#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ouu s HIS 447 N 0.00 3.43 -0.14 7.33 5.65 -1.26 -5.03 115.29 125.27 2ouu s HIS 447 Ca 0.00 1.33 -0.02 0.00 0.25 0.00 0.00 55.06 56.62 2ouu s HIS 447 Cb 0.00 -3.44 -0.02 0.00 -1.18 0.00 0.00 32.58 27.94 2ouu s HIS 447 CO 0.00 -1.30 -0.07 -1.64 -0.65 0.00 0.00 174.74 171.07 2ouu s MET 448 N 0.54 3.49 0.50 2.88 1.00 -1.26 -5.10 119.30 121.34 2ouu s MET 448 Ca 0.57 -0.58 -0.20 0.00 0.00 0.00 0.00 55.69 55.48 2ouu s MET 448 Cb -0.31 -2.78 -0.08 0.00 0.00 0.00 0.00 34.83 31.66 2ouu s MET 448 CO 0.32 0.27 1.03 -1.12 0.00 0.00 0.00 175.02 175.53 2ouu s SER 449 N 0.25 6.31 0.20 3.03 0.01 -1.26 -5.06 113.70 117.18 2ouu s SER 449 Ca -0.05 1.89 0.08 0.00 1.31 0.00 0.00 55.95 59.17 2ouu s SER 449 Cb -0.14 -2.55 -0.05 0.00 0.21 0.00 0.00 66.02 63.48 2ouu s SER 449 CO 0.04 -0.80 -0.15 0.27 0.41 0.00 0.00 173.24 173.01 2ouu s ILE 450 N -2.08 1.74 0.64 1.44 -4.36 -1.26 -4.75 121.20 112.58 2ouu s ILE 450 Ca 0.66 -2.21 -0.12 0.00 -0.26 0.00 0.00 60.65 58.73 2ouu s ILE 450 Cb -0.16 -2.04 -0.02 0.00 1.25 0.00 0.00 42.46 41.49 2ouu s ILE 450 CO 0.22 -0.59 1.04 0.00 0.24 0.00 0.00 174.94 175.85 2ouu s THR 452 N -3.03 2.42 0.14 0.00 -4.23 -1.26 -4.92 115.64 104.77 2ouu s THR 452 Ca 0.57 -0.27 -0.15 0.00 -1.18 0.00 0.00 61.69 60.66 2ouu s THR 452 Cb -0.13 -3.04 0.01 0.00 1.34 0.00 0.00 72.50 70.68 2ouu s THR 452 CO 0.52 -0.04 1.68 0.28 -0.54 0.00 0.00 174.62 176.52 2ouu h SER 453 N -0.51 0.60 -0.89 3.99 0.02 -2.00 -2.34 113.55 112.43 2ouu h SER 453 Ca -0.44 -0.18 0.11 0.00 -0.84 0.00 0.00 61.79 60.44 2ouu h SER 453 Cb 1.31 -0.16 -0.08 0.00 0.14 0.00 0.00 62.40 63.61 2ouu h SER 453 CO 0.60 0.62 0.52 -0.33 -1.14 0.00 0.00 176.83 177.09 2ouu h GLU 454 N 0.55 0.81 0.30 3.45 3.07 -1.98 -1.13 114.58 119.66 2ouu h GLU 454 Ca 0.14 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 58.94 2ouu h GLU 454 Cb 0.21 -0.18 0.00 0.00 -0.84 0.00 0.00 28.75 27.94 2ouu h GLU 454 CO -0.01 0.54 -0.14 0.93 -1.40 0.00 0.00 179.01 178.93 2ouu h GLU 455 N 0.84 -0.39 0.00 2.33 5.08 -1.81 0.02 114.58 120.65 2ouu h GLU 455 Ca 0.44 0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.81 2ouu h GLU 455 Cb 0.44 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 2ouu h GLU 455 CO -0.27 -0.11 -0.08 0.11 -1.00 0.00 0.00 179.01 177.66 2ouu h TRP 456 N -0.64 0.00 -0.02 4.33 5.08 -1.38 -2.57 115.95 120.75 2ouu h TRP 456 Ca -0.04 0.00 -0.26 0.00 1.08 0.00 0.00 58.89 59.67 2ouu h TRP 456 Cb 0.46 0.00 0.02 0.00 -3.00 0.00 0.00 29.16 26.64 2ouu h TRP 456 CO 0.00 0.08 -1.02 0.37 -1.28 0.00 0.00 178.44 176.60 2ouu h GLN 457 N 0.00 0.71 -0.75 0.12 4.15 -1.24 -2.37 115.11 115.73 2ouu h GLN 457 Ca -0.00 -0.74 -0.01 0.00 0.77 0.00 0.00 58.65 58.67 2ouu h GLN 457 Cb 0.97 0.21 -0.04 0.00 0.21 0.00 0.00 27.48 28.83 2ouu h GLN 457 CO 0.01 1.32 0.44 0.78 -1.93 0.00 0.00 178.83 179.45 2ouu h GLY 458 N 0.45 1.09 1.30 2.39 0.00 -0.89 -2.66 103.07 104.74 2ouu h GLY 458 Ca -0.12 -0.46 -0.12 0.00 0.00 0.00 0.00 47.33 46.62 2ouu h GLY 458 CO 0.20 0.45 -0.26 -2.00 0.00 0.00 0.00 176.54 174.93 2ouu h LEU 459 N 1.02 0.82 -1.40 3.11 5.85 -1.46 -1.60 115.31 121.66 2ouu h LEU 459 Ca 0.27 -0.31 0.03 0.00 0.84 0.00 0.00 57.88 58.71 2ouu h LEU 459 Cb -0.02 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.75 2ouu h LEU 459 CO -0.05 1.04 0.44 0.24 -0.34 0.00 0.00 178.44 179.76 2ouu h MET 460 N 0.69 0.76 -0.48 1.25 2.86 -1.08 -2.19 114.93 116.73 2ouu h MET 460 Ca 0.09 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 2ouu h MET 460 Cb 0.78 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.27 2ouu h MET 460 CO 0.06 0.51 0.00 0.00 1.06 0.00 0.00 176.91 178.54 2ouu n GLN 461 N -4.46 3.02 -2.67 1.72 10.64 -1.10 -4.99 117.38 119.55 2ouu n GLN 461 Ca 0.08 -2.45 -0.41 0.00 -1.83 0.00 0.00 57.00 52.39 2ouu n GLN 461 Cb 0.13 -1.53 -0.05 0.00 -0.86 0.00 0.00 30.24 27.93 2ouu n GLN 461 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.06 175.35 2ouu s PHE 462 N -1.39 3.82 -0.12 2.61 5.36 -0.61 -5.04 117.98 122.60 2ouu s PHE 462 Ca 0.37 1.80 0.02 0.00 -0.96 0.00 0.00 56.93 58.15 2ouu s PHE 462 Cb 0.22 -3.09 0.01 0.00 -0.34 0.00 0.00 43.02 39.82 2ouu s PHE 462 CO 0.21 0.07 -0.17 0.99 -1.46 0.00 0.00 175.22 174.86 2ouu s THR 463 N -0.64 1.64 0.65 0.12 2.01 -1.26 -5.02 115.64 113.15 2ouu s THR 463 Ca 0.45 -0.72 -0.16 0.00 0.31 0.00 0.00 61.69 61.56 2ouu s THR 463 Cb -0.26 -1.49 -0.00 0.00 0.01 0.00 0.00 72.50 70.75 2ouu s THR 463 CO 0.33 0.47 1.17 -0.76 -0.69 0.00 0.00 174.62 175.13 2ouu s LEU 464 N 1.02 3.47 0.41 4.42 1.43 -1.26 -4.95 118.68 123.22 2ouu s LEU 464 Ca -0.05 2.22 -0.26 0.00 -1.03 0.00 0.00 54.13 55.02 2ouu s LEU 464 Cb -0.15 -4.58 -0.08 0.00 0.03 0.00 0.00 46.19 41.41 2ouu s LEU 464 CO -0.03 -1.78 1.27 -2.16 0.23 0.00 0.00 176.35 173.88 2ouu s PRO 465 N -3.77 3.96 0.64 1.29 0.04 -1.26 -4.93 135.00 130.97 2ouu s PRO 465 Ca 0.72 2.08 -0.18 0.00 0.04 0.00 0.00 61.00 63.66 2ouu s PRO 465 Cb -0.26 -2.72 -0.01 0.00 0.04 0.00 0.00 34.50 31.55 2ouu s PRO 465 CO 0.39 -0.47 1.30 0.14 0.04 0.00 0.00 177.00 178.40 2ouu s VAL 466 N -1.30 2.02 0.00 -0.36 -7.23 -1.26 -2.66 120.40 109.61 2ouu s VAL 466 Ca 0.57 0.01 0.00 0.00 -1.81 0.00 0.00 61.98 60.76 2ouu s VAL 466 Cb -0.36 -3.01 0.00 0.00 0.56 0.00 0.00 36.38 33.57 2ouu s VAL 466 CO 0.46 -0.00 0.00 0.54 -0.31 0.00 0.00 175.10 175.79 2ouu n ARG 467 N -1.84 0.00 -0.21 4.82 5.12 -1.26 -4.84 116.66 118.45 2ouu n ARG 467 Ca 0.15 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.08 2ouu n ARG 467 Cb 0.48 -1.95 0.11 0.00 -1.16 0.00 0.00 32.46 29.94 2ouu n ARG 467 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 2ouu h LEU 468 N 0.00 0.28 -3.11 0.55 5.85 -1.89 -1.81 115.31 115.18 2ouu h LEU 468 Ca 0.00 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.79 2ouu h LEU 468 Cb 0.00 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.07 2ouu h LEU 468 CO 0.00 0.17 0.00 0.00 -0.34 0.00 0.00 178.44 178.27 2ouu h LYS 470 N 3.47 0.16 -0.81 0.00 3.64 -1.72 -2.11 116.57 119.20 2ouu h LYS 470 Ca 0.00 -0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 59.25 2ouu h LYS 470 Cb 1.68 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 33.39 2ouu h LYS 470 CO 0.38 0.10 0.16 0.39 -2.27 0.00 0.00 179.45 178.22 2ouu n GLU 471 N -5.22 3.12 0.32 1.90 1.02 -1.26 -4.56 120.64 115.96 2ouu n GLU 471 Ca 0.08 -2.19 0.20 0.00 -0.02 0.00 0.00 57.16 55.24 2ouu n GLU 471 Cb 0.32 -1.97 1.10 0.00 -0.02 0.00 0.00 31.44 30.87 2ouu n GLU 471 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 2ouu h ILE 472 N 2.10 0.14 0.00 -3.67 2.10 -1.71 -0.06 117.51 116.40 2ouu h ILE 472 Ca 0.15 -0.07 0.00 0.00 1.08 0.00 0.00 64.86 66.03 2ouu h ILE 472 Cb 1.82 1.06 0.00 0.00 -1.09 0.00 0.00 36.82 38.60 2ouu h ILE 472 CO 0.50 0.01 -0.04 -0.62 -1.08 0.00 0.00 178.15 176.91 2ouu n GLU 473 N -3.26 0.01 -3.22 2.19 -0.58 -1.26 -4.71 120.64 109.80 2ouu n GLU 473 Ca -0.03 0.01 -0.39 0.00 -0.42 0.00 0.00 57.16 56.34 2ouu n GLU 473 Cb 0.10 -1.52 -0.06 0.00 -0.57 0.00 0.00 31.44 29.39 2ouu n GLU 473 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2ouu s LEU 474 N -3.08 4.53 0.41 -4.62 1.43 -0.04 -4.88 118.68 112.44 2ouu s LEU 474 Ca 0.14 1.32 0.09 0.00 -1.03 0.00 0.00 54.13 54.65 2ouu s LEU 474 Cb 0.19 -2.98 0.87 0.00 0.03 0.00 0.00 46.19 44.29 2ouu s LEU 474 CO 0.55 0.26 2.00 -0.26 0.23 0.00 0.00 176.35 179.13 2ouu h PHE 475 N 4.45 0.34 -0.23 0.29 -1.00 -1.87 -2.31 116.94 116.61 2ouu h PHE 475 Ca -0.49 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.28 2ouu h PHE 475 Cb 1.21 -0.11 0.00 0.00 3.61 0.00 0.00 35.95 40.66 2ouu h PHE 475 CO 0.67 0.31 0.00 -2.39 -1.61 0.00 0.00 178.31 175.29 2ouu n HIS 476 N -4.39 0.31 -1.69 -0.55 1.44 -1.26 -4.88 115.22 104.19 2ouu n HIS 476 Ca 0.01 -0.15 -0.43 0.00 -2.01 0.00 0.00 57.72 55.13 2ouu n HIS 476 Cb 0.16 -0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.26 2ouu n HIS 476 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 2ouu n PHE 477 N 0.17 2.22 -4.02 -1.40 7.35 -0.87 -4.44 117.46 116.46 2ouu n PHE 477 Ca 0.08 0.55 -0.35 0.00 -0.76 0.00 0.00 57.45 56.97 2ouu n PHE 477 Cb 0.20 -2.41 -0.14 0.00 0.35 0.00 0.00 39.48 37.47 2ouu n PHE 477 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2ouu s ASP 478 N -0.26 4.15 0.00 -2.13 3.68 -1.26 -4.99 116.67 115.86 2ouu s ASP 478 Ca 0.57 -0.41 0.10 0.00 2.13 0.00 0.00 52.55 54.94 2ouu s ASP 478 Cb -0.58 -1.70 0.44 0.00 -1.45 0.00 0.00 42.92 39.63 2ouu s ASP 478 CO 0.61 0.00 1.28 2.30 0.13 0.00 0.00 175.17 179.49 2ouu n ILE 479 N 4.63 1.16 0.00 4.11 -5.35 -1.26 -4.97 119.36 117.68 2ouu n ILE 479 Ca -0.18 0.29 0.00 0.00 -0.27 0.00 0.00 62.75 62.59 2ouu n ILE 479 Cb 0.51 -1.12 0.00 0.00 -1.74 0.00 0.00 39.64 37.28 2ouu n ILE 479 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2ouu n GLY 480 N -0.49 -1.10 0.02 3.28 0.00 -1.26 -4.69 105.19 100.95 2ouu n GLY 480 Ca 0.03 -1.62 0.13 0.00 0.00 0.00 0.00 46.02 44.56 2ouu n GLY 480 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ouu n PRO 481 N -1.24 0.11 -2.84 1.61 -0.04 -1.26 -4.78 135.00 126.56 2ouu n PRO 481 Ca 0.00 -0.03 -0.43 0.00 -0.04 0.00 0.00 63.50 63.00 2ouu n PRO 481 Cb 0.00 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 31.92 2ouu n PRO 481 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2ouu s PHE 482 N -2.91 2.68 0.31 0.54 0.40 -1.26 -4.93 117.98 112.81 2ouu s PHE 482 Ca 0.15 -0.40 0.06 0.00 -0.60 0.00 0.00 56.93 56.14 2ouu s PHE 482 Cb 0.19 -4.25 0.71 0.00 0.51 0.00 0.00 43.02 40.17 2ouu s PHE 482 CO 0.58 -1.60 1.82 1.49 0.70 0.00 0.00 175.22 178.20 2ouu h GLU 483 N 9.53 0.79 0.00 0.44 4.81 -1.95 -2.01 114.58 126.19 2ouu h GLU 483 Ca -0.28 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 2ouu h GLU 483 Cb 1.07 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.27 2ouu h GLU 483 CO 1.16 0.52 0.00 0.27 -0.73 0.00 0.00 179.01 180.24 2ouu n ASN 484 N -4.66 0.59 0.04 1.04 2.04 -1.26 -2.45 115.26 110.60 2ouu n ASN 484 Ca 0.21 0.71 -0.05 0.00 -0.44 0.00 0.00 54.58 55.00 2ouu n ASN 484 Cb 0.49 -0.81 -0.10 0.00 -2.53 0.00 0.00 39.78 36.83 2ouu n ASN 484 CO 0.00 0.00 0.00 0.24 -0.44 0.00 0.00 177.26 177.06 2ouu h MET 485 N 0.00 0.00 -0.64 -3.83 2.86 -1.75 -3.40 114.93 108.17 2ouu h MET 485 Ca 0.00 0.00 0.10 0.00 -2.06 0.00 0.00 59.70 57.74 2ouu h MET 485 Cb 0.18 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.77 2ouu h MET 485 CO 0.00 0.63 0.26 -1.49 1.06 0.00 0.00 176.91 177.37 2ouu h TRP 486 N 0.00 0.45 -0.81 -0.22 6.55 -1.59 -1.39 115.95 118.94 2ouu h TRP 486 Ca -0.12 0.03 -0.01 0.00 0.95 0.00 0.00 58.89 59.74 2ouu h TRP 486 Cb 1.76 -0.11 -0.04 0.00 -0.86 0.00 0.00 29.16 29.91 2ouu h TRP 486 CO 0.00 0.13 0.48 -1.35 -1.05 0.00 0.00 178.44 176.65 2ouu h PRO 487 N 0.45 1.10 -0.44 0.49 0.11 -1.78 -1.57 132.00 130.36 2ouu h PRO 487 Ca 0.32 -0.10 -0.04 0.00 0.11 0.00 0.00 66.00 66.29 2ouu h PRO 487 Cb 0.39 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 31.25 2ouu h PRO 487 CO -0.30 0.78 0.09 0.78 -0.21 0.00 0.00 178.00 179.14 2ouu h GLY 488 N 1.11 0.71 1.01 -0.55 0.00 -1.68 -1.38 103.07 102.29 2ouu h GLY 488 Ca 0.29 -0.39 -0.08 0.00 0.00 0.00 0.00 47.33 47.15 2ouu h GLY 488 CO -0.05 0.37 0.01 -2.22 0.00 0.00 0.00 176.54 174.65 2ouu h ILE 489 N 0.64 1.26 -0.63 2.60 2.04 -0.61 -1.03 117.51 121.79 2ouu h ILE 489 Ca 0.14 -1.06 -0.03 0.00 1.00 0.00 0.00 64.86 64.91 2ouu h ILE 489 Cb 0.27 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 2ouu h ILE 489 CO -0.00 0.38 0.27 0.15 0.00 0.00 0.00 178.15 178.94 2ouu h PHE 490 N 0.76 0.93 -0.71 1.37 3.57 -0.77 -0.89 116.94 121.20 2ouu h PHE 490 Ca 0.15 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.59 2ouu h PHE 490 Cb 0.50 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 38.92 2ouu h PHE 490 CO 0.04 0.73 0.45 0.28 -2.23 0.00 0.00 178.31 177.58 2ouu h VAL 491 N 0.87 1.20 -0.88 1.41 2.07 -1.03 -1.43 116.25 118.46 2ouu h VAL 491 Ca 0.21 -0.40 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 2ouu h VAL 491 Cb 0.18 0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.08 2ouu h VAL 491 CO -0.02 0.20 0.45 0.22 0.02 0.00 0.00 177.57 178.44 2ouu h TYR 492 N 0.97 1.24 -0.41 1.57 3.20 -0.78 -0.85 116.97 121.91 2ouu h TYR 492 Ca 0.26 -0.04 -0.09 0.00 3.14 0.00 0.00 58.73 62.00 2ouu h TYR 492 Cb -0.07 -0.39 -0.02 0.00 1.54 0.00 0.00 36.73 37.79 2ouu h TYR 492 CO -0.02 0.87 -0.11 0.52 -1.64 0.00 0.00 178.16 177.79 2ouu h MET 493 N 1.24 0.73 -0.45 1.82 2.86 -0.65 0.86 114.93 121.34 2ouu h MET 493 Ca 0.31 -0.23 -0.10 0.00 -2.06 0.00 0.00 59.70 57.61 2ouu h MET 493 Cb 0.07 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 2ouu h MET 493 CO -0.04 0.81 -0.11 0.28 1.06 0.00 0.00 176.91 178.91 2ouu h VAL 494 N 0.66 1.27 -0.29 -2.22 2.07 -0.79 -1.23 116.25 115.73 2ouu h VAL 494 Ca 0.11 -1.22 -0.12 0.00 0.82 0.00 0.00 66.70 66.29 2ouu h VAL 494 Cb 0.56 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 2ouu h VAL 494 CO 0.04 0.42 -0.34 0.45 0.02 0.00 0.00 177.57 178.16 2ouu h HIS 495 N 0.70 0.72 -0.12 1.57 -0.00 -0.81 0.13 115.15 117.34 2ouu h HIS 495 Ca 0.11 -0.19 -0.18 0.00 -0.00 0.00 0.00 60.37 60.11 2ouu h HIS 495 Cb 0.65 -0.16 -0.00 0.00 -0.00 0.00 0.00 27.41 27.89 2ouu h HIS 495 CO 0.05 0.88 -0.68 0.00 -0.00 0.00 0.00 177.93 178.18 2ouu h ARG 496 N 0.53 0.48 0.13 2.45 2.47 -0.76 -0.36 114.38 119.32 2ouu h ARG 496 Ca 0.06 -0.37 -0.32 0.00 -1.26 0.00 0.00 59.98 58.10 2ouu h ARG 496 Cb 0.83 0.07 -0.00 0.00 -1.65 0.00 0.00 29.97 29.22 2ouu h ARG 496 CO 0.07 0.99 -1.63 0.66 0.56 0.00 0.00 179.97 180.62 2ouu h SER 497 N 0.34 0.44 0.00 7.04 4.64 -1.17 -3.41 113.55 121.44 2ouu h SER 497 Ca -0.02 -0.89 -0.10 0.00 -0.47 0.00 0.00 61.79 60.32 2ouu h SER 497 Cb 1.25 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 63.18 2ouu h SER 497 CO 0.12 1.72 -1.88 0.00 -0.87 0.00 0.00 176.83 175.92 2ouu n GLY 499 N 1.71 2.70 0.00 0.00 0.00 -0.14 -4.52 105.19 104.94 2ouu n GLY 499 Ca -0.11 -1.93 0.13 0.00 0.00 0.00 0.00 46.02 44.11 2ouu n GLY 499 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ouu n THR 500 N 0.62 0.18 0.63 2.61 -2.24 -1.26 -3.33 114.28 111.49 2ouu n THR 500 Ca 0.00 0.04 0.08 0.00 -2.27 0.00 0.00 64.05 61.90 2ouu n THR 500 Cb 0.00 -0.59 0.08 0.00 -2.10 0.00 0.00 70.33 67.72 2ouu n THR 500 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2ouu n SER 501 N -1.51 2.40 -0.11 3.42 3.41 -1.26 -4.57 113.62 115.40 2ouu n SER 501 Ca 0.06 -1.69 -0.10 0.00 -0.26 0.00 0.00 58.87 56.88 2ouu n SER 501 Cb 0.31 -0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.22 2ouu n SER 501 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ouu s PHE 503 N -5.26 2.09 -0.09 0.00 0.08 -1.26 -5.05 117.98 108.49 2ouu s PHE 503 Ca -0.13 -0.40 -0.30 0.00 0.12 0.00 0.00 56.93 56.22 2ouu s PHE 503 Cb 0.09 -1.14 -0.04 0.00 -0.57 0.00 0.00 43.02 41.36 2ouu s PHE 503 CO 0.75 0.28 1.39 -1.21 -0.10 0.00 0.00 175.22 176.33 2ouu s GLU 504 N -1.97 4.24 0.27 0.44 2.02 -1.26 -4.89 118.70 117.55 2ouu s GLU 504 Ca 0.11 1.87 0.01 0.00 0.02 0.00 0.00 54.97 56.98 2ouu s GLU 504 Cb -0.10 -3.75 0.61 0.00 0.10 0.00 0.00 34.13 30.98 2ouu s GLU 504 CO 0.05 -0.69 1.75 1.25 0.02 0.00 0.00 175.26 177.64 2ouu h LEU 505 N 9.37 0.50 -0.44 1.80 5.85 -1.98 -0.94 115.31 129.47 2ouu h LEU 505 Ca -0.33 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.49 2ouu h LEU 505 Cb 1.15 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.19 2ouu h LEU 505 CO 0.94 0.17 0.24 -0.08 -0.34 0.00 0.00 178.44 179.36 2ouu h GLU 506 N 0.58 0.62 -0.39 1.25 4.81 -1.97 -0.81 114.58 118.66 2ouu h GLU 506 Ca 0.50 -0.07 -0.12 0.00 -0.13 0.00 0.00 59.36 59.54 2ouu h GLU 506 Cb 0.79 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.04 2ouu h GLU 506 CO -0.41 0.50 -0.22 0.87 -0.73 0.00 0.00 179.01 179.01 2ouu h LYS 507 N 0.58 0.85 -0.54 1.92 1.57 -1.66 -1.72 116.57 117.56 2ouu h LYS 507 Ca 0.15 -0.38 0.01 0.00 -1.87 0.00 0.00 60.65 58.56 2ouu h LYS 507 Cb 0.06 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.33 2ouu h LYS 507 CO -0.02 1.02 0.36 1.25 -0.57 0.00 0.00 179.45 181.49 2ouu h LEU 508 N 0.65 0.61 -0.63 2.94 5.85 -0.98 0.13 115.31 123.89 2ouu h LEU 508 Ca 0.08 -0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.66 2ouu h LEU 508 Cb 0.79 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 2ouu h LEU 508 CO 0.06 0.44 -0.27 0.00 -0.34 0.00 0.00 178.44 178.34 2ouu h ARG 510 N 0.68 0.62 0.01 0.00 2.43 -0.94 -1.71 114.38 115.47 2ouu h ARG 510 Ca 0.08 -0.17 0.01 0.00 -0.81 0.00 0.00 59.98 59.10 2ouu h ARG 510 Cb 0.80 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.26 2ouu h ARG 510 CO 0.07 0.68 -0.07 0.35 -1.51 0.00 0.00 179.97 179.49 2ouu h PHE 511 N 0.47 -0.18 -0.34 2.20 3.57 -0.55 -1.30 116.94 120.81 2ouu h PHE 511 Ca 0.12 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.63 2ouu h PHE 511 Cb 0.36 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.16 2ouu h PHE 511 CO 0.02 -0.11 0.21 0.82 -2.23 0.00 0.00 178.31 177.02 2ouu h ILE 512 N -0.13 1.06 0.00 1.41 2.04 -1.06 -0.85 117.51 119.97 2ouu h ILE 512 Ca 0.03 -0.15 -0.08 0.00 1.00 0.00 0.00 64.86 65.66 2ouu h ILE 512 Cb 0.16 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 2ouu h ILE 512 CO -0.07 0.08 -0.39 0.24 0.00 0.00 0.00 178.15 178.01 2ouu h MET 513 N 0.44 0.00 0.04 2.37 2.86 -1.23 -1.94 114.93 117.47 2ouu h MET 513 Ca 0.13 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.52 2ouu h MET 513 Cb -0.03 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.64 2ouu h MET 513 CO -0.04 0.39 -1.05 0.77 1.06 0.00 0.00 176.91 178.04 2ouu h SER 514 N 0.00 0.62 -0.41 1.22 0.02 -0.97 -2.86 113.55 111.18 2ouu h SER 514 Ca -0.00 -0.53 0.00 0.00 -0.84 0.00 0.00 61.79 60.41 2ouu h SER 514 Cb 0.87 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.19 2ouu h SER 514 CO 0.05 1.35 0.26 0.58 -1.14 0.00 0.00 176.83 177.93 2ouu h VAL 515 N 0.24 1.12 -0.80 2.27 2.07 -0.95 -2.11 116.25 118.10 2ouu h VAL 515 Ca -0.11 -0.24 0.13 0.00 0.82 0.00 0.00 66.70 67.30 2ouu h VAL 515 Cb 1.70 0.55 -0.09 0.00 -1.52 0.00 0.00 31.29 31.93 2ouu h VAL 515 CO 0.19 0.12 0.39 0.50 0.02 0.00 0.00 177.57 178.78 2ouu h LYS 516 N 0.54 0.56 0.00 1.57 3.64 -1.33 0.11 116.57 121.66 2ouu h LYS 516 Ca 0.15 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 2ouu h LYS 516 Cb -0.03 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.66 2ouu h LYS 516 CO -0.03 0.37 0.00 1.17 -2.27 0.00 0.00 179.45 178.69 2ouu n LYS 517 N -4.90 0.07 -0.49 1.90 4.81 -0.81 -2.27 118.16 116.47 2ouu n LYS 517 Ca 0.15 0.35 0.08 0.00 -0.87 0.00 0.00 58.31 58.02 2ouu n LYS 517 Cb 0.39 -1.64 0.29 0.00 0.02 0.00 0.00 35.03 34.09 2ouu n LYS 517 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2ouu n ASN 518 N -1.78 4.22 -4.77 3.14 3.02 0.02 -4.79 115.26 114.31 2ouu n ASN 518 Ca 0.02 -2.50 -0.36 0.00 -0.03 0.00 0.00 54.58 51.72 2ouu n ASN 518 Cb 0.17 -0.50 -0.08 0.00 -0.61 0.00 0.00 39.78 38.76 2ouu n ASN 518 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2ouu s TYR 519 N -1.92 3.35 0.47 3.10 1.51 -0.96 -1.21 117.35 121.69 2ouu s TYR 519 Ca 0.43 0.34 -0.00 0.00 -1.01 0.00 0.00 57.07 56.83 2ouu s TYR 519 Cb 0.29 -1.85 -0.00 0.00 -0.11 0.00 0.00 41.96 40.28 2ouu s TYR 519 CO 0.19 0.59 0.70 1.03 -1.11 0.00 0.00 175.55 176.95 2ouu s ARG 520 N -0.95 3.05 -1.36 -0.62 0.52 -1.26 -4.89 118.95 113.44 2ouu s ARG 520 Ca 0.14 -0.43 -0.13 0.00 -0.52 0.00 0.00 55.73 54.78 2ouu s ARG 520 Cb -0.12 -2.53 0.09 0.00 0.52 0.00 0.00 34.95 32.92 2ouu s ARG 520 CO 0.03 -0.32 1.98 0.54 0.02 0.00 0.00 175.30 177.55 2ouu n ARG 521 N -2.14 3.18 -4.44 3.54 1.74 -1.26 -4.58 116.66 112.69 2ouu n ARG 521 Ca 0.02 -3.08 -0.23 0.00 -0.77 0.00 0.00 57.85 53.79 2ouu n ARG 521 Cb 0.58 -3.19 -0.10 0.00 -1.02 0.00 0.00 32.46 28.72 2ouu n ARG 521 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2ouu s VAL 522 N 2.39 2.28 0.25 1.55 -7.23 -1.26 -5.11 120.40 113.28 2ouu s VAL 522 Ca 0.46 -2.35 -0.30 0.00 -1.81 0.00 0.00 61.98 57.98 2ouu s VAL 522 Cb 0.10 -2.26 -0.09 0.00 0.56 0.00 0.00 36.38 34.69 2ouu s VAL 522 CO -0.03 -0.43 1.01 -2.16 -0.31 0.00 0.00 175.10 173.17 2ouu s PRO 523 N -3.55 4.77 0.00 4.82 0.04 -1.26 -4.33 135.00 135.49 2ouu s PRO 523 Ca 0.28 1.62 0.00 0.00 0.04 0.00 0.00 61.00 62.95 2ouu s PRO 523 Cb -0.04 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.26 2ouu s PRO 523 CO 0.13 0.39 0.00 0.98 0.04 0.00 0.00 177.00 178.54 2ouu n TYR 524 N 1.39 0.00 -0.67 0.56 9.36 -1.26 -4.67 117.16 121.87 2ouu n TYR 524 Ca -0.02 0.00 -0.08 0.00 3.32 0.00 0.00 57.90 61.12 2ouu n TYR 524 Cb 0.46 0.00 -0.11 0.00 -0.63 0.00 0.00 39.34 39.06 2ouu n TYR 524 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 2ouu n HIS 525 N 0.00 0.00 -4.11 2.98 8.25 -1.26 -4.42 115.22 116.66 2ouu n HIS 525 Ca 0.00 -1.01 -0.14 0.00 -0.26 0.00 0.00 57.72 56.31 2ouu n HIS 525 Cb 0.00 -1.20 -0.02 0.00 1.12 0.00 0.00 29.99 29.89 2ouu n HIS 525 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 2ouu n ASN 526 N 2.65 2.36 -0.23 0.41 0.23 -1.26 -4.63 115.26 114.79 2ouu n ASN 526 Ca 0.29 -2.01 -0.06 0.00 -0.53 0.00 0.00 54.58 52.27 2ouu n ASN 526 Cb 0.62 0.10 0.04 0.00 -2.08 0.00 0.00 39.78 38.46 2ouu n ASN 526 CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 2ouu h TRP 527 N 0.92 0.90 -0.66 -2.53 2.91 -1.88 -1.60 115.95 114.01 2ouu h TRP 527 Ca -0.19 -0.03 0.04 0.00 1.13 0.00 0.00 58.89 59.84 2ouu h TRP 527 Cb 0.61 -0.28 -0.05 0.00 -0.51 0.00 0.00 29.16 28.93 2ouu h TRP 527 CO 0.00 0.66 0.40 -0.22 -1.03 0.00 0.00 178.44 178.24 2ouu h LYS 528 N 0.88 0.74 -0.42 2.65 3.64 -1.96 -1.63 116.57 120.47 2ouu h LYS 528 Ca 0.22 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.48 2ouu h LYS 528 Cb 0.07 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 2ouu h LYS 528 CO -0.03 0.49 -0.08 1.25 -2.27 0.00 0.00 179.45 178.80 2ouu h HIS 529 N 0.76 0.80 -0.56 1.91 2.76 -1.68 -1.52 115.15 117.62 2ouu h HIS 529 Ca 0.27 -0.13 0.03 0.00 -2.20 0.00 0.00 60.37 58.34 2ouu h HIS 529 Cb 0.07 -0.21 -0.04 0.00 1.55 0.00 0.00 27.41 28.79 2ouu h HIS 529 CO -0.06 0.79 0.34 0.00 -1.30 0.00 0.00 177.93 177.70 2ouu h ALA 530 N 1.23 0.72 -0.28 5.26 0.00 -0.38 0.23 119.26 126.04 2ouu h ALA 530 Ca 0.12 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 2ouu h ALA 530 Cb 0.54 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2ouu h ALA 530 CO 0.03 0.06 -0.37 0.28 0.00 0.00 0.00 179.25 179.25 2ouu h VAL 531 N 0.66 1.29 -0.49 0.00 2.07 -1.13 -1.68 116.25 116.98 2ouu h VAL 531 Ca 0.22 -1.53 0.00 0.00 0.82 0.00 0.00 66.70 66.22 2ouu h VAL 531 Cb 0.02 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 2ouu h VAL 531 CO -0.10 0.49 0.31 0.74 0.02 0.00 0.00 177.57 179.03 2ouu h THR 532 N 0.53 1.14 -0.45 2.57 2.02 -0.75 -0.13 112.91 117.83 2ouu h THR 532 Ca 0.05 -0.28 -0.04 0.00 0.77 0.00 0.00 66.41 66.91 2ouu h THR 532 Cb 0.88 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.73 2ouu h THR 532 CO 0.08 0.14 0.13 0.58 0.37 0.00 0.00 175.52 176.81 2ouu h VAL 533 N 0.65 1.23 -0.76 3.16 2.07 -0.83 -2.08 116.25 119.69 2ouu h VAL 533 Ca 0.18 -0.78 -0.03 0.00 0.82 0.00 0.00 66.70 66.89 2ouu h VAL 533 Cb -0.04 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 2ouu h VAL 533 CO -0.04 0.28 0.36 0.00 0.02 0.00 0.00 177.57 178.20 2ouu h ALA 534 N 0.98 1.21 -0.66 1.67 0.00 -1.02 -2.00 119.26 119.45 2ouu h ALA 534 Ca 0.14 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 2ouu h ALA 534 Cb 0.30 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 2ouu h ALA 534 CO -0.00 0.60 0.13 1.25 0.00 0.00 0.00 179.25 181.23 2ouu h HIS 535 N 1.08 1.12 -0.93 0.00 6.17 -0.70 -0.04 115.15 121.85 2ouu h HIS 535 Ca 0.26 -0.14 -0.01 0.00 0.71 0.00 0.00 60.37 61.20 2ouu h HIS 535 Cb 0.11 -0.31 -0.04 0.00 2.52 0.00 0.00 27.41 29.68 2ouu h HIS 535 CO 0.01 0.93 0.55 0.00 0.71 0.00 0.00 177.93 180.13 2ouu h MET 537 N 1.28 1.02 -0.51 0.00 -1.53 -0.81 -0.38 114.93 114.00 2ouu h MET 537 Ca 0.33 -0.20 0.07 0.00 -3.44 0.00 0.00 59.70 56.46 2ouu h MET 537 Cb -0.04 -0.16 -0.06 0.00 -0.55 0.00 0.00 31.60 30.79 2ouu h MET 537 CO -0.06 0.87 0.18 -0.92 0.14 0.00 0.00 176.91 177.12 2ouu h TYR 538 N 0.96 0.32 -0.62 1.39 3.20 -0.03 0.80 116.97 123.00 2ouu h TYR 538 Ca 0.22 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 62.06 2ouu h TYR 538 Cb 0.25 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.43 2ouu h TYR 538 CO 0.02 0.10 0.15 0.00 -1.64 0.00 0.00 178.16 176.79 2ouu h ALA 539 N 1.34 0.81 -0.19 1.82 0.00 -0.47 -0.07 119.26 122.50 2ouu h ALA 539 Ca 0.25 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2ouu h ALA 539 Cb 0.26 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2ouu h ALA 539 CO -0.25 0.52 0.10 0.82 0.00 0.00 0.00 179.25 180.44 2ouu h ILE 540 N 0.90 1.12 -0.40 0.00 2.04 -0.50 -1.96 117.51 118.70 2ouu h ILE 540 Ca 0.19 -0.34 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 2ouu h ILE 540 Cb 0.36 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 2ouu h ILE 540 CO 0.00 0.12 0.21 -0.07 0.00 0.00 0.00 178.15 178.41 2ouu h LEU 541 N 0.19 0.51 -0.83 1.44 3.38 -0.64 -2.24 115.31 117.12 2ouu h LEU 541 Ca 0.07 -0.10 -0.12 0.00 0.09 0.00 0.00 57.88 57.81 2ouu h LEU 541 Cb 0.10 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2ouu h LEU 541 CO -0.01 0.47 -0.54 1.56 0.09 0.00 0.00 178.44 180.01 2ouu h GLN 542 N 0.52 0.12 -0.01 1.13 1.08 -0.98 -2.23 115.11 114.74 2ouu h GLN 542 Ca 0.14 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 2ouu h GLN 542 Cb 0.07 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.51 2ouu h GLN 542 CO -0.02 0.63 -0.05 0.09 -0.95 0.00 0.00 178.83 178.53 2ouu n ASN 543 N -3.91 0.87 -2.63 1.46 3.02 -0.74 -3.29 115.26 110.03 2ouu n ASN 543 Ca -0.02 -1.12 -0.09 0.00 -0.03 0.00 0.00 54.58 53.32 2ouu n ASN 543 Cb 0.56 -0.00 0.04 0.00 -0.61 0.00 0.00 39.78 39.76 2ouu n ASN 543 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2ouu n ASN 544 N -0.43 2.34 -0.32 6.41 3.02 -0.85 -4.75 115.26 120.68 2ouu n ASN 544 Ca 0.19 -2.64 0.14 0.00 -0.03 0.00 0.00 54.58 52.24 2ouu n ASN 544 Cb 0.28 -0.47 0.33 0.00 -0.61 0.00 0.00 39.78 39.31 2ouu n ASN 544 CO 0.00 0.00 0.00 -0.74 -2.62 0.00 0.00 177.26 173.90 2ouu h HIS 545 N 2.65 0.81 0.00 3.10 2.76 -1.40 -2.01 115.15 121.06 2ouu h HIS 545 Ca -0.01 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 2ouu h HIS 545 Cb 1.25 -0.21 0.00 0.00 1.55 0.00 0.00 27.41 30.00 2ouu h HIS 545 CO 0.58 0.02 0.00 0.25 -1.30 0.00 0.00 177.93 177.49 2ouu n THR 546 N -4.96 0.70 0.00 6.26 -2.24 -1.26 -4.17 114.28 108.61 2ouu n THR 546 Ca 0.23 0.14 -0.18 0.00 -2.27 0.00 0.00 64.05 61.98 2ouu n THR 546 Cb 0.67 -0.88 -0.14 0.00 -2.10 0.00 0.00 70.33 67.88 2ouu n THR 546 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2ouu h LEU 547 N 0.00 0.32 -9.80 3.22 3.38 -1.72 -3.48 115.31 107.23 2ouu h LEU 547 Ca 0.00 -0.71 -0.63 0.00 0.09 0.00 0.00 57.88 56.62 2ouu h LEU 547 Cb 0.37 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 40.96 2ouu h LEU 547 CO 0.00 1.64 -0.52 -0.36 0.09 0.00 0.00 178.44 179.29 2ouu s PHE 548 N -2.57 3.45 0.76 1.13 0.40 -1.26 -5.10 117.98 114.80 2ouu s PHE 548 Ca -0.17 0.25 -0.11 0.00 -0.60 0.00 0.00 56.93 56.29 2ouu s PHE 548 Cb 0.07 -1.76 0.05 0.00 0.51 0.00 0.00 43.02 41.89 2ouu s PHE 548 CO 0.79 0.59 1.08 0.95 0.70 0.00 0.00 175.22 179.33 2ouu s THR 549 N -1.40 3.46 0.30 0.64 -4.23 -1.26 -4.83 115.64 108.32 2ouu s THR 549 Ca 0.31 0.47 -0.02 0.00 -1.18 0.00 0.00 61.69 61.27 2ouu s THR 549 Cb -0.13 -3.18 0.24 0.00 1.34 0.00 0.00 72.50 70.78 2ouu s THR 549 CO 0.23 -0.62 1.94 -0.78 -0.54 0.00 0.00 174.62 174.85 2ouu h ASP 550 N -0.97 0.92 -0.57 3.99 1.82 -1.99 -0.23 116.42 119.38 2ouu h ASP 550 Ca -0.46 -0.05 -0.11 0.00 -0.39 0.00 0.00 57.03 56.03 2ouu h ASP 550 Cb 1.24 -0.23 -0.02 0.00 0.68 0.00 0.00 39.33 41.00 2ouu h ASP 550 CO 0.57 0.70 -0.06 -0.07 -1.61 0.00 0.00 179.24 178.77 2ouu h LEU 551 N 1.06 1.04 -0.58 2.28 4.07 -1.99 -1.54 115.31 119.64 2ouu h LEU 551 Ca 0.28 -0.33 -0.11 0.00 0.08 0.00 0.00 57.88 57.80 2ouu h LEU 551 Cb -0.05 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 41.39 2ouu h LEU 551 CO -0.05 1.12 -0.07 -0.33 -1.08 0.00 0.00 178.44 178.03 2ouu h GLU 552 N 0.93 1.05 -0.01 1.13 5.08 -1.77 0.19 114.58 121.19 2ouu h GLU 552 Ca 0.15 -0.37 -0.00 0.00 -1.00 0.00 0.00 59.36 58.14 2ouu h GLU 552 Cb 0.63 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 2ouu h GLU 552 CO 0.04 1.07 0.00 0.00 -1.00 0.00 0.00 179.01 179.12 2ouu h ARG 553 N 0.94 0.01 -0.23 2.33 3.08 -0.89 0.24 114.38 119.87 2ouu h ARG 553 Ca 0.15 -0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.17 2ouu h ARG 553 Cb 0.64 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.68 2ouu h ARG 553 CO 0.04 0.14 0.01 0.87 -1.07 0.00 0.00 179.97 179.96 2ouu h LYS 554 N -0.12 0.40 -0.81 0.04 1.57 -1.24 -2.74 116.57 113.66 2ouu h LYS 554 Ca 0.00 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 2ouu h LYS 554 Cb 0.13 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.36 2ouu h LYS 554 CO -0.00 0.57 0.45 0.78 -0.57 0.00 0.00 179.45 180.69 2ouu h GLY 555 N 0.17 1.21 1.72 3.86 0.00 -0.51 -2.66 103.07 106.86 2ouu h GLY 555 Ca 0.06 -0.54 -0.14 0.00 0.00 0.00 0.00 47.33 46.71 2ouu h GLY 555 CO 0.01 0.52 -0.57 1.41 0.00 0.00 0.00 176.54 177.91 2ouu h LEU 556 N 1.12 0.33 -0.53 3.11 3.38 -0.52 0.04 115.31 122.24 2ouu h LEU 556 Ca 0.29 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 2ouu h LEU 556 Cb 0.02 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2ouu h LEU 556 CO -0.05 0.82 0.07 -0.07 0.09 0.00 0.00 178.44 179.30 2ouu h LEU 557 N 0.22 0.86 -0.39 1.67 3.38 -1.33 -1.56 115.31 118.16 2ouu h LEU 557 Ca -0.00 -0.27 -0.10 0.00 0.09 0.00 0.00 57.88 57.60 2ouu h LEU 557 Cb 1.06 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 2ouu h LEU 557 CO 0.09 0.91 -0.14 0.40 0.09 0.00 0.00 178.44 179.80 2ouu h ILE 558 N 0.77 1.28 -0.82 1.22 1.08 -1.36 -2.16 117.51 117.52 2ouu h ILE 558 Ca 0.16 -1.25 0.04 0.00 -0.39 0.00 0.00 64.86 63.42 2ouu h ILE 558 Cb 0.43 1.28 -0.05 0.00 -3.07 0.00 0.00 36.82 35.41 2ouu h ILE 558 CO 0.01 0.42 0.52 0.00 -0.69 0.00 0.00 178.15 178.41 2ouu h ALA 559 N 0.82 1.09 -0.56 1.87 0.00 -0.85 -1.17 119.26 120.46 2ouu h ALA 559 Ca 0.09 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 2ouu h ALA 559 Cb 0.67 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2ouu h ALA 559 CO 0.05 0.32 0.06 0.00 0.00 0.00 0.00 179.25 179.67 2ouu h LEU 561 N 0.84 0.33 -1.72 0.00 5.85 -0.79 -3.01 115.31 116.80 2ouu h LEU 561 Ca 0.17 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.83 2ouu h LEU 561 Cb 0.46 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.40 2ouu h LEU 561 CO 0.02 0.42 -0.07 0.00 -0.34 0.00 0.00 178.44 178.47 2ouu h HIS 563 N 4.20 0.00 0.00 0.00 2.07 -0.32 -2.36 115.15 118.74 2ouu h HIS 563 Ca 0.00 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2ouu h HIS 563 Cb 0.93 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.90 2ouu h HIS 563 CO 0.00 0.00 -0.14 -0.25 -3.07 0.00 0.00 177.93 174.47 2ouu n ASP 564 N -3.71 2.12 -4.60 3.10 8.00 -1.26 -4.86 116.55 115.35 2ouu n ASP 564 Ca 0.03 -3.24 -0.53 0.00 0.71 0.00 0.00 54.79 51.76 2ouu n ASP 564 Cb 0.42 -0.45 -0.06 0.00 -0.02 0.00 0.00 41.12 41.01 2ouu n ASP 564 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2ouu n LEU 565 N -1.31 1.62 -2.71 0.64 4.77 -0.89 -2.11 117.00 117.01 2ouu n LEU 565 Ca 0.16 1.12 -0.21 0.00 -0.03 0.00 0.00 56.01 57.05 2ouu n LEU 565 Cb 0.66 -1.17 0.02 0.00 -2.33 0.00 0.00 43.42 40.60 2ouu n LEU 565 CO -0.00 -1.04 -0.08 -0.67 -1.33 0.00 0.00 177.39 174.27 2ouu n ASP 566 N 2.74 -5.91 -4.73 -1.43 2.03 -0.35 -4.42 116.55 104.48 2ouu n ASP 566 Ca 0.19 -0.19 -0.41 0.00 0.52 0.00 0.00 54.79 54.90 2ouu n ASP 566 Cb 0.18 -4.79 -0.04 0.00 -0.72 0.00 0.00 41.12 35.74 2ouu n ASP 566 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 2ouu s HIS 567 N -3.11 3.67 -2.47 -0.67 2.46 -0.90 -4.93 115.29 109.34 2ouu s HIS 567 Ca 0.20 1.66 0.22 0.00 0.47 0.00 0.00 55.06 57.61 2ouu s HIS 567 Cb -0.09 -3.20 0.10 0.00 -0.13 0.00 0.00 32.58 29.27 2ouu s HIS 567 CO 0.25 -0.34 1.15 0.54 -2.47 0.00 0.00 174.74 173.86 2ouu n ARG 568 N 2.62 1.81 -0.01 2.88 1.74 -1.26 -4.45 116.66 120.00 2ouu n ARG 568 Ca 0.03 -1.50 0.00 0.00 -0.77 0.00 0.00 57.85 55.61 2ouu n ARG 568 Cb 0.47 -1.44 0.00 0.00 -1.02 0.00 0.00 32.46 30.48 2ouu n ARG 568 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2ouu n GLY 569 N 1.31 0.83 3.79 -0.13 0.00 -1.26 -5.02 105.19 104.71 2ouu n GLY 569 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 2ouu n GLY 569 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2ouu s PHE 570 N -2.01 3.28 0.73 1.61 2.99 -1.26 -4.44 117.98 118.88 2ouu s PHE 570 Ca 0.00 0.17 -0.11 0.00 0.00 0.00 0.00 56.93 56.99 2ouu s PHE 570 Cb 0.00 -1.70 0.04 0.00 0.00 0.00 0.00 43.02 41.35 2ouu s PHE 570 CO 0.00 0.55 1.11 -1.54 -0.00 0.00 0.00 175.22 175.34 2ouu s SER 571 N -2.00 5.12 0.39 1.36 1.04 -1.26 -4.95 113.70 113.39 2ouu s SER 571 Ca 0.26 0.96 0.18 0.00 0.48 0.00 0.00 55.95 57.83 2ouu s SER 571 Cb -0.12 -1.67 0.80 0.00 0.10 0.00 0.00 66.02 65.13 2ouu s SER 571 CO 0.18 -1.52 1.81 0.78 0.98 0.00 0.00 173.24 175.46 2ouu h ASN 572 N -0.76 0.00 0.02 7.02 2.35 -1.99 -2.56 115.58 119.66 2ouu h ASN 572 Ca -0.45 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.30 2ouu h ASN 572 Cb 1.28 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.65 2ouu h ASN 572 CO 0.64 0.35 -0.01 0.28 -1.65 0.00 0.00 177.43 177.04 2ouu h SER 573 N 0.00 -0.03 -1.00 5.81 0.02 -2.05 -2.88 113.55 113.43 2ouu h SER 573 Ca -0.00 -0.16 0.05 0.00 -0.84 0.00 0.00 61.79 60.84 2ouu h SER 573 Cb 0.75 0.01 -0.06 0.00 0.14 0.00 0.00 62.40 63.23 2ouu h SER 573 CO 0.05 0.14 0.65 0.22 -1.14 0.00 0.00 176.83 176.75 2ouu h TYR 574 N -0.20 1.21 0.00 3.45 3.20 -1.89 -3.55 116.97 119.20 2ouu h TYR 574 Ca -0.00 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 2ouu h TYR 574 Cb 0.18 -0.40 -0.00 0.00 1.54 0.00 0.00 36.73 38.05 2ouu h TYR 574 CO -0.02 0.66 -0.02 -0.07 -1.64 0.00 0.00 178.16 177.07 2ouu h LEU 575 N 1.21 0.00 -8.57 2.82 3.38 -1.24 -3.49 115.31 109.42 2ouu h LEU 575 Ca 0.42 -0.35 -0.68 0.00 0.09 0.00 0.00 57.88 57.36 2ouu h LEU 575 Cb 0.09 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 40.55 2ouu h LEU 575 CO -0.15 0.68 -0.83 -0.55 0.09 0.00 0.00 178.44 177.68 2ouu s SER 587 N -5.79 3.51 0.00 -0.43 0.15 -1.26 -5.09 113.70 104.78 2ouu s SER 587 Ca -0.07 -0.41 0.23 0.00 0.70 0.00 0.00 55.95 56.40 2ouu s SER 587 Cb -0.01 -1.15 0.35 0.00 -1.71 0.00 0.00 66.02 63.50 2ouu s SER 587 CO 0.24 0.23 1.35 0.35 1.20 0.00 0.00 173.24 176.61 2ouu n THR 588 N 3.09 0.37 -3.67 6.45 -2.24 -1.26 -4.97 114.28 112.04 2ouu n THR 588 Ca -0.18 -0.68 -0.22 0.00 -2.27 0.00 0.00 64.05 60.70 2ouu n THR 588 Cb 0.52 1.13 0.05 0.00 -2.10 0.00 0.00 70.33 69.93 2ouu n THR 588 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2ouu n SER 589 N 1.43 -2.48 0.06 3.42 7.64 -1.26 -4.89 113.62 117.54 2ouu n SER 589 Ca 0.18 -0.74 -0.11 0.00 1.01 0.00 0.00 58.87 59.20 2ouu n SER 589 Cb 0.60 -4.34 -0.05 0.00 -1.01 0.00 0.00 64.21 59.41 2ouu n SER 589 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2ouu h THR 590 N -2.00 0.41 -0.57 0.44 2.02 -1.93 -1.19 112.91 110.09 2ouu h THR 590 Ca -0.60 0.00 0.02 0.00 0.77 0.00 0.00 66.41 66.60 2ouu h THR 590 Cb 1.36 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 68.15 2ouu h THR 590 CO 0.57 0.00 0.36 0.24 0.37 0.00 0.00 175.52 177.06 2ouu h MET 591 N -0.40 0.71 -0.60 6.66 2.86 -1.94 -2.02 114.93 120.21 2ouu h MET 591 Ca 0.06 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.59 2ouu h MET 591 Cb 0.49 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.96 2ouu h MET 591 CO -0.23 0.47 0.08 0.93 1.06 0.00 0.00 176.91 179.22 2ouu h GLU 592 N 0.73 0.98 -0.32 1.72 3.07 -1.84 0.56 114.58 119.48 2ouu h GLU 592 Ca 0.22 -0.25 -0.04 0.00 -0.50 0.00 0.00 59.36 58.78 2ouu h GLU 592 Cb -0.04 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 27.74 2ouu h GLU 592 CO -0.07 0.92 0.02 1.96 -1.40 0.00 0.00 179.01 180.43 2ouu h GLN 593 N 0.92 0.48 -0.32 2.33 4.20 -0.97 -1.19 115.11 120.55 2ouu h GLN 593 Ca 0.18 -0.09 -0.09 0.00 0.06 0.00 0.00 58.65 58.71 2ouu h GLN 593 Cb 0.42 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 2ouu h GLN 593 CO 0.01 0.49 -0.17 1.25 -0.67 0.00 0.00 178.83 179.75 2ouu h HIS 594 N 0.46 0.79 -0.93 2.96 2.76 -0.55 -1.17 115.15 119.47 2ouu h HIS 594 Ca 0.10 -0.20 -0.01 0.00 -2.20 0.00 0.00 60.37 58.06 2ouu h HIS 594 Cb 0.28 -0.18 -0.04 0.00 1.55 0.00 0.00 27.41 29.01 2ouu h HIS 594 CO 0.01 0.90 0.54 0.45 -1.30 0.00 0.00 177.93 178.54 2ouu h HIS 595 N 0.45 1.24 -0.48 5.26 3.86 -0.32 -0.63 115.15 124.54 2ouu h HIS 595 Ca 0.07 -0.01 -0.10 0.00 -1.16 0.00 0.00 60.37 59.17 2ouu h HIS 595 Cb 0.70 -0.40 -0.02 0.00 1.06 0.00 0.00 27.41 28.75 2ouu h HIS 595 CO 0.06 0.84 -0.08 0.35 0.86 0.00 0.00 177.93 179.96 2ouu h PHE 596 N 1.29 1.00 -0.90 2.45 3.57 -1.13 -1.80 116.94 121.42 2ouu h PHE 596 Ca 0.33 -0.20 0.01 0.00 3.53 0.00 0.00 57.97 61.64 2ouu h PHE 596 Cb -0.03 -0.25 -0.05 0.00 2.79 0.00 0.00 35.95 38.42 2ouu h PHE 596 CO 0.01 0.96 0.60 1.03 -2.23 0.00 0.00 178.31 178.68 2ouu h SER 597 N 0.74 1.02 -0.44 0.41 0.87 -0.58 -1.11 113.55 114.47 2ouu h SER 597 Ca 0.12 -0.02 -0.09 0.00 -1.23 0.00 0.00 61.79 60.57 2ouu h SER 597 Cb 0.62 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.31 2ouu h SER 597 CO 0.04 0.74 -0.04 1.56 -0.53 0.00 0.00 176.83 178.60 2ouu h GLN 598 N 1.21 0.87 -0.26 2.24 1.08 -0.93 -1.64 115.11 117.68 2ouu h GLN 598 Ca 0.33 -0.26 -0.02 0.00 -1.45 0.00 0.00 58.65 57.25 2ouu h GLN 598 Cb -0.12 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.21 2ouu h GLN 598 CO -0.08 0.89 0.10 1.15 -0.95 0.00 0.00 178.83 179.95 2ouu h THR 599 N 0.80 1.17 -0.53 -0.54 2.02 -0.48 -1.67 112.91 113.69 2ouu h THR 599 Ca 0.15 -0.53 0.01 0.00 0.77 0.00 0.00 66.41 66.80 2ouu h THR 599 Cb 0.53 1.04 -0.03 0.00 -1.74 0.00 0.00 68.15 67.95 2ouu h THR 599 CO 0.03 0.18 0.34 0.58 0.37 0.00 0.00 175.52 177.02 2ouu h VAL 600 N 0.27 1.12 -0.91 3.16 2.07 -1.05 -1.72 116.25 119.18 2ouu h VAL 600 Ca 0.09 -0.24 0.02 0.00 0.82 0.00 0.00 66.70 67.39 2ouu h VAL 600 Cb 0.18 0.36 -0.05 0.00 -1.52 0.00 0.00 31.29 30.26 2ouu h VAL 600 CO -0.01 0.13 0.60 0.28 0.02 0.00 0.00 177.57 178.59 2ouu h SER 601 N 0.70 1.01 -0.34 0.57 0.02 -1.01 -1.66 113.55 112.85 2ouu h SER 601 Ca 0.20 -0.02 -0.15 0.00 -0.84 0.00 0.00 61.79 60.98 2ouu h SER 601 Cb -0.06 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.23 2ouu h SER 601 CO -0.05 0.72 -0.37 0.40 -1.14 0.00 0.00 176.83 176.38 2ouu h ILE 602 N 1.19 1.28 0.00 3.27 2.04 -0.90 -2.78 117.51 121.61 2ouu h ILE 602 Ca 0.35 -1.55 -0.01 0.00 1.00 0.00 0.00 64.86 64.65 2ouu h ILE 602 Cb -0.07 1.47 -0.00 0.00 -0.74 0.00 0.00 36.82 37.49 2ouu h ILE 602 CO -0.09 0.51 -0.03 -0.07 0.00 0.00 0.00 178.15 178.47 2ouu h LEU 603 N 0.65 0.00 -0.50 1.44 3.38 -0.79 -1.57 115.31 117.92 2ouu h LEU 603 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2ouu h LEU 603 Cb 0.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.71 2ouu h LEU 603 CO 0.09 0.03 -0.27 0.00 0.09 0.00 0.00 178.44 178.38 2ouu n GLN 604 N -3.23 0.84 -2.36 1.13 6.02 -0.67 -3.56 117.38 115.55 2ouu n GLN 604 Ca -0.02 -0.50 -0.40 0.00 -0.01 0.00 0.00 57.00 56.07 2ouu n GLN 604 Cb 0.18 -1.49 -0.03 0.00 1.02 0.00 0.00 30.24 29.92 2ouu n GLN 604 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2ouu s LEU 605 N -2.50 4.41 0.17 1.08 1.43 -0.59 -4.93 118.68 117.74 2ouu s LEU 605 Ca 0.24 2.36 -0.34 0.00 -1.03 0.00 0.00 54.13 55.37 2ouu s LEU 605 Cb 0.19 -3.77 -0.15 0.00 0.03 0.00 0.00 46.19 42.50 2ouu s LEU 605 CO 0.52 -0.38 1.42 1.21 0.23 0.00 0.00 176.35 179.35 2ouu n GLU 606 N 0.74 1.78 -1.00 1.70 2.13 -1.26 -1.06 120.64 123.66 2ouu n GLU 606 Ca 0.01 0.64 0.00 0.00 0.66 0.00 0.00 57.16 58.47 2ouu n GLU 606 Cb 0.45 -2.31 0.00 0.00 0.27 0.00 0.00 31.44 29.85 2ouu n GLU 606 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2ouu n GLY 607 N 2.68 0.29 0.19 8.31 0.00 -1.26 -4.86 105.19 110.54 2ouu n GLY 607 Ca 0.15 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.22 2ouu n GLY 607 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2ouu n HIS 608 N -2.58 0.00 -2.67 1.61 8.25 -0.23 -4.56 115.22 115.05 2ouu n HIS 608 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 2ouu n HIS 608 Cb 0.21 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.29 2ouu n HIS 608 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 2ouu s ASN 609 N -1.45 6.44 0.22 0.41 3.84 -1.23 -4.65 114.94 118.51 2ouu s ASN 609 Ca 0.07 -1.37 0.20 0.00 0.21 0.00 0.00 52.86 51.98 2ouu s ASN 609 Cb 0.08 -2.52 0.91 0.00 -0.55 0.00 0.00 41.25 39.17 2ouu s ASN 609 CO 0.28 -1.46 1.62 2.30 -2.79 0.00 0.00 177.10 177.04 2ouu n ILE 610 N 6.40 0.98 -0.70 -5.21 -5.35 -1.26 -1.95 119.36 112.27 2ouu n ILE 610 Ca 0.22 0.37 0.09 0.00 -0.27 0.00 0.00 62.75 63.16 2ouu n ILE 610 Cb 0.50 -1.30 0.35 0.00 -1.74 0.00 0.00 39.64 37.44 2ouu n ILE 610 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 2ouu n PHE 611 N -2.09 1.49 0.31 4.28 0.99 -1.26 -4.57 117.46 116.60 2ouu n PHE 611 Ca 0.01 -0.66 0.18 0.00 -0.00 0.00 0.00 57.45 56.99 2ouu n PHE 611 Cb 0.16 -0.29 1.00 0.00 -1.00 0.00 0.00 39.48 39.34 2ouu n PHE 611 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 2ouu h SER 612 N 3.69 0.00 0.31 4.37 4.64 -1.80 -2.06 113.55 122.70 2ouu h SER 612 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2ouu h SER 612 Cb 1.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.61 2ouu h SER 612 CO 0.27 0.02 -0.16 0.35 -0.87 0.00 0.00 176.83 176.44 2ouu n THR 613 N -3.43 0.00 -2.56 2.95 -2.24 -1.26 -4.88 114.28 102.85 2ouu n THR 613 Ca -0.02 -0.09 -0.31 0.00 -2.27 0.00 0.00 64.05 61.35 2ouu n THR 613 Cb 0.12 0.10 -0.03 0.00 -2.10 0.00 0.00 70.33 68.42 2ouu n THR 613 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2ouu s LEU 614 N -2.48 3.70 0.78 3.22 1.43 -0.77 -5.04 118.68 119.51 2ouu s LEU 614 Ca 0.27 1.41 -0.11 0.00 -1.03 0.00 0.00 54.13 54.67 2ouu s LEU 614 Cb 0.20 -4.33 0.06 0.00 0.03 0.00 0.00 46.19 42.15 2ouu s LEU 614 CO 0.49 -0.52 1.10 -0.94 0.23 0.00 0.00 176.35 176.71 2ouu s SER 615 N -3.10 4.35 0.45 2.29 1.04 -1.26 -4.72 113.70 112.75 2ouu s SER 615 Ca 0.56 1.90 0.14 0.00 0.48 0.00 0.00 55.95 59.03 2ouu s SER 615 Cb -0.10 -2.53 1.06 0.00 0.10 0.00 0.00 66.02 64.55 2ouu s SER 615 CO 0.31 -2.14 2.03 0.77 0.98 0.00 0.00 173.24 175.19 2ouu h SER 616 N -1.09 0.30 -0.15 7.02 4.64 -1.97 0.94 113.55 123.25 2ouu h SER 616 Ca -0.44 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.85 2ouu h SER 616 Cb 1.24 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2ouu h SER 616 CO 0.50 0.19 -0.03 -1.28 -0.87 0.00 0.00 176.83 175.35 2ouu h SER 617 N 0.34 0.28 -0.26 4.97 0.87 -2.00 -2.07 113.55 115.68 2ouu h SER 617 Ca 0.20 -0.35 -0.11 0.00 -1.23 0.00 0.00 61.79 60.30 2ouu h SER 617 Cb 0.37 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.24 2ouu h SER 617 CO -0.05 0.57 -0.21 -0.33 -0.53 0.00 0.00 176.83 176.28 2ouu h GLU 618 N -0.01 0.73 -0.33 2.24 5.08 -1.71 -1.73 114.58 118.84 2ouu h GLU 618 Ca 0.04 -0.29 0.01 0.00 -1.00 0.00 0.00 59.36 58.12 2ouu h GLU 618 Cb 0.44 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 2ouu h GLU 618 CO 0.01 0.88 0.20 -0.92 -1.00 0.00 0.00 179.01 178.19 2ouu h TYR 619 N 0.64 0.38 -0.75 4.33 3.20 -0.76 0.11 116.97 124.12 2ouu h TYR 619 Ca 0.09 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.96 2ouu h TYR 619 Cb 0.71 -0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.82 2ouu h TYR 619 CO 0.03 0.23 0.40 0.93 -1.64 0.00 0.00 178.16 178.12 2ouu h GLU 620 N 0.42 1.06 -0.19 1.82 4.39 -1.19 -1.31 114.58 119.57 2ouu h GLU 620 Ca 0.13 -0.13 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 2ouu h GLU 620 Cb -0.02 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.42 2ouu h GLU 620 CO -0.05 0.79 0.11 1.96 -1.16 0.00 0.00 179.01 180.66 2ouu h GLN 621 N 1.04 0.26 -0.38 2.33 4.20 -0.61 -1.98 115.11 119.98 2ouu h GLN 621 Ca 0.26 -0.03 -0.10 0.00 0.06 0.00 0.00 58.65 58.85 2ouu h GLN 621 Cb 0.05 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 2ouu h GLN 621 CO -0.04 0.24 -0.18 -0.24 -0.67 0.00 0.00 178.83 177.94 2ouu h VAL 622 N 0.22 1.26 -0.02 -0.54 3.04 -0.61 -1.68 116.25 117.92 2ouu h VAL 622 Ca 0.07 -1.23 -0.07 0.00 -1.01 0.00 0.00 66.70 64.46 2ouu h VAL 622 Cb 0.04 1.16 -0.01 0.00 -2.01 0.00 0.00 31.29 30.48 2ouu h VAL 622 CO -0.01 0.41 -0.31 -0.07 -1.01 0.00 0.00 177.57 176.58 2ouu h LEU 623 N 0.63 0.03 -0.16 3.16 -0.00 -1.07 -1.01 115.31 116.89 2ouu h LEU 623 Ca 0.10 -0.01 -0.19 0.00 -0.00 0.00 0.00 57.88 57.78 2ouu h LEU 623 Cb 0.65 -0.01 0.01 0.00 -0.00 0.00 0.00 40.66 41.31 2ouu h LEU 623 CO 0.05 0.34 -0.66 -0.08 -0.00 0.00 0.00 178.44 178.08 2ouu h GLU 624 N 0.03 0.72 -0.40 1.13 4.57 -0.94 -0.18 114.58 119.52 2ouu h GLU 624 Ca 0.00 -0.57 0.02 0.00 -1.18 0.00 0.00 59.36 57.64 2ouu h GLU 624 Cb 0.56 0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 29.23 2ouu h GLU 624 CO 0.04 1.18 0.21 0.82 -1.18 0.00 0.00 179.01 180.09 2ouu h ILE 625 N 0.42 1.00 -0.27 2.32 2.04 -0.95 -1.00 117.51 121.08 2ouu h ILE 625 Ca -0.04 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 2ouu h ILE 625 Cb 1.29 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 2ouu h ILE 625 CO 0.14 0.08 0.12 0.40 0.00 0.00 0.00 178.15 178.89 2ouu h ILE 626 N 0.43 1.16 -0.02 -0.67 2.04 -1.11 -1.32 117.51 118.02 2ouu h ILE 626 Ca 0.16 -0.47 0.01 0.00 1.00 0.00 0.00 64.86 65.57 2ouu h ILE 626 Cb 0.05 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 2ouu h ILE 626 CO -0.10 0.16 -0.04 -0.09 0.00 0.00 0.00 178.15 178.09 2ouu h ARG 627 N 0.30 -0.06 -0.81 2.37 2.43 -0.70 -0.54 114.38 117.37 2ouu h ARG 627 Ca 0.09 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 2ouu h ARG 627 Cb 0.14 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.67 2ouu h ARG 627 CO -0.01 -0.04 0.52 0.87 -1.51 0.00 0.00 179.97 179.80 2ouu h LYS 628 N -0.06 1.08 -0.43 0.20 1.57 -1.14 -1.15 116.57 116.62 2ouu h LYS 628 Ca 0.02 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 2ouu h LYS 628 Cb 0.09 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 2ouu h LYS 628 CO -0.05 0.73 0.16 0.00 -0.57 0.00 0.00 179.45 179.71 2ouu h ALA 629 N 1.29 0.57 -0.42 3.86 0.00 -0.90 -1.47 119.26 122.17 2ouu h ALA 629 Ca 0.30 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 2ouu h ALA 629 Cb -0.10 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2ouu h ALA 629 CO -0.06 0.19 -0.06 0.82 0.00 0.00 0.00 179.25 180.14 2ouu h ILE 630 N 0.56 1.27 -0.92 0.00 2.04 -0.84 -2.83 117.51 116.79 2ouu h ILE 630 Ca 0.14 -1.13 0.03 0.00 1.00 0.00 0.00 64.86 64.90 2ouu h ILE 630 Cb 0.22 1.14 -0.05 0.00 -0.74 0.00 0.00 36.82 37.39 2ouu h ILE 630 CO -0.01 0.38 0.60 0.40 0.00 0.00 0.00 178.15 179.53 2ouu h ILE 631 N 0.62 1.18 0.00 -0.67 1.08 -1.09 -1.65 117.51 116.98 2ouu h ILE 631 Ca 0.11 -0.41 0.00 0.00 -0.39 0.00 0.00 64.86 64.18 2ouu h ILE 631 Cb 0.57 -0.11 0.00 0.00 -3.07 0.00 0.00 36.82 34.21 2ouu h ILE 631 CO 0.03 0.22 0.00 0.00 -0.69 0.00 0.00 178.15 177.71 2ouu h ALA 632 N 1.36 1.00 0.00 1.87 0.00 -1.02 -1.75 119.26 120.72 2ouu h ALA 632 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2ouu h ALA 632 Cb -0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2ouu h ALA 632 CO -0.10 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.40 2ouu n THR 633 N -2.35 0.03 -2.41 0.00 -2.24 -0.62 -4.56 114.28 102.13 2ouu n THR 633 Ca -0.01 0.01 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 2ouu n THR 633 Cb 0.08 -0.63 -0.03 0.00 -2.10 0.00 0.00 70.33 67.66 2ouu n THR 633 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2ouu s ASP 634 N -2.05 6.18 0.58 3.42 -1.08 -0.66 -4.86 116.67 118.19 2ouu s ASP 634 Ca 0.35 0.31 0.28 0.00 -0.52 0.00 0.00 52.55 52.97 2ouu s ASP 634 Cb 0.17 -2.55 1.53 0.00 -1.46 0.00 0.00 42.92 40.61 2ouu s ASP 634 CO 0.29 -1.66 2.00 0.25 0.52 0.00 0.00 175.17 176.56 2ouu h LEU 635 N 12.90 0.00 -2.25 -1.34 5.85 -1.90 -0.05 115.31 128.52 2ouu h LEU 635 Ca -0.27 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.45 2ouu h LEU 635 Cb 1.09 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.12 2ouu h LEU 635 CO 1.17 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 179.27 2ouu h ALA 636 N 1.63 1.75 0.00 1.25 0.00 -1.94 -1.44 119.26 120.51 2ouu h ALA 636 Ca 0.17 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 2ouu h ALA 636 Cb 0.87 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 2ouu h ALA 636 CO -0.00 -0.00 -0.68 -0.07 0.00 0.00 0.00 179.25 178.50 2ouu h LEU 637 N 0.00 0.00 -0.47 0.00 3.38 -1.34 -3.38 115.31 113.50 2ouu h LEU 637 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2ouu h LEU 637 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2ouu h LEU 637 CO -0.00 0.01 0.31 0.22 0.09 0.00 0.00 178.44 179.07 2ouu h TYR 638 N 0.00 0.60 -0.33 1.13 3.20 -1.25 -2.49 116.97 117.84 2ouu h TYR 638 Ca -0.00 0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.94 2ouu h TYR 638 Cb 1.01 -0.20 -0.05 0.00 1.54 0.00 0.00 36.73 39.03 2ouu h TYR 638 CO 0.00 0.38 0.02 0.74 -1.64 0.00 0.00 178.16 177.66 2ouu h PHE 639 N 0.64 0.02 -0.39 -3.82 -1.00 -1.74 0.18 116.94 110.84 2ouu h PHE 639 Ca 0.17 0.02 -0.12 0.00 2.81 0.00 0.00 57.97 60.86 2ouu h PHE 639 Cb -0.07 0.04 -0.01 0.00 3.61 0.00 0.00 35.95 39.51 2ouu h PHE 639 CO -0.04 -0.03 -0.24 0.78 -1.61 0.00 0.00 178.31 177.16 2ouu h GLY 640 N 0.12 0.86 0.91 -1.45 0.00 -1.81 -1.73 103.07 99.97 2ouu h GLY 640 Ca 0.16 -0.75 -0.02 0.00 0.00 0.00 0.00 47.33 46.72 2ouu h GLY 640 CO -0.24 0.68 0.11 -0.57 0.00 0.00 0.00 176.54 176.52 2ouu h ASN 641 N 0.69 0.40 -0.63 0.19 -0.00 -0.90 -1.14 115.58 114.18 2ouu h ASN 641 Ca 0.09 -0.17 -0.09 0.00 -0.00 0.00 0.00 56.30 56.13 2ouu h ASN 641 Cb 0.76 -0.10 -0.02 0.00 -0.00 0.00 0.00 38.32 38.95 2ouu h ASN 641 CO 0.06 0.46 0.06 -0.09 -0.00 0.00 0.00 177.43 177.92 2ouu h ARG 642 N 0.31 1.08 -0.38 6.67 2.43 -0.59 -1.10 114.38 122.80 2ouu h ARG 642 Ca 0.09 -0.31 0.01 0.00 -0.81 0.00 0.00 59.98 58.96 2ouu h ARG 642 Cb 0.19 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 2ouu h ARG 642 CO -0.01 1.02 0.25 -0.22 -1.51 0.00 0.00 179.97 179.50 2ouu h LYS 643 N 1.00 0.49 -0.39 0.20 3.64 -1.13 0.15 116.57 120.53 2ouu h LYS 643 Ca 0.19 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 2ouu h LYS 643 Cb 0.50 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 2ouu h LYS 643 CO 0.02 0.32 0.21 1.96 -2.27 0.00 0.00 179.45 179.70 2ouu h GLN 644 N 0.50 0.54 -0.75 1.90 1.08 -0.97 -2.06 115.11 115.35 2ouu h GLN 644 Ca 0.14 -0.06 -0.02 0.00 -1.45 0.00 0.00 58.65 57.26 2ouu h GLN 644 Cb -0.05 -0.11 -0.04 0.00 -0.05 0.00 0.00 27.48 27.24 2ouu h GLN 644 CO -0.04 0.44 0.40 -0.07 -0.95 0.00 0.00 178.83 178.62 2ouu h LEU 645 N 0.50 0.94 -0.45 1.46 3.38 -0.88 -0.93 115.31 119.33 2ouu h LEU 645 Ca 0.14 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 2ouu h LEU 645 Cb 0.06 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 2ouu h LEU 645 CO -0.02 0.77 0.11 -0.08 0.09 0.00 0.00 178.44 179.30 2ouu h GLU 646 N 1.05 0.72 -0.54 1.13 4.57 -0.72 -0.14 114.58 120.66 2ouu h GLU 646 Ca 0.26 -0.18 -0.03 0.00 -1.18 0.00 0.00 59.36 58.24 2ouu h GLU 646 Cb 0.05 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.52 2ouu h GLU 646 CO -0.04 0.72 0.21 1.49 -1.18 0.00 0.00 179.01 180.21 2ouu h GLU 647 N 0.60 0.80 -0.66 1.92 4.57 -0.98 -0.51 114.58 120.32 2ouu h GLU 647 Ca 0.14 -0.15 -0.08 0.00 -1.18 0.00 0.00 59.36 58.09 2ouu h GLU 647 Cb 0.33 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.76 2ouu h GLU 647 CO 0.00 0.71 0.10 0.52 -1.18 0.00 0.00 179.01 179.15 2ouu h MET 648 N 0.73 1.10 -0.08 1.92 2.86 -1.01 -1.64 114.93 118.81 2ouu h MET 648 Ca 0.18 -0.30 -0.01 0.00 -2.06 0.00 0.00 59.70 57.51 2ouu h MET 648 Cb 0.21 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 31.74 2ouu h MET 648 CO -0.01 1.01 0.02 -0.92 1.06 0.00 0.00 176.91 178.07 2ouu h TYR 649 N 1.02 0.13 -0.66 -0.22 3.20 -0.77 0.11 116.97 119.79 2ouu h TYR 649 Ca 0.20 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.06 2ouu h TYR 649 Cb 0.45 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.65 2ouu h TYR 649 CO 0.03 0.32 0.43 1.96 -1.64 0.00 0.00 178.16 179.27 2ouu h GLN 650 N -0.09 0.85 -0.00 1.82 4.20 -0.99 -2.22 115.11 118.68 2ouu h GLN 650 Ca 0.02 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.68 2ouu h GLN 650 Cb 0.25 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.84 2ouu h GLN 650 CO 0.00 0.57 -0.00 0.25 -0.67 0.00 0.00 178.83 178.97 2ouu n THR 651 N -4.64 0.00 -1.21 -0.54 -2.24 -0.63 -4.90 114.28 100.12 2ouu n THR 651 Ca 0.05 -0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.80 2ouu n THR 651 Cb 0.02 -0.50 -0.01 0.00 -2.10 0.00 0.00 70.33 67.74 2ouu n THR 651 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ouu n GLY 652 N 1.38 0.59 0.04 3.38 0.00 -0.72 -4.93 105.19 104.93 2ouu n GLY 652 Ca 0.11 -0.90 0.11 0.00 0.00 0.00 0.00 46.02 45.34 2ouu n GLY 652 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ouu n SER 653 N 1.44 0.63 -4.69 1.61 7.64 0.32 -4.92 113.62 115.64 2ouu n SER 653 Ca -0.03 -0.17 -0.42 0.00 1.01 0.00 0.00 58.87 59.26 2ouu n SER 653 Cb 0.16 0.65 -0.03 0.00 -1.01 0.00 0.00 64.21 63.98 2ouu n SER 653 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2ouu s LEU 654 N -3.91 4.38 -0.18 -3.43 2.96 -0.82 -4.98 118.68 112.70 2ouu s LEU 654 Ca 0.05 2.64 -0.04 0.00 -0.22 0.00 0.00 54.13 56.56 2ouu s LEU 654 Cb 0.14 -3.57 0.06 0.00 0.50 0.00 0.00 46.19 43.33 2ouu s LEU 654 CO 0.78 -0.95 0.06 0.21 -1.32 0.00 0.00 176.35 175.13 2ouu s ASN 655 N 2.56 2.63 0.00 3.68 3.04 -1.26 -4.99 114.94 120.60 2ouu s ASN 655 Ca 0.78 -0.72 0.07 0.00 0.04 0.00 0.00 52.86 53.02 2ouu s ASN 655 Cb -0.43 -0.42 0.32 0.00 -1.54 0.00 0.00 41.25 39.17 2ouu s ASN 655 CO 0.35 -0.33 1.13 0.18 -3.04 0.00 0.00 177.10 175.39 2ouu n LEU 656 N 5.16 0.00 0.03 3.21 4.32 -1.26 -0.94 117.00 127.53 2ouu n LEU 656 Ca -0.08 0.38 0.12 0.00 -0.02 0.00 0.00 56.01 56.41 2ouu n LEU 656 Cb 0.48 -0.38 0.27 0.00 -1.62 0.00 0.00 43.42 42.17 2ouu n LEU 656 CO 0.11 -0.29 0.49 0.59 -1.22 0.00 0.00 177.39 177.07 2ouu n ASN 657 N -1.38 0.54 -4.59 -1.43 3.02 -1.26 -4.56 115.26 105.60 2ouu n ASN 657 Ca 0.03 0.04 -0.42 0.00 -0.03 0.00 0.00 54.58 54.20 2ouu n ASN 657 Cb 0.06 0.07 -0.06 0.00 -0.61 0.00 0.00 39.78 39.25 2ouu n ASN 657 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2ouu s ASN 658 N -3.60 6.54 0.31 6.41 3.04 -0.11 -4.95 114.94 122.58 2ouu s ASN 658 Ca 0.09 0.41 0.07 0.00 0.04 0.00 0.00 52.86 53.47 2ouu s ASN 658 Cb 0.16 -2.37 0.75 0.00 -1.54 0.00 0.00 41.25 38.25 2ouu s ASN 658 CO 0.68 -0.60 1.80 -0.61 -3.04 0.00 0.00 177.10 175.33 2ouu h GLN 659 N 8.31 0.74 -0.38 0.43 5.75 -1.85 0.75 115.11 128.86 2ouu h GLN 659 Ca -0.25 -0.04 -0.11 0.00 -0.15 0.00 0.00 58.65 58.09 2ouu h GLN 659 Cb 1.10 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 29.47 2ouu h GLN 659 CO 0.86 0.49 -0.21 0.66 -2.65 0.00 0.00 178.83 177.98 2ouu h SER 660 N 0.76 0.76 -0.28 -0.69 4.64 -1.92 0.13 113.55 116.94 2ouu h SER 660 Ca 0.55 -0.27 -0.07 0.00 -0.47 0.00 0.00 61.79 61.54 2ouu h SER 660 Cb 0.86 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.74 2ouu h SER 660 CO -0.34 0.95 -0.11 0.45 -0.87 0.00 0.00 176.83 176.92 2ouu h HIS 661 N 0.66 0.64 -0.72 4.77 3.86 -1.44 -2.31 115.15 120.61 2ouu h HIS 661 Ca 0.09 -0.15 0.02 0.00 -1.16 0.00 0.00 60.37 59.17 2ouu h HIS 661 Cb 0.71 -0.15 -0.04 0.00 1.06 0.00 0.00 27.41 28.99 2ouu h HIS 661 CO 0.04 0.79 0.46 -0.09 0.86 0.00 0.00 177.93 179.99 2ouu h ARG 662 N 0.31 0.89 -0.45 2.45 2.43 -0.67 -1.09 114.38 118.24 2ouu h ARG 662 Ca 0.07 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.14 2ouu h ARG 662 Cb 0.61 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 2ouu h ARG 662 CO 0.04 0.59 0.08 -0.44 -1.51 0.00 0.00 179.97 178.73 2ouu h ASP 663 N 0.92 0.63 -0.41 -3.80 3.32 -0.63 -1.35 116.42 115.10 2ouu h ASP 663 Ca 0.28 -0.11 -0.08 0.00 0.02 0.00 0.00 57.03 57.14 2ouu h ASP 663 Cb -0.03 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 2ouu h ASP 663 CO -0.09 0.65 -0.07 0.03 -1.72 0.00 0.00 179.24 178.04 2ouu h ARG 664 N 0.66 0.77 -0.60 3.56 3.08 -0.74 -0.00 114.38 121.11 2ouu h ARG 664 Ca 0.15 -0.28 -0.03 0.00 0.07 0.00 0.00 59.98 59.88 2ouu h ARG 664 Cb 0.29 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 2ouu h ARG 664 CO 0.00 0.88 0.25 0.28 -1.07 0.00 0.00 179.97 180.31 2ouu h VAL 665 N 0.59 1.23 -0.81 2.04 2.07 -0.93 0.04 116.25 120.48 2ouu h VAL 665 Ca 0.11 -0.70 -0.03 0.00 0.82 0.00 0.00 66.70 66.90 2ouu h VAL 665 Cb 0.58 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 2ouu h VAL 665 CO 0.03 0.28 0.39 0.40 0.02 0.00 0.00 177.57 178.69 2ouu h ILE 666 N 0.83 1.25 -0.62 4.57 2.04 -1.12 -0.18 117.51 124.28 2ouu h ILE 666 Ca 0.20 -0.70 0.00 0.00 1.00 0.00 0.00 64.86 65.36 2ouu h ILE 666 Cb 0.19 0.21 -0.03 0.00 -0.74 0.00 0.00 36.82 36.45 2ouu h ILE 666 CO -0.02 0.30 0.39 1.23 0.00 0.00 0.00 178.15 180.05 2ouu h GLY 667 N 1.18 0.88 1.49 5.37 0.00 -0.15 -0.02 103.07 111.83 2ouu h GLY 667 Ca 0.28 -0.35 -0.07 0.00 0.00 0.00 0.00 47.33 47.18 2ouu h GLY 667 CO -0.04 0.34 -0.09 -2.00 0.00 0.00 0.00 176.54 174.76 2ouu h LEU 668 N 0.84 0.59 -0.80 3.11 5.85 -0.51 -1.84 115.31 122.55 2ouu h LEU 668 Ca 0.22 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 2ouu h LEU 668 Cb -0.05 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.78 2ouu h LEU 668 CO -0.04 0.73 0.42 0.24 -0.34 0.00 0.00 178.44 179.44 2ouu h MET 669 N 0.57 1.14 -0.82 1.25 2.86 -0.34 -0.24 114.93 119.34 2ouu h MET 669 Ca 0.11 -0.15 -0.04 0.00 -2.06 0.00 0.00 59.70 57.56 2ouu h MET 669 Cb 0.49 -0.21 -0.04 0.00 0.06 0.00 0.00 31.60 31.90 2ouu h MET 669 CO 0.03 0.86 0.36 0.52 1.06 0.00 0.00 176.91 179.73 2ouu h MET 670 N 1.13 1.21 -0.32 1.72 2.86 -0.41 -0.35 114.93 120.76 2ouu h MET 670 Ca 0.28 -0.20 -0.03 0.00 -2.06 0.00 0.00 59.70 57.68 2ouu h MET 670 Cb 0.07 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.51 2ouu h MET 670 CO -0.04 0.96 0.06 1.15 1.06 0.00 0.00 176.91 180.10 2ouu h THR 671 N 1.19 1.23 -0.93 2.22 2.02 -0.91 0.32 112.91 118.04 2ouu h THR 671 Ca 0.28 -0.78 0.07 0.00 0.77 0.00 0.00 66.41 66.75 2ouu h THR 671 Cb 0.18 1.13 -0.07 0.00 -1.74 0.00 0.00 68.15 67.65 2ouu h THR 671 CO -0.03 0.26 0.59 0.00 0.37 0.00 0.00 175.52 176.71 2ouu h ALA 672 N 0.90 1.30 -0.23 6.16 0.00 -0.62 -1.21 119.26 125.57 2ouu h ALA 672 Ca 0.10 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 2ouu h ALA 672 Cb 0.32 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2ouu h ALA 672 CO 0.00 0.35 -0.46 0.00 0.00 0.00 0.00 179.25 179.14 2ouu h ALA 674 N 0.62 1.77 -0.33 0.00 0.00 -0.32 -2.35 119.26 118.65 2ouu h ALA 674 Ca 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2ouu h ALA 674 Cb 1.06 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2ouu h ALA 674 CO 0.10 0.20 0.00 1.28 0.00 0.00 0.00 179.25 180.84 2ouu n LEU 675 N -4.48 3.10 0.00 0.00 4.77 -0.51 -4.67 117.00 115.21 2ouu n LEU 675 Ca 0.01 -1.31 0.00 0.00 -0.03 0.00 0.00 56.01 54.68 2ouu n LEU 675 Cb 0.08 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 2ouu n LEU 675 CO 0.35 0.66 0.44 0.00 -1.33 0.00 0.00 177.39 177.51 2ouu h SER 677 N 0.00 0.00 -0.03 0.00 0.02 -1.84 -1.02 113.55 110.67 2ouu h SER 677 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2ouu h SER 677 Cb 0.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.57 2ouu h SER 677 CO 0.00 0.00 0.00 1.33 -1.14 0.00 0.00 176.83 177.02 2ouu n VAL 678 N -3.09 0.04 -0.51 2.27 0.24 -0.82 -3.49 118.33 112.97 2ouu n VAL 678 Ca -0.01 -0.08 0.05 0.00 -2.04 0.00 0.00 64.34 62.26 2ouu n VAL 678 Cb 0.18 -0.16 0.11 0.00 -1.47 0.00 0.00 33.84 32.50 2ouu n VAL 678 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2ouu n THR 679 N -0.57 1.47 -2.59 3.34 -2.24 -0.39 -3.90 114.28 109.39 2ouu n THR 679 Ca 0.16 -1.52 -0.24 0.00 -2.27 0.00 0.00 64.05 60.18 2ouu n THR 679 Cb 0.13 0.16 0.12 0.00 -2.10 0.00 0.00 70.33 68.64 2ouu n THR 679 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2ouu s LYS 680 N -1.85 1.56 0.60 -0.78 -0.14 -1.23 -4.44 119.74 113.46 2ouu s LYS 680 Ca 0.20 -1.18 -0.17 0.00 -1.36 0.00 0.00 55.97 53.47 2ouu s LYS 680 Cb 0.16 -2.32 -0.03 0.00 -1.68 0.00 0.00 37.83 33.96 2ouu s LYS 680 CO 0.05 -1.54 1.09 -0.51 -0.76 0.00 0.00 175.35 173.68 2ouu s LEU 681 N -5.18 3.55 0.27 3.17 1.43 -1.26 -4.67 118.68 115.98 2ouu s LEU 681 Ca 0.68 1.99 -0.01 0.00 -1.03 0.00 0.00 54.13 55.75 2ouu s LEU 681 Cb -0.04 -4.55 0.58 0.00 0.03 0.00 0.00 46.19 42.20 2ouu s LEU 681 CO 0.45 -1.32 1.70 -0.25 0.23 0.00 0.00 176.35 177.17 2ouu h TRP 682 N 0.58 0.52 0.00 0.29 -0.00 -1.97 0.04 115.95 115.41 2ouu h TRP 682 Ca -0.48 0.04 -0.00 0.00 -0.00 0.00 0.00 58.89 58.45 2ouu h TRP 682 Cb 1.24 -0.10 -0.00 0.00 -0.00 0.00 0.00 29.16 30.30 2ouu h TRP 682 CO 0.55 -0.02 -0.01 -1.35 -0.00 0.00 0.00 178.44 177.61 2ouu h PRO 683 N 0.39 0.00 0.01 2.65 0.11 -2.00 -0.28 132.00 132.88 2ouu h PRO 683 Ca 0.48 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 66.30 2ouu h PRO 683 Cb 0.84 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.91 2ouu h PRO 683 CO -0.49 0.01 -1.60 0.28 -0.21 0.00 0.00 178.00 175.99 2ouu n VAL 684 N -3.39 1.55 -0.28 3.15 0.31 -0.14 -4.41 118.33 115.13 2ouu n VAL 684 Ca -0.03 -0.15 -0.03 0.00 -0.01 0.00 0.00 64.34 64.12 2ouu n VAL 684 Cb 0.09 -1.98 0.13 0.00 -0.91 0.00 0.00 33.84 31.18 2ouu n VAL 684 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 2ouu h THR 685 N -0.91 1.24 -0.19 2.52 2.02 -0.97 -2.74 112.91 113.88 2ouu h THR 685 Ca -0.43 -0.62 0.05 0.00 0.77 0.00 0.00 66.41 66.18 2ouu h THR 685 Cb 1.43 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.98 2ouu h THR 685 CO -0.23 0.28 0.15 0.07 0.37 0.00 0.00 175.52 176.15 2ouu h LYS 686 N 1.15 0.00 -0.00 6.66 2.10 -1.26 -1.33 116.57 123.89 2ouu h LYS 686 Ca 0.29 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.94 2ouu h LYS 686 Cb 0.05 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.38 2ouu h LYS 686 CO -0.04 0.00 -0.01 1.28 -2.00 0.00 0.00 179.45 178.68 2ouu n LEU 687 N -4.25 0.04 -1.01 7.07 4.77 -1.03 -3.55 117.00 119.03 2ouu n LEU 687 Ca 0.02 0.19 0.08 0.00 -0.03 0.00 0.00 56.01 56.26 2ouu n LEU 687 Cb 0.28 -0.20 0.24 0.00 -2.33 0.00 0.00 43.42 41.42 2ouu n LEU 687 CO 0.33 0.01 0.71 0.35 -1.33 0.00 0.00 177.39 177.45 2ouu n THR 688 N -1.18 1.42 -0.31 -5.08 -2.24 -0.50 -4.71 114.28 101.68 2ouu n THR 688 Ca 0.17 -1.20 0.21 0.00 -2.27 0.00 0.00 64.05 60.95 2ouu n THR 688 Cb 0.21 0.28 0.48 0.00 -2.10 0.00 0.00 70.33 69.20 2ouu n THR 688 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ouu h ALA 689 N 2.79 2.15 0.00 6.98 0.00 -1.68 -1.26 119.26 128.24 2ouu h ALA 689 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2ouu h ALA 689 Cb 1.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2ouu h ALA 689 CO 0.09 -0.52 0.00 -0.91 0.00 0.00 0.00 179.25 177.91 2ouu h ASN 690 N 0.45 0.00 -0.60 0.00 2.35 -1.91 -3.37 115.58 112.50 2ouu h ASN 690 Ca 0.57 0.00 0.12 0.00 -0.55 0.00 0.00 56.30 56.44 2ouu h ASN 690 Cb 1.35 0.00 -0.11 0.00 0.05 0.00 0.00 38.32 39.61 2ouu h ASN 690 CO -0.28 0.00 -0.13 0.44 -1.65 0.00 0.00 177.43 175.81 2ouu h ASP 691 N 0.00 -0.51 0.20 5.81 5.19 -1.60 -1.36 116.42 124.16 2ouu h ASP 691 Ca 0.00 0.18 0.00 0.00 -0.62 0.00 0.00 57.03 56.59 2ouu h ASP 691 Cb 0.58 0.35 0.00 0.00 0.18 0.00 0.00 39.33 40.44 2ouu h ASP 691 CO 0.00 -0.19 0.00 2.30 -3.12 0.00 0.00 179.24 178.23 2ouu n ILE 692 N -5.39 0.37 0.77 0.35 -5.35 -1.26 -2.30 119.36 106.54 2ouu n ILE 692 Ca 0.07 0.09 0.08 0.00 -0.27 0.00 0.00 62.75 62.72 2ouu n ILE 692 Cb 0.32 -0.83 -0.08 0.00 -1.74 0.00 0.00 39.64 37.32 2ouu n ILE 692 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 2ouu n TYR 693 N -1.19 0.00 -0.25 4.28 4.02 -0.52 -4.68 117.16 118.81 2ouu n TYR 693 Ca 0.09 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 58.01 2ouu n TYR 693 Cb 0.10 0.00 0.11 0.00 -0.02 0.00 0.00 39.34 39.53 2ouu n TYR 693 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2ouu h ALA 694 N 2.44 0.59 -0.28 -0.72 0.00 -1.35 -0.36 119.26 119.57 2ouu h ALA 694 Ca 0.00 0.26 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 2ouu h ALA 694 Cb 0.42 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 2ouu h ALA 694 CO 0.00 -0.42 0.08 0.93 0.00 0.00 0.00 179.25 179.84 2ouu h GLU 695 N 0.04 0.43 -0.16 0.00 4.39 -1.82 -0.75 114.58 116.71 2ouu h GLU 695 Ca 0.37 -0.09 -0.00 0.00 0.34 0.00 0.00 59.36 59.97 2ouu h GLU 695 Cb 0.60 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.18 2ouu h GLU 695 CO -0.71 0.50 0.09 0.74 -1.16 0.00 0.00 179.01 178.47 2ouu h PHE 696 N 0.28 0.21 -0.15 4.33 0.04 -1.71 -2.57 116.94 117.37 2ouu h PHE 696 Ca 0.09 -0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.76 2ouu h PHE 696 Cb 0.25 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.32 2ouu h PHE 696 CO 0.01 0.17 -0.32 -1.49 -0.60 0.00 0.00 178.31 176.08 2ouu h TRP 697 N 0.18 0.34 -0.68 -0.55 6.55 -1.04 -1.75 115.95 119.00 2ouu h TRP 697 Ca 0.06 -0.08 -0.05 0.00 0.95 0.00 0.00 58.89 59.77 2ouu h TRP 697 Cb 0.03 -0.08 -0.03 0.00 -0.86 0.00 0.00 29.16 28.22 2ouu h TRP 697 CO -0.05 0.59 0.23 0.00 -1.05 0.00 0.00 178.44 178.16 2ouu h ALA 698 N 1.41 0.89 -0.47 1.49 0.00 -0.98 0.96 119.26 122.55 2ouu h ALA 698 Ca 0.04 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.61 2ouu h ALA 698 Cb 0.70 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2ouu h ALA 698 CO 0.05 0.54 -0.21 1.49 0.00 0.00 0.00 179.25 181.13 2ouu h GLU 699 N 0.98 0.96 -0.48 0.00 4.81 -1.22 -2.76 114.58 116.87 2ouu h GLU 699 Ca 0.22 -0.40 -0.06 0.00 -0.13 0.00 0.00 59.36 58.99 2ouu h GLU 699 Cb 0.27 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 2ouu h GLU 699 CO -0.01 1.07 0.06 0.78 -0.73 0.00 0.00 179.01 180.18 2ouu h GLY 700 N 0.90 0.82 1.45 1.92 0.00 -0.89 -2.23 103.07 105.04 2ouu h GLY 700 Ca 0.11 -0.50 -0.02 0.00 0.00 0.00 0.00 47.33 46.92 2ouu h GLY 700 CO 0.06 0.47 0.23 -0.55 0.00 0.00 0.00 176.54 176.75 2ouu h ASP 701 N 0.73 0.64 0.02 0.19 3.32 -0.55 -1.08 116.42 119.69 2ouu h ASP 701 Ca 0.15 -0.06 -0.11 0.00 0.02 0.00 0.00 57.03 57.03 2ouu h ASP 701 Cb 0.36 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 2ouu h ASP 701 CO 0.01 0.56 -0.35 -0.33 -1.72 0.00 0.00 179.24 177.40 2ouu h GLU 702 N 0.71 0.46 -0.47 3.56 4.39 -1.16 -2.31 114.58 119.76 2ouu h GLU 702 Ca 0.18 -0.21 -0.12 0.00 0.34 0.00 0.00 59.36 59.55 2ouu h GLU 702 Cb 0.09 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 2ouu h GLU 702 CO -0.02 0.76 -0.18 0.52 -1.16 0.00 0.00 179.01 178.92 2ouu h MET 703 N 0.39 0.93 -0.72 2.33 2.86 -0.99 -2.78 114.93 116.96 2ouu h MET 703 Ca 0.04 -0.37 -0.01 0.00 -2.06 0.00 0.00 59.70 57.30 2ouu h MET 703 Cb 0.81 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.39 2ouu h MET 703 CO 0.07 1.03 0.41 0.87 1.06 0.00 0.00 176.91 180.34 2ouu h LYS 704 N 0.81 0.98 0.00 1.72 1.57 -0.85 -0.44 116.57 120.36 2ouu h LYS 704 Ca 0.12 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2ouu h LYS 704 Cb 0.73 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.84 2ouu h LYS 704 CO 0.06 0.70 0.00 0.87 -0.57 0.00 0.00 179.45 180.51 2ouu h LYS 705 N 0.99 0.00 -0.55 3.15 1.57 -1.14 0.27 116.57 120.86 2ouu h LYS 705 Ca 0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 2ouu h LYS 705 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.30 2ouu h LYS 705 CO -0.04 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.12 2ouu n LEU 706 N -2.88 3.13 -0.38 2.94 4.77 -0.25 -4.91 117.00 119.43 2ouu n LEU 706 Ca -0.01 -1.53 -0.05 0.00 -0.03 0.00 0.00 56.01 54.39 2ouu n LEU 706 Cb 0.15 -0.37 -0.02 0.00 -2.33 0.00 0.00 43.42 40.85 2ouu n LEU 706 CO 0.20 0.77 -0.05 0.61 -1.33 0.00 0.00 177.39 177.59 2ouu n GLY 707 N 1.44 0.76 3.64 -0.72 0.00 0.08 -5.02 105.19 105.37 2ouu n GLY 707 Ca 0.20 -0.81 -0.35 0.00 0.00 0.00 0.00 46.02 45.07 2ouu n GLY 707 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ouu s ILE 708 N -2.18 4.59 -0.48 -0.61 1.01 -0.74 -5.01 121.20 117.78 2ouu s ILE 708 Ca 0.00 -0.12 -0.25 0.00 0.00 0.00 0.00 60.65 60.29 2ouu s ILE 708 Cb 0.00 -3.03 0.03 0.00 0.01 0.00 0.00 42.46 39.47 2ouu s ILE 708 CO 0.00 0.51 0.89 -1.58 0.00 0.00 0.00 174.94 174.76 2ouu s GLN 709 N 0.00 3.45 0.80 2.79 2.00 -1.26 -3.11 119.66 124.33 2ouu s GLN 709 Ca 0.05 -0.02 -0.13 0.00 -2.00 0.00 0.00 55.36 53.26 2ouu s GLN 709 Cb -0.12 -3.96 0.08 0.00 0.80 0.00 0.00 33.01 29.80 2ouu s GLN 709 CO 0.01 -1.27 1.18 -1.25 -0.50 0.00 0.00 175.29 173.47 2ouu s PRO 710 N 3.69 1.72 0.66 1.67 0.04 -1.26 -4.96 135.00 136.57 2ouu s PRO 710 Ca 0.34 1.66 -0.17 0.00 0.04 0.00 0.00 61.00 62.87 2ouu s PRO 710 Cb -0.11 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.64 2ouu s PRO 710 CO 0.24 -2.13 1.21 0.96 0.04 0.00 0.00 177.00 177.32 2ouu s ILE 711 N -2.27 2.47 0.36 0.56 -4.36 -1.26 -4.70 121.20 112.00 2ouu s ILE 711 Ca 0.71 0.26 0.17 0.00 -0.26 0.00 0.00 60.65 61.53 2ouu s ILE 711 Cb -0.26 -2.95 0.36 0.00 1.25 0.00 0.00 42.46 40.86 2ouu s ILE 711 CO 0.51 -0.10 1.67 -0.65 0.24 0.00 0.00 174.94 176.61 2ouu h PRO 712 N 0.26 0.28 -0.55 0.37 0.11 -1.93 0.39 132.00 130.93 2ouu h PRO 712 Ca -0.49 -0.02 0.15 0.00 0.11 0.00 0.00 66.00 65.75 2ouu h PRO 712 Cb 1.30 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 2ouu h PRO 712 CO 0.52 0.19 0.39 1.98 -0.21 0.00 0.00 178.00 180.87 2ouu h MET 713 N 0.29 0.06 -0.27 1.05 4.05 -1.95 -1.40 114.93 116.76 2ouu h MET 713 Ca 0.74 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 60.15 2ouu h MET 713 Cb 1.81 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 32.59 2ouu h MET 713 CO -0.55 0.04 0.00 -1.33 0.23 0.00 0.00 176.91 175.30 2ouu n MET 714 N -4.39 2.05 -3.32 0.39 2.81 0.10 -4.68 117.12 110.08 2ouu n MET 714 Ca 0.10 -1.86 -0.43 0.00 -1.81 0.00 0.00 57.70 53.70 2ouu n MET 714 Cb 0.58 -1.33 -0.09 0.00 -0.71 0.00 0.00 33.22 31.68 2ouu n MET 714 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2ouu s ASP 715 N -1.11 6.20 0.07 7.83 -1.08 -0.53 -3.49 116.67 124.56 2ouu s ASP 715 Ca 0.25 -0.59 0.10 0.00 -0.52 0.00 0.00 52.55 51.79 2ouu s ASP 715 Cb 0.15 -2.23 0.44 0.00 -1.46 0.00 0.00 42.92 39.82 2ouu s ASP 715 CO 0.20 -0.56 1.30 -2.11 0.52 0.00 0.00 175.17 174.52 2ouu n ARG 716 N 5.61 0.04 0.07 4.34 1.85 -1.26 -1.09 116.66 126.22 2ouu n ARG 716 Ca -0.07 0.44 0.13 0.00 -1.00 0.00 0.00 57.85 57.35 2ouu n ARG 716 Cb 0.48 -1.60 0.41 0.00 -1.05 0.00 0.00 32.46 30.70 2ouu n ARG 716 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2ouu n ASP 717 N -1.68 0.61 -4.36 2.89 9.92 -1.26 -4.41 116.55 118.26 2ouu n ASP 717 Ca 0.01 0.46 -0.45 0.00 -0.53 0.00 0.00 54.79 54.28 2ouu n ASP 717 Cb 0.08 -0.55 -0.01 0.00 -0.64 0.00 0.00 41.12 40.00 2ouu n ASP 717 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2ouu s LYS 718 N -3.08 4.05 0.00 -1.24 -0.14 -0.25 -4.79 119.74 114.29 2ouu s LYS 718 Ca 0.11 -2.91 0.13 0.00 -1.36 0.00 0.00 55.97 51.94 2ouu s LYS 718 Cb 0.14 -4.63 0.35 0.00 -1.68 0.00 0.00 37.83 32.01 2ouu s LYS 718 CO 0.60 -1.36 1.28 1.63 -0.76 0.00 0.00 175.35 176.75 2ouu n LYS 719 N 3.59 2.70 0.02 1.68 5.02 -1.26 -4.68 118.16 125.22 2ouu n LYS 719 Ca 0.24 -2.11 0.13 0.00 -2.02 0.00 0.00 58.31 54.55 2ouu n LYS 719 Cb 0.42 -1.32 0.57 0.00 -0.02 0.00 0.00 35.03 34.68 2ouu n LYS 719 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2ouu h ASP 720 N 2.49 0.20 -0.32 4.39 3.32 -1.97 -2.71 116.42 121.82 2ouu h ASP 720 Ca 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 2ouu h ASP 720 Cb 0.77 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.26 2ouu h ASP 720 CO 0.00 0.13 0.01 -0.62 -1.72 0.00 0.00 179.24 177.04 2ouu n GLU 721 N -4.46 2.96 -0.32 3.56 1.02 -1.26 -4.64 120.64 117.49 2ouu n GLU 721 Ca 0.07 -2.92 0.03 0.00 -0.02 0.00 0.00 57.16 54.31 2ouu n GLU 721 Cb 0.35 -1.89 0.21 0.00 -0.02 0.00 0.00 31.44 30.09 2ouu n GLU 721 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2ouu h VAL 722 N 1.88 1.11 -0.67 2.62 2.07 -1.81 -1.58 116.25 119.87 2ouu h VAL 722 Ca 0.04 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 2ouu h VAL 722 Cb 1.56 -0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 2ouu h VAL 722 CO 0.29 0.20 0.41 -0.65 0.02 0.00 0.00 177.57 177.85 2ouu h PRO 723 N 1.11 0.91 -0.60 1.57 0.11 -1.84 -1.99 132.00 131.27 2ouu h PRO 723 Ca 0.39 -0.08 -0.01 0.00 0.11 0.00 0.00 66.00 66.41 2ouu h PRO 723 Cb 0.12 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 31.01 2ouu h PRO 723 CO -0.14 0.64 0.32 1.96 -0.21 0.00 0.00 178.00 180.57 2ouu h GLN 724 N 0.91 0.83 -0.66 1.05 7.50 -1.70 -1.80 115.11 121.24 2ouu h GLN 724 Ca 0.24 -0.09 -0.02 0.00 0.50 0.00 0.00 58.65 59.28 2ouu h GLN 724 Cb -0.04 -0.17 -0.03 0.00 0.05 0.00 0.00 27.48 27.29 2ouu h GLN 724 CO -0.05 0.62 0.33 0.78 -1.50 0.00 0.00 178.83 179.01 2ouu h GLY 725 N 0.90 0.99 0.89 3.46 0.00 -0.62 -1.19 103.07 107.50 2ouu h GLY 725 Ca 0.21 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 2ouu h GLY 725 CO -0.03 0.43 0.07 1.46 0.00 0.00 0.00 176.54 178.47 2ouu h GLN 726 N 0.93 0.24 -0.71 4.80 1.08 -0.67 0.85 115.11 121.62 2ouu h GLN 726 Ca 0.23 -0.04 0.06 0.00 -1.45 0.00 0.00 58.65 57.45 2ouu h GLN 726 Cb 0.07 -0.04 -0.05 0.00 -0.05 0.00 0.00 27.48 27.40 2ouu h GLN 726 CO -0.03 0.31 0.41 1.25 -0.95 0.00 0.00 178.83 179.82 2ouu h LEU 727 N 0.11 0.63 -0.32 1.46 5.85 -1.01 0.16 115.31 122.19 2ouu h LEU 727 Ca 0.05 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.75 2ouu h LEU 727 Cb 0.16 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 2ouu h LEU 727 CO -0.01 0.41 0.01 1.23 -0.34 0.00 0.00 178.44 179.74 2ouu h GLY 728 N 0.76 0.61 1.02 3.75 0.00 -1.00 -2.20 103.07 106.01 2ouu h GLY 728 Ca 0.31 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 47.18 2ouu h GLY 728 CO -0.17 0.41 0.41 -2.75 0.00 0.00 0.00 176.54 174.43 2ouu h PHE 729 N 0.37 1.11 -0.44 5.60 3.57 -0.21 -0.14 116.94 126.80 2ouu h PHE 729 Ca 0.09 -0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.52 2ouu h PHE 729 Cb 0.43 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 2ouu h PHE 729 CO 0.03 0.79 0.15 1.88 -2.23 0.00 0.00 178.31 178.94 2ouu h TYR 730 N 1.10 0.68 -0.07 0.41 -1.99 -0.62 0.16 116.97 116.64 2ouu h TYR 730 Ca 0.27 -0.06 -0.18 0.00 2.00 0.00 0.00 58.73 60.77 2ouu h TYR 730 Cb 0.07 -0.20 -0.01 0.00 2.00 0.00 0.00 36.73 38.60 2ouu h TYR 730 CO 0.01 0.61 -0.71 -0.91 -0.00 0.00 0.00 178.16 177.15 2ouu h ASN 731 N 0.56 0.42 0.71 3.88 2.35 -1.18 0.38 115.58 122.69 2ouu h ASN 731 Ca 0.14 -0.27 -0.24 0.00 -0.55 0.00 0.00 56.30 55.37 2ouu h ASN 731 Cb 0.23 -0.12 -0.04 0.00 0.05 0.00 0.00 38.32 38.44 2ouu h ASN 731 CO -0.01 1.00 -1.42 0.00 -1.65 0.00 0.00 177.43 175.35 2ouu h ALA 732 N 0.99 0.64 0.00 -0.83 0.00 -0.97 -3.42 119.26 115.68 2ouu h ALA 732 Ca -0.03 -1.19 0.00 0.00 0.00 0.00 0.00 54.91 53.70 2ouu h ALA 732 Cb 1.27 0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.32 2ouu h ALA 732 CO 0.12 1.36 -0.03 0.28 0.00 0.00 0.00 179.25 180.98 2ouu n VAL 733 N -3.12 1.04 0.03 0.00 0.31 0.51 -4.81 118.33 112.29 2ouu n VAL 733 Ca -0.10 0.35 -0.13 0.00 -0.01 0.00 0.00 64.34 64.45 2ouu n VAL 733 Cb 0.98 -1.45 -0.08 0.00 -0.91 0.00 0.00 33.84 32.37 2ouu n VAL 733 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ouu h ALA 734 N 0.00 -0.03 -0.23 3.52 0.00 -1.30 -2.56 119.26 118.65 2ouu h ALA 734 Ca 0.00 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.83 2ouu h ALA 734 Cb 0.03 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2ouu h ALA 734 CO 0.00 -0.41 0.09 0.82 0.00 0.00 0.00 179.25 179.75 2ouu h ILE 735 N -0.23 0.96 -0.84 0.00 1.08 -0.51 -1.53 117.51 116.44 2ouu h ILE 735 Ca -0.00 -0.07 -0.00 0.00 -0.39 0.00 0.00 64.86 64.40 2ouu h ILE 735 Cb 0.22 0.73 -0.04 0.00 -3.07 0.00 0.00 36.82 34.66 2ouu h ILE 735 CO 0.00 0.04 0.52 -0.65 -0.69 0.00 0.00 178.15 177.37 2ouu h PRO 736 N 0.20 1.13 0.40 2.37 0.11 -1.78 0.59 132.00 135.03 2ouu h PRO 736 Ca 0.10 -0.09 -0.01 0.00 0.11 0.00 0.00 66.00 66.11 2ouu h PRO 736 Cb 0.06 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 30.91 2ouu h PRO 736 CO -0.09 0.78 -0.29 0.00 -0.21 0.00 0.00 178.00 178.18 2ouu h TYR 738 N -0.68 0.00 -0.13 0.00 -1.99 -1.12 -0.93 116.97 112.12 2ouu h TYR 738 Ca -0.04 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.65 2ouu h TYR 738 Cb 0.58 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.31 2ouu h TYR 738 CO -0.13 0.35 -0.07 1.15 -0.00 0.00 0.00 178.16 179.46 2ouu h THR 739 N 0.00 1.32 -0.53 -2.88 2.02 -0.70 -0.79 112.91 111.35 2ouu h THR 739 Ca -0.00 -1.13 -0.12 0.00 0.77 0.00 0.00 66.41 65.93 2ouu h THR 739 Cb 0.85 1.80 -0.02 0.00 -1.74 0.00 0.00 68.15 69.05 2ouu h THR 739 CO 0.05 0.33 -0.14 0.74 0.37 0.00 0.00 175.52 176.86 2ouu h THR 740 N -0.08 1.27 -0.60 3.16 2.02 -1.11 -2.24 112.91 115.32 2ouu h THR 740 Ca 0.03 -1.31 -0.03 0.00 0.77 0.00 0.00 66.41 65.86 2ouu h THR 740 Cb 0.55 1.01 -0.03 0.00 -1.74 0.00 0.00 68.15 67.94 2ouu h THR 740 CO 0.02 0.46 0.23 0.25 0.37 0.00 0.00 175.52 176.86 2ouu h LEU 741 N 0.91 0.81 -0.80 2.58 5.85 -1.12 -2.04 115.31 121.48 2ouu h LEU 741 Ca 0.13 -0.11 -0.10 0.00 0.84 0.00 0.00 57.88 58.64 2ouu h LEU 741 Cb 0.72 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 2ouu h LEU 741 CO 0.06 0.73 -0.20 0.74 -0.34 0.00 0.00 178.44 179.42 2ouu h THR 742 N 0.87 1.27 -0.54 1.05 2.02 -0.92 0.24 112.91 116.90 2ouu h THR 742 Ca 0.21 -1.27 -0.05 0.00 0.77 0.00 0.00 66.41 66.07 2ouu h THR 742 Cb 0.18 1.21 -0.02 0.00 -1.74 0.00 0.00 68.15 67.78 2ouu h THR 742 CO -0.02 0.42 0.16 1.56 0.37 0.00 0.00 175.52 178.01 2ouu h GLN 743 N 0.60 0.84 -0.01 6.66 4.20 -0.86 -2.47 115.11 124.08 2ouu h GLN 743 Ca 0.09 -0.19 -0.19 0.00 0.06 0.00 0.00 58.65 58.43 2ouu h GLN 743 Cb 0.67 -0.12 0.01 0.00 0.30 0.00 0.00 27.48 28.35 2ouu h GLN 743 CO 0.05 0.78 -0.73 0.82 -0.67 0.00 0.00 178.83 179.07 2ouu h ILE 744 N 0.74 1.38 -3.08 2.54 2.04 -1.15 -3.39 117.51 116.58 2ouu h ILE 744 Ca 0.17 -2.12 -0.62 0.00 1.00 0.00 0.00 64.86 63.29 2ouu h ILE 744 Cb 0.29 2.51 -0.41 0.00 -0.74 0.00 0.00 36.82 38.48 2ouu h ILE 744 CO -0.00 0.63 -0.66 -0.76 0.00 0.00 0.00 178.15 177.36 2ouu s LEU 745 N -8.28 3.92 0.40 1.44 1.43 0.84 -5.00 118.68 113.44 2ouu s LEU 745 Ca -0.12 -3.29 0.21 0.00 -1.03 0.00 0.00 54.13 49.89 2ouu s LEU 745 Cb 0.05 -1.40 1.18 0.00 0.03 0.00 0.00 46.19 46.05 2ouu s LEU 745 CO 0.85 -0.17 1.72 -0.65 0.23 0.00 0.00 176.35 178.33 2ouu h PRO 746 N 6.00 0.30 0.00 1.29 0.11 -1.65 -0.30 132.00 137.75 2ouu h PRO 746 Ca 0.06 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.15 2ouu h PRO 746 Cb 0.84 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.88 2ouu h PRO 746 CO 0.63 0.20 0.00 -2.30 -0.21 0.00 0.00 178.00 176.32 2ouu n PRO 747 N -4.69 0.04 -0.08 1.05 -0.02 -1.26 -1.62 135.00 128.43 2ouu n PRO 747 Ca 0.29 0.50 0.09 0.00 -2.02 0.00 0.00 63.50 62.36 2ouu n PRO 747 Cb 1.03 -1.62 0.36 0.00 -0.02 0.00 0.00 33.50 33.24 2ouu n PRO 747 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2ouu n THR 748 N -1.71 0.21 -0.32 3.45 -2.24 -0.12 -4.36 114.28 109.18 2ouu n THR 748 Ca 0.00 -0.30 0.22 0.00 -2.27 0.00 0.00 64.05 61.70 2ouu n THR 748 Cb 0.04 0.24 0.50 0.00 -2.10 0.00 0.00 70.33 69.01 2ouu n THR 748 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2ouu h GLU 749 N 1.80 0.40 -0.23 -0.78 4.81 -1.49 -0.24 114.58 118.86 2ouu h GLU 749 Ca 0.00 -0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.27 2ouu h GLU 749 Cb 0.40 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 2ouu h GLU 749 CO 0.00 0.27 0.22 -1.35 -0.73 0.00 0.00 179.01 177.41 2ouu h PRO 750 N 0.41 0.00 -0.38 0.92 0.11 -1.86 -0.68 132.00 130.52 2ouu h PRO 750 Ca 0.59 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.64 2ouu h PRO 750 Cb 1.46 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.56 2ouu h PRO 750 CO -0.30 0.00 -0.01 -0.07 -0.21 0.00 0.00 178.00 177.41 2ouu h LEU 751 N 0.00 0.67 -0.51 2.35 3.38 -1.38 -0.90 115.31 118.91 2ouu h LEU 751 Ca 0.11 -0.31 -0.08 0.00 0.09 0.00 0.00 57.88 57.68 2ouu h LEU 751 Cb 0.54 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 2ouu h LEU 751 CO -0.00 0.82 -0.00 0.25 0.09 0.00 0.00 178.44 179.59 2ouu h LEU 752 N 0.50 0.88 -0.40 1.67 5.85 -1.27 -0.54 115.31 122.01 2ouu h LEU 752 Ca 0.11 -0.31 -0.00 0.00 0.84 0.00 0.00 57.88 58.52 2ouu h LEU 752 Cb 0.48 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 2ouu h LEU 752 CO 0.02 0.98 0.24 0.50 -0.34 0.00 0.00 178.44 179.84 2ouu h LYS 753 N 0.77 0.54 -0.48 1.25 3.64 -1.19 -0.28 116.57 120.81 2ouu h LYS 753 Ca 0.14 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.40 2ouu h LYS 753 Cb 0.52 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 2ouu h LYS 753 CO 0.03 0.41 0.02 0.00 -2.27 0.00 0.00 179.45 177.64 2ouu h ALA 754 N 1.10 1.13 -0.22 5.00 0.00 -1.01 -0.62 119.26 124.65 2ouu h ALA 754 Ca 0.14 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2ouu h ALA 754 Cb 0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2ouu h ALA 754 CO -0.03 0.56 0.07 0.00 0.00 0.00 0.00 179.25 179.85 2ouu h ARG 756 N 0.18 1.14 -0.57 0.00 3.08 -0.79 -0.44 114.38 116.99 2ouu h ARG 756 Ca 0.07 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 2ouu h ARG 756 Cb 0.23 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 2ouu h ARG 756 CO -0.00 0.88 0.31 -0.44 -1.07 0.00 0.00 179.97 179.65 2ouu h ASP 757 N 1.13 0.72 -0.07 7.04 3.32 -0.86 -1.20 116.42 126.49 2ouu h ASP 757 Ca 0.27 -0.10 -0.12 0.00 0.02 0.00 0.00 57.03 57.11 2ouu h ASP 757 Cb 0.11 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 2ouu h ASP 757 CO -0.03 0.61 -0.35 0.78 -1.72 0.00 0.00 179.24 178.52 2ouu h ASN 758 N 0.77 0.59 -0.54 6.45 2.35 -0.90 -1.89 115.58 122.40 2ouu h ASN 758 Ca 0.20 -0.24 0.02 0.00 -0.55 0.00 0.00 56.30 55.73 2ouu h ASN 758 Cb 0.05 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.22 2ouu h ASN 758 CO -0.03 0.90 0.33 0.25 -1.65 0.00 0.00 177.43 177.23 2ouu h LEU 759 N 0.48 0.55 -0.94 1.61 6.46 -0.68 0.47 115.31 123.25 2ouu h LEU 759 Ca 0.05 -0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.80 2ouu h LEU 759 Cb 0.84 -0.12 -0.05 0.00 -0.73 0.00 0.00 40.66 40.60 2ouu h LEU 759 CO 0.07 0.39 0.56 -1.28 -0.62 0.00 0.00 178.44 177.56 2ouu h SER 760 N 0.67 1.14 -0.52 1.25 0.87 -0.95 -1.21 113.55 114.80 2ouu h SER 760 Ca 0.21 -0.08 -0.05 0.00 -1.23 0.00 0.00 61.79 60.65 2ouu h SER 760 Cb -0.00 -0.29 -0.02 0.00 -0.44 0.00 0.00 62.40 61.65 2ouu h SER 760 CO -0.08 0.89 0.14 1.56 -0.53 0.00 0.00 176.83 178.81 2ouu h GLN 761 N 1.31 0.82 -0.40 2.24 1.08 -0.48 -1.98 115.11 117.70 2ouu h GLN 761 Ca 0.34 -0.19 -0.05 0.00 -1.45 0.00 0.00 58.65 57.30 2ouu h GLN 761 Cb -0.04 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.26 2ouu h GLN 761 CO -0.06 0.77 0.05 -1.49 -0.95 0.00 0.00 178.83 177.15 2ouu h TRP 762 N 0.72 0.64 -0.66 2.96 4.06 -0.42 -1.61 115.95 121.64 2ouu h TRP 762 Ca 0.17 -0.06 -0.06 0.00 2.06 0.00 0.00 58.89 61.00 2ouu h TRP 762 Cb 0.31 -0.19 -0.03 0.00 -1.00 0.00 0.00 29.16 28.25 2ouu h TRP 762 CO 0.02 0.59 0.19 1.49 -3.56 0.00 0.00 178.44 177.17 2ouu h GLU 763 N 0.60 1.03 -0.47 0.49 4.81 -0.91 -0.73 114.58 119.41 2ouu h GLU 763 Ca 0.13 -0.23 -0.04 0.00 -0.13 0.00 0.00 59.36 59.09 2ouu h GLU 763 Cb 0.31 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 2ouu h GLU 763 CO 0.01 0.91 0.11 0.87 -0.73 0.00 0.00 179.01 180.18 2ouu h LYS 764 N 0.96 0.70 -0.36 1.92 1.79 -0.80 -0.27 116.57 120.51 2ouu h LYS 764 Ca 0.21 -0.13 -0.05 0.00 -2.18 0.00 0.00 60.65 58.50 2ouu h LYS 764 Cb 0.32 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.84 2ouu h LYS 764 CO -0.00 0.64 0.03 0.28 -1.08 0.00 0.00 179.45 179.31 2ouu h VAL 765 N 0.68 1.25 -0.44 0.50 2.07 -0.71 -2.37 116.25 117.23 2ouu h VAL 765 Ca 0.15 -0.92 -0.05 0.00 0.82 0.00 0.00 66.70 66.71 2ouu h VAL 765 Cb 0.26 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 2ouu h VAL 765 CO -0.00 0.31 0.07 0.40 0.02 0.00 0.00 177.57 178.36 2ouu h ILE 766 N 0.44 1.21 -0.08 4.57 2.04 -0.60 -2.31 117.51 122.78 2ouu h ILE 766 Ca 0.11 -0.79 0.00 0.00 1.00 0.00 0.00 64.86 65.17 2ouu h ILE 766 Cb 0.41 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 37.29 2ouu h ILE 766 CO 0.01 0.28 0.00 0.54 0.00 0.00 0.00 178.15 178.99 2ouu n ARG 767 N -4.28 1.38 -0.03 2.37 1.74 -0.16 -5.10 116.66 112.58 2ouu n ARG 767 Ca 0.03 -0.57 0.00 0.00 -0.77 0.00 0.00 57.85 56.53 2ouu n ARG 767 Cb 0.23 -1.36 0.00 0.00 -1.02 0.00 0.00 32.46 30.31 2ouu n ARG 767 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52