#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hr1 n LEU 454 N 0.00 4.05 -4.62 1.20 4.77 -1.26 -4.95 117.00 116.18 3hr1 n LEU 454 Ca 0.00 1.08 -0.39 0.00 -0.03 0.00 0.00 56.01 56.66 3hr1 n LEU 454 Cb 0.00 -1.58 0.03 0.00 -2.33 0.00 0.00 43.42 39.55 3hr1 n LEU 454 CO 0.00 0.17 0.60 -2.65 -1.33 0.00 0.00 177.39 174.18 3hr1 n PRO 455 N 3.61 1.21 -0.35 3.23 -0.02 -1.26 -4.76 135.00 136.66 3hr1 n PRO 455 Ca 0.15 0.45 0.03 0.00 -2.02 0.00 0.00 63.50 62.11 3hr1 n PRO 455 Cb 0.35 -2.15 0.18 0.00 -0.02 0.00 0.00 33.50 31.86 3hr1 n PRO 455 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hr1 h ALA 456 N 1.10 1.37 -0.76 3.55 0.00 -1.99 -0.64 119.26 121.88 3hr1 h ALA 456 Ca -0.47 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 3hr1 h ALA 456 Cb 1.34 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 3hr1 h ALA 456 CO 0.54 0.35 0.47 -0.09 0.00 0.00 0.00 179.25 180.52 3hr1 h ARG 457 N 1.08 1.03 -0.20 0.00 2.43 -2.00 -1.76 114.38 114.96 3hr1 h ARG 457 Ca 0.43 -0.09 -0.08 0.00 -0.81 0.00 0.00 59.98 59.43 3hr1 h ARG 457 Cb 0.24 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.57 3hr1 h ARG 457 CO -0.20 0.72 -0.19 0.82 -1.51 0.00 0.00 179.97 179.61 3hr1 h ILE 458 N 1.04 1.33 -0.99 1.20 2.04 -1.77 0.95 117.51 121.32 3hr1 h ILE 458 Ca 0.27 -1.35 0.20 0.00 1.00 0.00 0.00 64.86 64.98 3hr1 h ILE 458 Cb -0.05 1.75 -0.10 0.00 -0.74 0.00 0.00 36.82 37.68 3hr1 h ILE 458 CO -0.05 0.41 0.62 0.00 0.00 0.00 0.00 178.15 179.12 3hr1 h ARG 460 N 0.66 -0.09 0.00 0.00 2.43 -1.15 -3.39 114.38 112.85 3hr1 h ARG 460 Ca 0.56 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.74 3hr1 h ARG 460 Cb 1.01 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 3hr1 h ARG 460 CO -0.33 0.41 0.00 -0.44 -1.51 0.00 0.00 179.97 178.09 3hr1 h ASP 461 N -0.94 0.00 0.06 -3.80 3.32 -0.41 -3.01 116.42 111.64 3hr1 h ASP 461 Ca -0.01 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 3hr1 h ASP 461 Cb 0.54 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.09 3hr1 h ASP 461 CO 0.02 0.00 -0.02 -0.29 -1.72 0.00 0.00 179.24 177.23 3hr1 h ILE 462 N 0.00 0.45 0.00 0.35 2.10 -0.71 -1.52 117.51 118.17 3hr1 h ILE 462 Ca 0.00 -0.08 0.00 0.00 1.08 0.00 0.00 64.86 65.86 3hr1 h ILE 462 Cb 0.79 1.05 0.00 0.00 -1.09 0.00 0.00 36.82 37.57 3hr1 h ILE 462 CO 0.00 0.02 0.00 -0.62 -1.08 0.00 0.00 178.15 176.47 3hr1 n GLU 463 N -3.70 0.18 -2.70 2.19 -0.58 -1.14 -4.80 120.64 110.09 3hr1 n GLU 463 Ca -0.03 0.24 -0.40 0.00 -0.42 0.00 0.00 57.16 56.54 3hr1 n GLU 463 Cb 0.10 -1.74 -0.05 0.00 -0.57 0.00 0.00 31.44 29.18 3hr1 n GLU 463 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3hr1 s LEU 464 N -4.12 4.59 0.35 -4.62 1.43 -0.57 -4.95 118.68 110.78 3hr1 s LEU 464 Ca 0.09 1.94 0.03 0.00 -1.03 0.00 0.00 54.13 55.17 3hr1 s LEU 464 Cb 0.12 -3.60 0.66 0.00 0.03 0.00 0.00 46.19 43.40 3hr1 s LEU 464 CO 0.50 0.04 1.99 -0.26 0.23 0.00 0.00 176.35 178.85 3hr1 h PHE 465 N 4.59 0.81 -0.32 0.29 0.04 -1.87 -2.44 116.94 118.03 3hr1 h PHE 465 Ca -0.44 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.34 3hr1 h PHE 465 Cb 1.20 -0.27 0.00 0.00 2.20 0.00 0.00 35.95 39.08 3hr1 h PHE 465 CO 0.62 0.48 0.00 -2.39 -0.60 0.00 0.00 178.31 176.42 3hr1 n HIS 466 N -4.45 0.73 -1.65 -0.55 1.44 -1.26 -4.90 115.22 104.57 3hr1 n HIS 466 Ca 0.08 -0.29 -0.43 0.00 -2.01 0.00 0.00 57.72 55.07 3hr1 n HIS 466 Cb 0.11 -0.14 -0.01 0.00 0.12 0.00 0.00 29.99 30.07 3hr1 n HIS 466 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 3hr1 n PHE 467 N 0.43 1.81 -4.91 -1.40 7.35 -0.92 -4.61 117.46 115.21 3hr1 n PHE 467 Ca 0.13 0.62 -0.33 0.00 -0.76 0.00 0.00 57.45 57.11 3hr1 n PHE 467 Cb 0.49 -2.34 -0.14 0.00 0.35 0.00 0.00 39.48 37.85 3hr1 n PHE 467 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 3hr1 s ASP 468 N -0.43 3.90 0.00 -2.13 2.15 -1.26 -5.04 116.67 113.85 3hr1 s ASP 468 Ca 0.57 -0.27 0.31 0.00 0.43 0.00 0.00 52.55 53.59 3hr1 s ASP 468 Cb -0.62 -1.05 1.76 0.00 -0.30 0.00 0.00 42.92 42.71 3hr1 s ASP 468 CO 0.61 0.28 2.15 2.30 -0.17 0.00 0.00 175.17 180.34 3hr1 n ILE 469 N 2.73 0.00 -0.20 4.11 -5.35 -1.26 -5.01 119.36 114.38 3hr1 n ILE 469 Ca -0.17 -0.04 0.03 0.00 -0.27 0.00 0.00 62.75 62.30 3hr1 n ILE 469 Cb 0.52 -0.35 -0.01 0.00 -1.74 0.00 0.00 39.64 38.06 3hr1 n ILE 469 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hr1 n GLY 470 N 1.02 -1.97 0.32 3.28 0.00 -1.26 -4.66 105.19 101.92 3hr1 n GLY 470 Ca 0.23 -1.45 0.14 0.00 0.00 0.00 0.00 46.02 44.94 3hr1 n GLY 470 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hr1 n PRO 471 N -2.61 1.25 -2.92 1.61 -0.04 -1.26 -4.78 135.00 126.24 3hr1 n PRO 471 Ca -0.00 -0.65 -0.43 0.00 -0.04 0.00 0.00 63.50 62.37 3hr1 n PRO 471 Cb 0.09 -1.49 -0.04 0.00 -0.04 0.00 0.00 33.50 32.03 3hr1 n PRO 471 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3hr1 s PHE 472 N -2.20 2.76 0.36 0.54 0.08 -1.26 -4.91 117.98 113.36 3hr1 s PHE 472 Ca 0.34 -0.68 0.06 0.00 0.12 0.00 0.00 56.93 56.77 3hr1 s PHE 472 Cb 0.20 -4.23 0.69 0.00 -0.57 0.00 0.00 43.02 39.12 3hr1 s PHE 472 CO 0.41 -1.56 1.92 0.93 -0.10 0.00 0.00 175.22 176.82 3hr1 h GLU 473 N 9.45 0.48 0.00 0.44 5.08 -1.95 -2.04 114.58 126.04 3hr1 h GLU 473 Ca -0.27 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 3hr1 h GLU 473 Cb 1.07 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.24 3hr1 h GLU 473 CO 1.16 0.48 0.00 0.27 -1.00 0.00 0.00 179.01 179.92 3hr1 n ASN 474 N -4.32 0.38 0.14 1.42 2.04 -1.26 -2.27 115.26 111.39 3hr1 n ASN 474 Ca 0.01 0.58 0.11 0.00 -0.44 0.00 0.00 54.58 54.84 3hr1 n ASN 474 Cb 0.21 -0.67 0.05 0.00 -2.53 0.00 0.00 39.78 36.83 3hr1 n ASN 474 CO 0.00 0.00 0.00 0.24 -0.44 0.00 0.00 177.26 177.06 3hr1 h MET 475 N 0.00 0.00 -0.55 -3.83 2.86 -1.77 -3.39 114.93 108.24 3hr1 h MET 475 Ca 0.00 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 3hr1 h MET 475 Cb 0.37 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.00 3hr1 h MET 475 CO 0.00 0.04 0.24 -1.49 1.06 0.00 0.00 176.91 176.76 3hr1 h TRP 476 N 0.00 0.82 -0.68 -0.22 6.55 -1.51 -1.70 115.95 119.21 3hr1 h TRP 476 Ca -0.01 -0.05 0.06 0.00 0.95 0.00 0.00 58.89 59.84 3hr1 h TRP 476 Cb 1.05 -0.25 -0.06 0.00 -0.86 0.00 0.00 29.16 29.05 3hr1 h TRP 476 CO 0.00 0.65 0.38 -1.35 -1.05 0.00 0.00 178.44 177.07 3hr1 h PRO 477 N 0.75 0.67 -0.45 0.49 0.11 -1.76 0.12 132.00 131.92 3hr1 h PRO 477 Ca 0.19 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 66.19 3hr1 h PRO 477 Cb 0.17 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.10 3hr1 h PRO 477 CO -0.02 0.44 -0.01 0.78 -0.21 0.00 0.00 178.00 178.99 3hr1 h GLY 478 N 0.69 0.80 0.99 -0.55 0.00 -1.75 -0.38 103.07 102.87 3hr1 h GLY 478 Ca 0.31 -0.52 -0.00 0.00 0.00 0.00 0.00 47.33 47.11 3hr1 h GLY 478 CO -0.19 0.49 0.29 -2.22 0.00 0.00 0.00 176.54 174.90 3hr1 h ILE 479 N 0.69 1.15 -0.14 2.60 2.04 -0.76 -0.42 117.51 122.68 3hr1 h ILE 479 Ca 0.14 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 3hr1 h ILE 479 Cb 0.43 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 3hr1 h ILE 479 CO 0.02 0.15 0.04 0.15 0.00 0.00 0.00 178.15 178.51 3hr1 h PHE 480 N 0.63 0.22 -0.73 1.37 3.57 -0.50 -1.87 116.94 119.63 3hr1 h PHE 480 Ca 0.17 -0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.73 3hr1 h PHE 480 Cb -0.01 -0.06 -0.06 0.00 2.79 0.00 0.00 35.95 38.60 3hr1 h PHE 480 CO -0.03 0.33 0.40 0.28 -2.23 0.00 0.00 178.31 177.06 3hr1 h VAL 481 N 0.04 0.92 -0.43 1.41 2.07 -0.95 0.13 116.25 119.44 3hr1 h VAL 481 Ca 0.04 -0.24 0.02 0.00 0.82 0.00 0.00 66.70 67.35 3hr1 h VAL 481 Cb 0.22 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.11 3hr1 h VAL 481 CO -0.00 0.13 0.24 0.22 0.02 0.00 0.00 177.57 178.18 3hr1 h TYR 482 N 0.70 0.45 -0.43 1.57 3.20 -0.90 0.17 116.97 121.73 3hr1 h TYR 482 Ca 0.34 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.20 3hr1 h TYR 482 Cb 0.28 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 3hr1 h TYR 482 CO -0.08 0.25 0.16 0.52 -1.64 0.00 0.00 178.16 177.37 3hr1 h MET 483 N 0.48 0.66 -0.25 1.82 2.86 -0.65 0.03 114.93 119.88 3hr1 h MET 483 Ca 0.18 -0.13 0.05 0.00 -2.06 0.00 0.00 59.70 57.74 3hr1 h MET 483 Cb 0.04 -0.10 -0.05 0.00 0.06 0.00 0.00 31.60 31.55 3hr1 h MET 483 CO -0.10 0.62 -0.06 0.82 1.06 0.00 0.00 176.91 179.25 3hr1 h ILE 484 N 0.56 0.75 -0.69 -1.22 1.08 -0.59 -0.76 117.51 116.63 3hr1 h ILE 484 Ca 0.14 -0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.60 3hr1 h ILE 484 Cb 0.22 0.75 -0.03 0.00 -3.07 0.00 0.00 36.82 34.69 3hr1 h ILE 484 CO -0.01 0.00 0.40 0.45 -0.69 0.00 0.00 178.15 178.30 3hr1 h HIS 485 N 0.00 0.93 -0.38 1.37 3.86 -0.36 0.34 115.15 120.91 3hr1 h HIS 485 Ca 0.12 -0.01 -0.16 0.00 -1.16 0.00 0.00 60.37 59.16 3hr1 h HIS 485 Cb 0.18 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.35 3hr1 h HIS 485 CO -0.25 0.64 -0.39 0.00 0.86 0.00 0.00 177.93 178.79 3hr1 h ARG 486 N 0.95 0.94 0.04 2.45 3.08 -0.77 0.12 114.38 121.18 3hr1 h ARG 486 Ca 0.25 -0.50 -0.26 0.00 0.07 0.00 0.00 59.98 59.54 3hr1 h ARG 486 Cb -0.00 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 3hr1 h ARG 486 CO -0.04 1.15 -1.29 0.77 -1.07 0.00 0.00 179.97 179.49 3hr1 h SER 487 N 0.77 0.13 0.00 7.04 0.02 -0.93 -3.40 113.55 117.18 3hr1 h SER 487 Ca 0.06 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 3hr1 h SER 487 Cb 0.99 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.48 3hr1 h SER 487 CO 0.10 1.14 -0.10 0.00 -1.14 0.00 0.00 176.83 176.83 3hr1 n GLY 489 N 1.08 0.15 0.24 0.00 0.00 0.03 -4.26 105.19 102.43 3hr1 n GLY 489 Ca 0.00 -1.62 0.13 0.00 0.00 0.00 0.00 46.02 44.54 3hr1 n GLY 489 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3hr1 h THR 490 N 0.00 0.23 -0.06 2.61 1.35 -1.89 -2.84 112.91 112.31 3hr1 h THR 490 Ca 0.00 -0.90 0.00 0.00 -0.55 0.00 0.00 66.41 64.96 3hr1 h THR 490 Cb 0.00 1.74 0.00 0.00 -1.73 0.00 0.00 68.15 68.16 3hr1 h THR 490 CO 0.00 0.10 0.00 -1.20 -0.25 0.00 0.00 175.52 174.17 3hr1 n SER 491 N -3.20 1.68 0.03 5.36 7.64 -1.26 -4.37 113.62 119.50 3hr1 n SER 491 Ca 0.01 -1.59 -0.12 0.00 1.01 0.00 0.00 58.87 58.18 3hr1 n SER 491 Cb 0.41 -0.03 -0.08 0.00 -1.01 0.00 0.00 64.21 63.51 3hr1 n SER 491 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hr1 s PHE 493 N -5.83 1.95 -0.06 0.00 0.08 -1.26 -5.04 117.98 107.82 3hr1 s PHE 493 Ca -0.14 -0.39 -0.30 0.00 0.12 0.00 0.00 56.93 56.23 3hr1 s PHE 493 Cb 0.05 -1.14 -0.07 0.00 -0.57 0.00 0.00 43.02 41.30 3hr1 s PHE 493 CO 0.66 0.14 1.86 -2.00 -0.10 0.00 0.00 175.22 175.77 3hr1 s GLU 494 N -1.37 3.98 0.22 0.44 2.56 -1.26 -4.91 118.70 118.36 3hr1 s GLU 494 Ca 0.09 2.28 -0.08 0.00 0.00 0.00 0.00 54.97 57.26 3hr1 s GLU 494 Cb -0.09 -4.12 0.35 0.00 2.00 0.00 0.00 34.13 32.27 3hr1 s GLU 494 CO 0.03 -1.11 1.70 1.25 -0.56 0.00 0.00 175.26 176.56 3hr1 h LEU 495 N 11.21 0.01 -0.36 2.70 5.85 -1.99 0.47 115.31 133.20 3hr1 h LEU 495 Ca -0.43 0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.38 3hr1 h LEU 495 Cb 1.21 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.39 3hr1 h LEU 495 CO 0.96 -0.00 0.09 -0.08 -0.34 0.00 0.00 178.44 179.07 3hr1 h GLU 496 N 0.27 0.57 -0.43 1.25 4.81 -1.99 -0.23 114.58 118.82 3hr1 h GLU 496 Ca 0.35 -0.13 0.01 0.00 -0.13 0.00 0.00 59.36 59.46 3hr1 h GLU 496 Cb 0.55 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.83 3hr1 h GLU 496 CO -0.44 0.61 0.28 0.87 -0.73 0.00 0.00 179.01 179.59 3hr1 h LYS 497 N 0.43 0.55 -0.40 1.92 1.57 -1.67 -1.62 116.57 117.34 3hr1 h LYS 497 Ca 0.11 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.89 3hr1 h LYS 497 Cb 0.29 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 3hr1 h LYS 497 CO -0.00 0.36 0.20 1.25 -0.57 0.00 0.00 179.45 180.69 3hr1 h LEU 498 N 0.56 0.30 -0.47 2.94 5.85 -0.68 -0.67 115.31 123.14 3hr1 h LEU 498 Ca 0.16 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.86 3hr1 h LEU 498 Cb -0.04 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 3hr1 h LEU 498 CO -0.05 0.22 0.13 0.00 -0.34 0.00 0.00 178.44 178.40 3hr1 h ARG 500 N 0.63 0.63 0.21 0.00 2.43 -1.10 -1.35 114.38 115.82 3hr1 h ARG 500 Ca 0.15 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3hr1 h ARG 500 Cb 0.30 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 3hr1 h ARG 500 CO -0.00 0.42 -0.14 0.35 -1.51 0.00 0.00 179.97 179.09 3hr1 h PHE 501 N 0.65 -0.36 -0.66 2.20 3.57 -0.85 -1.76 116.94 119.73 3hr1 h PHE 501 Ca 0.21 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.77 3hr1 h PHE 501 Cb -0.01 0.13 -0.06 0.00 2.79 0.00 0.00 35.95 38.81 3hr1 h PHE 501 CO -0.06 -0.22 0.35 0.82 -2.23 0.00 0.00 178.31 176.97 3hr1 h ILE 502 N -0.34 0.92 -0.22 1.41 2.04 -0.83 -0.43 117.51 120.06 3hr1 h ILE 502 Ca -0.02 -0.22 -0.12 0.00 1.00 0.00 0.00 64.86 65.51 3hr1 h ILE 502 Cb 0.30 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 3hr1 h ILE 502 CO 0.01 0.11 -0.36 0.24 0.00 0.00 0.00 178.15 178.15 3hr1 h MET 503 N 0.63 0.48 -0.15 2.37 2.86 -1.13 -0.63 114.93 119.36 3hr1 h MET 503 Ca 0.30 -0.22 -0.13 0.00 -2.06 0.00 0.00 59.70 57.59 3hr1 h MET 503 Cb 0.24 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 3hr1 h MET 503 CO -0.21 0.78 -0.48 0.77 1.06 0.00 0.00 176.91 178.83 3hr1 h SER 504 N 0.41 0.43 0.23 1.22 0.02 -0.75 -1.88 113.55 113.23 3hr1 h SER 504 Ca 0.04 -0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 60.77 3hr1 h SER 504 Cb 0.82 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.24 3hr1 h SER 504 CO 0.07 0.85 -0.11 0.58 -1.14 0.00 0.00 176.83 177.07 3hr1 h VAL 505 N 0.32 0.80 -0.67 2.27 2.07 -0.82 -2.70 116.25 117.52 3hr1 h VAL 505 Ca 0.02 -0.17 0.14 0.00 0.82 0.00 0.00 66.70 67.51 3hr1 h VAL 505 Cb 0.96 0.90 -0.12 0.00 -1.52 0.00 0.00 31.29 31.52 3hr1 h VAL 505 CO 0.08 0.04 -0.03 0.50 0.02 0.00 0.00 177.57 178.18 3hr1 h LYS 506 N -0.39 0.09 -0.03 1.57 3.64 -1.07 -0.84 116.57 119.53 3hr1 h LYS 506 Ca -0.03 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.35 3hr1 h LYS 506 Cb 0.30 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.10 3hr1 h LYS 506 CO 0.05 0.06 0.03 -0.22 -2.27 0.00 0.00 179.45 177.10 3hr1 h LYS 507 N 0.09 0.00 -0.38 1.90 3.64 -1.21 -2.38 116.57 118.23 3hr1 h LYS 507 Ca 0.35 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.73 3hr1 h LYS 507 Cb 0.58 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 3hr1 h LYS 507 CO -0.60 0.00 0.00 0.09 -2.27 0.00 0.00 179.45 176.67 3hr1 n ASN 508 N -4.48 3.20 -4.83 4.20 3.02 -0.35 -4.82 115.26 111.22 3hr1 n ASN 508 Ca -0.02 -1.96 -0.35 0.00 -0.03 0.00 0.00 54.58 52.22 3hr1 n ASN 508 Cb 0.12 -0.24 -0.06 0.00 -0.61 0.00 0.00 39.78 38.99 3hr1 n ASN 508 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3hr1 s TYR 509 N -1.51 3.58 0.36 3.10 1.51 -0.90 -1.06 117.35 122.43 3hr1 s TYR 509 Ca 0.38 1.31 0.05 0.00 -1.01 0.00 0.00 57.07 57.81 3hr1 s TYR 509 Cb 0.22 -2.57 -0.01 0.00 -0.11 0.00 0.00 41.96 39.49 3hr1 s TYR 509 CO 0.31 0.29 0.51 1.03 -1.11 0.00 0.00 175.55 176.58 3hr1 s ARG 510 N -2.21 3.12 -1.33 -0.62 0.52 -1.26 -4.90 118.95 112.27 3hr1 s ARG 510 Ca 0.45 -0.88 -0.08 0.00 -0.52 0.00 0.00 55.73 54.69 3hr1 s ARG 510 Cb -0.15 -2.76 0.13 0.00 0.52 0.00 0.00 34.95 32.68 3hr1 s ARG 510 CO 0.20 0.00 2.14 0.54 0.02 0.00 0.00 175.30 178.20 3hr1 n ARG 511 N -1.73 3.93 -3.81 3.54 1.74 -1.26 -4.50 116.66 114.57 3hr1 n ARG 511 Ca -0.00 -3.37 -0.21 0.00 -0.77 0.00 0.00 57.85 53.51 3hr1 n ARG 511 Cb 0.58 -2.83 -0.02 0.00 -1.02 0.00 0.00 32.46 29.16 3hr1 n ARG 511 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3hr1 s VAL 512 N 0.11 4.38 0.27 1.55 -7.23 -1.26 -5.04 120.40 113.17 3hr1 s VAL 512 Ca 0.47 -1.15 -0.04 0.00 -1.81 0.00 0.00 61.98 59.45 3hr1 s VAL 512 Cb 0.14 -3.49 0.21 0.00 0.56 0.00 0.00 36.38 33.80 3hr1 s VAL 512 CO -0.04 -0.25 1.88 -0.65 -0.31 0.00 0.00 175.10 175.74 3hr1 h PRO 513 N 1.16 1.09 0.00 4.82 0.11 -1.92 -3.41 132.00 133.85 3hr1 h PRO 513 Ca -0.48 -0.13 0.00 0.00 0.11 0.00 0.00 66.00 65.50 3hr1 h PRO 513 Cb 1.24 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3hr1 h PRO 513 CO 0.58 0.81 -0.44 0.98 -0.21 0.00 0.00 178.00 179.71 3hr1 n TYR 514 N -4.34 -0.13 -1.35 0.65 9.36 -1.26 -4.83 117.16 115.26 3hr1 n TYR 514 Ca 0.08 0.02 -0.38 0.00 3.32 0.00 0.00 57.90 60.94 3hr1 n TYR 514 Cb 0.11 0.05 -0.02 0.00 -0.63 0.00 0.00 39.34 38.85 3hr1 n TYR 514 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 3hr1 n HIS 515 N -3.23 2.55 -4.33 2.98 8.25 -1.26 -4.36 115.22 115.81 3hr1 n HIS 515 Ca 0.00 -2.98 -0.15 0.00 -0.26 0.00 0.00 57.72 54.34 3hr1 n HIS 515 Cb 0.22 -2.44 -0.03 0.00 1.12 0.00 0.00 29.99 28.86 3hr1 n HIS 515 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3hr1 n ASN 516 N 4.17 2.38 -0.34 0.41 0.23 -1.26 -4.60 115.26 116.24 3hr1 n ASN 516 Ca 0.71 -2.04 0.05 0.00 -0.53 0.00 0.00 54.58 52.77 3hr1 n ASN 516 Cb 0.26 0.22 0.21 0.00 -2.08 0.00 0.00 39.78 38.39 3hr1 n ASN 516 CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 3hr1 h TRP 517 N 1.16 1.08 -0.81 -2.53 -0.00 -1.88 -1.68 115.95 111.28 3hr1 h TRP 517 Ca -0.19 0.03 -0.01 0.00 -0.00 0.00 0.00 58.89 58.72 3hr1 h TRP 517 Cb 0.60 -0.34 -0.04 0.00 -0.00 0.00 0.00 29.16 29.38 3hr1 h TRP 517 CO 0.00 0.45 0.46 -0.22 -0.00 0.00 0.00 178.44 179.13 3hr1 h LYS 518 N 0.97 1.12 -0.59 2.65 3.64 -1.97 -2.09 116.57 120.31 3hr1 h LYS 518 Ca 0.46 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.72 3hr1 h LYS 518 Cb 0.40 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 31.97 3hr1 h LYS 518 CO -0.25 0.81 0.38 1.25 -2.27 0.00 0.00 179.45 179.38 3hr1 h HIS 519 N 1.12 0.76 0.07 1.91 2.76 -1.53 -1.20 115.15 119.04 3hr1 h HIS 519 Ca 0.29 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.47 3hr1 h HIS 519 Cb 0.01 -0.25 -0.00 0.00 1.55 0.00 0.00 27.41 28.71 3hr1 h HIS 519 CO 0.00 0.49 -0.05 0.00 -1.30 0.00 0.00 177.93 177.07 3hr1 h ALA 520 N 1.20 -0.11 -0.50 5.26 0.00 -0.86 0.80 119.26 125.05 3hr1 h ALA 520 Ca 0.22 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 3hr1 h ALA 520 Cb -0.07 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3hr1 h ALA 520 CO -0.04 -0.57 0.11 0.28 0.00 0.00 0.00 179.25 179.03 3hr1 h VAL 521 N -0.13 1.21 -0.37 0.00 2.07 -1.35 -0.77 116.25 116.92 3hr1 h VAL 521 Ca -0.00 -0.78 -0.02 0.00 0.82 0.00 0.00 66.70 66.72 3hr1 h VAL 521 Cb 0.12 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 3hr1 h VAL 521 CO -0.01 0.29 0.14 0.74 0.02 0.00 0.00 177.57 178.75 3hr1 h THR 522 N 0.73 1.20 -0.28 2.57 2.02 -0.73 0.85 112.91 119.27 3hr1 h THR 522 Ca 0.16 -0.62 -0.02 0.00 0.77 0.00 0.00 66.41 66.70 3hr1 h THR 522 Cb 0.28 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 3hr1 h THR 522 CO -0.00 0.22 0.11 0.58 0.37 0.00 0.00 175.52 176.80 3hr1 h VAL 523 N 0.45 1.17 -0.97 3.16 2.07 -0.59 -1.63 116.25 119.91 3hr1 h VAL 523 Ca 0.12 -0.53 0.10 0.00 0.82 0.00 0.00 66.70 67.22 3hr1 h VAL 523 Cb 0.21 1.01 -0.07 0.00 -1.52 0.00 0.00 31.29 30.92 3hr1 h VAL 523 CO -0.01 0.18 0.62 0.00 0.02 0.00 0.00 177.57 178.38 3hr1 h ALA 524 N 0.96 1.54 -0.55 1.67 0.00 -0.94 -1.95 119.26 119.99 3hr1 h ALA 524 Ca 0.09 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3hr1 h ALA 524 Cb 0.18 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3hr1 h ALA 524 CO -0.01 0.26 0.16 1.25 0.00 0.00 0.00 179.25 180.90 3hr1 h HIS 525 N 1.00 0.90 -0.75 0.00 6.17 -0.29 -0.51 115.15 121.67 3hr1 h HIS 525 Ca 0.46 -0.10 -0.00 0.00 0.71 0.00 0.00 60.37 61.44 3hr1 h HIS 525 Cb 0.40 -0.26 -0.04 0.00 2.52 0.00 0.00 27.41 30.03 3hr1 h HIS 525 CO -0.00 0.77 0.46 0.00 0.71 0.00 0.00 177.93 179.87 3hr1 h MET 527 N 1.02 0.32 -0.49 0.00 -1.53 -1.02 -0.43 114.93 112.81 3hr1 h MET 527 Ca 0.27 -0.02 0.10 0.00 -3.44 0.00 0.00 59.70 56.61 3hr1 h MET 527 Cb -0.04 -0.07 -0.10 0.00 -0.55 0.00 0.00 31.60 30.84 3hr1 h MET 527 CO -0.05 0.21 -0.15 -0.92 0.14 0.00 0.00 176.91 176.15 3hr1 h TYR 528 N 0.33 -0.33 -0.89 1.39 3.20 -0.62 0.31 116.97 120.36 3hr1 h TYR 528 Ca 0.10 0.05 0.00 0.00 3.14 0.00 0.00 58.73 62.02 3hr1 h TYR 528 Cb -0.02 0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.43 3hr1 h TYR 528 CO -0.07 -0.24 0.57 0.00 -1.64 0.00 0.00 178.16 176.78 3hr1 h ALA 529 N 1.43 1.13 0.04 1.82 0.00 -0.58 0.10 119.26 123.19 3hr1 h ALA 529 Ca 0.24 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3hr1 h ALA 529 Cb 0.39 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3hr1 h ALA 529 CO -0.52 0.55 -0.02 0.82 0.00 0.00 0.00 179.25 180.08 3hr1 h ILE 530 N 1.21 1.02 -0.40 0.00 2.04 -0.46 -2.40 117.51 118.52 3hr1 h ILE 530 Ca 0.32 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.97 3hr1 h ILE 530 Cb -0.10 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 3hr1 h ILE 530 CO -0.07 0.05 0.16 -0.07 0.00 0.00 0.00 178.15 178.22 3hr1 h LEU 531 N -0.14 0.56 -1.88 1.44 3.38 -0.59 -2.17 115.31 115.90 3hr1 h LEU 531 Ca -0.01 -0.17 0.05 0.00 0.09 0.00 0.00 57.88 57.85 3hr1 h LEU 531 Cb 0.12 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3hr1 h LEU 531 CO 0.01 0.57 0.19 1.56 0.09 0.00 0.00 178.44 180.86 3hr1 h GLN 532 N 0.50 0.15 -0.24 1.13 1.08 -0.81 -2.28 115.11 114.64 3hr1 h GLN 532 Ca 0.13 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.33 3hr1 h GLN 532 Cb 0.19 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.59 3hr1 h GLN 532 CO -0.01 0.10 0.00 0.09 -0.95 0.00 0.00 178.83 178.06 3hr1 n ASN 533 N -4.48 2.80 -2.75 1.46 3.02 -0.87 -4.24 115.26 110.19 3hr1 n ASN 533 Ca 0.03 -1.89 -0.18 0.00 -0.03 0.00 0.00 54.58 52.50 3hr1 n ASN 533 Cb 0.24 -0.15 -0.00 0.00 -0.61 0.00 0.00 39.78 39.26 3hr1 n ASN 533 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3hr1 n ASN 534 N 1.09 2.71 -4.70 6.41 3.02 -0.86 -4.71 115.26 118.22 3hr1 n ASN 534 Ca 0.18 -3.20 -0.43 0.00 -0.03 0.00 0.00 54.58 51.09 3hr1 n ASN 534 Cb 0.52 -0.53 -0.02 0.00 -0.61 0.00 0.00 39.78 39.14 3hr1 n ASN 534 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3hr1 n ASN 535 N -0.14 3.16 0.00 6.41 2.85 -1.23 -2.48 115.26 123.83 3hr1 n ASN 535 Ca 0.24 1.15 0.00 0.00 -0.11 0.00 0.00 54.58 55.86 3hr1 n ASN 535 Cb 0.68 -1.49 0.00 0.00 1.24 0.00 0.00 39.78 40.21 3hr1 n ASN 535 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3hr1 n GLY 536 N 2.02 1.83 0.12 8.20 0.00 -1.26 -4.90 105.19 111.20 3hr1 n GLY 536 Ca 0.10 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.93 3hr1 n GLY 536 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hr1 h LEU 537 N 0.00 0.45 -9.16 0.99 3.38 -1.86 -3.46 115.31 105.64 3hr1 h LEU 537 Ca 0.00 -0.64 -0.68 0.00 0.09 0.00 0.00 57.88 56.65 3hr1 h LEU 537 Cb 0.00 -0.15 -0.18 0.00 0.09 0.00 0.00 40.66 40.43 3hr1 h LEU 537 CO 0.00 1.54 -0.68 -0.36 0.09 0.00 0.00 178.44 179.03 3hr1 s PHE 538 N -2.61 2.99 0.83 1.13 0.08 -1.26 -5.11 117.98 114.03 3hr1 s PHE 538 Ca -0.11 0.06 -0.11 0.00 0.12 0.00 0.00 56.93 56.89 3hr1 s PHE 538 Cb 0.06 -1.72 0.09 0.00 -0.57 0.00 0.00 43.02 40.88 3hr1 s PHE 538 CO 0.85 0.37 1.09 0.95 -0.10 0.00 0.00 175.22 178.38 3hr1 s THR 539 N -0.85 3.04 0.25 0.64 -4.23 -1.26 -4.79 115.64 108.44 3hr1 s THR 539 Ca 0.13 0.34 -0.04 0.00 -1.18 0.00 0.00 61.69 60.94 3hr1 s THR 539 Cb -0.11 -2.84 0.21 0.00 1.34 0.00 0.00 72.50 71.10 3hr1 s THR 539 CO 0.02 -0.44 1.80 0.44 -0.54 0.00 0.00 174.62 175.90 3hr1 h ASP 540 N -1.30 0.61 -0.37 3.99 3.32 -1.99 -0.38 116.42 120.30 3hr1 h ASP 540 Ca -0.46 0.06 -0.07 0.00 0.02 0.00 0.00 57.03 56.58 3hr1 h ASP 540 Cb 1.26 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.74 3hr1 h ASP 540 CO 0.53 0.33 -0.04 0.25 -1.72 0.00 0.00 179.24 178.59 3hr1 h LEU 541 N 0.73 0.68 -0.69 1.55 5.85 -2.00 -2.08 115.31 119.36 3hr1 h LEU 541 Ca 0.40 -0.34 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 3hr1 h LEU 541 Cb 0.42 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 3hr1 h LEU 541 CO -0.27 0.85 0.42 -0.33 -0.34 0.00 0.00 178.44 178.77 3hr1 h GLU 542 N 0.49 0.93 -0.09 1.25 5.08 -1.80 -0.62 114.58 119.82 3hr1 h GLU 542 Ca 0.10 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3hr1 h GLU 542 Cb 0.53 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 3hr1 h GLU 542 CO 0.03 0.66 0.02 0.00 -1.00 0.00 0.00 179.01 178.72 3hr1 h ARG 543 N 0.93 0.15 0.19 2.33 3.08 -0.92 0.20 114.38 120.33 3hr1 h ARG 543 Ca 0.25 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.27 3hr1 h ARG 543 Cb -0.03 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 3hr1 h ARG 543 CO -0.05 0.33 -0.19 0.87 -1.07 0.00 0.00 179.97 179.86 3hr1 h LYS 544 N -0.06 -0.39 -0.34 0.04 1.57 -1.38 -2.28 116.57 113.73 3hr1 h LYS 544 Ca 0.03 0.03 0.05 0.00 -1.87 0.00 0.00 60.65 58.88 3hr1 h LYS 544 Cb 0.25 0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.60 3hr1 h LYS 544 CO 0.00 -0.26 0.07 0.78 -0.57 0.00 0.00 179.45 179.46 3hr1 h GLY 545 N -0.41 0.39 1.13 3.86 0.00 -1.00 -1.69 103.07 105.35 3hr1 h GLY 545 Ca 0.00 -0.02 -0.08 0.00 0.00 0.00 0.00 47.33 47.23 3hr1 h GLY 545 CO -0.05 -0.02 0.07 1.41 0.00 0.00 0.00 176.54 177.95 3hr1 h LEU 546 N 0.18 1.02 -0.38 3.11 3.38 -0.56 0.30 115.31 122.36 3hr1 h LEU 546 Ca 0.16 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 3hr1 h LEU 546 Cb 0.18 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3hr1 h LEU 546 CO -0.21 1.04 -0.02 -0.07 0.09 0.00 0.00 178.44 179.27 3hr1 h LEU 547 N 0.98 0.67 -0.45 1.67 3.38 -1.25 0.53 115.31 120.84 3hr1 h LEU 547 Ca 0.19 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 3hr1 h LEU 547 Cb 0.47 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 3hr1 h LEU 547 CO 0.02 0.83 0.27 0.40 0.09 0.00 0.00 178.44 180.04 3hr1 h ILE 548 N 0.50 1.15 -0.43 1.22 1.08 -1.17 -1.77 117.51 118.08 3hr1 h ILE 548 Ca 0.11 -0.35 0.06 0.00 -0.39 0.00 0.00 64.86 64.29 3hr1 h ILE 548 Cb 0.49 0.56 -0.05 0.00 -3.07 0.00 0.00 36.82 34.75 3hr1 h ILE 548 CO 0.02 0.15 0.14 0.00 -0.69 0.00 0.00 178.15 177.77 3hr1 h ALA 549 N 1.12 0.51 -0.36 1.87 0.00 -0.21 -1.33 119.26 120.87 3hr1 h ALA 549 Ca 0.16 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 3hr1 h ALA 549 Cb 0.01 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3hr1 h ALA 549 CO -0.03 -0.25 0.21 0.00 0.00 0.00 0.00 179.25 179.18 3hr1 h LEU 551 N 0.46 0.54 -0.94 0.00 5.85 -0.91 -2.92 115.31 117.39 3hr1 h LEU 551 Ca 0.13 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.85 3hr1 h LEU 551 Cb 0.02 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 40.93 3hr1 h LEU 551 CO -0.02 0.36 -0.34 0.00 -0.34 0.00 0.00 178.44 178.09 3hr1 n HIS 553 N -0.06 0.43 -1.32 0.00 1.44 -0.00 -1.86 115.22 113.85 3hr1 n HIS 553 Ca 0.11 0.16 0.08 0.00 -2.01 0.00 0.00 57.72 56.06 3hr1 n HIS 553 Cb 0.44 -0.76 0.11 0.00 0.12 0.00 0.00 29.99 29.90 3hr1 n HIS 553 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 3hr1 n ASP 554 N -1.88 1.78 -4.60 4.39 8.00 -1.26 -4.87 116.55 118.10 3hr1 n ASP 554 Ca 0.03 -2.86 -0.55 0.00 0.71 0.00 0.00 54.79 52.12 3hr1 n ASP 554 Cb 0.22 -0.38 -0.07 0.00 -0.02 0.00 0.00 41.12 40.88 3hr1 n ASP 554 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3hr1 n LEU 555 N -1.08 1.46 -1.55 0.64 4.77 -0.78 -1.53 117.00 118.93 3hr1 n LEU 555 Ca 0.12 1.12 -0.14 0.00 -0.03 0.00 0.00 56.01 57.08 3hr1 n LEU 555 Cb 0.66 -1.12 -0.01 0.00 -2.33 0.00 0.00 43.42 40.62 3hr1 n LEU 555 CO 0.01 -1.09 -0.18 -0.67 -1.33 0.00 0.00 177.39 174.13 3hr1 n ASP 556 N 2.86 -4.38 -4.76 -1.43 2.03 -0.22 -4.43 116.55 106.22 3hr1 n ASP 556 Ca 0.20 0.03 -0.41 0.00 0.52 0.00 0.00 54.79 55.14 3hr1 n ASP 556 Cb 0.15 -3.49 -0.02 0.00 -0.72 0.00 0.00 41.12 37.03 3hr1 n ASP 556 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 3hr1 s HIS 557 N -2.68 3.11 -2.79 -0.67 2.46 -0.58 -4.94 115.29 109.19 3hr1 s HIS 557 Ca 0.00 1.39 0.22 0.00 0.47 0.00 0.00 55.06 57.14 3hr1 s HIS 557 Cb 0.00 -3.65 0.19 0.00 -0.13 0.00 0.00 32.58 28.98 3hr1 s HIS 557 CO 0.00 -1.82 1.22 0.54 -2.47 0.00 0.00 174.74 172.20 3hr1 n ARG 558 N 1.13 2.12 -0.96 2.88 3.00 -1.26 -4.46 116.66 119.12 3hr1 n ARG 558 Ca 0.01 -1.85 0.00 0.00 -0.01 0.00 0.00 57.85 56.00 3hr1 n ARG 558 Cb 0.42 -1.43 0.00 0.00 0.00 0.00 0.00 32.46 31.45 3hr1 n ARG 558 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3hr1 n GLY 559 N 1.27 0.43 3.26 -0.13 0.00 -1.26 -5.03 105.19 103.72 3hr1 n GLY 559 Ca 0.13 -0.86 -0.25 0.00 0.00 0.00 0.00 46.02 45.05 3hr1 n GLY 559 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hr1 s PHE 560 N -2.00 1.79 0.84 1.61 0.08 -1.26 -4.74 117.98 114.30 3hr1 s PHE 560 Ca 0.00 -0.39 -0.12 0.00 0.12 0.00 0.00 56.93 56.55 3hr1 s PHE 560 Cb 0.00 -1.04 0.09 0.00 -0.57 0.00 0.00 43.02 41.50 3hr1 s PHE 560 CO 0.00 0.13 1.10 -1.54 -0.10 0.00 0.00 175.22 174.81 3hr1 s SER 561 N -1.42 4.10 0.33 1.36 1.04 -1.26 -4.90 113.70 112.95 3hr1 s SER 561 Ca 0.07 1.32 0.02 0.00 0.48 0.00 0.00 55.95 57.83 3hr1 s SER 561 Cb -0.09 -2.02 0.59 0.00 0.10 0.00 0.00 66.02 64.60 3hr1 s SER 561 CO 0.03 -2.22 1.97 0.78 0.98 0.00 0.00 173.24 174.77 3hr1 h ASN 562 N -1.26 0.80 -0.37 7.02 2.35 -2.01 -2.31 115.58 119.81 3hr1 h ASN 562 Ca -0.48 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.26 3hr1 h ASN 562 Cb 1.28 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 39.45 3hr1 h ASN 562 CO 0.58 0.55 0.24 -1.28 -1.65 0.00 0.00 177.43 175.88 3hr1 h SER 563 N 0.93 0.43 -0.31 5.81 0.87 -1.99 -1.24 113.55 118.05 3hr1 h SER 563 Ca 0.30 -0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.84 3hr1 h SER 563 Cb 0.05 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 61.89 3hr1 h SER 563 CO -0.09 0.33 0.19 0.22 -0.53 0.00 0.00 176.83 176.95 3hr1 h TYR 564 N 0.50 0.41 -0.98 2.24 3.20 -1.83 -0.54 116.97 119.97 3hr1 h TYR 564 Ca 0.14 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.06 3hr1 h TYR 564 Cb -0.04 -0.14 -0.06 0.00 1.54 0.00 0.00 36.73 38.03 3hr1 h TYR 564 CO -0.05 0.31 0.64 -0.07 -1.64 0.00 0.00 178.16 177.35 3hr1 h LEU 565 N 0.40 1.02 0.02 2.82 4.07 -1.07 0.11 115.31 122.68 3hr1 h LEU 565 Ca 0.11 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.07 3hr1 h LEU 565 Cb 0.02 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 41.54 3hr1 h LEU 565 CO -0.02 0.67 -0.01 -0.61 -1.08 0.00 0.00 178.44 177.39 3hr1 h GLN 566 N 1.17 -0.02 -0.28 1.13 4.15 -0.88 -0.23 115.11 120.14 3hr1 h GLN 566 Ca 0.41 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.79 3hr1 h GLN 566 Cb 0.12 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.80 3hr1 h GLN 566 CO -0.15 0.15 -0.02 0.87 -1.93 0.00 0.00 178.83 177.74 3hr1 h LYS 567 N -0.19 0.43 0.00 1.69 1.79 -0.56 -1.75 116.57 117.98 3hr1 h LYS 567 Ca -0.00 -0.09 -0.03 0.00 -2.18 0.00 0.00 60.65 58.35 3hr1 h LYS 567 Cb 0.18 -0.07 -0.00 0.00 -1.58 0.00 0.00 32.23 30.76 3hr1 h LYS 567 CO 0.00 0.48 -0.13 0.35 -1.08 0.00 0.00 179.45 179.07 3hr1 h PHE 568 N 0.42 0.00 -3.76 -1.35 3.57 -0.67 -3.47 116.94 111.67 3hr1 h PHE 568 Ca 0.09 0.00 -0.23 0.00 3.53 0.00 0.00 57.97 61.37 3hr1 h PHE 568 Cb 0.31 0.00 0.08 0.00 2.79 0.00 0.00 35.95 39.13 3hr1 h PHE 568 CO 0.01 0.13 -0.39 -3.47 -2.23 0.00 0.00 178.31 172.37 3hr1 n ASP 569 N -3.22 -4.40 -4.77 0.41 2.03 -0.61 -5.00 116.55 101.00 3hr1 n ASP 569 Ca 0.01 -0.31 -0.40 0.00 0.52 0.00 0.00 54.79 54.62 3hr1 n ASP 569 Cb 0.44 -3.07 0.01 0.00 -0.72 0.00 0.00 41.12 37.77 3hr1 n ASP 569 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 3hr1 s HIS 570 N -3.18 2.65 0.41 -0.67 5.65 -0.20 -4.91 115.29 115.04 3hr1 s HIS 570 Ca 0.32 1.33 0.21 0.00 0.25 0.00 0.00 55.06 57.18 3hr1 s HIS 570 Cb -0.14 -3.80 1.18 0.00 -1.18 0.00 0.00 32.58 28.64 3hr1 s HIS 570 CO 0.41 -2.50 1.76 -1.35 -0.65 0.00 0.00 174.74 172.41 3hr1 h PRO 571 N 2.53 0.32 -0.39 2.88 0.11 -1.94 -0.68 132.00 134.83 3hr1 h PRO 571 Ca -0.50 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.55 3hr1 h PRO 571 Cb 1.25 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 3hr1 h PRO 571 CO 0.62 0.21 0.07 -0.07 -0.21 0.00 0.00 178.00 178.62 3hr1 h LEU 572 N 0.33 0.54 -1.37 2.35 3.38 -1.95 -2.06 115.31 116.54 3hr1 h LEU 572 Ca 0.61 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 58.44 3hr1 h LEU 572 Cb 1.67 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 42.27 3hr1 h LEU 572 CO -0.28 0.57 -0.26 0.00 0.09 0.00 0.00 178.44 178.56 3hr1 h ALA 573 N 1.51 1.17 0.06 1.53 0.00 -1.32 0.19 119.26 122.40 3hr1 h ALA 573 Ca 0.13 -0.23 -0.24 0.00 0.00 0.00 0.00 54.91 54.57 3hr1 h ALA 573 Cb 0.26 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3hr1 h ALA 573 CO 0.00 0.32 -1.06 0.00 0.00 0.00 0.00 179.25 178.51 3hr1 h ALA 574 N 1.74 0.28 -0.05 0.00 0.00 -1.34 -3.26 119.26 116.64 3hr1 h ALA 574 Ca -0.00 -0.80 -0.12 0.00 0.00 0.00 0.00 54.91 53.99 3hr1 h ALA 574 Cb 0.63 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.40 3hr1 h ALA 574 CO 0.03 0.93 -0.45 1.25 0.00 0.00 0.00 179.25 181.01 3hr1 h LEU 575 N 0.12 0.49 -7.36 0.00 5.85 -1.11 -3.41 115.31 109.90 3hr1 h LEU 575 Ca -0.09 -0.69 -0.63 0.00 0.84 0.00 0.00 57.88 57.31 3hr1 h LEU 575 Cb 1.74 -0.15 -0.40 0.00 0.37 0.00 0.00 40.66 42.22 3hr1 h LEU 575 CO 0.17 1.10 -0.72 -0.31 -0.34 0.00 0.00 178.44 178.35 3hr1 s TYR 576 N -3.49 2.76 0.20 1.25 2.02 0.65 -5.00 117.35 115.75 3hr1 s TYR 576 Ca -0.14 -2.57 -0.05 0.00 -0.37 0.00 0.00 57.07 53.93 3hr1 s TYR 576 Cb 0.04 -2.38 0.15 0.00 -0.40 0.00 0.00 41.96 39.37 3hr1 s TYR 576 CO 0.80 -0.86 1.61 0.66 -1.57 0.00 0.00 175.55 176.18 3hr1 h SER 577 N 7.39 0.83 -3.73 2.29 4.64 -1.80 -3.37 113.55 119.80 3hr1 h SER 577 Ca -0.07 -0.31 -0.68 0.00 -0.47 0.00 0.00 61.79 60.26 3hr1 h SER 577 Cb 0.98 -0.23 -0.20 0.00 -0.31 0.00 0.00 62.40 62.64 3hr1 h SER 577 CO 0.53 1.03 -0.84 0.42 -0.87 0.00 0.00 176.83 177.10 3hr1 s THR 578 N -4.59 2.47 -1.45 2.95 -4.23 -1.26 -4.65 115.64 104.88 3hr1 s THR 578 Ca -0.10 -1.72 -0.01 0.00 -1.18 0.00 0.00 61.69 58.69 3hr1 s THR 578 Cb 0.13 -2.12 0.01 0.00 1.34 0.00 0.00 72.50 71.85 3hr1 s THR 578 CO 0.84 0.06 0.35 -1.20 -0.54 0.00 0.00 174.62 174.13 3hr1 n SER 579 N 0.77 -0.17 0.21 3.99 7.64 -1.26 -4.77 113.62 120.01 3hr1 n SER 579 Ca -0.16 -1.06 -0.16 0.00 1.01 0.00 0.00 58.87 58.49 3hr1 n SER 579 Cb 0.53 -2.76 -0.08 0.00 -1.01 0.00 0.00 64.21 60.89 3hr1 n SER 579 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 3hr1 h THR 580 N -1.81 0.12 -0.58 0.44 2.02 -1.83 0.11 112.91 111.38 3hr1 h THR 580 Ca -0.63 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 66.50 3hr1 h THR 580 Cb 1.38 0.12 -0.03 0.00 -1.74 0.00 0.00 68.15 67.88 3hr1 h THR 580 CO 0.65 0.00 0.19 0.24 0.37 0.00 0.00 175.52 176.96 3hr1 h MET 581 N -0.81 0.87 -0.43 6.66 2.86 -1.89 -2.29 114.93 119.89 3hr1 h MET 581 Ca -0.02 -0.16 -0.11 0.00 -2.06 0.00 0.00 59.70 57.35 3hr1 h MET 581 Cb 0.76 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.26 3hr1 h MET 581 CO -0.14 0.74 -0.17 0.93 1.06 0.00 0.00 176.91 179.33 3hr1 h GLU 582 N 0.84 0.88 -0.80 1.72 3.07 -1.73 0.32 114.58 118.88 3hr1 h GLU 582 Ca 0.19 -0.37 0.03 0.00 -0.50 0.00 0.00 59.36 58.72 3hr1 h GLU 582 Cb 0.23 -0.03 -0.05 0.00 -0.84 0.00 0.00 28.75 28.06 3hr1 h GLU 582 CO -0.01 1.01 0.51 1.96 -1.40 0.00 0.00 179.01 181.08 3hr1 h GLN 583 N 0.70 0.95 -0.40 2.33 4.20 -0.61 -1.89 115.11 120.40 3hr1 h GLN 583 Ca 0.10 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.74 3hr1 h GLN 583 Cb 0.73 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 28.27 3hr1 h GLN 583 CO 0.06 0.63 0.19 1.25 -0.67 0.00 0.00 178.83 180.28 3hr1 h HIS 584 N 0.98 0.58 -0.69 2.96 2.76 -0.79 -1.00 115.15 119.95 3hr1 h HIS 584 Ca 0.32 -0.03 0.08 0.00 -2.20 0.00 0.00 60.37 58.54 3hr1 h HIS 584 Cb 0.03 -0.18 -0.06 0.00 1.55 0.00 0.00 27.41 28.75 3hr1 h HIS 584 CO -0.03 0.49 0.35 0.45 -1.30 0.00 0.00 177.93 177.89 3hr1 h HIS 585 N 0.50 0.64 -0.42 5.26 3.86 -0.05 0.45 115.15 125.39 3hr1 h HIS 585 Ca 0.14 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.35 3hr1 h HIS 585 Cb 0.13 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.40 3hr1 h HIS 585 CO -0.01 0.26 0.16 0.35 0.86 0.00 0.00 177.93 179.55 3hr1 h PHE 586 N 0.63 0.65 -0.65 2.45 3.57 -1.10 -1.75 116.94 120.75 3hr1 h PHE 586 Ca 0.33 -0.05 0.11 0.00 3.53 0.00 0.00 57.97 61.89 3hr1 h PHE 586 Cb 0.30 -0.19 -0.08 0.00 2.79 0.00 0.00 35.95 38.76 3hr1 h PHE 586 CO -0.10 0.58 0.23 1.03 -2.23 0.00 0.00 178.31 177.82 3hr1 h SER 587 N 0.54 0.20 -0.53 0.41 0.87 -0.26 -1.67 113.55 113.10 3hr1 h SER 587 Ca 0.14 0.09 -0.06 0.00 -1.23 0.00 0.00 61.79 60.73 3hr1 h SER 587 Cb 0.21 0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.22 3hr1 h SER 587 CO -0.01 0.11 0.11 1.56 -0.53 0.00 0.00 176.83 178.07 3hr1 h GLN 588 N 0.39 0.92 0.00 2.24 1.08 -0.76 -1.14 115.11 117.84 3hr1 h GLN 588 Ca 0.34 -0.21 0.00 0.00 -1.45 0.00 0.00 58.65 57.33 3hr1 h GLN 588 Cb 0.46 -0.13 -0.00 0.00 -0.05 0.00 0.00 27.48 27.77 3hr1 h GLN 588 CO -0.35 0.84 -0.00 1.15 -0.95 0.00 0.00 178.83 179.51 3hr1 h THR 589 N 0.87 0.99 -0.17 -0.54 2.02 -0.50 -1.29 112.91 114.29 3hr1 h THR 589 Ca 0.18 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.36 3hr1 h THR 589 Cb 0.36 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 3hr1 h THR 589 CO 0.00 0.00 0.09 0.58 0.37 0.00 0.00 175.52 176.56 3hr1 h VAL 590 N -0.01 1.11 -0.75 3.16 2.07 -1.16 -1.38 116.25 119.30 3hr1 h VAL 590 Ca 0.00 -0.32 0.14 0.00 0.82 0.00 0.00 66.70 67.34 3hr1 h VAL 590 Cb 0.01 1.01 -0.09 0.00 -1.52 0.00 0.00 31.29 30.70 3hr1 h VAL 590 CO -0.00 0.11 0.31 0.28 0.02 0.00 0.00 177.57 178.29 3hr1 h SER 591 N 0.17 0.32 -0.30 0.57 0.02 -1.10 -0.82 113.55 112.40 3hr1 h SER 591 Ca 0.06 0.10 -0.05 0.00 -0.84 0.00 0.00 61.79 61.06 3hr1 h SER 591 Cb 0.09 0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 3hr1 h SER 591 CO -0.01 0.13 -0.02 0.40 -1.14 0.00 0.00 176.83 176.20 3hr1 h ILE 592 N 0.47 1.26 -0.25 3.27 2.04 -0.94 -2.82 117.51 120.55 3hr1 h ILE 592 Ca 0.41 -0.98 0.07 0.00 1.00 0.00 0.00 64.86 65.36 3hr1 h ILE 592 Cb 0.59 1.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.97 3hr1 h ILE 592 CO -0.38 0.32 0.18 -0.07 0.00 0.00 0.00 178.15 178.20 3hr1 h LEU 593 N 0.32 0.00 -0.37 1.44 3.38 -0.47 -2.06 115.31 117.56 3hr1 h LEU 593 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3hr1 h LEU 593 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3hr1 h LEU 593 CO 0.02 0.00 -0.17 0.00 0.09 0.00 0.00 178.44 178.38 3hr1 n GLN 594 N -4.40 0.78 -2.26 1.13 6.02 -0.39 -3.16 117.38 115.10 3hr1 n GLN 594 Ca 0.03 -0.37 -0.39 0.00 -0.01 0.00 0.00 57.00 56.26 3hr1 n GLN 594 Cb 0.33 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 30.08 3hr1 n GLN 594 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3hr1 s LEU 595 N -2.47 4.25 0.18 1.08 1.43 -0.78 -4.94 118.68 117.43 3hr1 s LEU 595 Ca 0.27 2.41 -0.33 0.00 -1.03 0.00 0.00 54.13 55.45 3hr1 s LEU 595 Cb 0.20 -3.93 -0.14 0.00 0.03 0.00 0.00 46.19 42.34 3hr1 s LEU 595 CO 0.49 -0.63 1.49 1.21 0.23 0.00 0.00 176.35 179.14 3hr1 n GLU 596 N 0.26 1.98 -0.95 1.70 2.13 -1.26 -1.26 120.64 123.23 3hr1 n GLU 596 Ca 0.03 0.71 0.00 0.00 0.66 0.00 0.00 57.16 58.56 3hr1 n GLU 596 Cb 0.45 -2.43 0.00 0.00 0.27 0.00 0.00 31.44 29.74 3hr1 n GLU 596 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3hr1 n GLY 597 N 2.89 0.48 0.39 8.31 0.00 -1.26 -4.87 105.19 111.13 3hr1 n GLY 597 Ca 0.15 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.26 3hr1 n GLY 597 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3hr1 n HIS 598 N -2.48 0.00 -2.46 1.61 8.25 -0.39 -4.63 115.22 115.13 3hr1 n HIS 598 Ca 0.00 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.07 3hr1 n HIS 598 Cb 0.09 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.18 3hr1 n HIS 598 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 3hr1 s ASN 599 N -1.95 6.33 0.33 0.41 2.47 -1.19 -4.63 114.94 116.71 3hr1 s ASN 599 Ca 0.14 -1.82 0.24 0.00 0.42 0.00 0.00 52.86 51.84 3hr1 s ASN 599 Cb 0.14 -2.58 1.19 0.00 -1.45 0.00 0.00 41.25 38.55 3hr1 s ASN 599 CO 0.42 -1.68 1.72 0.16 -3.72 0.00 0.00 177.10 173.99 3hr1 h ILE 600 N 6.26 0.00 -0.66 -5.21 3.07 -1.88 -1.66 117.51 117.43 3hr1 h ILE 600 Ca 0.30 -0.09 0.00 0.00 1.55 0.00 0.00 64.86 66.62 3hr1 h ILE 600 Cb 0.94 0.69 0.00 0.00 -0.27 0.00 0.00 36.82 38.18 3hr1 h ILE 600 CO 1.40 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 178.99 3hr1 n PHE 601 N -2.32 1.37 0.29 0.16 3.72 -1.26 -4.57 117.46 114.84 3hr1 n PHE 601 Ca -0.00 -0.56 0.16 0.00 -0.05 0.00 0.00 57.45 56.99 3hr1 n PHE 601 Cb 0.10 -0.19 0.89 0.00 -0.94 0.00 0.00 39.48 39.34 3hr1 n PHE 601 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3hr1 h SER 602 N 4.07 0.00 1.13 4.37 4.64 -1.70 -1.97 113.55 124.09 3hr1 h SER 602 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hr1 h SER 602 Cb 1.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 3hr1 h SER 602 CO 0.18 0.05 -0.14 0.35 -0.87 0.00 0.00 176.83 176.40 3hr1 n THR 603 N -3.55 0.30 -2.15 2.95 -2.24 -1.26 -4.85 114.28 103.47 3hr1 n THR 603 Ca -0.02 -0.16 -0.32 0.00 -2.27 0.00 0.00 64.05 61.27 3hr1 n THR 603 Cb 0.16 -0.40 -0.00 0.00 -2.10 0.00 0.00 70.33 67.98 3hr1 n THR 603 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3hr1 s LEU 604 N -3.82 3.53 0.95 3.22 1.43 -0.74 -5.06 118.68 118.20 3hr1 s LEU 604 Ca 0.11 1.74 -0.11 0.00 -1.03 0.00 0.00 54.13 54.84 3hr1 s LEU 604 Cb 0.15 -4.52 0.16 0.00 0.03 0.00 0.00 46.19 42.01 3hr1 s LEU 604 CO 0.60 -0.98 1.11 -0.94 0.23 0.00 0.00 176.35 176.37 3hr1 s SER 605 N -2.89 2.76 0.27 2.29 1.04 -1.26 -4.76 113.70 111.16 3hr1 s SER 605 Ca 0.62 1.91 -0.00 0.00 0.48 0.00 0.00 55.95 58.95 3hr1 s SER 605 Cb -0.14 -2.45 0.52 0.00 0.10 0.00 0.00 66.02 64.04 3hr1 s SER 605 CO 0.35 -3.15 1.82 0.28 0.98 0.00 0.00 173.24 173.52 3hr1 h SER 606 N -1.90 0.80 -0.07 7.02 0.02 -1.96 -0.17 113.55 117.28 3hr1 h SER 606 Ca -0.48 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.52 3hr1 h SER 606 Cb 1.28 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 63.72 3hr1 h SER 606 CO 0.46 0.42 0.02 0.28 -1.14 0.00 0.00 176.83 176.87 3hr1 h SER 607 N 0.88 0.11 -0.28 3.07 0.02 -1.99 -1.16 113.55 114.20 3hr1 h SER 607 Ca 0.47 -0.22 -0.06 0.00 -0.84 0.00 0.00 61.79 61.14 3hr1 h SER 607 Cb 0.49 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.99 3hr1 h SER 607 CO -0.28 0.30 -0.00 -0.33 -1.14 0.00 0.00 176.83 175.38 3hr1 h GLU 608 N -0.09 0.61 0.44 3.45 5.08 -1.86 0.04 114.58 122.25 3hr1 h GLU 608 Ca 0.02 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 3hr1 h GLU 608 Cb 0.23 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 3hr1 h GLU 608 CO -0.00 0.63 -0.28 -0.92 -1.00 0.00 0.00 179.01 177.44 3hr1 h TYR 609 N 0.58 -0.73 -0.88 4.33 3.20 -0.86 0.11 116.97 122.71 3hr1 h TYR 609 Ca 0.12 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.08 3hr1 h TYR 609 Cb 0.37 0.26 -0.07 0.00 1.54 0.00 0.00 36.73 38.83 3hr1 h TYR 609 CO 0.02 -0.43 0.52 0.93 -1.64 0.00 0.00 178.16 177.56 3hr1 h GLU 610 N -0.69 0.85 -0.15 1.82 5.08 -0.99 -1.18 114.58 119.31 3hr1 h GLU 610 Ca -0.05 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 3hr1 h GLU 610 Cb 0.57 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 3hr1 h GLU 610 CO 0.05 0.56 0.06 0.37 -1.00 0.00 0.00 179.01 179.05 3hr1 h GLN 611 N 0.88 0.23 -0.18 2.33 4.15 -0.62 -1.82 115.11 120.08 3hr1 h GLN 611 Ca 0.42 -0.05 -0.12 0.00 0.77 0.00 0.00 58.65 59.67 3hr1 h GLN 611 Cb 0.36 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.00 3hr1 h GLN 611 CO -0.24 0.33 -0.41 -0.24 -1.93 0.00 0.00 178.83 176.34 3hr1 h VAL 612 N 0.09 1.31 -0.47 2.39 3.04 -0.51 -1.02 116.25 121.07 3hr1 h VAL 612 Ca 0.05 -1.57 -0.04 0.00 -1.01 0.00 0.00 66.70 64.13 3hr1 h VAL 612 Cb 0.19 1.62 -0.02 0.00 -2.01 0.00 0.00 31.29 31.07 3hr1 h VAL 612 CO -0.00 0.48 0.14 -0.07 -1.01 0.00 0.00 177.57 177.11 3hr1 h LEU 613 N 0.35 0.64 -0.38 3.16 3.38 -1.13 0.82 115.31 122.16 3hr1 h LEU 613 Ca 0.03 -0.09 -0.16 0.00 0.09 0.00 0.00 57.88 57.74 3hr1 h LEU 613 Cb 0.88 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 3hr1 h LEU 613 CO 0.07 0.62 -0.41 -0.08 0.09 0.00 0.00 178.44 178.73 3hr1 h GLU 614 N 0.69 0.93 -0.30 1.13 4.57 -0.87 0.19 114.58 120.91 3hr1 h GLU 614 Ca 0.16 -0.50 0.03 0.00 -1.18 0.00 0.00 59.36 57.87 3hr1 h GLU 614 Cb 0.22 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.80 3hr1 h GLU 614 CO -0.01 1.16 0.10 0.82 -1.18 0.00 0.00 179.01 179.90 3hr1 h ILE 615 N 0.75 0.91 -0.32 2.32 2.04 -0.80 -0.31 117.51 122.10 3hr1 h ILE 615 Ca 0.05 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 3hr1 h ILE 615 Cb 1.01 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.74 3hr1 h ILE 615 CO 0.10 0.04 0.14 0.40 0.00 0.00 0.00 178.15 178.83 3hr1 h ILE 616 N 0.23 1.17 0.10 -0.67 2.04 -0.66 -1.43 117.51 118.29 3hr1 h ILE 616 Ca 0.13 -0.50 -0.00 0.00 1.00 0.00 0.00 64.86 65.50 3hr1 h ILE 616 Cb 0.11 0.91 -0.00 0.00 -0.74 0.00 0.00 36.82 37.10 3hr1 h ILE 616 CO -0.14 0.18 -0.07 -0.09 0.00 0.00 0.00 178.15 178.02 3hr1 h ARG 617 N 0.37 -0.18 -0.88 2.37 2.43 -0.38 0.15 114.38 118.26 3hr1 h ARG 617 Ca 0.11 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.30 3hr1 h ARG 617 Cb 0.15 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.69 3hr1 h ARG 617 CO -0.01 -0.12 0.58 0.87 -1.51 0.00 0.00 179.97 179.78 3hr1 h LYS 618 N -0.18 1.16 -0.31 0.20 1.57 -0.96 -1.12 116.57 116.94 3hr1 h LYS 618 Ca -0.01 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.66 3hr1 h LYS 618 Cb 0.16 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 3hr1 h LYS 618 CO -0.00 0.78 0.05 0.00 -0.57 0.00 0.00 179.45 179.70 3hr1 h ALA 619 N 1.32 0.41 -0.20 3.86 0.00 -0.94 -1.39 119.26 122.32 3hr1 h ALA 619 Ca 0.32 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3hr1 h ALA 619 Cb -0.13 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3hr1 h ALA 619 CO -0.07 0.10 0.06 0.82 0.00 0.00 0.00 179.25 180.16 3hr1 h ILE 620 N 0.33 1.20 -0.86 0.00 2.04 -0.67 -2.84 117.51 116.71 3hr1 h ILE 620 Ca 0.09 -0.62 0.05 0.00 1.00 0.00 0.00 64.86 65.38 3hr1 h ILE 620 Cb 0.34 1.23 -0.05 0.00 -0.74 0.00 0.00 36.82 37.60 3hr1 h ILE 620 CO 0.01 0.19 0.56 0.40 0.00 0.00 0.00 178.15 179.31 3hr1 h ILE 621 N 0.14 1.10 -0.04 -0.67 1.08 -1.13 -2.22 117.51 115.76 3hr1 h ILE 621 Ca 0.06 -0.35 0.01 0.00 -0.39 0.00 0.00 64.86 64.19 3hr1 h ILE 621 Cb 0.25 -0.01 -0.00 0.00 -3.07 0.00 0.00 36.82 33.99 3hr1 h ILE 621 CO -0.00 0.19 0.06 0.00 -0.69 0.00 0.00 178.15 177.71 3hr1 h ALA 622 N 1.51 1.48 0.00 1.87 0.00 -1.00 -0.53 119.26 122.60 3hr1 h ALA 622 Ca 0.36 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 3hr1 h ALA 622 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3hr1 h ALA 622 CO -0.12 -0.08 0.00 0.25 0.00 0.00 0.00 179.25 179.30 3hr1 n THR 623 N -3.65 0.29 -2.05 0.00 -2.24 -0.83 -4.49 114.28 101.30 3hr1 n THR 623 Ca -0.02 0.07 -0.40 0.00 -2.27 0.00 0.00 64.05 61.43 3hr1 n THR 623 Cb 0.15 -0.74 -0.03 0.00 -2.10 0.00 0.00 70.33 67.61 3hr1 n THR 623 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hr1 s ASP 624 N -2.45 5.56 0.57 3.42 2.15 -0.21 -4.86 116.67 120.85 3hr1 s ASP 624 Ca 0.22 0.69 0.27 0.00 0.43 0.00 0.00 52.55 54.16 3hr1 s ASP 624 Cb 0.14 -2.53 1.52 0.00 -0.30 0.00 0.00 42.92 41.75 3hr1 s ASP 624 CO 0.30 -2.08 2.03 0.25 -0.17 0.00 0.00 175.17 175.49 3hr1 h LEU 625 N 15.20 0.00 -1.85 -1.34 5.85 -1.89 0.60 115.31 131.88 3hr1 h LEU 625 Ca -0.28 0.00 0.17 0.00 0.84 0.00 0.00 57.88 58.60 3hr1 h LEU 625 Cb 1.16 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.16 3hr1 h LEU 625 CO 1.15 0.00 0.46 0.00 -0.34 0.00 0.00 178.44 179.71 3hr1 h ALA 626 N 1.71 2.41 0.00 1.25 0.00 -1.93 -1.34 119.26 121.37 3hr1 h ALA 626 Ca 0.16 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 3hr1 h ALA 626 Cb 0.77 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3hr1 h ALA 626 CO -0.00 -0.60 -0.42 -0.07 0.00 0.00 0.00 179.25 178.16 3hr1 h LEU 627 N 0.14 0.00 -0.40 0.00 3.38 -1.19 -3.36 115.31 113.88 3hr1 h LEU 627 Ca 0.32 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.31 3hr1 h LEU 627 Cb 1.05 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.77 3hr1 h LEU 627 CO -0.04 0.22 0.22 0.22 0.09 0.00 0.00 178.44 179.15 3hr1 h TYR 628 N 0.00 0.42 -0.23 1.13 3.20 -1.29 -2.26 116.97 117.94 3hr1 h TYR 628 Ca -0.01 0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.92 3hr1 h TYR 628 Cb 1.18 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 39.28 3hr1 h TYR 628 CO 0.00 0.23 -0.06 0.74 -1.64 0.00 0.00 178.16 177.43 3hr1 h PHE 629 N 0.45 -0.14 -0.54 -3.82 0.04 -1.71 0.30 116.94 111.52 3hr1 h PHE 629 Ca 0.16 0.02 -0.08 0.00 2.80 0.00 0.00 57.97 60.88 3hr1 h PHE 629 Cb 0.03 0.10 -0.02 0.00 2.20 0.00 0.00 35.95 38.26 3hr1 h PHE 629 CO -0.08 -0.11 0.04 0.78 -0.60 0.00 0.00 178.31 178.35 3hr1 h GLY 630 N -0.01 1.00 0.96 -1.45 0.00 -1.79 -1.70 103.07 100.08 3hr1 h GLY 630 Ca 0.11 -0.71 -0.01 0.00 0.00 0.00 0.00 47.33 46.73 3hr1 h GLY 630 CO -0.24 0.65 -0.09 -0.57 0.00 0.00 0.00 176.54 176.29 3hr1 h ASN 631 N 0.81 -0.22 -0.93 0.19 -1.24 -0.80 -1.64 115.58 111.75 3hr1 h ASN 631 Ca 0.16 -0.02 -0.01 0.00 0.71 0.00 0.00 56.30 57.14 3hr1 h ASN 631 Cb 0.47 0.06 -0.04 0.00 0.73 0.00 0.00 38.32 39.54 3hr1 h ASN 631 CO 0.02 -0.12 0.56 -0.09 -1.29 0.00 0.00 177.43 176.50 3hr1 h ARG 632 N -0.30 1.27 -0.43 6.67 2.43 -0.40 -1.01 114.38 122.61 3hr1 h ARG 632 Ca -0.03 -0.12 0.04 0.00 -0.81 0.00 0.00 59.98 59.07 3hr1 h ARG 632 Cb 0.23 -0.26 -0.04 0.00 -0.42 0.00 0.00 29.97 29.48 3hr1 h ARG 632 CO 0.04 0.89 0.18 -0.22 -1.51 0.00 0.00 179.97 179.36 3hr1 h LYS 633 N 1.29 0.36 -0.16 0.20 3.64 -1.13 0.71 116.57 121.48 3hr1 h LYS 633 Ca 0.33 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.68 3hr1 h LYS 633 Cb -0.05 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 3hr1 h LYS 633 CO -0.06 0.24 0.07 1.96 -2.27 0.00 0.00 179.45 179.39 3hr1 h GLN 634 N 0.37 0.23 -0.84 1.90 1.08 -0.85 -2.09 115.11 114.91 3hr1 h GLN 634 Ca 0.19 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.35 3hr1 h GLN 634 Cb 0.14 -0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 27.49 3hr1 h GLN 634 CO -0.17 0.30 0.52 -0.07 -0.95 0.00 0.00 178.83 178.47 3hr1 h LEU 635 N 0.11 0.99 -0.60 1.46 3.38 -0.92 -0.93 115.31 118.80 3hr1 h LEU 635 Ca 0.05 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 3hr1 h LEU 635 Cb 0.15 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3hr1 h LEU 635 CO -0.01 0.75 0.17 -0.08 0.09 0.00 0.00 178.44 179.36 3hr1 h GLU 636 N 1.14 0.95 -0.40 1.13 4.57 -0.73 0.13 114.58 121.37 3hr1 h GLU 636 Ca 0.30 -0.22 -0.01 0.00 -1.18 0.00 0.00 59.36 58.26 3hr1 h GLU 636 Cb -0.07 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.37 3hr1 h GLU 636 CO -0.06 0.86 0.23 1.49 -1.18 0.00 0.00 179.01 180.35 3hr1 h GLU 637 N 0.86 0.56 -0.79 1.92 4.57 -0.98 -1.32 114.58 119.41 3hr1 h GLU 637 Ca 0.19 -0.06 0.01 0.00 -1.18 0.00 0.00 59.36 58.32 3hr1 h GLU 637 Cb 0.32 -0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 28.76 3hr1 h GLU 637 CO -0.00 0.43 0.52 0.52 -1.18 0.00 0.00 179.01 179.30 3hr1 h MET 638 N 0.53 1.02 -0.07 1.92 2.86 -0.89 -1.40 114.93 118.90 3hr1 h MET 638 Ca 0.14 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.72 3hr1 h MET 638 Cb 0.03 -0.23 -0.00 0.00 0.06 0.00 0.00 31.60 31.46 3hr1 h MET 638 CO -0.02 0.67 0.03 -0.92 1.06 0.00 0.00 176.91 177.73 3hr1 h TYR 639 N 1.05 0.10 -0.05 -0.22 3.20 -0.79 0.11 116.97 120.37 3hr1 h TYR 639 Ca 0.29 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.09 3hr1 h TYR 639 Cb -0.10 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.13 3hr1 h TYR 639 CO -0.02 0.19 -0.28 1.96 -1.64 0.00 0.00 178.16 178.37 3hr1 h GLN 640 N -0.01 0.09 -0.02 1.82 1.08 -1.00 -2.32 115.11 114.76 3hr1 h GLN 640 Ca 0.02 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3hr1 h GLN 640 Cb 0.12 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.55 3hr1 h GLN 640 CO -0.00 0.37 -0.11 0.25 -0.95 0.00 0.00 178.83 178.39 3hr1 n THR 641 N -4.17 0.00 -2.16 -0.54 -2.24 -0.55 -4.95 114.28 99.66 3hr1 n THR 641 Ca -0.02 -0.30 -0.15 0.00 -2.27 0.00 0.00 64.05 61.32 3hr1 n THR 641 Cb 0.35 0.85 -0.02 0.00 -2.10 0.00 0.00 70.33 69.42 3hr1 n THR 641 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hr1 n GLY 642 N 1.29 0.00 0.31 3.38 0.00 -0.77 -4.92 105.19 104.48 3hr1 n GLY 642 Ca 0.15 -0.27 0.09 0.00 0.00 0.00 0.00 46.02 45.99 3hr1 n GLY 642 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hr1 n SER 643 N -0.78 1.52 -4.70 1.61 3.41 0.29 -4.95 113.62 110.03 3hr1 n SER 643 Ca -0.17 -1.26 -0.42 0.00 -0.26 0.00 0.00 58.87 56.75 3hr1 n SER 643 Cb 0.61 0.60 -0.03 0.00 -0.26 0.00 0.00 64.21 65.13 3hr1 n SER 643 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3hr1 s LEU 644 N -2.32 4.39 -0.30 1.04 2.96 -1.05 -4.96 118.68 118.44 3hr1 s LEU 644 Ca 0.13 2.75 0.01 0.00 -0.22 0.00 0.00 54.13 56.80 3hr1 s LEU 644 Cb 0.14 -3.57 0.09 0.00 0.50 0.00 0.00 46.19 43.35 3hr1 s LEU 644 CO 0.52 -0.99 0.05 0.21 -1.32 0.00 0.00 176.35 174.81 3hr1 s ASN 645 N 2.49 4.19 0.19 3.68 2.47 -1.26 -4.99 114.94 121.70 3hr1 s ASN 645 Ca 0.80 -1.68 0.18 0.00 0.42 0.00 0.00 52.86 52.57 3hr1 s ASN 645 Cb -0.46 -1.16 0.82 0.00 -1.45 0.00 0.00 41.25 39.00 3hr1 s ASN 645 CO 0.35 -0.36 1.54 0.18 -3.72 0.00 0.00 177.10 175.09 3hr1 n LEU 646 N 4.63 0.41 -0.58 3.21 4.77 -1.26 -1.00 117.00 127.19 3hr1 n LEU 646 Ca -0.02 0.64 0.12 0.00 -0.03 0.00 0.00 56.01 56.71 3hr1 n LEU 646 Cb 0.43 -0.63 0.41 0.00 -2.33 0.00 0.00 43.42 41.30 3hr1 n LEU 646 CO 0.16 -0.61 0.80 1.41 -1.33 0.00 0.00 177.39 177.82 3hr1 n HIS 647 N -1.99 0.15 -3.59 -1.77 8.25 -1.26 -4.62 115.22 110.39 3hr1 n HIS 647 Ca 0.01 -0.07 -0.39 0.00 -0.26 0.00 0.00 57.72 57.01 3hr1 n HIS 647 Cb 0.13 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.13 3hr1 n HIS 647 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 3hr1 s ASN 648 N -1.73 5.87 0.25 0.41 3.84 -0.17 -5.00 114.94 118.42 3hr1 s ASN 648 Ca 0.34 -0.33 -0.04 0.00 0.21 0.00 0.00 52.86 53.04 3hr1 s ASN 648 Cb 0.19 -2.09 0.41 0.00 -0.55 0.00 0.00 41.25 39.21 3hr1 s ASN 648 CO 0.29 -0.17 1.82 -0.61 -2.79 0.00 0.00 177.10 175.64 3hr1 h GLN 649 N 8.41 0.82 -0.72 0.43 5.75 -1.85 0.13 115.11 128.08 3hr1 h GLN 649 Ca -0.33 -0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.10 3hr1 h GLN 649 Cb 1.16 -0.18 -0.03 0.00 1.07 0.00 0.00 27.48 29.50 3hr1 h GLN 649 CO 0.61 0.54 0.37 0.66 -2.65 0.00 0.00 178.83 178.36 3hr1 h SER 650 N 0.84 0.92 -0.33 -0.69 4.64 -1.94 0.60 113.55 117.60 3hr1 h SER 650 Ca 0.41 -0.12 -0.03 0.00 -0.47 0.00 0.00 61.79 61.58 3hr1 h SER 650 Cb 0.36 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.20 3hr1 h SER 650 CO -0.24 0.78 0.09 0.45 -0.87 0.00 0.00 176.83 177.04 3hr1 h HIS 651 N 1.00 0.54 -0.40 4.77 3.86 -1.64 -2.46 115.15 120.83 3hr1 h HIS 651 Ca 0.25 -0.06 0.08 0.00 -1.16 0.00 0.00 60.37 59.48 3hr1 h HIS 651 Cb 0.08 -0.15 -0.07 0.00 1.06 0.00 0.00 27.41 28.32 3hr1 h HIS 651 CO 0.00 0.56 -0.09 -0.09 0.86 0.00 0.00 177.93 179.17 3hr1 h ARG 652 N 0.37 0.01 -0.66 2.45 2.43 -0.42 -1.12 114.38 117.45 3hr1 h ARG 652 Ca 0.10 -0.00 0.11 0.00 -0.81 0.00 0.00 59.98 59.38 3hr1 h ARG 652 Cb 0.28 -0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 29.75 3hr1 h ARG 652 CO -0.00 0.01 0.25 -0.44 -1.51 0.00 0.00 179.97 178.27 3hr1 h ASP 653 N 0.01 0.23 -0.21 -3.80 3.32 -0.77 -0.45 116.42 114.75 3hr1 h ASP 653 Ca 0.19 0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.33 3hr1 h ASP 653 Cb 0.29 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 3hr1 h ASP 653 CO -0.40 0.12 0.14 0.03 -1.72 0.00 0.00 179.24 177.41 3hr1 h ARG 654 N 0.42 0.28 -0.41 3.56 3.08 -0.84 0.67 114.38 121.15 3hr1 h ARG 654 Ca 0.34 -0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.41 3hr1 h ARG 654 Cb 0.45 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.40 3hr1 h ARG 654 CO -0.34 0.20 0.18 0.28 -1.07 0.00 0.00 179.97 179.22 3hr1 h VAL 655 N 0.28 0.94 -0.63 2.04 2.07 -0.80 0.16 116.25 120.30 3hr1 h VAL 655 Ca 0.08 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.47 3hr1 h VAL 655 Cb -0.02 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.25 3hr1 h VAL 655 CO -0.02 0.07 0.40 0.40 0.02 0.00 0.00 177.57 178.44 3hr1 h ILE 656 N 0.37 1.17 -0.22 4.57 2.04 -0.90 0.25 117.51 124.79 3hr1 h ILE 656 Ca 0.18 -0.34 0.06 0.00 1.00 0.00 0.00 64.86 65.76 3hr1 h ILE 656 Cb 0.12 0.27 -0.07 0.00 -0.74 0.00 0.00 36.82 36.40 3hr1 h ILE 656 CO -0.15 0.17 -0.29 1.23 0.00 0.00 0.00 178.15 179.11 3hr1 h GLY 657 N 0.85 -0.30 0.78 5.37 0.00 -0.30 0.54 103.07 110.01 3hr1 h GLY 657 Ca 0.23 0.36 0.05 0.00 0.00 0.00 0.00 47.33 47.97 3hr1 h GLY 657 CO -0.05 -0.21 0.53 -2.00 0.00 0.00 0.00 176.54 174.81 3hr1 h LEU 658 N -0.32 0.85 -0.61 3.11 5.85 -0.55 -1.19 115.31 122.46 3hr1 h LEU 658 Ca 0.12 0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.94 3hr1 h LEU 658 Cb 0.51 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 41.31 3hr1 h LEU 658 CO -0.40 0.56 0.26 0.24 -0.34 0.00 0.00 178.44 178.76 3hr1 h MET 659 N 0.99 0.46 -0.54 1.25 2.86 -0.49 0.37 114.93 119.84 3hr1 h MET 659 Ca 0.36 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.95 3hr1 h MET 659 Cb 0.11 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 3hr1 h MET 659 CO -0.15 0.30 0.25 0.52 1.06 0.00 0.00 176.91 178.90 3hr1 h MET 660 N 0.47 0.78 -0.23 1.72 2.86 -0.03 0.59 114.93 121.09 3hr1 h MET 660 Ca 0.30 -0.12 0.02 0.00 -2.06 0.00 0.00 59.70 57.84 3hr1 h MET 660 Cb 0.32 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.82 3hr1 h MET 660 CO -0.26 0.65 0.08 1.15 1.06 0.00 0.00 176.91 179.59 3hr1 h THR 661 N 0.73 0.94 -0.73 2.22 2.02 -0.96 0.20 112.91 117.33 3hr1 h THR 661 Ca 0.18 -0.06 0.05 0.00 0.77 0.00 0.00 66.41 67.35 3hr1 h THR 661 Cb 0.13 0.74 -0.05 0.00 -1.74 0.00 0.00 68.15 67.23 3hr1 h THR 661 CO -0.02 0.03 0.44 0.00 0.37 0.00 0.00 175.52 176.34 3hr1 h ALA 662 N 1.14 0.97 -0.08 6.16 0.00 -0.50 -0.41 119.26 126.55 3hr1 h ALA 662 Ca 0.10 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3hr1 h ALA 662 Cb 0.07 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 3hr1 h ALA 662 CO -0.10 0.18 -0.06 0.00 0.00 0.00 0.00 179.25 179.26 3hr1 h ASP 664 N -0.23 0.75 -0.28 0.00 3.58 -0.22 -2.18 116.42 117.84 3hr1 h ASP 664 Ca 0.01 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.51 3hr1 h ASP 664 Cb 0.56 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.50 3hr1 h ASP 664 CO 0.02 0.39 0.00 0.18 -2.88 0.00 0.00 179.24 176.95 3hr1 n LEU 665 N -4.58 2.11 0.09 2.28 4.77 -0.20 -4.62 117.00 116.86 3hr1 n LEU 665 Ca 0.18 -0.94 0.08 0.00 -0.03 0.00 0.00 56.01 55.29 3hr1 n LEU 665 Cb 0.42 -0.18 0.38 0.00 -2.33 0.00 0.00 43.42 41.71 3hr1 n LEU 665 CO 0.29 0.47 0.74 0.00 -1.33 0.00 0.00 177.39 177.56 3hr1 h SER 667 N 0.00 0.00 -0.04 0.00 0.02 -1.84 0.95 113.55 112.65 3hr1 h SER 667 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3hr1 h SER 667 Cb 0.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.65 3hr1 h SER 667 CO 0.00 0.00 0.00 1.33 -1.14 0.00 0.00 176.83 177.02 3hr1 n VAL 668 N -3.97 0.05 -0.08 2.27 0.24 -0.49 -3.19 118.33 113.16 3hr1 n VAL 668 Ca 0.04 -0.10 0.04 0.00 -2.04 0.00 0.00 64.34 62.29 3hr1 n VAL 668 Cb 0.42 -0.12 0.11 0.00 -1.47 0.00 0.00 33.84 32.79 3hr1 n VAL 668 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3hr1 n THR 669 N -0.50 0.90 -2.32 3.34 -2.24 0.32 -3.80 114.28 109.98 3hr1 n THR 669 Ca 0.16 -0.95 -0.26 0.00 -2.27 0.00 0.00 64.05 60.74 3hr1 n THR 669 Cb 0.15 0.57 0.13 0.00 -2.10 0.00 0.00 70.33 69.09 3hr1 n THR 669 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3hr1 s LYS 670 N -0.97 1.34 0.64 -0.78 -0.14 -1.19 -4.55 119.74 114.09 3hr1 s LYS 670 Ca 0.17 -0.80 -0.15 0.00 -1.36 0.00 0.00 55.97 53.83 3hr1 s LYS 670 Cb 0.09 -2.14 -0.01 0.00 -1.68 0.00 0.00 37.83 34.08 3hr1 s LYS 670 CO 0.12 -1.78 1.08 -0.51 -0.76 0.00 0.00 175.35 173.50 3hr1 s LEU 671 N -5.42 3.40 0.23 3.17 1.43 -1.26 -4.67 118.68 115.55 3hr1 s LEU 671 Ca 0.69 1.89 -0.09 0.00 -1.03 0.00 0.00 54.13 55.59 3hr1 s LEU 671 Cb -0.05 -4.54 0.36 0.00 0.03 0.00 0.00 46.19 41.99 3hr1 s LEU 671 CO 0.47 -1.45 1.66 -0.25 0.23 0.00 0.00 176.35 177.02 3hr1 h TRP 672 N 0.09 0.02 -0.79 0.29 -0.00 -1.96 -1.03 115.95 112.57 3hr1 h TRP 672 Ca -0.46 0.05 0.05 0.00 -0.00 0.00 0.00 58.89 58.53 3hr1 h TRP 672 Cb 1.23 0.09 -0.05 0.00 -0.00 0.00 0.00 29.16 30.44 3hr1 h TRP 672 CO 0.57 -0.16 0.52 -1.35 -0.00 0.00 0.00 178.44 178.02 3hr1 h PRO 673 N 0.15 0.87 0.14 2.65 0.11 -1.99 0.26 132.00 134.18 3hr1 h PRO 673 Ca 0.36 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.41 3hr1 h PRO 673 Cb 0.60 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.51 3hr1 h PRO 673 CO -0.55 0.58 -0.07 0.28 -0.21 0.00 0.00 178.00 178.03 3hr1 h VAL 674 N 0.90 1.01 -0.37 3.15 2.07 -1.59 -2.53 116.25 118.90 3hr1 h VAL 674 Ca 0.33 -0.81 0.07 0.00 0.82 0.00 0.00 66.70 67.11 3hr1 h VAL 674 Cb 0.17 1.50 -0.06 0.00 -1.52 0.00 0.00 31.29 31.38 3hr1 h VAL 674 CO -0.11 0.19 0.01 0.74 0.02 0.00 0.00 177.57 178.41 3hr1 h THR 675 N -0.59 0.73 -0.38 2.57 2.02 -0.77 0.10 112.91 116.59 3hr1 h THR 675 Ca -0.02 -0.04 0.05 0.00 0.77 0.00 0.00 66.41 67.17 3hr1 h THR 675 Cb 0.45 0.61 -0.04 0.00 -1.74 0.00 0.00 68.15 67.43 3hr1 h THR 675 CO 0.03 0.02 0.12 0.50 0.37 0.00 0.00 175.52 176.57 3hr1 h LYS 676 N 0.11 0.27 -0.50 6.66 3.64 -0.56 -1.69 116.57 124.50 3hr1 h LYS 676 Ca 0.18 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.45 3hr1 h LYS 676 Cb 0.25 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 3hr1 h LYS 676 CO -0.30 0.18 -0.05 -0.07 -2.27 0.00 0.00 179.45 176.94 3hr1 h LEU 677 N 0.27 0.92 -1.39 5.20 3.38 -1.11 -3.04 115.31 119.54 3hr1 h LEU 677 Ca 0.18 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 3hr1 h LEU 677 Cb 0.16 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 3hr1 h LEU 677 CO -0.19 1.03 0.09 0.74 0.09 0.00 0.00 178.44 180.21 3hr1 h THR 678 N 0.78 1.16 -0.81 0.22 2.02 -0.59 -1.92 112.91 113.77 3hr1 h THR 678 Ca 0.14 -0.55 0.09 0.00 0.77 0.00 0.00 66.41 66.86 3hr1 h THR 678 Cb 0.59 0.80 -0.06 0.00 -1.74 0.00 0.00 68.15 67.75 3hr1 h THR 678 CO 0.04 0.20 0.53 0.00 0.37 0.00 0.00 175.52 176.65 3hr1 h ALA 679 N 1.61 1.74 -0.78 6.16 0.00 -1.19 -0.21 119.26 126.59 3hr1 h ALA 679 Ca 0.12 -0.01 0.16 0.00 0.00 0.00 0.00 54.91 55.18 3hr1 h ALA 679 Cb 0.18 -0.18 -0.10 0.00 0.00 0.00 0.00 17.79 17.69 3hr1 h ALA 679 CO -0.01 0.10 0.31 -0.91 0.00 0.00 0.00 179.25 178.74 3hr1 h ASN 680 N 0.76 0.28 -0.21 0.00 2.35 -1.42 -2.08 115.58 115.25 3hr1 h ASN 680 Ca 0.37 0.12 -0.15 0.00 -0.55 0.00 0.00 56.30 56.09 3hr1 h ASN 680 Cb 0.43 0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.90 3hr1 h ASN 680 CO -0.14 0.08 -0.47 0.44 -1.65 0.00 0.00 177.43 175.69 3hr1 h ASP 681 N 0.43 0.77 -0.23 5.81 3.32 -1.13 -1.34 116.42 124.06 3hr1 h ASP 681 Ca 0.44 -0.56 -0.02 0.00 0.02 0.00 0.00 57.03 56.91 3hr1 h ASP 681 Cb 0.70 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 3hr1 h ASP 681 CO -0.43 1.19 0.06 -0.29 -1.72 0.00 0.00 179.24 178.05 3hr1 h ILE 682 N 0.39 1.20 -0.21 0.35 6.09 -1.35 -2.82 117.51 121.16 3hr1 h ILE 682 Ca 0.00 -0.65 -0.05 0.00 -1.37 0.00 0.00 64.86 62.79 3hr1 h ILE 682 Cb 1.08 1.20 -0.01 0.00 0.47 0.00 0.00 36.82 39.55 3hr1 h ILE 682 CO 0.10 0.21 -0.08 1.88 -3.07 0.00 0.00 178.15 177.19 3hr1 h TYR 683 N 0.20 0.34 -0.64 2.19 0.05 -1.42 -0.85 116.97 116.85 3hr1 h TYR 683 Ca 0.07 -0.03 0.08 0.00 0.05 0.00 0.00 58.73 58.90 3hr1 h TYR 683 Cb 0.26 -0.10 -0.06 0.00 1.01 0.00 0.00 36.73 37.84 3hr1 h TYR 683 CO 0.01 0.41 0.30 0.00 -1.05 0.00 0.00 178.16 177.83 3hr1 h ALA 684 N 1.61 0.85 0.10 3.88 0.00 -1.03 0.18 119.26 124.85 3hr1 h ALA 684 Ca 0.07 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3hr1 h ALA 684 Cb 0.34 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3hr1 h ALA 684 CO 0.02 -0.08 -0.05 0.93 0.00 0.00 0.00 179.25 180.06 3hr1 h GLU 685 N 0.54 -0.13 -0.59 0.00 5.08 -1.16 -2.66 114.58 115.66 3hr1 h GLU 685 Ca 0.31 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.72 3hr1 h GLU 685 Cb 0.30 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.54 3hr1 h GLU 685 CO -0.25 0.19 0.33 0.74 -1.00 0.00 0.00 179.01 179.02 3hr1 h PHE 686 N -0.47 0.61 -0.54 4.33 0.04 -0.87 -0.44 116.94 119.61 3hr1 h PHE 686 Ca -0.01 0.02 -0.08 0.00 2.80 0.00 0.00 57.97 60.70 3hr1 h PHE 686 Cb 0.39 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 38.32 3hr1 h PHE 686 CO 0.03 0.32 0.02 -1.49 -0.60 0.00 0.00 178.31 176.59 3hr1 h TRP 687 N 0.64 0.97 -0.66 -0.55 6.55 -0.73 0.11 115.95 122.27 3hr1 h TRP 687 Ca 0.25 -0.14 -0.01 0.00 0.95 0.00 0.00 58.89 59.94 3hr1 h TRP 687 Cb 0.10 -0.26 -0.03 0.00 -0.86 0.00 0.00 29.16 28.11 3hr1 h TRP 687 CO -0.08 0.87 0.36 0.00 -1.05 0.00 0.00 178.44 178.54 3hr1 h ALA 688 N 1.17 0.85 -0.69 1.49 0.00 -1.06 -0.22 119.26 120.80 3hr1 h ALA 688 Ca 0.16 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3hr1 h ALA 688 Cb 0.47 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3hr1 h ALA 688 CO 0.02 0.37 0.41 1.49 0.00 0.00 0.00 179.25 181.54 3hr1 h GLU 689 N 0.91 0.93 -0.60 0.00 4.81 -0.65 -1.52 114.58 118.47 3hr1 h GLU 689 Ca 0.23 -0.09 0.07 0.00 -0.13 0.00 0.00 59.36 59.45 3hr1 h GLU 689 Cb 0.04 -0.20 -0.06 0.00 0.63 0.00 0.00 28.75 29.17 3hr1 h GLU 689 CO -0.04 0.67 0.28 0.78 -0.73 0.00 0.00 179.01 179.97 3hr1 h GLY 690 N 0.94 0.86 0.58 1.92 0.00 -0.37 0.13 103.07 107.13 3hr1 h GLY 690 Ca 0.25 -0.18 0.05 0.00 0.00 0.00 0.00 47.33 47.44 3hr1 h GLY 690 CO -0.05 0.07 -0.02 -0.55 0.00 0.00 0.00 176.54 175.99 3hr1 h ASP 691 N 0.52 -0.13 -0.71 0.19 3.32 -0.68 -1.28 116.42 117.63 3hr1 h ASP 691 Ca 0.28 0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.37 3hr1 h ASP 691 Cb 0.26 0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.89 3hr1 h ASP 691 CO -0.23 -0.04 0.36 -0.33 -1.72 0.00 0.00 179.24 177.29 3hr1 h GLU 692 N 0.06 1.03 0.15 3.56 4.39 -0.40 -0.81 114.58 122.56 3hr1 h GLU 692 Ca 0.12 -0.13 0.01 0.00 0.34 0.00 0.00 59.36 59.70 3hr1 h GLU 692 Cb 0.16 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.60 3hr1 h GLU 692 CO -0.22 0.79 -0.20 0.52 -1.16 0.00 0.00 179.01 178.74 3hr1 h MET 693 N 1.03 -0.39 -0.92 2.33 2.86 -0.36 -1.11 114.93 118.38 3hr1 h MET 693 Ca 0.25 0.03 0.15 0.00 -2.06 0.00 0.00 59.70 58.07 3hr1 h MET 693 Cb 0.09 0.09 -0.10 0.00 0.06 0.00 0.00 31.60 31.74 3hr1 h MET 693 CO -0.03 -0.26 0.52 0.87 1.06 0.00 0.00 176.91 179.07 3hr1 h LYS 694 N -0.40 0.71 0.00 1.72 1.57 -0.74 0.84 116.57 120.27 3hr1 h LYS 694 Ca 0.01 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 3hr1 h LYS 694 Cb 0.40 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 3hr1 h LYS 694 CO -0.08 0.47 -0.18 0.87 -0.57 0.00 0.00 179.45 179.96 3hr1 h LYS 695 N 0.73 0.00 0.00 3.15 1.57 -0.71 -0.65 116.57 120.66 3hr1 h LYS 695 Ca 0.50 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.28 3hr1 h LYS 695 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.99 3hr1 h LYS 695 CO -0.35 0.18 0.00 1.28 -0.57 0.00 0.00 179.45 179.99 3hr1 n LEU 696 N -3.54 0.00 -0.11 2.94 4.77 0.18 -4.91 117.00 116.33 3hr1 n LEU 696 Ca -0.01 0.39 -0.01 0.00 -0.03 0.00 0.00 56.01 56.35 3hr1 n LEU 696 Cb 0.33 -0.39 -0.00 0.00 -2.33 0.00 0.00 43.42 41.03 3hr1 n LEU 696 CO 0.32 -0.04 -0.01 0.61 -1.33 0.00 0.00 177.39 176.94 3hr1 n GLY 697 N 1.11 0.35 3.15 -0.72 0.00 -0.25 -5.07 105.19 103.76 3hr1 n GLY 697 Ca 0.10 -0.88 -0.31 0.00 0.00 0.00 0.00 46.02 44.92 3hr1 n GLY 697 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hr1 s ILE 698 N -2.05 1.91 -0.13 -0.61 1.01 -0.55 -4.99 121.20 115.80 3hr1 s ILE 698 Ca 0.00 -0.90 -0.29 0.00 0.00 0.00 0.00 60.65 59.45 3hr1 s ILE 698 Cb 0.00 -1.69 -0.05 0.00 0.01 0.00 0.00 42.46 40.73 3hr1 s ILE 698 CO 0.00 0.52 1.76 -1.58 0.00 0.00 0.00 174.94 175.65 3hr1 s GLN 699 N 0.74 3.89 0.75 2.79 2.00 -1.26 -2.53 119.66 126.04 3hr1 s GLN 699 Ca -0.10 2.03 -0.11 0.00 -2.00 0.00 0.00 55.36 55.18 3hr1 s GLN 699 Cb -0.16 -4.08 0.04 0.00 0.80 0.00 0.00 33.01 29.61 3hr1 s GLN 699 CO 0.01 -1.20 1.08 -1.25 -0.50 0.00 0.00 175.29 173.42 3hr1 s PRO 700 N 4.66 2.44 0.71 1.67 0.04 -1.26 -5.00 135.00 138.26 3hr1 s PRO 700 Ca 0.78 1.03 -0.15 0.00 0.04 0.00 0.00 61.00 62.70 3hr1 s PRO 700 Cb -0.31 -1.93 0.03 0.00 0.04 0.00 0.00 34.50 32.33 3hr1 s PRO 700 CO 0.32 -1.47 1.17 0.96 0.04 0.00 0.00 177.00 178.02 3hr1 s ILE 701 N -2.98 2.60 0.32 0.56 -4.36 -1.26 -4.79 121.20 111.29 3hr1 s ILE 701 Ca 0.60 0.29 0.07 0.00 -0.26 0.00 0.00 60.65 61.34 3hr1 s ILE 701 Cb -0.16 -2.82 0.31 0.00 1.25 0.00 0.00 42.46 41.04 3hr1 s ILE 701 CO 0.56 -0.17 1.80 -0.65 0.24 0.00 0.00 174.94 176.72 3hr1 h PRO 702 N -0.25 0.74 -0.68 0.37 0.11 -1.95 -0.89 132.00 129.45 3hr1 h PRO 702 Ca -0.47 -0.04 0.15 0.00 0.11 0.00 0.00 66.00 65.74 3hr1 h PRO 702 Cb 1.28 -0.17 -0.04 0.00 0.11 0.00 0.00 31.00 32.18 3hr1 h PRO 702 CO 0.51 0.49 0.46 1.98 -0.21 0.00 0.00 178.00 181.23 3hr1 h MET 703 N 0.77 0.28 -0.02 1.05 1.85 -1.95 -1.39 114.93 115.52 3hr1 h MET 703 Ca 0.54 -0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.62 3hr1 h MET 703 Cb 0.84 -0.06 0.00 0.00 0.43 0.00 0.00 31.60 32.81 3hr1 h MET 703 CO -0.32 0.19 -0.32 -1.33 -0.40 0.00 0.00 176.91 174.72 3hr1 n MET 704 N -4.45 1.42 -3.25 0.39 2.81 -0.36 -4.63 117.12 109.06 3hr1 n MET 704 Ca 0.13 -1.13 -0.44 0.00 -1.81 0.00 0.00 57.70 54.45 3hr1 n MET 704 Cb 0.54 -1.48 -0.07 0.00 -0.71 0.00 0.00 33.22 31.50 3hr1 n MET 704 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3hr1 s ASP 705 N -2.36 6.21 0.60 7.83 -1.08 -0.53 -3.21 116.67 124.14 3hr1 s ASP 705 Ca 0.22 -0.88 0.31 0.00 -0.52 0.00 0.00 52.55 51.68 3hr1 s ASP 705 Cb 0.19 -2.25 1.78 0.00 -1.46 0.00 0.00 42.92 41.18 3hr1 s ASP 705 CO 0.50 -0.74 2.15 0.08 0.52 0.00 0.00 175.17 177.68 3hr1 h ARG 706 N 8.86 0.00 0.00 4.34 0.11 -1.84 -0.04 114.38 125.81 3hr1 h ARG 706 Ca -0.27 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.81 3hr1 h ARG 706 Cb 1.10 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.18 3hr1 h ARG 706 CO 0.89 0.00 -0.01 -0.44 0.10 0.00 0.00 179.97 180.51 3hr1 h ASP 707 N 0.00 0.00 -0.50 0.08 3.32 -1.92 -2.36 116.42 115.04 3hr1 h ASP 707 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3hr1 h ASP 707 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 3hr1 h ASP 707 CO -0.00 0.01 0.00 0.29 -1.72 0.00 0.00 179.24 177.82 3hr1 n LYS 708 N -3.22 3.69 0.28 3.56 4.76 -0.03 -4.68 118.16 122.52 3hr1 n LYS 708 Ca -0.02 -2.84 0.13 0.00 -2.87 0.00 0.00 58.31 52.70 3hr1 n LYS 708 Cb 0.12 -1.89 0.82 0.00 -1.84 0.00 0.00 35.03 32.24 3hr1 n LYS 708 CO 0.00 0.00 0.00 0.07 -1.37 0.00 0.00 177.40 176.10 3hr1 h ARG 709 N 3.24 0.00 0.00 1.97 0.11 -1.53 -0.51 114.38 117.65 3hr1 h ARG 709 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3hr1 h ARG 709 Cb 1.48 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.56 3hr1 h ARG 709 CO 0.26 0.00 0.00 -0.44 0.10 0.00 0.00 179.97 179.89 3hr1 h ASP 710 N 0.00 0.00 -0.27 0.08 3.32 -1.85 -2.29 116.42 115.41 3hr1 h ASP 710 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hr1 h ASP 710 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3hr1 h ASP 710 CO 0.00 0.00 0.00 -0.62 -1.72 0.00 0.00 179.24 176.90 3hr1 n GLU 711 N -2.92 1.88 -0.24 3.56 1.02 -0.20 -4.47 120.64 119.26 3hr1 n GLU 711 Ca -0.02 -1.34 0.03 0.00 -0.02 0.00 0.00 57.16 55.81 3hr1 n GLU 711 Cb 0.12 -1.38 0.12 0.00 -0.02 0.00 0.00 31.44 30.28 3hr1 n GLU 711 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3hr1 h VAL 712 N 2.51 0.34 -0.89 2.62 2.07 -1.56 0.43 116.25 121.77 3hr1 h VAL 712 Ca 0.00 -0.02 0.02 0.00 0.82 0.00 0.00 66.70 67.52 3hr1 h VAL 712 Cb 0.56 0.27 -0.05 0.00 -1.52 0.00 0.00 31.29 30.55 3hr1 h VAL 712 CO 0.00 0.01 0.59 -0.65 0.02 0.00 0.00 177.57 177.54 3hr1 h PRO 713 N 0.06 1.14 -0.56 1.57 0.11 -1.86 0.15 132.00 132.62 3hr1 h PRO 713 Ca 0.37 -0.07 -0.10 0.00 0.11 0.00 0.00 66.00 66.31 3hr1 h PRO 713 Cb 0.63 -0.26 -0.02 0.00 0.11 0.00 0.00 31.00 31.46 3hr1 h PRO 713 CO -0.67 0.76 -0.04 1.96 -0.21 0.00 0.00 178.00 179.79 3hr1 h GLN 714 N 1.18 1.02 -0.49 1.05 7.50 -1.64 -0.98 115.11 122.75 3hr1 h GLN 714 Ca 0.34 -0.35 -0.02 0.00 0.50 0.00 0.00 58.65 59.12 3hr1 h GLN 714 Cb -0.09 -0.08 -0.02 0.00 0.05 0.00 0.00 27.48 27.34 3hr1 h GLN 714 CO -0.09 1.04 0.24 0.78 -1.50 0.00 0.00 178.83 179.30 3hr1 h GLY 715 N 0.91 0.75 0.96 3.46 0.00 -0.23 -1.85 103.07 107.08 3hr1 h GLY 715 Ca 0.15 -0.37 -0.00 0.00 0.00 0.00 0.00 47.33 47.12 3hr1 h GLY 715 CO 0.04 0.35 0.13 1.46 0.00 0.00 0.00 176.54 178.51 3hr1 h GLN 716 N 0.65 0.30 -0.64 4.80 1.08 -0.56 -1.50 115.11 119.23 3hr1 h GLN 716 Ca 0.17 -0.03 0.13 0.00 -1.45 0.00 0.00 58.65 57.47 3hr1 h GLN 716 Cb 0.10 -0.06 -0.10 0.00 -0.05 0.00 0.00 27.48 27.37 3hr1 h GLN 716 CO -0.02 0.26 0.05 1.25 -0.95 0.00 0.00 178.83 179.42 3hr1 h LEU 717 N 0.26 -0.18 -0.44 1.46 5.85 -1.02 0.26 115.31 121.49 3hr1 h LEU 717 Ca 0.08 0.15 0.03 0.00 0.84 0.00 0.00 57.88 58.97 3hr1 h LEU 717 Cb 0.04 0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 3hr1 h LEU 717 CO -0.01 -0.08 0.25 1.23 -0.34 0.00 0.00 178.44 179.48 3hr1 h GLY 718 N 0.17 0.62 0.88 3.75 0.00 -0.84 -1.25 103.07 106.39 3hr1 h GLY 718 Ca 0.34 -0.18 -0.03 0.00 0.00 0.00 0.00 47.33 47.45 3hr1 h GLY 718 CO -0.51 0.15 0.04 -2.75 0.00 0.00 0.00 176.54 173.47 3hr1 h PHE 719 N 0.50 0.50 -0.41 5.60 3.57 -0.26 0.52 116.94 126.96 3hr1 h PHE 719 Ca 0.18 -0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.60 3hr1 h PHE 719 Cb 0.04 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.63 3hr1 h PHE 719 CO -0.08 0.57 0.22 1.88 -2.23 0.00 0.00 178.31 178.67 3hr1 h TYR 720 N 0.28 0.56 -0.44 0.41 -1.99 -0.90 -0.30 116.97 114.59 3hr1 h TYR 720 Ca 0.08 -0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.79 3hr1 h TYR 720 Cb 0.35 -0.18 -0.02 0.00 2.00 0.00 0.00 36.73 38.88 3hr1 h TYR 720 CO 0.02 0.43 0.23 -0.91 -0.00 0.00 0.00 178.16 177.94 3hr1 h ASN 721 N 0.53 0.56 1.00 3.88 2.35 -1.03 0.16 115.58 123.02 3hr1 h ASN 721 Ca 0.14 -0.10 -0.10 0.00 -0.55 0.00 0.00 56.30 55.70 3hr1 h ASN 721 Cb 0.06 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.27 3hr1 h ASN 721 CO -0.02 0.50 -1.06 0.00 -1.65 0.00 0.00 177.43 175.20 3hr1 h ALA 722 N 1.08 0.63 0.00 -0.83 0.00 -0.82 -3.41 119.26 115.91 3hr1 h ALA 722 Ca 0.15 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3hr1 h ALA 722 Cb 0.07 0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3hr1 h ALA 722 CO -0.02 0.53 0.00 0.28 0.00 0.00 0.00 179.25 180.04 3hr1 n VAL 723 N -2.89 0.37 0.10 0.00 0.31 -0.19 -4.83 118.33 111.20 3hr1 n VAL 723 Ca -0.04 0.12 -0.13 0.00 -0.01 0.00 0.00 64.34 64.28 3hr1 n VAL 723 Cb 0.71 -0.82 -0.08 0.00 -0.91 0.00 0.00 33.84 32.74 3hr1 n VAL 723 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hr1 h ALA 724 N 0.00 -0.25 0.03 3.52 0.00 -1.27 -0.86 119.26 120.42 3hr1 h ALA 724 Ca 0.00 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 3hr1 h ALA 724 Cb 0.00 0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3hr1 h ALA 724 CO 0.00 -0.49 -0.01 0.82 0.00 0.00 0.00 179.25 179.57 3hr1 h ILE 725 N -0.55 1.02 -0.87 0.00 1.08 -1.22 -1.53 117.51 115.45 3hr1 h ILE 725 Ca -0.03 -0.14 0.09 0.00 -0.39 0.00 0.00 64.86 64.39 3hr1 h ILE 725 Cb 0.41 1.11 -0.07 0.00 -3.07 0.00 0.00 36.82 35.20 3hr1 h ILE 725 CO 0.04 0.04 0.52 -0.65 -0.69 0.00 0.00 178.15 177.40 3hr1 h PRO 726 N -0.09 0.86 0.44 2.37 0.11 -1.75 0.11 132.00 134.05 3hr1 h PRO 726 Ca -0.00 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.04 3hr1 h PRO 726 Cb 0.08 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 30.99 3hr1 h PRO 726 CO 0.01 0.57 -0.33 0.00 -0.21 0.00 0.00 178.00 178.04 3hr1 h TYR 728 N -0.76 0.00 -0.04 0.00 0.05 -1.14 -0.87 116.97 114.22 3hr1 h TYR 728 Ca -0.04 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.74 3hr1 h TYR 728 Cb 0.64 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.38 3hr1 h TYR 728 CO -0.14 0.47 0.02 1.15 -1.05 0.00 0.00 178.16 178.61 3hr1 h THR 729 N 0.00 1.11 -0.65 -2.88 2.02 -0.79 -1.05 112.91 110.68 3hr1 h THR 729 Ca -0.00 -0.32 -0.05 0.00 0.77 0.00 0.00 66.41 66.81 3hr1 h THR 729 Cb 0.92 1.26 -0.03 0.00 -1.74 0.00 0.00 68.15 68.55 3hr1 h THR 729 CO 0.06 0.09 0.22 0.74 0.37 0.00 0.00 175.52 177.00 3hr1 h THR 730 N -0.07 1.25 -0.61 3.16 2.02 -0.87 -2.00 112.91 115.79 3hr1 h THR 730 Ca 0.01 -0.82 -0.00 0.00 0.77 0.00 0.00 66.41 66.37 3hr1 h THR 730 Cb 0.13 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 3hr1 h THR 730 CO -0.00 0.32 0.37 0.25 0.37 0.00 0.00 175.52 176.82 3hr1 h LEU 731 N 0.93 0.73 -0.91 2.58 5.85 -1.07 -2.49 115.31 120.92 3hr1 h LEU 731 Ca 0.21 -0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.78 3hr1 h LEU 731 Cb 0.27 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 3hr1 h LEU 731 CO -0.01 0.57 -0.18 0.74 -0.34 0.00 0.00 178.44 179.22 3hr1 h THR 732 N 0.82 1.26 -0.72 1.05 2.02 -0.93 0.38 112.91 116.79 3hr1 h THR 732 Ca 0.22 -1.20 0.02 0.00 0.77 0.00 0.00 66.41 66.22 3hr1 h THR 732 Cb -0.02 1.21 -0.04 0.00 -1.74 0.00 0.00 68.15 67.55 3hr1 h THR 732 CO -0.04 0.39 0.47 1.56 0.37 0.00 0.00 175.52 178.27 3hr1 h GLN 733 N 0.54 0.91 0.24 6.66 4.20 -1.04 -1.21 115.11 125.41 3hr1 h GLN 733 Ca 0.09 -0.05 -0.34 0.00 0.06 0.00 0.00 58.65 58.40 3hr1 h GLN 733 Cb 0.62 -0.21 0.03 0.00 0.30 0.00 0.00 27.48 28.23 3hr1 h GLN 733 CO 0.04 0.60 -1.51 0.82 -0.67 0.00 0.00 178.83 178.12 3hr1 h ILE 734 N 0.94 1.25 -2.79 2.54 2.04 -1.15 -3.40 117.51 116.93 3hr1 h ILE 734 Ca 0.28 -2.70 -0.61 0.00 1.00 0.00 0.00 64.86 62.83 3hr1 h ILE 734 Cb -0.05 3.01 -0.40 0.00 -0.74 0.00 0.00 36.82 38.63 3hr1 h ILE 734 CO -0.08 0.82 -0.74 -0.76 0.00 0.00 0.00 178.15 177.39 3hr1 s LEU 735 N -7.53 3.34 0.37 1.44 1.43 0.13 -5.01 118.68 112.85 3hr1 s LEU 735 Ca -0.10 -3.47 0.17 0.00 -1.03 0.00 0.00 54.13 49.70 3hr1 s LEU 735 Cb 0.04 -1.12 1.10 0.00 0.03 0.00 0.00 46.19 46.25 3hr1 s LEU 735 CO 0.93 -0.13 1.70 -0.65 0.23 0.00 0.00 176.35 178.43 3hr1 h PRO 736 N 5.57 0.35 0.00 1.29 0.11 -1.44 0.06 132.00 137.93 3hr1 h PRO 736 Ca 0.19 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.27 3hr1 h PRO 736 Cb 0.83 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.86 3hr1 h PRO 736 CO 0.57 0.23 0.01 -2.30 -0.21 0.00 0.00 178.00 176.30 3hr1 n PRO 737 N -4.84 0.01 -0.01 1.05 -0.02 -1.26 -1.56 135.00 128.36 3hr1 n PRO 737 Ca 0.30 0.50 0.14 0.00 -2.02 0.00 0.00 63.50 62.42 3hr1 n PRO 737 Cb 0.98 -1.56 0.65 0.00 -0.02 0.00 0.00 33.50 33.55 3hr1 n PRO 737 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3hr1 n THR 738 N -1.56 0.03 -0.35 3.45 -2.24 0.01 -4.39 114.28 109.22 3hr1 n THR 738 Ca -0.00 -0.16 0.23 0.00 -2.27 0.00 0.00 64.05 61.86 3hr1 n THR 738 Cb 0.01 0.08 0.47 0.00 -2.10 0.00 0.00 70.33 68.79 3hr1 n THR 738 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3hr1 h GLU 739 N 1.33 0.37 -0.60 -0.78 4.81 -1.47 -1.05 114.58 117.19 3hr1 h GLU 739 Ca 0.00 -0.02 0.15 0.00 -0.13 0.00 0.00 59.36 59.36 3hr1 h GLU 739 Cb 0.28 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 3hr1 h GLU 739 CO 0.00 0.24 0.42 -1.35 -0.73 0.00 0.00 179.01 177.59 3hr1 h PRO 740 N 0.38 0.12 -0.18 0.92 0.11 -1.87 -0.30 132.00 131.18 3hr1 h PRO 740 Ca 0.70 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.79 3hr1 h PRO 740 Cb 1.62 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.69 3hr1 h PRO 740 CO -0.50 0.08 0.07 -0.07 -0.21 0.00 0.00 178.00 177.37 3hr1 h LEU 741 N 0.13 0.25 -0.48 2.35 3.38 -1.54 -1.23 115.31 118.17 3hr1 h LEU 741 Ca 0.29 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 3hr1 h LEU 741 Cb 0.96 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 3hr1 h LEU 741 CO -0.04 0.35 0.23 0.25 0.09 0.00 0.00 178.44 179.32 3hr1 h LEU 742 N 0.13 0.63 -0.32 1.67 5.85 -1.29 -1.14 115.31 120.83 3hr1 h LEU 742 Ca 0.06 -0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.70 3hr1 h LEU 742 Cb 0.18 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 3hr1 h LEU 742 CO -0.00 0.57 0.07 0.50 -0.34 0.00 0.00 178.44 179.24 3hr1 h LYS 743 N 0.63 0.19 -0.52 1.25 3.64 -1.01 -0.94 116.57 119.81 3hr1 h LYS 743 Ca 0.17 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.46 3hr1 h LYS 743 Cb 0.11 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 3hr1 h LYS 743 CO -0.02 0.12 0.03 0.00 -2.27 0.00 0.00 179.45 177.31 3hr1 h ALA 744 N 1.23 1.08 -0.36 5.00 0.00 -1.03 -1.32 119.26 123.87 3hr1 h ALA 744 Ca 0.15 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3hr1 h ALA 744 Cb 0.16 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3hr1 h ALA 744 CO -0.19 0.58 0.14 0.00 0.00 0.00 0.00 179.25 179.78 3hr1 h ARG 746 N 0.43 1.05 -0.55 0.00 3.08 -0.89 -0.42 114.38 117.08 3hr1 h ARG 746 Ca 0.12 -0.11 0.06 0.00 0.07 0.00 0.00 59.98 60.11 3hr1 h ARG 746 Cb 0.20 -0.21 -0.05 0.00 0.08 0.00 0.00 29.97 29.99 3hr1 h ARG 746 CO -0.01 0.77 0.27 -0.44 -1.07 0.00 0.00 179.97 179.49 3hr1 h ASP 747 N 1.05 0.37 -0.57 7.04 3.32 -0.95 -0.74 116.42 125.94 3hr1 h ASP 747 Ca 0.27 0.04 -0.10 0.00 0.02 0.00 0.00 57.03 57.25 3hr1 h ASP 747 Cb 0.01 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 3hr1 h ASP 747 CO -0.05 0.25 -0.05 0.78 -1.72 0.00 0.00 179.24 178.45 3hr1 h ASN 748 N 0.51 1.03 -0.44 6.45 -0.26 -0.85 -1.65 115.58 120.37 3hr1 h ASN 748 Ca 0.25 -0.33 0.09 0.00 -0.56 0.00 0.00 56.30 55.75 3hr1 h ASN 748 Cb 0.19 -0.28 -0.08 0.00 -1.06 0.00 0.00 38.32 37.09 3hr1 h ASN 748 CO -0.19 1.11 -0.09 0.25 -1.06 0.00 0.00 177.43 177.45 3hr1 h LEU 749 N 0.92 -0.37 -1.07 1.61 5.85 -0.73 -0.65 115.31 120.87 3hr1 h LEU 749 Ca 0.16 0.13 0.02 0.00 0.84 0.00 0.00 57.88 59.03 3hr1 h LEU 749 Cb 0.61 0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.85 3hr1 h LEU 749 CO 0.04 -0.13 0.63 0.78 -0.34 0.00 0.00 178.44 179.41 3hr1 h ASN 750 N 0.02 1.06 -0.65 1.25 2.35 -0.74 -1.18 115.58 117.68 3hr1 h ASN 750 Ca 0.21 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.93 3hr1 h ASN 750 Cb 0.32 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.41 3hr1 h ASN 750 CO -0.44 0.74 0.37 1.56 -1.65 0.00 0.00 177.43 178.01 3hr1 h GLN 751 N 1.23 0.90 -0.60 0.81 1.08 -0.54 0.49 115.11 118.49 3hr1 h GLN 751 Ca 0.36 -0.10 -0.05 0.00 -1.45 0.00 0.00 58.65 57.41 3hr1 h GLN 751 Cb -0.06 -0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 27.17 3hr1 h GLN 751 CO -0.10 0.67 0.16 -1.49 -0.95 0.00 0.00 178.83 177.12 3hr1 h TRP 752 N 0.88 0.98 -0.95 2.96 4.06 -0.47 -0.87 115.95 122.54 3hr1 h TRP 752 Ca 0.23 -0.11 0.03 0.00 2.06 0.00 0.00 58.89 61.10 3hr1 h TRP 752 Cb 0.02 -0.28 -0.05 0.00 -1.00 0.00 0.00 29.16 27.85 3hr1 h TRP 752 CO -0.01 0.82 0.62 0.93 -3.56 0.00 0.00 178.44 177.25 3hr1 h GLU 753 N 0.85 1.19 -0.39 0.49 5.08 -0.85 -2.00 114.58 118.96 3hr1 h GLU 753 Ca 0.19 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.45 3hr1 h GLU 753 Cb 0.32 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 3hr1 h GLU 753 CO -0.00 0.79 0.12 -0.22 -1.00 0.00 0.00 179.01 178.69 3hr1 h LYS 754 N 1.22 0.60 -0.70 2.33 3.64 -0.35 -1.87 116.57 121.45 3hr1 h LYS 754 Ca 0.37 -0.13 0.12 0.00 -1.27 0.00 0.00 60.65 59.74 3hr1 h LYS 754 Cb -0.04 -0.09 -0.08 0.00 -0.41 0.00 0.00 32.23 31.61 3hr1 h LYS 754 CO -0.10 0.61 0.27 0.28 -2.27 0.00 0.00 179.45 178.24 3hr1 h VAL 755 N 0.48 0.71 -0.70 2.00 2.07 -0.72 -2.22 116.25 117.87 3hr1 h VAL 755 Ca 0.12 -0.15 -0.05 0.00 0.82 0.00 0.00 66.70 67.45 3hr1 h VAL 755 Cb 0.26 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.23 3hr1 h VAL 755 CO -0.00 0.08 0.25 0.40 0.02 0.00 0.00 177.57 178.32 3hr1 h ILE 756 N 0.44 1.25 0.00 4.57 2.04 -1.00 -3.52 117.51 121.29 3hr1 h ILE 756 Ca 0.37 -0.81 0.00 0.00 1.00 0.00 0.00 64.86 65.41 3hr1 h ILE 756 Cb 0.51 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 37.06 3hr1 h ILE 756 CO -0.36 0.32 0.00 0.54 0.00 0.00 0.00 178.15 178.65