 2wey h VAL 531 N -0.28 1.33 0.04 0.00 2.07 -1.43 -0.61 116.25 117.38 2wey h VAL 531 Ca 0.00 -2.13 0.01 0.00 0.82 0.00 0.00 66.70 65.40 2wey h VAL 531 Cb 0.27 2.13 -0.01 0.00 -1.52 0.00 0.00 31.29 32.16 2wey h VAL 531 CO -0.03 0.65 -0.07 0.74 0.02 0.00 0.00 177.57 178.88 2wey h THR 532 N 0.38 0.82 -0.58 2.57 2.02 -1.23 -0.10 112.91 116.80 2wey h THR 532 Ca -0.06 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.07 2wey h THR 532 Cb 1.42 0.82 -0.03 0.00 -1.74 0.00 0.00 68.15 68.63 2wey h THR 532 CO 0.15 0.00 0.14 0.58 0.37 0.00 0.00 175.52 176.76 2wey h VAL 533 N -0.15 1.23 -0.27 3.16 2.07 -0.97 -2.83 116.25 118.50 2wey h VAL 533 Ca 0.02 -0.85 -0.07 0.00 0.82 0.00 0.00 66.70 66.61 2wey h VAL 533 Cb 0.16 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 2wey h VAL 533 CO -0.05 0.32 -0.13 0.00 0.02 0.00 0.00 177.57 177.73 2wey h ALA 534 N 1.29 1.27 -0.11 1.67 0.00 -0.73 -3.01 119.26 119.64 2wey h ALA 534 Ca 0.19 -0.27 -0.19 0.00 0.00 0.00 0.00 54.91 54.63 2wey h ALA 534 Cb 0.31 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2wey h ALA 534 CO -0.00 0.48 -0.73 1.25 0.00 0.00 0.00 179.25 180.25 2wey h HIS 535 N 0.43 0.70 -0.30 0.00 6.17 -0.84 -2.15 115.15 119.15 2wey h HIS 535 Ca 0.08 -0.31 -0.04 0.00 0.71 0.00 0.00 60.37 60.81 2wey h HIS 535 Cb 0.49 -0.11 -0.02 0.00 2.52 0.00 0.00 27.41 30.30 2wey h HIS 535 CO 0.01 1.08 0.00 0.00 0.71 0.00 0.00 177.93 179.74 2wey h MET 537 N 0.44 -0.71 -0.88 0.00 -1.53 -1.39 -0.21 114.93 110.65 2wey h MET 537 Ca 0.10 0.05 0.17 0.00 -3.44 0.00 0.00 59.70 56.57 2wey h MET 537 Cb 0.28 0.16 -0.07 0.00 -0.55 0.00 0.00 31.60 31.43 2wey h MET 537 CO 0.01 -0.42 0.57 -0.92 0.14 0.00 0.00 176.91 176.29 2wey h TYR 538 N -0.90 0.68 -0.49 1.39 3.20 -1.14 0.33 116.97 120.04 2wey h TYR 538 Ca -0.08 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.69 2wey h TYR 538 Cb 0.63 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.67 2wey h TYR 538 CO -0.01 0.22 -0.18 0.00 -1.64 0.00 0.00 178.16 176.56 2wey h ALA 539 N 1.61 0.69 -0.22 1.82 0.00 -0.58 -1.48 119.26 121.10 2wey h ALA 539 Ca 0.45 -0.38 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 2wey h ALA 539 Cb 0.91 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 2wey h ALA 539 CO -0.19 0.65 -0.31 0.82 0.00 0.00 0.00 179.25 180.22 2wey h ILE 540 N 0.85 1.32 -0.10 0.00 2.04 0.92 -3.16 117.51 119.39 2wey h ILE 540 Ca 0.12 -1.51 0.04 0.00 1.00 0.00 0.00 64.86 64.51 2wey h ILE 540 Cb 0.75 1.78 -0.05 0.00 -0.74 0.00 0.00 36.82 38.56 2wey h ILE 540 CO 0.06 0.47 -0.17 -0.07 0.00 0.00 0.00 178.15 178.44 2wey h LEU 541 N 0.29 -0.52 -1.26 1.44 3.38 -0.46 -2.33 115.31 115.86 2wey h LEU 541 Ca 0.02 0.09 0.06 0.00 0.09 0.00 0.00 57.88 58.14 2wey h LEU 541 Cb 0.89 0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.83 2wey h LEU 541 CO 0.07 -0.22 0.53 1.56 0.09 0.00 0.00 178.44 180.47 2wey h GLN 542 N -0.23 0.88 -0.00 1.13 1.08 -1.30 0.53 115.11 117.21 2wey h GLN 542 Ca 0.09 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 2wey h GLN 542 Cb 0.35 -0.20 0.00 0.00 -0.05 0.00 0.00 27.48 27.58 2wey h GLN 542 CO -0.23 0.58 -0.07 0.09 -0.95 0.00 0.00 178.83 178.25 2wey n ASN 543 N -4.48 0.27 -1.17 1.46 3.02 -1.13 -3.83 115.26 109.39 2wey n ASN 543 Ca 0.12 -0.39 0.04 0.00 -0.03 0.00 0.00 54.58 54.32 2wey n ASN 543 Cb 0.20 -0.15 0.05 0.00 -0.61 0.00 0.00 39.78 39.26 2wey n ASN 543 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2wey n ASN 544 N -1.11 1.02 -0.20 6.41 3.02 0.39 -4.86 115.26 119.94 2wey n ASN 544 Ca 0.14 -2.34 -0.06 0.00 -0.03 0.00 0.00 54.58 52.30 2wey n ASN 544 Cb 0.26 -0.33 0.00 0.00 -0.61 0.00 0.00 39.78 39.11 2wey n ASN 544 CO 0.00 0.00 0.00 -0.74 -2.62 0.00 0.00 177.26 173.90 2wey h HIS 545 N 0.83 -0.94 0.00 3.10 2.76 -0.18 -2.31 115.15 118.41 2wey h HIS 545 Ca -0.15 0.07 -0.06 0.00 -2.20 0.00 0.00 60.37 58.02 2wey h HIS 545 Cb 1.66 0.50 -0.01 0.00 1.55 0.00 0.00 27.41 31.11 2wey h HIS 545 CO 0.25 -0.38 -0.31 1.79 -1.30 0.00 0.00 177.93 177.98 2wey h THR 546 N -0.17 0.71 0.00 6.26 1.35 -1.93 -2.79 112.91 116.33 2wey h THR 546 Ca 0.22 -1.37 0.00 0.00 -0.55 0.00 0.00 66.41 64.72 2wey h THR 546 Cb 0.55 1.88 0.00 0.00 -1.73 0.00 0.00 68.15 68.85 2wey h THR 546 CO -0.67 0.30 0.00 -0.11 -0.25 0.00 0.00 175.52 174.79 2wey n LEU 547 N -3.44 0.32 -4.27 3.87 7.94 -0.87 -4.66 117.00 115.90 2wey n LEU 547 Ca 0.00 0.59 -0.24 0.00 -1.11 0.00 0.00 56.01 55.26 2wey n LEU 547 Cb 0.49 -0.57 -0.13 0.00 0.53 0.00 0.00 43.42 43.74 2wey n LEU 547 CO 0.35 -0.48 -0.51 -0.36 -1.11 0.00 0.00 177.39 175.28 2wey s PHE 548 N -3.19 1.74 0.40 1.96 0.40 -1.05 -5.12 117.98 113.11 2wey s PHE 548 Ca 0.04 -0.42 -0.07 0.00 -0.60 0.00 0.00 56.93 55.88 2wey s PHE 548 Cb 0.08 -0.96 -0.05 0.00 0.51 0.00 0.00 43.02 42.60 2wey s PHE 548 CO 0.27 0.18 0.71 0.95 0.70 0.00 0.00 175.22 178.03 2wey s THR 549 N -1.14 4.90 0.38 0.64 -4.23 -1.26 -4.87 115.64 110.05 2wey s THR 549 Ca 0.06 0.30 0.19 0.00 -1.18 0.00 0.00 61.69 61.05 2wey s THR 549 Cb -0.10 -3.78 0.38 0.00 1.34 0.00 0.00 72.50 70.34 2wey s THR 549 CO 0.04 -0.57 1.69 0.44 -0.54 0.00 0.00 174.62 175.68 2wey h ASP 550 N 1.03 0.45 0.04 3.99 5.19 -1.95 -0.62 116.42 124.55 2wey h ASP 550 Ca -0.47 0.14 -0.00 0.00 -0.62 0.00 0.00 57.03 56.08 2wey h ASP 550 Cb 1.19 0.09 0.00 0.00 0.18 0.00 0.00 39.33 40.80 2wey h ASP 550 CO 0.64 -0.06 -0.02 0.25 -3.12 0.00 0.00 179.24 176.92 2wey h LEU 551 N 0.31 -0.04 -0.08 1.55 5.85 -2.00 -2.61 115.31 118.29 2wey h LEU 551 Ca 0.71 -0.56 0.04 0.00 0.84 0.00 0.00 57.88 58.91 2wey h LEU 551 Cb 1.80 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 42.78 2wey h LEU 551 CO -0.47 0.56 -0.44 -0.33 -0.34 0.00 0.00 178.44 177.43 2wey h GLU 552 N -0.68 -0.52 -0.88 1.25 5.08 -1.60 -1.17 114.58 116.06 2wey h GLU 552 Ca -0.01 0.04 0.11 0.00 -1.00 0.00 0.00 59.36 58.50 2wey h GLU 552 Cb 0.60 0.12 -0.08 0.00 0.50 0.00 0.00 28.75 29.89 2wey h GLU 552 CO 0.01 -0.34 0.51 0.00 -1.00 0.00 0.00 179.01 178.19 2wey h ARG 553 N -0.54 0.81 -0.22 2.33 3.08 -1.24 0.27 114.38 118.87 2wey h ARG 553 Ca 0.06 -0.05 0.03 0.00 0.07 0.00 0.00 59.98 60.09 2wey h ARG 553 Cb 0.65 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.48 2wey h ARG 553 CO -0.38 0.54 0.02 0.87 -1.07 0.00 0.00 179.97 179.95 2wey h LYS 554 N 0.83 0.09 -0.41 0.04 1.57 -1.04 -2.81 116.57 114.85 2wey h LYS 554 Ca 0.43 -0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 59.08 2wey h LYS 554 Cb 0.43 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 2wey h LYS 554 CO -0.26 0.06 -0.24 0.78 -0.57 0.00 0.00 179.45 179.22 2wey h GLY 555 N 0.09 0.90 1.48 3.86 0.00 0.20 -2.87 103.07 106.74 2wey h GLY 555 Ca 0.10 -0.79 -0.12 0.00 0.00 0.00 0.00 47.33 46.52 2wey h GLY 555 CO -0.15 0.72 -0.31 1.41 0.00 0.00 0.00 176.54 178.20 2wey h LEU 556 N 0.72 0.61 -0.37 3.11 3.38 -0.50 0.16 115.31 122.41 2wey h LEU 556 Ca 0.09 -0.24 -0.19 0.00 0.09 0.00 0.00 57.88 57.64 2wey h LEU 556 Cb 0.77 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 2wey h LEU 556 CO 0.06 0.88 -0.69 -0.07 0.09 0.00 0.00 178.44 178.72 2wey h LEU 557 N 0.50 0.64 -0.76 1.67 3.38 -1.48 -1.91 115.31 117.35 2wey h LEU 557 Ca 0.06 -0.40 -0.13 0.00 0.09 0.00 0.00 57.88 57.50 2wey h LEU 557 Cb 0.79 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 2wey h LEU 557 CO 0.06 1.15 -0.60 0.40 0.09 0.00 0.00 178.44 179.54 2wey h ILE 558 N 0.39 1.42 0.18 1.22 1.08 -1.37 -2.79 117.51 117.64 2wey h ILE 558 Ca -0.02 -2.04 -0.01 0.00 -0.39 0.00 0.00 64.86 62.40 2wey h ILE 558 Cb 1.27 2.08 0.00 0.00 -3.07 0.00 0.00 36.82 37.11 2wey h ILE 558 CO 0.13 0.59 -0.09 0.00 -0.69 0.00 0.00 178.15 178.09 2wey h ALA 559 N 1.35 -0.24 0.74 1.87 0.00 -0.52 -1.83 119.26 120.63 2wey h ALA 559 Ca -0.01 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 2wey h ALA 559 Cb 1.08 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2wey h ALA 559 CO 0.08 -0.52 -0.42 0.00 0.00 0.00 0.00 179.25 178.39 2wey h LEU 561 N -1.08 0.28 0.00 0.00 5.85 -1.57 -0.97 115.31 117.82 2wey h LEU 561 Ca -0.10 0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.85 2wey h LEU 561 Cb 0.86 0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.12 2wey h LEU 561 CO 0.12 -0.28 -1.09 0.00 -0.34 0.00 0.00 178.44 176.85 2wey h HIS 563 N 0.00 0.00 -0.10 0.00 2.07 0.41 0.36 115.15 117.89 2wey h HIS 563 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2wey h HIS 563 Cb 0.76 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.74 2wey h HIS 563 CO 0.00 0.00 0.00 -3.47 -3.07 0.00 0.00 177.93 171.39 2wey n ASP 564 N -3.39 2.56 -4.63 3.10 2.03 -1.26 -4.85 116.55 110.11 2wey n ASP 564 Ca 0.06 -2.52 -0.52 0.00 0.52 0.00 0.00 54.79 52.33 2wey n ASP 564 Cb 0.64 -0.26 -0.06 0.00 -0.72 0.00 0.00 41.12 40.72 2wey n ASP 564 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2wey n LEU 565 N -0.65 2.10 -3.63 -2.67 4.77 0.11 -2.78 117.00 114.25 2wey n LEU 565 Ca 0.10 1.10 -0.26 0.00 -0.03 0.00 0.00 56.01 56.92 2wey n LEU 565 Cb 0.51 -1.22 0.04 0.00 -2.33 0.00 0.00 43.42 40.42 2wey n LEU 565 CO 0.04 -0.76 -0.06 -0.67 -1.33 0.00 0.00 177.39 174.61 2wey n ASP 566 N 3.50 -4.24 -4.87 -1.43 2.03 -1.04 -4.44 116.55 106.06 2wey n ASP 566 Ca 0.20 -0.92 -0.31 0.00 0.52 0.00 0.00 54.79 54.29 2wey n ASP 566 Cb 0.20 -3.85 -0.04 0.00 -0.72 0.00 0.00 41.12 36.71 2wey n ASP 566 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 2wey s HIS 567 N -3.53 3.44 -0.80 -0.67 5.65 -1.12 -4.96 115.29 113.30 2wey s HIS 567 Ca 0.33 1.08 0.11 0.00 0.25 0.00 0.00 55.06 56.83 2wey s HIS 567 Cb -0.10 -2.45 0.30 0.00 -1.18 0.00 0.00 32.58 29.15 2wey s HIS 567 CO 0.83 -0.02 1.25 0.54 -0.65 0.00 0.00 174.74 176.69 2wey n ARG 568 N -0.94 2.88 -1.75 2.88 3.00 -1.26 -4.46 116.66 117.01 2wey n ARG 568 Ca 0.03 -2.08 -0.13 0.00 -0.01 0.00 0.00 57.85 55.65 2wey n ARG 568 Cb 0.54 -1.30 -0.04 0.00 0.00 0.00 0.00 32.46 31.66 2wey n ARG 568 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2wey n GLY 569 N 0.36 0.75 3.14 -0.13 0.00 -1.26 -5.01 105.19 103.05 2wey n GLY 569 Ca 0.12 -0.36 -0.29 0.00 0.00 0.00 0.00 46.02 45.48 2wey n GLY 569 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wey s PHE 570 N -2.57 2.16 0.73 1.61 0.40 -1.26 -4.77 117.98 114.28 2wey s PHE 570 Ca 0.00 -0.88 -0.11 0.00 -0.60 0.00 0.00 56.93 55.33 2wey s PHE 570 Cb 0.00 -1.48 0.03 0.00 0.51 0.00 0.00 43.02 42.08 2wey s PHE 570 CO 0.00 -0.38 1.10 -1.54 0.70 0.00 0.00 175.22 175.10 2wey s SER 571 N 0.51 5.18 0.12 1.36 1.04 -1.26 -4.93 113.70 115.71 2wey s SER 571 Ca -0.16 1.17 -0.23 0.00 0.48 0.00 0.00 55.95 57.21 2wey s SER 571 Cb -0.17 -1.95 -0.05 0.00 0.10 0.00 0.00 66.02 63.95 2wey s SER 571 CO 0.06 -1.52 1.68 0.78 0.98 0.00 0.00 173.24 175.22 2wey h ASN 572 N -0.78 -0.40 -0.70 7.02 2.35 -2.00 -2.67 115.58 118.41 2wey h ASN 572 Ca -0.45 0.07 0.11 0.00 -0.55 0.00 0.00 56.30 55.48 2wey h ASN 572 Cb 1.26 0.18 -0.12 0.00 0.05 0.00 0.00 38.32 39.70 2wey h ASN 572 CO 0.63 -0.18 -0.25 -1.20 -1.65 0.00 0.00 177.43 174.77 2wey n SER 573 N -5.27 -0.42 -0.04 5.81 7.64 -1.26 -0.66 113.62 119.42 2wey n SER 573 Ca -0.04 1.21 -0.11 0.00 1.01 0.00 0.00 58.87 60.94 2wey n SER 573 Cb 0.19 -0.29 -0.06 0.00 -1.01 0.00 0.00 64.21 63.04 2wey n SER 573 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 2wey h TYR 574 N 0.00 0.23 -0.16 1.43 3.20 -1.87 -0.80 116.97 119.00 2wey h TYR 574 Ca 0.26 -0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.97 2wey h TYR 574 Cb 0.43 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.63 2wey h TYR 574 CO -0.60 0.37 -0.45 -0.07 -1.64 0.00 0.00 178.16 175.77 2wey h LEU 575 N 0.02 0.42 0.07 2.82 3.38 -0.61 -1.73 115.31 119.68 2wey h LEU 575 Ca 0.04 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 2wey h LEU 575 Cb 0.25 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2wey h LEU 575 CO 0.00 0.82 -0.03 1.56 0.09 0.00 0.00 178.44 180.87 2wey h GLN 576 N 0.32 -0.09 -0.91 1.13 4.20 -1.25 0.56 115.11 119.06 2wey h GLN 576 Ca 0.02 0.01 0.20 0.00 0.06 0.00 0.00 58.65 58.94 2wey h GLN 576 Cb 0.92 0.02 -0.11 0.00 0.30 0.00 0.00 27.48 28.61 2wey h GLN 576 CO 0.08 0.46 0.46 -0.22 -0.67 0.00 0.00 178.83 178.94 2wey h LYS 577 N -0.90 0.51 -0.78 1.46 3.11 -1.02 0.53 116.57 119.49 2wey h LYS 577 Ca -0.01 -0.03 -0.55 0.00 -2.81 0.00 0.00 60.65 57.25 2wey h LYS 577 Cb 0.60 -0.12 -0.37 0.00 -1.00 0.00 0.00 32.23 31.34 2wey h LYS 577 CO 0.02 0.34 -0.35 1.19 -2.81 0.00 0.00 179.45 177.83 2wey n PHE 578 N -4.94 2.73 -3.13 1.91 0.99 -0.66 -5.02 117.46 109.33 2wey n PHE 578 Ca 0.22 -2.38 -0.18 0.00 -0.00 0.00 0.00 57.45 55.11 2wey n PHE 578 Cb 0.60 -0.63 0.01 0.00 -1.00 0.00 0.00 39.48 38.47 2wey n PHE 578 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 2wey n ASP 579 N -0.79 -3.13 -4.82 4.37 9.92 0.18 -4.95 116.55 117.32 2wey n ASP 579 Ca 0.48 -0.49 -0.33 0.00 -0.53 0.00 0.00 54.79 53.91 2wey n ASP 579 Cb 0.89 -1.00 -0.07 0.00 -0.64 0.00 0.00 41.12 40.30 2wey n ASP 579 CO 0.00 0.00 0.00 -2.28 0.13 0.00 0.00 177.20 175.05 2wey s HIS 580 N -2.18 3.36 0.19 1.24 2.46 0.19 -5.00 115.29 115.56 2wey s HIS 580 Ca 0.06 1.56 -0.17 0.00 0.47 0.00 0.00 55.06 56.98 2wey s HIS 580 Cb -0.01 -2.80 0.17 0.00 -0.13 0.00 0.00 32.58 29.82 2wey s HIS 580 CO 0.56 -0.04 1.37 -2.30 -2.47 0.00 0.00 174.74 171.87 2wey n PRO 581 N -0.45 -0.23 -0.02 2.88 -0.02 -1.26 -1.54 135.00 134.35 2wey n PRO 581 Ca 0.06 1.36 0.21 0.00 -2.02 0.00 0.00 63.50 63.10 2wey n PRO 581 Cb 0.53 -2.01 0.69 0.00 -0.02 0.00 0.00 33.50 32.70 2wey n PRO 581 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2wey h LEU 582 N 0.00 0.00 -0.64 2.45 3.38 -1.94 0.05 115.31 118.61 2wey h LEU 582 Ca 0.28 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.11 2wey h LEU 582 Cb 0.50 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2wey h LEU 582 CO -0.87 0.00 -0.61 0.00 0.09 0.00 0.00 178.44 177.05 2wey h ALA 583 N 1.71 0.84 -0.13 1.53 0.00 -1.49 -1.34 119.26 120.38 2wey h ALA 583 Ca 0.27 -0.55 -0.18 0.00 0.00 0.00 0.00 54.91 54.46 2wey h ALA 583 Cb 1.10 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.81 2wey h ALA 583 CO -0.00 0.74 -0.61 0.00 0.00 0.00 0.00 179.25 179.37 2wey h ALA 584 N 1.19 0.24 -0.33 0.00 0.00 -0.93 -3.11 119.26 116.32 2wey h ALA 584 Ca -0.01 -0.54 -0.06 0.00 0.00 0.00 0.00 54.91 54.30 2wey h ALA 584 Cb 1.12 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2wey h ALA 584 CO 0.09 0.50 -0.02 1.25 0.00 0.00 0.00 179.25 181.07 2wey h LEU 585 N 0.29 0.59 -7.54 0.00 6.46 -1.39 -3.39 115.31 110.32 2wey h LEU 585 Ca -0.04 -0.33 -0.64 0.00 -0.12 0.00 0.00 57.88 56.75 2wey h LEU 585 Cb 1.25 -0.16 -0.40 0.00 -0.73 0.00 0.00 40.66 40.62 2wey h LEU 585 CO 0.13 0.77 -0.71 -0.31 -0.62 0.00 0.00 178.44 177.70 2wey s TYR 586 N -4.93 3.33 0.18 1.25 2.02 -0.51 -5.01 117.35 113.69 2wey s TYR 586 Ca -0.13 -2.84 -0.13 0.00 -0.37 0.00 0.00 57.07 53.61 2wey s TYR 586 Cb 0.09 -2.70 0.14 0.00 -0.40 0.00 0.00 41.96 39.09 2wey s TYR 586 CO 0.78 -0.90 1.79 0.66 -1.57 0.00 0.00 175.55 176.31 2wey h SER 587 N 7.47 0.41 -2.02 2.29 4.64 -1.75 -3.38 113.55 121.23 2wey h SER 587 Ca -0.06 0.02 -0.61 0.00 -0.47 0.00 0.00 61.79 60.68 2wey h SER 587 Cb 1.00 -0.05 -0.13 0.00 -0.31 0.00 0.00 62.40 62.90 2wey h SER 587 CO 0.54 0.28 -0.66 0.42 -0.87 0.00 0.00 176.83 176.54 2wey s THR 588 N -6.13 2.10 -1.24 2.95 -4.23 -1.26 -4.74 115.64 103.09 2wey s THR 588 Ca -0.13 -2.15 -0.28 0.00 -1.18 0.00 0.00 61.69 57.95 2wey s THR 588 Cb 0.14 -2.71 0.04 0.00 1.34 0.00 0.00 72.50 71.31 2wey s THR 588 CO 0.74 -0.16 0.53 -1.20 -0.54 0.00 0.00 174.62 173.99 2wey n SER 589 N -0.81 -3.01 0.37 3.99 7.64 -1.26 -4.85 113.62 115.68 2wey n SER 589 Ca -0.05 -1.27 -0.18 0.00 1.01 0.00 0.00 58.87 58.38 2wey n SER 589 Cb 0.64 -1.53 -0.09 0.00 -1.01 0.00 0.00 64.21 62.22 2wey n SER 589 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2wey h THR 590 N -2.35 0.17 0.00 0.44 2.02 -1.85 -2.51 112.91 108.83 2wey h THR 590 Ca -0.68 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 66.50 2wey h THR 590 Cb 1.36 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.94 2wey h THR 590 CO 0.54 0.00 -0.00 0.24 0.37 0.00 0.00 175.52 176.67 2wey h MET 591 N -1.01 -0.00 -0.91 6.66 2.86 -1.90 -3.07 114.93 117.54 2wey h MET 591 Ca -0.08 0.00 0.12 0.00 -2.06 0.00 0.00 59.70 57.68 2wey h MET 591 Cb 0.82 0.00 -0.14 0.00 0.06 0.00 0.00 31.60 32.34 2wey h MET 591 CO 0.08 0.34 -0.45 0.93 1.06 0.00 0.00 176.91 178.87 2wey h GLU 592 N -0.35 -0.04 -0.02 1.72 3.07 -1.90 0.16 114.58 117.21 2wey h GLU 592 Ca -0.00 0.00 0.01 0.00 -0.50 0.00 0.00 59.36 58.87 2wey h GLU 592 Cb 0.35 0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.27 2wey h GLU 592 CO 0.00 -0.03 0.01 1.96 -1.40 0.00 0.00 179.01 179.56 2wey h GLN 593 N -0.04 0.00 -0.16 2.33 4.20 -1.46 -0.55 115.11 119.42 2wey h GLN 593 Ca 0.26 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.78 2wey h GLN 593 Cb 0.54 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.32 2wey h GLN 593 CO -0.92 0.00 -0.66 1.25 -0.67 0.00 0.00 178.83 177.83 2wey h HIS 594 N 0.00 0.81 0.18 2.96 2.76 -0.65 -2.73 115.15 118.47 2wey h HIS 594 Ca 0.01 -0.33 0.01 0.00 -2.20 0.00 0.00 60.37 57.86 2wey h HIS 594 Cb 0.04 -0.14 -0.02 0.00 1.55 0.00 0.00 27.41 28.84 2wey h HIS 594 CO 0.00 1.11 -0.22 0.45 -1.30 0.00 0.00 177.93 177.97 2wey h HIS 595 N 0.45 -0.58 -0.68 5.26 3.86 0.14 -0.64 115.15 122.96 2wey h HIS 595 Ca -0.02 0.01 0.08 0.00 -1.16 0.00 0.00 60.37 59.28 2wey h HIS 595 Cb 1.25 0.23 -0.07 0.00 1.06 0.00 0.00 27.41 29.89 2wey h HIS 595 CO 0.06 -0.32 0.34 0.35 0.86 0.00 0.00 177.93 179.22 2wey h PHE 596 N -0.45 0.61 -0.59 2.45 3.57 -1.42 -0.12 116.94 120.99 2wey h PHE 596 Ca 0.01 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 2wey h PHE 596 Cb 0.44 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.98 2wey h PHE 596 CO -0.18 0.24 0.35 1.03 -2.23 0.00 0.00 178.31 177.52 2wey h SER 597 N 0.59 0.71 -0.81 0.41 0.87 -1.27 -2.23 113.55 111.83 2wey h SER 597 Ca 0.32 -0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.82 2wey h SER 597 Cb 0.31 -0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 62.05 2wey h SER 597 CO -0.24 0.56 0.48 1.56 -0.53 0.00 0.00 176.83 178.66 2wey h GLN 598 N 0.79 1.10 -0.10 2.24 1.08 -0.25 -0.39 115.11 119.59 2wey h GLN 598 Ca 0.21 -0.10 0.04 0.00 -1.45 0.00 0.00 58.65 57.35 2wey h GLN 598 Cb -0.02 -0.23 -0.06 0.00 -0.05 0.00 0.00 27.48 27.13 2wey h GLN 598 CO -0.04 0.78 -0.34 1.15 -0.95 0.00 0.00 178.83 179.43 2wey h THR 599 N 1.11 0.27 -0.62 -0.54 2.02 -0.66 -2.05 112.91 112.43 2wey h THR 599 Ca 0.29 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.43 2wey h THR 599 Cb -0.03 0.27 -0.03 0.00 -1.74 0.00 0.00 68.15 66.62 2wey h THR 599 CO -0.05 0.00 0.25 0.58 0.37 0.00 0.00 175.52 176.66 2wey h VAL 600 N -0.43 1.22 -0.62 3.16 2.07 -0.99 -1.58 116.25 119.08 2wey h VAL 600 Ca 0.08 -0.68 0.02 0.00 0.82 0.00 0.00 66.70 66.94 2wey h VAL 600 Cb 0.56 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 2wey h VAL 600 CO -0.34 0.27 0.41 0.28 0.02 0.00 0.00 177.57 178.21 2wey h SER 601 N 0.89 0.68 0.18 0.57 0.02 -0.71 -1.14 113.55 114.04 2wey h SER 601 Ca 0.21 -0.01 -0.20 0.00 -0.84 0.00 0.00 61.79 60.94 2wey h SER 601 Cb 0.17 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.55 2wey h SER 601 CO -0.02 0.48 -0.79 0.40 -1.14 0.00 0.00 176.83 175.76 2wey h ILE 602 N 0.79 1.36 -0.48 3.27 2.04 -0.60 -3.07 117.51 120.82 2wey h ILE 602 Ca 0.24 -2.17 -0.05 0.00 1.00 0.00 0.00 64.86 63.87 2wey h ILE 602 Cb -0.02 2.16 -0.02 0.00 -0.74 0.00 0.00 36.82 38.19 2wey h ILE 602 CO -0.06 0.66 0.09 -0.07 0.00 0.00 0.00 178.15 178.77 2wey h LEU 603 N 0.32 0.70 -1.14 1.44 3.38 -0.81 -2.57 115.31 116.63 2wey h LEU 603 Ca -0.05 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.79 2wey h LEU 603 Cb 1.39 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2wey h LEU 603 CO 0.14 0.71 0.00 1.56 0.09 0.00 0.00 178.44 180.94 2wey h GLN 604 N 0.72 0.00 -6.88 1.13 4.20 -1.14 -2.75 115.11 110.39 2wey h GLN 604 Ca 0.16 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 58.34 2wey h GLN 604 Cb 0.31 0.00 0.07 0.00 0.30 0.00 0.00 27.48 28.16 2wey h GLN 604 CO 0.00 0.00 0.66 -0.51 -0.67 0.00 0.00 178.83 178.32 2wey s LEU 605 N -5.20 4.41 -0.25 1.46 1.43 -0.97 -4.86 118.68 114.71 2wey s LEU 605 Ca 0.02 2.73 -0.37 0.00 -1.03 0.00 0.00 54.13 55.48 2wey s LEU 605 Cb 0.09 -3.65 -0.13 0.00 0.03 0.00 0.00 46.19 42.53 2wey s LEU 605 CO 0.44 -0.58 1.94 1.21 0.23 0.00 0.00 176.35 179.59 2wey n GLU 606 N 0.89 1.45 -1.00 1.70 0.00 -1.26 -0.81 120.64 121.61 2wey n GLU 606 Ca 0.01 0.49 -0.00 0.00 0.00 0.00 0.00 57.16 57.66 2wey n GLU 606 Cb 0.41 -2.40 -0.00 0.00 0.00 0.00 0.00 31.44 29.45 2wey n GLU 606 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2wey n GLY 607 N 5.07 0.49 0.07 8.31 0.00 -1.26 -4.90 105.19 112.97 2wey n GLY 607 Ca 0.30 -0.06 -0.02 0.00 0.00 0.00 0.00 46.02 46.24 2wey n GLY 607 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2wey n HIS 608 N -2.99 0.28 -1.89 1.61 8.25 0.01 -4.58 115.22 115.92 2wey n HIS 608 Ca -0.00 0.10 -0.22 0.00 -0.26 0.00 0.00 57.72 57.33 2wey n HIS 608 Cb 0.00 -0.89 -0.07 0.00 1.12 0.00 0.00 29.99 30.15 2wey n HIS 608 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 2wey s ASN 609 N -5.32 4.56 0.32 0.41 3.84 -1.04 -4.66 114.94 113.06 2wey s ASN 609 Ca -0.07 -0.88 0.23 0.00 0.21 0.00 0.00 52.86 52.34 2wey s ASN 609 Cb 0.09 -2.57 1.17 0.00 -0.55 0.00 0.00 41.25 39.38 2wey s ASN 609 CO 0.85 -3.42 1.69 2.30 -2.79 0.00 0.00 177.10 175.73 2wey n ILE 610 N 8.24 0.98 0.21 -5.21 -5.35 -1.26 -2.52 119.36 114.45 2wey n ILE 610 Ca 0.43 0.65 0.11 0.00 -0.27 0.00 0.00 62.75 63.66 2wey n ILE 610 Cb 0.46 -1.63 0.27 0.00 -1.74 0.00 0.00 39.64 37.00 2wey n ILE 610 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 2wey n PHE 611 N -2.28 0.67 -0.03 4.28 0.99 -1.26 -4.50 117.46 115.33 2wey n PHE 611 Ca -0.01 -0.34 -0.08 0.00 -0.00 0.00 0.00 57.45 57.02 2wey n PHE 611 Cb 0.07 0.00 -0.02 0.00 -1.00 0.00 0.00 39.48 38.53 2wey n PHE 611 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.76 177.53 2wey h SER 612 N 3.83 -0.42 0.17 4.37 0.02 -1.90 -2.16 113.55 117.46 2wey h SER 612 Ca 0.00 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 2wey h SER 612 Cb 0.86 0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.62 2wey h SER 612 CO 0.00 -0.16 0.00 0.71 -1.14 0.00 0.00 176.83 176.24 2wey h THR 613 N -0.12 0.00 -3.97 -2.27 1.35 -1.86 -3.43 112.91 102.61 2wey h THR 613 Ca 0.12 -0.08 -0.51 0.00 -0.55 0.00 0.00 66.41 65.39 2wey h THR 613 Cb 0.29 1.03 0.06 0.00 -1.73 0.00 0.00 68.15 67.80 2wey h THR 613 CO -0.28 0.00 0.50 -0.76 -0.25 0.00 0.00 175.52 174.73 2wey s LEU 614 N -5.98 4.10 0.56 3.87 1.43 -0.81 -5.02 118.68 116.82 2wey s LEU 614 Ca -0.04 2.34 -0.19 0.00 -1.03 0.00 0.00 54.13 55.21 2wey s LEU 614 Cb 0.12 -4.13 -0.05 0.00 0.03 0.00 0.00 46.19 42.15 2wey s LEU 614 CO 0.41 -0.81 1.14 -0.94 0.23 0.00 0.00 176.35 176.38 2wey s SER 615 N -1.24 5.57 0.51 2.29 1.04 -1.26 -4.64 113.70 115.97 2wey s SER 615 Ca 0.60 2.21 0.22 0.00 0.48 0.00 0.00 55.95 59.47 2wey s SER 615 Cb -0.30 -2.58 1.31 0.00 0.10 0.00 0.00 66.02 64.55 2wey s SER 615 CO 0.37 -1.32 1.99 0.77 0.98 0.00 0.00 173.24 176.03 2wey h SER 616 N 1.06 0.08 -0.17 7.02 4.64 -1.95 0.89 113.55 125.13 2wey h SER 616 Ca -0.50 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.78 2wey h SER 616 Cb 1.27 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2wey h SER 616 CO 0.56 0.05 -0.06 -1.28 -0.87 0.00 0.00 176.83 175.23 2wey h SER 617 N 0.09 0.35 -0.27 4.97 0.87 -2.00 -3.01 113.55 114.54 2wey h SER 617 Ca 0.25 -0.39 -0.14 0.00 -1.23 0.00 0.00 61.79 60.29 2wey h SER 617 Cb 0.88 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 62.75 2wey h SER 617 CO -0.02 0.66 -0.37 -0.33 -0.53 0.00 0.00 176.83 176.24 2wey h GLU 618 N 0.03 0.72 -0.20 2.24 5.08 -1.15 -2.85 114.58 118.46 2wey h GLU 618 Ca 0.04 -0.42 0.06 0.00 -1.00 0.00 0.00 59.36 58.04 2wey h GLU 618 Cb 0.52 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.73 2wey h GLU 618 CO 0.02 1.04 -0.30 -0.92 -1.00 0.00 0.00 179.01 177.85 2wey h TYR 619 N 0.45 -0.82 0.00 4.33 3.20 0.60 0.11 116.97 124.84 2wey h TYR 619 Ca 0.03 0.04 -0.06 0.00 3.14 0.00 0.00 58.73 61.88 2wey h TYR 619 Cb 0.95 0.39 -0.01 0.00 1.54 0.00 0.00 36.73 39.61 2wey h TYR 619 CO 0.08 -0.37 -0.29 1.05 -1.64 0.00 0.00 178.16 176.98 2wey h GLU 620 N -0.34 0.00 -0.46 1.82 4.11 -1.61 -2.66 114.58 115.44 2wey h GLU 620 Ca 0.12 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.47 2wey h GLU 620 Cb 0.52 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 2wey h GLU 620 CO -0.39 0.29 -0.01 0.37 0.07 0.00 0.00 179.01 179.34 2wey h GLN 621 N 0.00 0.82 0.00 1.06 4.15 -0.91 -2.62 115.11 117.61 2wey h GLN 621 Ca -0.00 -0.27 -0.16 0.00 0.77 0.00 0.00 58.65 58.99 2wey h GLN 621 Cb 0.58 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.17 2wey h GLN 621 CO 0.04 0.88 -0.76 -0.24 -1.93 0.00 0.00 178.83 176.82 2wey h VAL 622 N 0.67 1.54 -0.18 2.39 3.04 -0.56 -2.02 116.25 121.13 2wey h VAL 622 Ca 0.13 -2.59 -0.09 0.00 -1.01 0.00 0.00 66.70 63.14 2wey h VAL 622 Cb 0.51 2.40 -0.01 0.00 -2.01 0.00 0.00 31.29 32.18 2wey h VAL 622 CO 0.03 0.74 -0.28 -0.07 -1.01 0.00 0.00 177.57 176.97 2wey h LEU 623 N 0.00 0.34 -0.64 3.16 3.38 -1.42 -0.45 115.31 119.68 2wey h LEU 623 Ca -0.01 -0.11 -0.15 0.00 0.09 0.00 0.00 57.88 57.70 2wey h LEU 623 Cb 1.34 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 2wey h LEU 623 CO 0.10 0.62 -0.62 -0.33 0.09 0.00 0.00 178.44 178.29 2wey h GLU 624 N 0.30 0.21 -0.24 1.13 4.39 -1.22 0.25 114.58 119.40 2wey h GLU 624 Ca 0.04 -0.15 -0.04 0.00 0.34 0.00 0.00 59.36 59.56 2wey h GLU 624 Cb 0.66 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.32 2wey h GLU 624 CO 0.05 0.77 0.01 0.82 -1.16 0.00 0.00 179.01 179.49 2wey h ILE 625 N 0.15 1.25 -0.03 3.13 2.04 -1.10 -2.64 117.51 120.30 2wey h ILE 625 Ca -0.01 -0.87 -0.00 0.00 1.00 0.00 0.00 64.86 64.98 2wey h ILE 625 Cb 1.13 1.36 -0.00 0.00 -0.74 0.00 0.00 36.82 38.57 2wey h ILE 625 CO 0.09 0.27 0.01 0.40 0.00 0.00 0.00 178.15 178.92 2wey h ILE 626 N 0.19 1.21 0.32 -0.67 2.04 -0.99 -1.59 117.51 118.01 2wey h ILE 626 Ca 0.07 -0.62 -0.01 0.00 1.00 0.00 0.00 64.86 65.30 2wey h ILE 626 Cb 0.39 1.56 -0.01 0.00 -0.74 0.00 0.00 36.82 38.02 2wey h ILE 626 CO 0.01 0.17 -0.32 -0.09 0.00 0.00 0.00 178.15 177.91 2wey h ARG 627 N -0.19 -0.62 -0.93 2.37 2.43 -0.58 0.15 114.38 117.01 2wey h ARG 627 Ca 0.01 0.04 0.27 0.00 -0.81 0.00 0.00 59.98 59.49 2wey h ARG 627 Cb 0.26 0.14 -0.16 0.00 -0.42 0.00 0.00 29.97 29.79 2wey h ARG 627 CO 0.00 -0.41 0.18 0.87 -1.51 0.00 0.00 179.97 179.10 2wey h LYS 628 N -0.64 0.09 0.07 0.20 1.57 -1.53 -0.18 116.57 116.15 2wey h LYS 628 Ca -0.04 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2wey h LYS 628 Cb 0.55 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.84 2wey h LYS 628 CO -0.04 0.06 -0.03 0.00 -0.57 0.00 0.00 179.45 178.87 2wey h ALA 629 N 1.89 -0.10 -0.44 3.86 0.00 -0.84 0.62 119.26 124.25 2wey h ALA 629 Ca 0.60 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.42 2wey h ALA 629 Cb 1.28 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 2wey h ALA 629 CO -0.78 -0.45 0.24 0.82 0.00 0.00 0.00 179.25 179.08 2wey h ILE 630 N -0.31 1.01 -0.70 0.00 2.04 -0.04 -2.54 117.51 116.97 2wey h ILE 630 Ca -0.01 -0.17 -0.05 0.00 1.00 0.00 0.00 64.86 65.63 2wey h ILE 630 Cb 0.26 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 36.79 2wey h ILE 630 CO 0.02 0.09 0.23 0.40 0.00 0.00 0.00 178.15 178.89 2wey h ILE 631 N 0.49 1.25 -0.14 -0.67 1.08 -1.04 -2.65 117.51 115.83 2wey h ILE 631 Ca 0.18 -0.85 0.04 0.00 -0.39 0.00 0.00 64.86 63.85 2wey h ILE 631 Cb 0.05 0.46 -0.01 0.00 -3.07 0.00 0.00 36.82 34.25 2wey h ILE 631 CO -0.10 0.33 0.26 0.00 -0.69 0.00 0.00 178.15 177.95 2wey h ALA 632 N 1.22 1.61 0.00 1.87 0.00 -0.43 -1.34 119.26 122.19 2wey h ALA 632 Ca 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2wey h ALA 632 Cb 0.27 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2wey h ALA 632 CO -0.01 -0.34 0.00 0.25 0.00 0.00 0.00 179.25 179.15 2wey n THR 633 N -3.41 0.20 -2.06 0.00 -2.24 -1.00 -4.66 114.28 101.12 2wey n THR 633 Ca 0.01 0.05 -0.43 0.00 -2.27 0.00 0.00 64.05 61.41 2wey n THR 633 Cb 0.36 -0.61 -0.03 0.00 -2.10 0.00 0.00 70.33 67.95 2wey n THR 633 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2wey s ASP 634 N -2.77 6.06 0.55 3.42 2.15 -0.51 -4.87 116.67 120.70 2wey s ASP 634 Ca 0.19 1.34 0.24 0.00 0.43 0.00 0.00 52.55 54.75 2wey s ASP 634 Cb 0.17 -2.53 1.47 0.00 -0.30 0.00 0.00 42.92 41.73 2wey s ASP 634 CO 0.43 -1.57 2.07 -0.07 -0.17 0.00 0.00 175.17 175.86 2wey h LEU 635 N 13.04 0.00 -0.66 -1.34 3.38 -1.89 0.69 115.31 128.52 2wey h LEU 635 Ca -0.33 0.00 0.14 0.00 0.09 0.00 0.00 57.88 57.78 2wey h LEU 635 Cb 1.16 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.80 2wey h LEU 635 CO 1.03 0.00 -0.00 0.00 0.09 0.00 0.00 178.44 179.56 2wey h ALA 636 N 1.81 0.65 0.00 1.53 0.00 -1.95 -0.04 119.26 121.26 2wey h ALA 636 Ca 0.13 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2wey h ALA 636 Cb 0.58 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2wey h ALA 636 CO -0.00 -0.40 0.00 -0.07 0.00 0.00 0.00 179.25 178.78 2wey h LEU 637 N 0.11 0.00 -0.69 0.00 3.38 -1.20 -3.35 115.31 113.57 2wey h LEU 637 Ca 0.35 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.33 2wey h LEU 637 Cb 0.58 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 2wey h LEU 637 CO -0.57 0.00 0.45 0.22 0.09 0.00 0.00 178.44 178.63 2wey h TYR 638 N 0.00 0.86 -0.15 1.13 3.20 -0.85 -2.61 116.97 118.55 2wey h TYR 638 Ca 0.00 0.02 -0.18 0.00 3.14 0.00 0.00 58.73 61.71 2wey h TYR 638 Cb 0.58 -0.29 -0.00 0.00 1.54 0.00 0.00 36.73 38.55 2wey h TYR 638 CO 0.00 0.54 -0.63 0.74 -1.64 0.00 0.00 178.16 177.17 2wey h PHE 639 N 0.93 0.71 0.11 -3.82 -1.00 -1.69 -0.25 116.94 111.92 2wey h PHE 639 Ca 0.25 -0.28 0.00 0.00 2.81 0.00 0.00 57.97 60.76 2wey h PHE 639 Cb -0.10 -0.12 -0.01 0.00 3.61 0.00 0.00 35.95 39.33 2wey h PHE 639 CO -0.03 1.03 -0.09 0.78 -1.61 0.00 0.00 178.31 178.40 2wey h GLY 640 N 1.05 -0.20 0.52 -1.45 0.00 -1.79 -2.47 103.07 98.74 2wey h GLY 640 Ca -0.01 0.10 0.02 0.00 0.00 0.00 0.00 47.33 47.44 2wey h GLY 640 CO 0.12 -0.10 -0.27 -0.57 0.00 0.00 0.00 176.54 175.72 2wey h ASN 641 N -0.21 -0.78 -0.69 0.19 -0.73 -0.96 -1.33 115.58 111.07 2wey h ASN 641 Ca -0.00 0.09 -0.04 0.00 1.87 0.00 0.00 56.30 58.22 2wey h ASN 641 Cb 0.19 0.30 -0.03 0.00 0.27 0.00 0.00 38.32 39.05 2wey h ASN 641 CO -0.01 -0.36 0.29 -0.09 -0.37 0.00 0.00 177.43 176.88 2wey h ARG 642 N -0.48 1.03 -0.77 6.67 1.12 -1.13 -1.19 114.38 119.63 2wey h ARG 642 Ca 0.03 -0.18 0.04 0.00 -1.11 0.00 0.00 59.98 58.76 2wey h ARG 642 Cb 0.51 -0.17 -0.05 0.00 -0.01 0.00 0.00 29.97 30.25 2wey h ARG 642 CO -0.16 0.84 0.48 0.87 -3.11 0.00 0.00 179.97 178.90 2wey h LYS 643 N 0.98 0.90 0.36 0.20 1.57 -1.20 -1.57 116.57 117.80 2wey h LYS 643 Ca 0.23 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.94 2wey h LYS 643 Cb 0.19 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.30 2wey h LYS 643 CO -0.02 0.59 -0.17 1.96 -0.57 0.00 0.00 179.45 181.24 2wey h GLN 644 N 0.92 -0.47 -0.60 3.15 1.08 -0.89 -2.98 115.11 115.32 2wey h GLN 644 Ca 0.32 0.03 0.08 0.00 -1.45 0.00 0.00 58.65 57.63 2wey h GLN 644 Cb 0.06 0.11 -0.04 0.00 -0.05 0.00 0.00 27.48 27.56 2wey h GLN 644 CO -0.13 -0.15 0.40 -0.07 -0.95 0.00 0.00 178.83 177.93 2wey h LEU 645 N -0.83 0.45 -0.15 1.46 3.38 -1.18 -0.07 115.31 118.37 2wey h LEU 645 Ca -0.05 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2wey h LEU 645 Cb 0.53 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 2wey h LEU 645 CO 0.08 0.28 0.08 -0.08 0.09 0.00 0.00 178.44 178.89 2wey h GLU 646 N 0.50 0.21 -0.53 1.13 4.57 -1.31 -2.07 114.58 117.08 2wey h GLU 646 Ca 0.27 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.38 2wey h GLU 646 Cb 0.41 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.93 2wey h GLU 646 CO -0.08 0.24 0.16 1.49 -1.18 0.00 0.00 179.01 179.64 2wey h GLU 647 N 0.12 0.83 0.00 1.92 4.57 -1.07 -0.89 114.58 120.06 2wey h GLU 647 Ca 0.05 -0.18 -0.01 0.00 -1.18 0.00 0.00 59.36 58.04 2wey h GLU 647 Cb 0.09 -0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 28.56 2wey h GLU 647 CO -0.01 0.76 -0.06 0.52 -1.18 0.00 0.00 179.01 179.05 2wey h MET 648 N 0.73 0.00 0.06 1.92 2.86 -0.95 -2.63 114.93 116.92 2wey h MET 648 Ca 0.17 0.00 -0.24 0.00 -2.06 0.00 0.00 59.70 57.57 2wey h MET 648 Cb 0.28 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.93 2wey h MET 648 CO -0.00 0.06 -1.28 -0.92 1.06 0.00 0.00 176.91 175.82 2wey h TYR 649 N 0.00 0.23 0.00 -0.22 3.20 -1.00 0.45 116.97 119.64 2wey h TYR 649 Ca -0.00 -0.17 -0.01 0.00 3.14 0.00 0.00 58.73 61.69 2wey h TYR 649 Cb 0.13 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.39 2wey h TYR 649 CO 0.00 1.50 -0.06 0.37 -1.64 0.00 0.00 178.16 178.33 2wey h GLN 650 N -0.59 0.00 -0.71 1.82 4.15 -1.06 -1.61 115.11 117.11 2wey h GLN 650 Ca -0.30 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.12 2wey h GLN 650 Cb 1.54 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.23 2wey h GLN 650 CO -0.05 0.06 0.00 0.25 -1.93 0.00 0.00 178.83 177.16 2wey n THR 651 N -4.42 1.08 -1.16 2.39 -2.24 -1.00 -4.94 114.28 103.99 2wey n THR 651 Ca -0.03 -1.02 -0.06 0.00 -2.27 0.00 0.00 64.05 60.68 2wey n THR 651 Cb 0.14 0.46 -0.02 0.00 -2.10 0.00 0.00 70.33 68.81 2wey n THR 651 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wey n GLY 652 N 1.53 0.60 0.44 3.38 0.00 -0.61 -4.85 105.19 105.69 2wey n GLY 652 Ca 0.24 -0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.33 2wey n GLY 652 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wey n SER 653 N -0.85 1.36 -4.76 1.61 3.41 -0.20 -4.89 113.62 109.31 2wey n SER 653 Ca -0.06 -1.53 -0.41 0.00 -0.26 0.00 0.00 58.87 56.62 2wey n SER 653 Cb 0.47 -0.04 -0.03 0.00 -0.26 0.00 0.00 64.21 64.35 2wey n SER 653 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2wey s LEU 654 N -1.83 4.49 -0.12 1.04 2.96 0.14 -4.96 118.68 120.39 2wey s LEU 654 Ca 0.36 2.45 -0.05 0.00 -0.22 0.00 0.00 54.13 56.67 2wey s LEU 654 Cb 0.19 -3.63 0.06 0.00 0.50 0.00 0.00 46.19 43.31 2wey s LEU 654 CO 0.31 -0.33 0.27 0.21 -1.32 0.00 0.00 176.35 175.48 2wey s ASN 655 N -0.61 0.14 0.48 3.68 3.84 -1.26 -5.05 114.94 116.16 2wey s ASN 655 Ca 0.47 0.59 0.32 0.00 0.21 0.00 0.00 52.86 54.45 2wey s ASN 655 Cb -0.35 0.63 1.33 0.00 -0.55 0.00 0.00 41.25 42.31 2wey s ASN 655 CO 0.46 -0.22 1.93 -0.07 -2.79 0.00 0.00 177.10 176.41 2wey h LEU 656 N 7.94 0.00 -1.63 3.21 -0.00 -1.96 -1.85 115.31 121.02 2wey h LEU 656 Ca -0.22 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.66 2wey h LEU 656 Cb 1.13 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.79 2wey h LEU 656 CO 0.21 0.00 0.00 0.59 -0.00 0.00 0.00 178.44 179.24 2wey n ASN 657 N -2.87 2.37 -4.28 -0.43 3.02 -1.26 -4.52 115.26 107.29 2wey n ASN 657 Ca 0.01 -2.02 -0.44 0.00 -0.03 0.00 0.00 54.58 52.10 2wey n ASN 657 Cb 0.27 -0.30 -0.06 0.00 -0.61 0.00 0.00 39.78 39.08 2wey n ASN 657 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2wey s ASN 658 N -0.98 6.05 0.43 6.41 3.04 -0.70 -4.97 114.94 124.22 2wey s ASN 658 Ca 0.29 -1.82 0.25 0.00 0.04 0.00 0.00 52.86 51.62 2wey s ASN 658 Cb 0.15 -2.15 1.27 0.00 -1.54 0.00 0.00 41.25 38.98 2wey s ASN 658 CO 0.19 -0.81 1.73 -0.61 -3.04 0.00 0.00 177.10 174.57 2wey h GLN 659 N 8.76 0.24 0.31 0.43 5.75 -1.86 0.54 115.11 129.27 2wey h GLN 659 Ca -0.27 -0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.20 2wey h GLN 659 Cb 1.09 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.59 2wey h GLN 659 CO 0.99 0.16 -0.15 1.03 -2.65 0.00 0.00 178.83 178.21 2wey h SER 660 N 0.24 -0.35 -0.28 -0.69 0.87 -1.93 -1.53 113.55 109.88 2wey h SER 660 Ca 0.66 -0.02 0.04 0.00 -1.23 0.00 0.00 61.79 61.24 2wey h SER 660 Cb 1.94 0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 63.96 2wey h SER 660 CO -0.28 -0.22 0.07 0.45 -0.53 0.00 0.00 176.83 176.32 2wey h HIS 661 N -0.45 0.11 -0.45 2.24 3.86 -0.31 -3.10 115.15 117.06 2wey h HIS 661 Ca -0.04 0.02 0.08 0.00 -1.16 0.00 0.00 60.37 59.26 2wey h HIS 661 Cb 0.34 -0.01 -0.09 0.00 1.06 0.00 0.00 27.41 28.71 2wey h HIS 661 CO -0.04 0.04 -0.41 -0.09 0.86 0.00 0.00 177.93 178.28 2wey h ARG 662 N 0.17 -0.28 -0.81 2.45 2.43 -0.79 -0.99 114.38 116.56 2wey h ARG 662 Ca 0.13 0.02 0.15 0.00 -0.81 0.00 0.00 59.98 59.47 2wey h ARG 662 Cb 0.12 0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 29.68 2wey h ARG 662 CO -0.16 -0.19 0.54 -0.44 -1.51 0.00 0.00 179.97 178.21 2wey h ASP 663 N -0.29 0.47 0.11 -3.80 3.32 -1.21 -1.71 116.42 113.31 2wey h ASP 663 Ca 0.15 0.03 -0.24 0.00 0.02 0.00 0.00 57.03 57.00 2wey h ASP 663 Cb 0.57 -0.06 0.01 0.00 0.22 0.00 0.00 39.33 40.07 2wey h ASP 663 CO -0.60 0.24 -0.92 0.03 -1.72 0.00 0.00 179.24 176.27 2wey h ARG 664 N 0.50 0.59 0.07 3.56 3.08 -1.21 -0.23 114.38 120.74 2wey h ARG 664 Ca 0.41 -0.59 -0.00 0.00 0.07 0.00 0.00 59.98 59.87 2wey h ARG 664 Cb 0.85 0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.05 2wey h ARG 664 CO -0.15 1.20 -0.03 0.28 -1.07 0.00 0.00 179.97 180.20 2wey h VAL 665 N 0.36 1.12 -0.80 2.04 2.07 -0.69 -1.03 116.25 119.33 2wey h VAL 665 Ca -0.09 -0.69 0.18 0.00 0.82 0.00 0.00 66.70 66.92 2wey h VAL 665 Cb 1.56 1.57 -0.14 0.00 -1.52 0.00 0.00 31.29 32.76 2wey h VAL 665 CO 0.17 0.17 -0.04 0.40 0.02 0.00 0.00 177.57 178.29 2wey h ILE 666 N -0.41 0.26 -0.71 4.57 2.04 -1.41 -0.56 117.51 121.29 2wey h ILE 666 Ca -0.01 -0.02 0.15 0.00 1.00 0.00 0.00 64.86 65.98 2wey h ILE 666 Cb 0.35 0.19 -0.11 0.00 -0.74 0.00 0.00 36.82 36.52 2wey h ILE 666 CO 0.02 0.01 0.14 1.23 0.00 0.00 0.00 178.15 179.54 2wey h GLY 667 N 0.07 0.94 0.83 5.37 0.00 -0.38 -1.35 103.07 108.55 2wey h GLY 667 Ca 0.43 -0.01 -0.12 0.00 0.00 0.00 0.00 47.33 47.63 2wey h GLY 667 CO -0.74 -0.20 -0.41 -2.00 0.00 0.00 0.00 176.54 173.19 2wey h LEU 668 N 0.23 0.56 -0.98 3.11 5.85 0.17 -2.26 115.31 121.99 2wey h LEU 668 Ca 0.40 -0.62 0.28 0.00 0.84 0.00 0.00 57.88 58.78 2wey h LEU 668 Cb 0.67 -0.16 -0.14 0.00 0.37 0.00 0.00 40.66 41.40 2wey h LEU 668 CO -0.52 1.08 0.52 0.24 -0.34 0.00 0.00 178.44 179.42 2wey h MET 669 N 0.07 0.38 -0.34 1.25 2.86 -1.09 0.27 114.93 118.32 2wey h MET 669 Ca -0.02 -0.02 -0.06 0.00 -2.06 0.00 0.00 59.70 57.53 2wey h MET 669 Cb 1.04 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.60 2wey h MET 669 CO 0.09 0.25 -0.06 0.52 1.06 0.00 0.00 176.91 178.77 2wey h MET 670 N 0.39 0.55 0.00 1.72 2.86 -0.70 -0.52 114.93 119.24 2wey h MET 670 Ca 0.67 -0.14 -0.06 0.00 -2.06 0.00 0.00 59.70 58.11 2wey h MET 670 Cb 1.41 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 33.00 2wey h MET 670 CO -0.57 0.62 -0.29 1.15 1.06 0.00 0.00 176.91 178.88 2wey h THR 671 N 0.52 0.54 0.07 2.22 2.02 -0.26 -2.22 112.91 115.80 2wey h THR 671 Ca 0.10 -1.58 -0.00 0.00 0.77 0.00 0.00 66.41 65.70 2wey h THR 671 Cb 0.42 2.12 0.00 0.00 -1.74 0.00 0.00 68.15 68.95 2wey h THR 671 CO 0.02 0.28 -0.03 0.00 0.37 0.00 0.00 175.52 176.16 2wey h ALA 672 N 1.71 -0.09 -1.00 6.16 0.00 -0.15 -2.98 119.26 122.91 2wey h ALA 672 Ca -0.00 -0.21 0.16 0.00 0.00 0.00 0.00 54.91 54.86 2wey h ALA 672 Cb 1.09 0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.82 2wey h ALA 672 CO 0.04 -0.11 0.62 0.00 0.00 0.00 0.00 179.25 179.80 2wey h ASP 674 N 0.85 0.42 0.81 0.00 3.58 -1.46 -2.91 116.42 117.70 2wey h ASP 674 Ca 0.54 -0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.86 2wey h ASP 674 Cb 0.74 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.67 2wey h ASP 674 CO -0.32 0.66 -0.77 -0.07 -2.88 0.00 0.00 179.24 175.86 2wey h LEU 675 N 0.37 0.00 -0.07 2.28 3.38 -1.25 -3.44 115.31 116.58 2wey h LEU 675 Ca 0.06 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.82 2wey h LEU 675 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2wey h LEU 675 CO 0.04 0.10 0.74 0.00 0.09 0.00 0.00 178.44 179.42 2wey h SER 677 N 0.00 0.00 0.06 0.00 4.64 -1.85 0.18 113.55 116.58 2wey h SER 677 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wey h SER 677 Cb 1.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.57 2wey h SER 677 CO 0.00 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.29 2wey n VAL 678 N -3.09 0.09 -0.13 0.95 0.24 0.54 -3.38 118.33 113.56 2wey n VAL 678 Ca -0.01 0.02 0.01 0.00 -2.04 0.00 0.00 64.34 62.32 2wey n VAL 678 Cb 0.18 -0.75 0.01 0.00 -1.47 0.00 0.00 33.84 31.81 2wey n VAL 678 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2wey n THR 679 N -1.05 1.01 -3.25 3.34 -2.24 0.64 -3.73 114.28 109.00 2wey n THR 679 Ca 0.12 -1.04 -0.21 0.00 -2.27 0.00 0.00 64.05 60.66 2wey n THR 679 Cb 0.07 0.47 0.04 0.00 -2.10 0.00 0.00 70.33 68.81 2wey n THR 679 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2wey s LYS 680 N -1.08 2.35 0.43 -0.78 -0.14 -1.22 -4.62 119.74 114.69 2wey s LYS 680 Ca 0.02 -1.69 -0.26 0.00 -1.36 0.00 0.00 55.97 52.69 2wey s LYS 680 Cb 0.02 -2.52 -0.09 0.00 -1.68 0.00 0.00 37.83 33.56 2wey s LYS 680 CO 0.00 -0.72 1.41 -0.51 -0.76 0.00 0.00 175.35 174.78 2wey s LEU 681 N -4.52 4.16 0.26 3.17 1.43 -1.26 -4.68 118.68 117.23 2wey s LEU 681 Ca 0.54 2.89 -0.02 0.00 -1.03 0.00 0.00 54.13 56.52 2wey s LEU 681 Cb -0.05 -3.89 0.56 0.00 0.03 0.00 0.00 46.19 42.83 2wey s LEU 681 CO 0.34 -1.08 1.69 -0.25 0.23 0.00 0.00 176.35 177.27 2wey h TRP 682 N 2.47 0.40 0.00 0.29 2.91 -1.96 -0.66 115.95 119.41 2wey h TRP 682 Ca -0.51 0.04 -0.00 0.00 1.13 0.00 0.00 58.89 59.56 2wey h TRP 682 Cb 1.26 -0.05 -0.00 0.00 -0.51 0.00 0.00 29.16 29.86 2wey h TRP 682 CO 0.51 -0.07 -0.00 -1.35 -1.03 0.00 0.00 178.44 176.50 2wey h PRO 683 N 0.32 0.00 0.04 2.65 0.11 -2.00 -0.54 132.00 132.58 2wey h PRO 683 Ca 0.47 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.58 2wey h PRO 683 Cb 0.83 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.94 2wey h PRO 683 CO -0.52 0.00 -0.02 0.28 -0.21 0.00 0.00 178.00 177.53 2wey h VAL 684 N 0.00 1.18 -0.53 3.15 2.07 -1.49 -3.05 116.25 117.58 2wey h VAL 684 Ca -0.00 -1.70 0.08 0.00 0.82 0.00 0.00 66.70 65.90 2wey h VAL 684 Cb 0.00 2.15 -0.10 0.00 -1.52 0.00 0.00 31.29 31.83 2wey h VAL 684 CO 0.00 0.37 -0.46 0.74 0.02 0.00 0.00 177.57 178.24 2wey h THR 685 N -0.93 0.07 -0.78 2.57 2.02 -1.16 -1.47 112.91 113.23 2wey h THR 685 Ca -0.01 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.22 2wey h THR 685 Cb 0.65 0.07 -0.05 0.00 -1.74 0.00 0.00 68.15 67.07 2wey h THR 685 CO 0.01 0.00 0.48 0.50 0.37 0.00 0.00 175.52 176.88 2wey h LYS 686 N -0.27 0.88 -0.85 6.66 3.64 -1.25 -1.51 116.57 123.86 2wey h LYS 686 Ca 0.15 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.51 2wey h LYS 686 Cb 0.57 -0.20 -0.05 0.00 -0.41 0.00 0.00 32.23 32.14 2wey h LYS 686 CO -0.66 0.58 0.56 -0.07 -2.27 0.00 0.00 179.45 177.59 2wey h LEU 687 N 0.91 0.93 -0.31 5.20 3.38 -1.19 -2.07 115.31 122.16 2wey h LEU 687 Ca 0.33 -0.01 -0.20 0.00 0.09 0.00 0.00 57.88 58.09 2wey h LEU 687 Cb 0.10 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.64 2wey h LEU 687 CO -0.15 0.65 -0.68 0.74 0.09 0.00 0.00 178.44 179.09 2wey h THR 688 N 1.08 1.31 -0.99 0.22 2.02 -0.79 -3.07 112.91 112.68 2wey h THR 688 Ca 0.33 -1.93 0.20 0.00 0.77 0.00 0.00 66.41 65.78 2wey h THR 688 Cb -0.01 1.90 -0.11 0.00 -1.74 0.00 0.00 68.15 68.19 2wey h THR 688 CO -0.09 0.61 0.59 0.00 0.37 0.00 0.00 175.52 176.99 2wey h ALA 689 N 0.75 1.67 -0.91 6.16 0.00 -0.59 0.18 119.26 126.52 2wey h ALA 689 Ca -0.02 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.00 2wey h ALA 689 Cb 1.28 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.97 2wey h ALA 689 CO 0.13 -0.11 0.60 -0.91 0.00 0.00 0.00 179.25 178.97 2wey h ASN 690 N 0.71 1.01 -0.41 0.00 2.35 -1.38 -1.93 115.58 115.93 2wey h ASN 690 Ca 0.59 -0.02 -0.12 0.00 -0.55 0.00 0.00 56.30 56.20 2wey h ASN 690 Cb 0.96 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 39.07 2wey h ASN 690 CO -0.41 0.71 -0.19 0.44 -1.65 0.00 0.00 177.43 176.34 2wey h ASP 691 N 1.19 0.91 0.63 5.81 5.19 -0.74 -1.67 116.42 127.74 2wey h ASP 691 Ca 0.35 -0.32 -0.03 0.00 -0.62 0.00 0.00 57.03 56.40 2wey h ASP 691 Cb -0.06 -0.25 0.01 0.00 0.18 0.00 0.00 39.33 39.21 2wey h ASP 691 CO -0.09 1.07 -0.30 0.40 -3.12 0.00 0.00 179.24 177.20 2wey h ILE 692 N 0.79 0.35 -0.57 0.35 2.04 -0.73 -2.96 117.51 116.79 2wey h ILE 692 Ca 0.11 -0.09 -0.07 0.00 1.00 0.00 0.00 64.86 65.81 2wey h ILE 692 Cb 0.73 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 2wey h ILE 692 CO 0.06 0.01 0.06 1.88 0.00 0.00 0.00 178.15 180.16 2wey h TYR 693 N -0.91 0.98 -1.08 1.37 -1.99 -1.42 -1.35 116.97 112.57 2wey h TYR 693 Ca -0.09 -0.13 0.36 0.00 2.00 0.00 0.00 58.73 60.87 2wey h TYR 693 Cb 0.67 -0.27 -0.15 0.00 2.00 0.00 0.00 36.73 38.99 2wey h TYR 693 CO -0.02 0.86 0.64 0.00 -0.00 0.00 0.00 178.16 179.64 2wey h ALA 694 N 1.19 2.21 0.05 3.88 0.00 -1.22 0.10 119.26 125.48 2wey h ALA 694 Ca 0.17 0.17 -0.09 0.00 0.00 0.00 0.00 54.91 55.17 2wey h ALA 694 Cb 0.43 0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.41 2wey h ALA 694 CO 0.01 -0.84 -0.40 0.93 0.00 0.00 0.00 179.25 178.96 2wey h GLU 695 N 0.22 0.12 -0.51 0.00 5.08 -1.10 -3.10 114.58 115.29 2wey h GLU 695 Ca 0.77 -0.20 0.07 0.00 -1.00 0.00 0.00 59.36 59.00 2wey h GLU 695 Cb 1.98 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 31.25 2wey h GLU 695 CO -0.56 1.10 0.16 0.74 -1.00 0.00 0.00 179.01 179.44 2wey h PHE 696 N -0.75 0.28 -0.09 4.33 0.04 -0.70 -2.76 116.94 117.30 2wey h PHE 696 Ca -0.08 0.03 -0.09 0.00 2.80 0.00 0.00 57.97 60.63 2wey h PHE 696 Cb 1.27 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 39.36 2wey h PHE 696 CO 0.24 0.07 -0.37 -1.49 -0.60 0.00 0.00 178.31 176.16 2wey h TRP 697 N 0.33 0.21 0.00 -0.55 6.55 -0.95 -0.57 115.95 120.98 2wey h TRP 697 Ca 0.25 -0.05 -0.06 0.00 0.95 0.00 0.00 58.89 59.98 2wey h TRP 697 Cb 0.29 -0.05 -0.01 0.00 -0.86 0.00 0.00 29.16 28.53 2wey h TRP 697 CO -0.18 0.53 -0.27 0.00 -1.05 0.00 0.00 178.44 177.47 2wey h ALA 698 N 1.46 1.35 0.01 1.49 0.00 -1.41 -2.66 119.26 119.51 2wey h ALA 698 Ca 0.02 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 2wey h ALA 698 Cb 0.73 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2wey h ALA 698 CO 0.05 0.34 -0.01 1.49 0.00 0.00 0.00 179.25 181.13 2wey h GLU 699 N 0.00 -0.02 -0.89 0.00 4.81 -0.98 -3.31 114.58 114.19 2wey h GLU 699 Ca -0.00 0.00 0.25 0.00 -0.13 0.00 0.00 59.36 59.47 2wey h GLU 699 Cb 0.55 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.89 2wey h GLU 699 CO 0.04 0.76 0.63 0.78 -0.73 0.00 0.00 179.01 180.48 2wey h GLY 700 N -0.93 0.25 1.74 1.92 0.00 -1.09 0.21 103.07 105.16 2wey h GLY 700 Ca -0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 47.33 47.24 2wey h GLY 700 CO 0.00 -0.01 -0.05 -0.55 0.00 0.00 0.00 176.54 175.93 2wey h ASP 701 N 0.11 0.31 0.60 0.19 3.32 -1.56 -0.16 116.42 119.23 2wey h ASP 701 Ca 0.44 -0.05 -0.24 0.00 0.02 0.00 0.00 57.03 57.20 2wey h ASP 701 Cb 1.57 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 41.03 2wey h ASP 701 CO -0.06 0.41 -1.07 -0.33 -1.72 0.00 0.00 179.24 176.47 2wey h GLU 702 N 0.32 0.25 -0.23 3.56 4.39 -0.70 -1.69 114.58 120.48 2wey h GLU 702 Ca 0.07 -0.35 -0.05 0.00 0.34 0.00 0.00 59.36 59.37 2wey h GLU 702 Cb 0.30 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 2wey h GLU 702 CO 0.01 1.11 -0.07 0.52 -1.16 0.00 0.00 179.01 179.43 2wey h MET 703 N 0.10 0.46 -0.36 2.33 2.86 -1.14 -2.19 114.93 116.99 2wey h MET 703 Ca -0.09 -0.18 0.08 0.00 -2.06 0.00 0.00 59.70 57.45 2wey h MET 703 Cb 1.76 -0.02 -0.09 0.00 0.06 0.00 0.00 31.60 33.31 2wey h MET 703 CO 0.17 0.70 -0.26 0.87 1.06 0.00 0.00 176.91 179.44 2wey h LYS 704 N 0.19 -0.21 -0.89 1.72 1.57 -0.75 0.63 116.57 118.84 2wey h LYS 704 Ca 0.06 0.01 0.12 0.00 -1.87 0.00 0.00 60.65 58.97 2wey h LYS 704 Cb 0.53 0.05 -0.07 0.00 0.08 0.00 0.00 32.23 32.82 2wey h LYS 704 CO 0.03 -0.14 0.57 0.87 -0.57 0.00 0.00 179.45 180.21 2wey h LYS 705 N -0.21 0.76 -0.84 3.15 1.57 -1.19 0.18 116.57 119.99 2wey h LYS 705 Ca 0.17 -0.05 -0.17 0.00 -1.87 0.00 0.00 60.65 58.74 2wey h LYS 705 Cb 0.49 -0.17 -0.10 0.00 0.08 0.00 0.00 32.23 32.53 2wey h LYS 705 CO -0.48 0.50 0.22 1.28 -0.57 0.00 0.00 179.45 180.39 2wey n LEU 706 N -4.55 4.97 -2.06 2.94 4.77 -0.83 -4.92 117.00 117.31 2wey n LEU 706 Ca 0.16 -2.58 -0.19 0.00 -0.03 0.00 0.00 56.01 53.37 2wey n LEU 706 Cb 0.39 -0.68 -0.02 0.00 -2.33 0.00 0.00 43.42 40.78 2wey n LEU 706 CO 0.30 0.69 -0.23 0.61 -1.33 0.00 0.00 177.39 177.43 2wey n GLY 707 N -0.07 -0.07 3.15 -0.72 0.00 0.65 -5.00 105.19 103.13 2wey n GLY 707 Ca 0.30 -0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 2wey n GLY 707 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wey s ILE 708 N -2.91 2.31 -0.24 -0.61 1.01 0.21 -4.97 121.20 116.00 2wey s ILE 708 Ca 0.00 -0.97 -0.30 0.00 0.00 0.00 0.00 60.65 59.38 2wey s ILE 708 Cb 0.00 -2.04 -0.07 0.00 0.01 0.00 0.00 42.46 40.36 2wey s ILE 708 CO 0.00 0.43 2.20 1.67 0.00 0.00 0.00 174.94 179.24 2wey n GLN 709 N 4.63 1.75 -2.11 2.79 -0.06 -1.26 -2.55 117.38 120.57 2wey n GLN 709 Ca -0.19 0.49 -0.34 0.00 -2.00 0.00 0.00 57.00 54.95 2wey n GLN 709 Cb 0.49 -3.01 0.01 0.00 -4.06 0.00 0.00 30.24 23.67 2wey n GLN 709 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 2wey s PRO 710 N 6.22 3.23 0.27 3.69 0.04 -1.26 -4.95 135.00 142.24 2wey s PRO 710 Ca 1.03 1.46 -0.29 0.00 0.04 0.00 0.00 61.00 63.24 2wey s PRO 710 Cb -0.48 -2.00 -0.14 0.00 0.04 0.00 0.00 34.50 31.91 2wey s PRO 710 CO 0.39 -0.92 1.05 0.44 0.04 0.00 0.00 177.00 178.01 2wey n ILE 711 N -1.70 1.78 -0.24 0.56 -5.35 -1.26 -4.66 119.36 108.50 2wey n ILE 711 Ca 0.11 -0.44 0.23 0.00 -0.27 0.00 0.00 62.75 62.37 2wey n ILE 711 Cb 0.52 -0.99 0.42 0.00 -1.74 0.00 0.00 39.64 37.84 2wey n ILE 711 CO 0.00 0.00 0.00 -2.65 -1.76 0.00 0.00 176.55 172.14 2wey n PRO 712 N 0.94 -0.04 0.26 6.28 -0.02 -1.26 -0.05 135.00 141.11 2wey n PRO 712 Ca 0.10 0.95 0.09 0.00 -2.02 0.00 0.00 63.50 62.62 2wey n PRO 712 Cb 0.31 -1.72 0.67 0.00 -0.02 0.00 0.00 33.50 32.74 2wey n PRO 712 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 2wey h MET 713 N 0.00 0.00 -0.25 -0.52 4.05 -1.94 -2.40 114.93 113.87 2wey h MET 713 Ca 0.59 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 60.01 2wey h MET 713 Cb 1.61 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.41 2wey h MET 713 CO -0.51 0.04 0.00 -1.33 0.23 0.00 0.00 176.91 175.34 2wey n MET 714 N -4.34 2.14 -3.06 0.39 2.81 0.92 -4.76 117.12 111.22 2wey n MET 714 Ca -0.03 -1.80 -0.43 0.00 -1.81 0.00 0.00 57.70 53.63 2wey n MET 714 Cb 0.12 -1.26 -0.06 0.00 -0.71 0.00 0.00 33.22 31.31 2wey n MET 714 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2wey s ASP 715 N -0.99 6.30 0.46 7.83 -1.08 -0.90 -3.61 116.67 124.67 2wey s ASP 715 Ca 0.21 -0.53 0.14 0.00 -0.52 0.00 0.00 52.55 51.85 2wey s ASP 715 Cb 0.12 -2.34 1.05 0.00 -1.46 0.00 0.00 42.92 40.29 2wey s ASP 715 CO 0.16 -0.92 2.03 0.08 0.52 0.00 0.00 175.17 177.05 2wey h ARG 716 N 9.01 0.06 -1.07 4.34 0.11 -1.86 -1.99 114.38 122.98 2wey h ARG 716 Ca -0.26 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.81 2wey h ARG 716 Cb 1.09 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.16 2wey h ARG 716 CO 0.96 0.16 0.00 -0.25 0.10 0.00 0.00 179.97 180.94 2wey n ASP 717 N -4.39 2.84 -1.28 0.08 10.43 -1.26 -3.79 116.55 119.18 2wey n ASP 717 Ca -0.02 -1.88 0.01 0.00 2.57 0.00 0.00 54.79 55.47 2wey n ASP 717 Cb 0.19 -0.48 -0.00 0.00 1.84 0.00 0.00 41.12 42.67 2wey n ASP 717 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 2wey n LYS 718 N 0.54 0.00 0.22 -1.24 5.02 -0.75 -4.96 118.16 117.00 2wey n LYS 718 Ca 0.00 -1.63 0.17 0.00 -2.02 0.00 0.00 58.31 54.83 2wey n LYS 718 Cb 0.47 0.09 0.85 0.00 -0.02 0.00 0.00 35.03 36.42 2wey n LYS 718 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2wey h LYS 719 N 0.66 0.00 0.00 1.97 1.57 -1.76 -2.14 116.57 116.87 2wey h LYS 719 Ca -0.29 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.45 2wey h LYS 719 Cb 1.72 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.03 2wey h LYS 719 CO -0.01 0.00 -0.17 -0.44 -0.57 0.00 0.00 179.45 178.26 2wey h ASP 720 N 0.00 0.00 0.19 0.86 3.32 -1.94 -2.50 116.42 116.36 2wey h ASP 720 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 2wey h ASP 720 Cb 0.49 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.04 2wey h ASP 720 CO -0.00 0.17 -0.02 -0.62 -1.72 0.00 0.00 179.24 177.06 2wey n GLU 721 N -4.15 0.88 0.22 3.56 1.02 -0.80 -4.32 120.64 117.04 2wey n GLU 721 Ca -0.02 -0.13 -0.12 0.00 -0.02 0.00 0.00 57.16 56.87 2wey n GLU 721 Cb 0.25 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.10 2wey n GLU 721 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2wey h VAL 722 N 0.31 0.33 -1.17 2.62 2.07 -1.61 -2.12 116.25 116.69 2wey h VAL 722 Ca 0.00 -0.56 0.34 0.00 0.82 0.00 0.00 66.70 67.29 2wey h VAL 722 Cb 0.17 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 30.39 2wey h VAL 722 CO 0.00 0.06 0.83 -0.65 0.02 0.00 0.00 177.57 177.84 2wey h PRO 723 N -1.02 0.03 0.20 1.57 0.11 -1.79 0.11 132.00 131.20 2wey h PRO 723 Ca -0.06 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.04 2wey h PRO 723 Cb 0.56 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.67 2wey h PRO 723 CO 0.10 0.02 -0.09 0.37 -0.21 0.00 0.00 178.00 178.19 2wey h GLN 724 N 0.03 -0.25 -0.81 1.05 5.75 -1.77 -2.82 115.11 116.30 2wey h GLN 724 Ca 0.56 0.02 0.09 0.00 -0.15 0.00 0.00 58.65 59.17 2wey h GLN 724 Cb 2.19 0.06 -0.07 0.00 1.07 0.00 0.00 27.48 30.73 2wey h GLN 724 CO -0.03 0.09 0.46 0.78 -2.65 0.00 0.00 178.83 177.48 2wey h GLY 725 N -0.64 1.24 0.95 2.39 0.00 -0.15 0.01 103.07 106.87 2wey h GLY 725 Ca -0.03 -0.31 -0.00 0.00 0.00 0.00 0.00 47.33 46.99 2wey h GLY 725 CO 0.04 0.15 0.01 1.46 0.00 0.00 0.00 176.54 178.20 2wey h GLN 726 N 0.79 0.01 -0.60 4.80 1.08 -1.32 0.40 115.11 120.27 2wey h GLN 726 Ca 0.38 -0.00 0.06 0.00 -1.45 0.00 0.00 58.65 57.64 2wey h GLN 726 Cb 0.32 -0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.69 2wey h GLN 726 CO -0.23 0.06 0.31 1.25 -0.95 0.00 0.00 178.83 179.27 2wey h LEU 727 N -0.04 0.45 -0.64 1.46 6.46 -1.13 0.44 115.31 122.31 2wey h LEU 727 Ca 0.00 0.03 0.06 0.00 -0.12 0.00 0.00 57.88 57.86 2wey h LEU 727 Cb 0.05 -0.05 -0.05 0.00 -0.73 0.00 0.00 40.66 39.88 2wey h LEU 727 CO -0.00 0.29 0.34 1.23 -0.62 0.00 0.00 178.44 179.69 2wey h GLY 728 N 0.59 0.93 0.85 3.75 0.00 -0.59 -0.67 103.07 107.92 2wey h GLY 728 Ca 0.27 -0.24 -0.10 0.00 0.00 0.00 0.00 47.33 47.27 2wey h GLY 728 CO -0.19 0.14 -0.27 -2.75 0.00 0.00 0.00 176.54 173.47 2wey h PHE 729 N 0.64 0.64 -0.42 5.60 3.57 0.95 -0.26 116.94 127.65 2wey h PHE 729 Ca 0.29 -0.21 0.04 0.00 3.53 0.00 0.00 57.97 61.62 2wey h PHE 729 Cb 0.19 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 38.77 2wey h PHE 729 CO -0.09 0.92 0.19 1.88 -2.23 0.00 0.00 178.31 178.98 2wey h TYR 730 N 0.17 0.35 -0.32 0.41 -1.99 -0.08 0.28 116.97 115.81 2wey h TYR 730 Ca 0.02 0.02 -0.06 0.00 2.00 0.00 0.00 58.73 60.71 2wey h TYR 730 Cb 0.85 -0.10 -0.01 0.00 2.00 0.00 0.00 36.73 39.47 2wey h TYR 730 CO 0.09 0.17 -0.03 -0.91 -0.00 0.00 0.00 178.16 177.48 2wey h ASN 731 N 0.39 0.57 0.04 3.88 2.35 -1.08 -0.09 115.58 121.64 2wey h ASN 731 Ca 0.19 -0.33 -0.25 0.00 -0.55 0.00 0.00 56.30 55.36 2wey h ASN 731 Cb 0.12 -0.15 0.01 0.00 0.05 0.00 0.00 38.32 38.35 2wey h ASN 731 CO -0.15 0.76 -0.96 0.00 -1.65 0.00 0.00 177.43 175.44 2wey h ALA 732 N 0.83 0.23 0.00 -0.83 0.00 -0.94 -3.41 119.26 115.14 2wey h ALA 732 Ca 0.09 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2wey h ALA 732 Cb 0.49 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2wey h ALA 732 CO 0.02 0.71 -0.02 0.28 0.00 0.00 0.00 179.25 180.24 2wey n VAL 733 N -3.85 0.16 0.12 0.00 0.31 0.97 -4.73 118.33 111.30 2wey n VAL 733 Ca -0.09 0.12 -0.08 0.00 -0.01 0.00 0.00 64.34 64.27 2wey n VAL 733 Cb 0.84 -1.17 -0.05 0.00 -0.91 0.00 0.00 33.84 32.56 2wey n VAL 733 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wey h ALA 734 N -0.33 -0.90 -0.31 3.52 0.00 -1.30 -0.25 119.26 119.68 2wey h ALA 734 Ca 0.00 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 54.89 2wey h ALA 734 Cb 0.02 0.52 -0.08 0.00 0.00 0.00 0.00 17.79 18.25 2wey h ALA 734 CO 0.00 -0.93 -0.43 0.82 0.00 0.00 0.00 179.25 178.71 2wey h ILE 735 N -0.45 0.12 -0.46 0.00 1.08 -1.28 0.15 117.51 116.67 2wey h ILE 735 Ca -0.02 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.54 2wey h ILE 735 Cb 0.41 0.12 -0.10 0.00 -3.07 0.00 0.00 36.82 34.18 2wey h ILE 735 CO -0.05 0.00 -0.22 -0.65 -0.69 0.00 0.00 178.15 176.54 2wey h PRO 736 N -0.39 -0.12 -0.37 2.37 0.11 -1.76 0.44 132.00 132.28 2wey h PRO 736 Ca 0.11 0.01 0.08 0.00 0.11 0.00 0.00 66.00 66.31 2wey h PRO 736 Cb 0.60 0.03 -0.09 0.00 0.11 0.00 0.00 31.00 31.65 2wey h PRO 736 CO -0.51 -0.08 -0.33 0.00 -0.21 0.00 0.00 178.00 176.87 2wey h TYR 738 N -0.27 0.20 0.15 0.00 -1.99 -0.40 -2.73 116.97 111.93 2wey h TYR 738 Ca 0.16 -0.09 -0.01 0.00 2.00 0.00 0.00 58.73 60.80 2wey h TYR 738 Cb 0.54 -0.03 0.00 0.00 2.00 0.00 0.00 36.73 39.24 2wey h TYR 738 CO -0.53 0.77 -0.07 1.15 -0.00 0.00 0.00 178.16 179.48 2wey h THR 739 N 0.11 0.91 0.63 -2.88 2.02 0.34 -1.31 112.91 112.73 2wey h THR 739 Ca -0.01 -0.26 -0.02 0.00 0.77 0.00 0.00 66.41 66.88 2wey h THR 739 Cb 1.20 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 68.67 2wey h THR 739 CO 0.10 0.06 -0.50 0.74 0.37 0.00 0.00 175.52 176.29 2wey h THR 740 N -0.33 0.02 -0.48 3.16 2.02 -1.25 -2.05 112.91 113.99 2wey h THR 740 Ca -0.02 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.30 2wey h THR 740 Cb 0.26 0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 66.66 2wey h THR 740 CO 0.03 0.00 0.58 0.25 0.37 0.00 0.00 175.52 176.76 2wey h LEU 741 N -1.10 0.00 0.27 2.58 5.85 -1.45 0.18 115.31 121.64 2wey h LEU 741 Ca -0.08 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 2wey h LEU 741 Cb 0.92 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.95 2wey h LEU 741 CO 0.01 0.00 -0.13 0.74 -0.34 0.00 0.00 178.44 178.72 2wey h THR 742 N 0.00 0.17 -1.01 1.05 2.02 -0.93 0.29 112.91 114.50 2wey h THR 742 Ca 0.23 -0.81 0.23 0.00 0.77 0.00 0.00 66.41 66.84 2wey h THR 742 Cb 1.39 0.30 -0.10 0.00 -1.74 0.00 0.00 68.15 68.00 2wey h THR 742 CO -0.00 0.05 0.63 1.56 0.37 0.00 0.00 175.52 178.12 2wey h GLN 743 N -1.07 0.53 -0.01 6.66 4.20 -0.05 0.16 115.11 125.54 2wey h GLN 743 Ca -0.04 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.61 2wey h GLN 743 Cb 0.36 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.02 2wey h GLN 743 CO 0.06 0.35 -0.12 0.82 -0.67 0.00 0.00 178.83 179.27 2wey h ILE 744 N 0.55 1.54 -2.96 2.54 2.04 -1.04 -3.41 117.51 116.76 2wey h ILE 744 Ca 0.59 -1.76 -0.61 0.00 1.00 0.00 0.00 64.86 64.08 2wey h ILE 744 Cb 1.23 2.66 -0.41 0.00 -0.74 0.00 0.00 36.82 39.56 2wey h ILE 744 CO -0.35 0.47 -0.69 -0.76 0.00 0.00 0.00 178.15 176.82 2wey s LEU 745 N -8.70 3.64 0.35 1.44 1.43 0.09 -5.01 118.68 111.92 2wey s LEU 745 Ca -0.16 -3.33 0.12 0.00 -1.03 0.00 0.00 54.13 49.73 2wey s LEU 745 Cb 0.01 -1.27 0.93 0.00 0.03 0.00 0.00 46.19 45.88 2wey s LEU 745 CO 0.71 -0.16 1.78 -0.65 0.23 0.00 0.00 176.35 178.26 2wey h PRO 746 N 5.87 0.55 -0.54 1.29 0.11 -1.01 -0.56 132.00 137.71 2wey h PRO 746 Ca 0.11 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.18 2wey h PRO 746 Cb 0.84 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.83 2wey h PRO 746 CO 0.60 0.36 0.00 -2.30 -0.21 0.00 0.00 178.00 176.45 2wey n PRO 747 N -4.70 0.44 -0.01 1.05 -0.02 -1.26 -2.23 135.00 128.26 2wey n PRO 747 Ca 0.24 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.75 2wey n PRO 747 Cb 0.72 -1.23 0.03 0.00 -0.02 0.00 0.00 33.50 33.00 2wey n PRO 747 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2wey n THR 748 N 0.33 0.15 -0.01 3.45 -2.24 -0.22 -4.79 114.28 110.94 2wey n THR 748 Ca 0.00 -0.57 0.11 0.00 -2.27 0.00 0.00 64.05 61.32 2wey n THR 748 Cb 0.12 1.02 0.53 0.00 -2.10 0.00 0.00 70.33 69.90 2wey n THR 748 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2wey h GLU 749 N 1.01 0.32 -1.19 -0.78 4.81 -1.64 0.08 114.58 117.19 2wey h GLU 749 Ca 0.00 -0.02 0.34 0.00 -0.13 0.00 0.00 59.36 59.55 2wey h GLU 749 Cb 0.27 -0.07 -0.07 0.00 0.63 0.00 0.00 28.75 29.52 2wey h GLU 749 CO 0.00 0.21 0.83 -1.35 -0.73 0.00 0.00 179.01 177.97 2wey h PRO 750 N 0.33 0.10 -0.48 0.92 0.11 -1.86 0.11 132.00 131.22 2wey h PRO 750 Ca 0.22 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 66.23 2wey h PRO 750 Cb 0.43 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.50 2wey h PRO 750 CO -0.05 0.07 -0.06 -0.07 -0.21 0.00 0.00 178.00 177.68 2wey h LEU 751 N 0.10 0.88 -0.79 2.35 3.38 -1.34 -2.13 115.31 117.77 2wey h LEU 751 Ca 0.60 -0.34 -0.11 0.00 0.09 0.00 0.00 57.88 58.13 2wey h LEU 751 Cb 2.15 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 42.65 2wey h LEU 751 CO -0.10 1.01 -0.52 0.25 0.09 0.00 0.00 178.44 179.16 2wey h LEU 752 N 0.74 0.00 0.09 1.67 5.85 -1.15 -2.08 115.31 120.42 2wey h LEU 752 Ca 0.13 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 2wey h LEU 752 Cb 0.59 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.62 2wey h LEU 752 CO 0.04 0.52 -0.04 0.50 -0.34 0.00 0.00 178.44 179.12 2wey h LYS 753 N 0.00 -0.12 -0.99 1.25 3.64 -1.00 -2.88 116.57 116.47 2wey h LYS 753 Ca -0.01 0.01 0.12 0.00 -1.27 0.00 0.00 60.65 59.50 2wey h LYS 753 Cb 1.04 0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 32.80 2wey h LYS 753 CO 0.07 0.34 0.62 0.00 -2.27 0.00 0.00 179.45 178.21 2wey h ALA 754 N 0.19 1.50 -0.77 5.00 0.00 -1.35 -1.58 119.26 122.24 2wey h ALA 754 Ca -0.01 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2wey h ALA 754 Cb 0.51 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 2wey h ALA 754 CO 0.02 0.20 0.36 0.00 0.00 0.00 0.00 179.25 179.83 2wey h ARG 756 N 1.10 0.49 -0.70 0.00 3.08 -1.09 -1.97 114.38 115.28 2wey h ARG 756 Ca 0.26 -0.19 0.15 0.00 0.07 0.00 0.00 59.98 60.27 2wey h ARG 756 Cb 0.13 -0.03 -0.10 0.00 0.08 0.00 0.00 29.97 30.05 2wey h ARG 756 CO -0.03 0.71 0.17 -0.44 -1.07 0.00 0.00 179.97 179.31 2wey h ASP 757 N 0.23 0.01 0.81 7.04 5.19 -1.12 -0.20 116.42 128.38 2wey h ASP 757 Ca 0.06 0.14 -0.01 0.00 -0.62 0.00 0.00 57.03 56.60 2wey h ASP 757 Cb 0.53 0.18 -0.00 0.00 0.18 0.00 0.00 39.33 40.23 2wey h ASP 757 CO 0.03 -0.02 -0.03 0.78 -3.12 0.00 0.00 179.24 176.88 2wey h ASN 758 N 0.27 0.00 0.01 6.45 2.35 -1.03 -2.55 115.58 121.08 2wey h ASN 758 Ca 0.39 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.97 2wey h ASN 758 Cb 0.64 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.02 2wey h ASN 758 CO -0.48 0.03 -0.67 0.25 -1.65 0.00 0.00 177.43 174.91 2wey h LEU 759 N 0.00 0.58 -0.77 1.61 5.85 -0.31 -2.78 115.31 119.48 2wey h LEU 759 Ca -0.00 -0.77 0.10 0.00 0.84 0.00 0.00 57.88 58.05 2wey h LEU 759 Cb 0.44 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 41.22 2wey h LEU 759 CO 0.00 1.27 0.41 0.28 -0.34 0.00 0.00 178.44 180.07 2wey h SER 760 N -0.06 0.57 -0.27 1.25 0.02 -0.96 0.13 113.55 114.23 2wey h SER 760 Ca -0.09 0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 60.92 2wey h SER 760 Cb 1.38 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.86 2wey h SER 760 CO 0.13 0.32 0.15 1.56 -1.14 0.00 0.00 176.83 177.85 2wey h GLN 761 N 0.69 0.38 -0.38 3.45 1.08 -1.52 0.17 115.11 118.98 2wey h GLN 761 Ca 0.38 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.52 2wey h GLN 761 Cb 0.38 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.72 2wey h GLN 761 CO -0.26 0.32 0.17 -1.49 -0.95 0.00 0.00 178.83 176.62 2wey h TRP 762 N 0.33 0.56 -0.63 2.96 4.06 -1.13 0.72 115.95 122.82 2wey h TRP 762 Ca 0.10 -0.04 0.09 0.00 2.06 0.00 0.00 58.89 61.10 2wey h TRP 762 Cb 0.05 -0.17 -0.07 0.00 -1.00 0.00 0.00 29.16 27.97 2wey h TRP 762 CO -0.04 0.49 0.28 0.93 -3.56 0.00 0.00 178.44 176.55 2wey h GLU 763 N 0.47 0.49 -0.64 0.49 5.08 -0.84 -1.08 114.58 118.55 2wey h GLU 763 Ca 0.13 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.49 2wey h GLU 763 Cb 0.15 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 2wey h GLU 763 CO -0.01 0.32 0.42 0.87 -1.00 0.00 0.00 179.01 179.61 2wey h LYS 764 N 0.50 0.77 -0.06 2.33 1.57 -0.10 -1.41 116.57 120.16 2wey h LYS 764 Ca 0.31 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 59.04 2wey h LYS 764 Cb 0.33 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 2wey h LYS 764 CO -0.27 0.51 0.01 0.28 -0.57 0.00 0.00 179.45 179.41 2wey h VAL 765 N 0.79 1.20 -0.46 0.50 2.07 0.31 -1.06 116.25 119.61 2wey h VAL 765 Ca 0.25 -0.61 0.09 0.00 0.82 0.00 0.00 66.70 67.25 2wey h VAL 765 Cb 0.03 1.49 -0.08 0.00 -1.52 0.00 0.00 31.29 31.21 2wey h VAL 765 CO -0.07 0.17 -0.03 0.40 0.02 0.00 0.00 177.57 178.07 2wey h ILE 766 N -0.12 0.62 0.00 4.57 2.04 -0.88 -0.74 117.51 123.00 2wey h ILE 766 Ca 0.02 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.85 2wey h ILE 766 Cb 0.26 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 2wey h ILE 766 CO 0.00 0.01 0.00 0.54 0.00 0.00 0.00 178.15 178.71 2wey n ARG 767 N -5.25 0.66 -3.58 2.37 1.74 -0.57 -4.82 116.66 107.22 2wey n ARG 767 Ca 0.04 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.88 2wey n ARG 767 Cb 0.25 -1.30 0.05 0.00 -1.02 0.00 0.00 32.46 30.43 2wey n ARG 767 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wey n GLY 768 N 0.27 -0.83 2.40 -0.13 0.00 -0.28 -4.95 105.19 101.67 2wey n GLY 768 Ca 0.00 0.39 -0.17 0.00 0.00 0.00 0.00 46.02 46.24 2wey n GLY 768 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wey n GLU 769 N -3.97 2.81 0.00 1.61 1.02 -0.41 -5.03 120.64 116.67 2wey n GLU 769 Ca -0.15 -3.98 0.00 0.00 -0.02 0.00 0.00 57.16 53.01 2wey n GLU 769 Cb 0.62 -1.98 0.00 0.00 -0.02 0.00 0.00 31.44 30.07 2wey n GLU 769 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40