#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oup s HIS 447 N 0.00 3.66 -0.13 7.33 5.65 -1.26 -5.06 115.29 125.47 2oup s HIS 447 Ca 0.00 1.28 -0.02 0.00 0.25 0.00 0.00 55.06 56.57 2oup s HIS 447 Cb 0.00 -2.73 -0.02 0.00 -1.18 0.00 0.00 32.58 28.65 2oup s HIS 447 CO 0.00 0.24 -0.08 -1.64 -0.65 0.00 0.00 174.74 172.60 2oup s MET 448 N 0.21 3.43 0.59 2.88 1.00 -1.26 -5.11 119.30 121.04 2oup s MET 448 Ca 0.35 -0.60 -0.16 0.00 0.00 0.00 0.00 55.69 55.28 2oup s MET 448 Cb -0.19 -2.75 -0.04 0.00 0.00 0.00 0.00 34.83 31.86 2oup s MET 448 CO 0.19 0.28 1.07 -1.12 0.00 0.00 0.00 175.02 175.44 2oup s SER 449 N 0.21 5.73 0.21 3.03 0.01 -1.26 -5.07 113.70 116.56 2oup s SER 449 Ca -0.05 1.88 0.07 0.00 1.31 0.00 0.00 55.95 59.15 2oup s SER 449 Cb -0.15 -2.54 -0.05 0.00 0.21 0.00 0.00 66.02 63.50 2oup s SER 449 CO 0.04 -1.20 -0.12 0.27 0.41 0.00 0.00 173.24 172.64 2oup s ILE 450 N -2.35 1.59 0.71 1.44 -4.36 -1.26 -4.79 121.20 112.18 2oup s ILE 450 Ca 0.65 -2.17 -0.10 0.00 -0.26 0.00 0.00 60.65 58.77 2oup s ILE 450 Cb -0.17 -2.09 0.03 0.00 1.25 0.00 0.00 42.46 41.48 2oup s ILE 450 CO 0.35 -0.56 1.07 0.00 0.24 0.00 0.00 174.94 176.05 2oup s THR 452 N -3.33 4.10 0.23 0.00 -4.23 -1.26 -4.97 115.64 106.17 2oup s THR 452 Ca 0.58 -0.39 -0.08 0.00 -1.18 0.00 0.00 61.69 60.62 2oup s THR 452 Cb -0.11 -3.53 0.20 0.00 1.34 0.00 0.00 72.50 70.40 2oup s THR 452 CO 0.50 -0.40 1.90 0.28 -0.54 0.00 0.00 174.62 176.35 2oup h SER 453 N 0.34 0.98 -0.88 3.99 0.02 -2.00 -1.91 113.55 114.09 2oup h SER 453 Ca -0.46 -0.02 0.03 0.00 -0.84 0.00 0.00 61.79 60.50 2oup h SER 453 Cb 1.25 -0.24 -0.05 0.00 0.14 0.00 0.00 62.40 63.50 2oup h SER 453 CO 0.58 0.70 0.57 -0.08 -1.14 0.00 0.00 176.83 177.47 2oup h GLU 454 N 1.15 1.08 0.07 3.45 4.81 -1.98 -0.98 114.58 122.19 2oup h GLU 454 Ca 0.32 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.48 2oup h GLU 454 Cb -0.11 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.03 2oup h GLU 454 CO -0.08 0.72 -0.03 0.93 -0.73 0.00 0.00 179.01 179.82 2oup h GLU 455 N 1.11 -0.09 0.00 1.92 5.08 -1.74 -0.79 114.58 120.08 2oup h GLU 455 Ca 0.35 0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.58 2oup h GLU 455 Cb -0.01 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 2oup h GLU 455 CO -0.11 0.05 -0.63 0.11 -1.00 0.00 0.00 179.01 177.43 2oup h TRP 456 N -0.21 0.00 -0.59 4.33 5.08 -1.41 -2.67 115.95 120.47 2oup h TRP 456 Ca -0.01 0.00 -0.09 0.00 1.08 0.00 0.00 58.89 59.87 2oup h TRP 456 Cb 0.18 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.32 2oup h TRP 456 CO -0.03 0.63 0.02 1.96 -1.28 0.00 0.00 178.44 179.74 2oup h GLN 457 N 0.00 1.02 -0.62 0.12 4.20 -1.10 -1.07 115.11 117.66 2oup h GLN 457 Ca -0.01 -0.30 -0.07 0.00 0.06 0.00 0.00 58.65 58.33 2oup h GLN 457 Cb 1.21 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.86 2oup h GLN 457 CO 0.08 0.98 0.10 0.78 -0.67 0.00 0.00 178.83 180.10 2oup h GLY 458 N 1.01 1.09 1.12 3.46 0.00 -1.00 -2.70 103.07 106.05 2oup h GLY 458 Ca 0.17 -0.71 -0.10 0.00 0.00 0.00 0.00 47.33 46.70 2oup h GLY 458 CO 0.02 0.66 -0.01 -2.00 0.00 0.00 0.00 176.54 175.21 2oup h LEU 459 N 0.95 1.03 -1.82 3.11 5.85 -1.14 -2.69 115.31 120.60 2oup h LEU 459 Ca 0.19 -0.30 0.02 0.00 0.84 0.00 0.00 57.88 58.64 2oup h LEU 459 Cb 0.42 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 2oup h LEU 459 CO 0.01 1.09 0.17 0.24 -0.34 0.00 0.00 178.44 179.60 2oup h MET 460 N 0.96 0.23 -0.00 1.25 2.86 -0.90 -2.16 114.93 117.16 2oup h MET 460 Ca 0.17 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 2oup h MET 460 Cb 0.57 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.18 2oup h MET 460 CO 0.03 0.15 -0.23 1.04 1.06 0.00 0.00 176.91 178.97 2oup n GLN 461 N -4.50 0.44 -2.45 1.72 6.02 -1.03 -4.92 117.38 112.66 2oup n GLN 461 Ca 0.01 -0.19 -0.40 0.00 -0.01 0.00 0.00 57.00 56.42 2oup n GLN 461 Cb 0.15 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 29.88 2oup n GLN 461 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 2oup s PHE 462 N -2.70 3.47 -0.07 1.08 5.36 -0.82 -5.05 117.98 119.25 2oup s PHE 462 Ca 0.21 1.67 0.01 0.00 -0.96 0.00 0.00 56.93 57.86 2oup s PHE 462 Cb 0.19 -3.29 0.02 0.00 -0.34 0.00 0.00 43.02 39.60 2oup s PHE 462 CO 0.55 -0.69 -0.09 0.99 -1.46 0.00 0.00 175.22 174.51 2oup s THR 463 N -1.25 0.97 0.26 0.12 2.01 -1.26 -5.07 115.64 111.41 2oup s THR 463 Ca 0.48 -0.36 -0.30 0.00 0.31 0.00 0.00 61.69 61.82 2oup s THR 463 Cb -0.31 -0.92 -0.11 0.00 0.01 0.00 0.00 72.50 71.18 2oup s THR 463 CO 0.40 0.32 1.52 -0.22 -0.69 0.00 0.00 174.62 175.95 2oup s LEU 464 N 0.90 4.37 0.28 4.42 2.96 -1.26 -4.91 118.68 125.44 2oup s LEU 464 Ca -0.10 2.77 -0.30 0.00 -0.22 0.00 0.00 54.13 56.27 2oup s LEU 464 Cb -0.15 -3.62 -0.12 0.00 0.50 0.00 0.00 46.19 42.80 2oup s LEU 464 CO 0.01 -0.80 1.60 -2.65 -1.32 0.00 0.00 176.35 173.19 2oup n PRO 465 N 2.48 2.68 -0.21 0.98 -0.02 -1.26 -4.87 135.00 134.79 2oup n PRO 465 Ca 0.08 0.96 0.17 0.00 -2.02 0.00 0.00 63.50 62.69 2oup n PRO 465 Cb 0.39 -2.74 0.51 0.00 -0.02 0.00 0.00 33.50 31.64 2oup n PRO 465 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 2oup h VAL 466 N 3.38 0.73 0.00 -1.45 3.04 -2.03 -0.77 116.25 119.15 2oup h VAL 466 Ca -0.47 -0.14 -0.00 0.00 -1.01 0.00 0.00 66.70 65.08 2oup h VAL 466 Cb 1.22 0.28 -0.00 0.00 -2.01 0.00 0.00 31.29 30.79 2oup h VAL 466 CO 0.81 0.08 -0.00 0.08 -1.01 0.00 0.00 177.57 177.52 2oup h ARG 467 N 0.41 0.00 -0.01 4.17 0.11 -2.03 -1.52 114.38 115.51 2oup h ARG 467 Ca 0.42 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.50 2oup h ARG 467 Cb 1.02 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.10 2oup h ARG 467 CO -0.15 0.00 -0.27 1.28 0.10 0.00 0.00 179.97 180.93 2oup n LEU 468 N -3.09 1.09 0.03 0.08 4.77 -0.30 -4.21 117.00 115.36 2oup n LEU 468 Ca -0.02 -0.30 0.01 0.00 -0.03 0.00 0.00 56.01 55.67 2oup n LEU 468 Cb 0.12 -0.11 0.33 0.00 -2.33 0.00 0.00 43.42 41.43 2oup n LEU 468 CO 0.22 0.20 0.96 0.00 -1.33 0.00 0.00 177.39 177.44 2oup h LYS 470 N 0.45 0.39 -0.54 0.00 3.64 -1.77 -3.37 116.57 115.37 2oup h LYS 470 Ca 0.10 -0.67 -0.00 0.00 -1.27 0.00 0.00 60.65 58.81 2oup h LYS 470 Cb 0.29 0.25 -0.03 0.00 -0.41 0.00 0.00 32.23 32.33 2oup h LYS 470 CO 0.01 1.32 0.33 0.93 -2.27 0.00 0.00 179.45 179.76 2oup h GLU 471 N -0.09 0.73 0.00 1.90 4.39 -1.69 -2.96 114.58 116.85 2oup h GLU 471 Ca -0.25 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.38 2oup h GLU 471 Cb 1.93 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 30.43 2oup h GLU 471 CO 0.18 0.52 -0.00 0.97 -1.16 0.00 0.00 179.01 179.52 2oup h ILE 472 N 0.72 0.04 0.00 3.13 2.10 -1.23 -1.59 117.51 120.68 2oup h ILE 472 Ca 0.19 -0.11 0.00 0.00 1.08 0.00 0.00 64.86 66.02 2oup h ILE 472 Cb -0.02 1.11 0.00 0.00 -1.09 0.00 0.00 36.82 36.81 2oup h ILE 472 CO -0.04 0.00 0.00 -0.33 -1.08 0.00 0.00 178.15 176.71 2oup h GLU 473 N 0.00 0.00 -6.84 2.19 4.39 -1.69 -3.46 114.58 109.16 2oup h GLU 473 Ca -0.00 0.00 -0.49 0.00 0.34 0.00 0.00 59.36 59.21 2oup h GLU 473 Cb 0.11 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.76 2oup h GLU 473 CO 0.00 0.00 0.42 -0.51 -1.16 0.00 0.00 179.01 177.76 2oup s LEU 474 N -5.29 4.44 0.33 1.33 1.43 -0.60 -4.87 118.68 115.45 2oup s LEU 474 Ca 0.08 2.10 0.02 0.00 -1.03 0.00 0.00 54.13 55.30 2oup s LEU 474 Cb 0.09 -3.81 0.57 0.00 0.03 0.00 0.00 46.19 43.07 2oup s LEU 474 CO 0.61 -0.16 1.94 -0.26 0.23 0.00 0.00 176.35 178.71 2oup h PHE 475 N 3.48 0.78 -0.11 0.29 -1.00 -1.88 -2.39 116.94 116.11 2oup h PHE 475 Ca -0.47 -0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.29 2oup h PHE 475 Cb 1.21 -0.25 0.00 0.00 3.61 0.00 0.00 35.95 40.52 2oup h PHE 475 CO 0.59 0.57 0.00 -2.39 -1.61 0.00 0.00 178.31 175.47 2oup n HIS 476 N -4.37 0.14 -1.65 -0.55 1.44 -1.26 -4.91 115.22 104.05 2oup n HIS 476 Ca 0.05 -0.07 -0.45 0.00 -2.01 0.00 0.00 57.72 55.24 2oup n HIS 476 Cb 0.12 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.21 2oup n HIS 476 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 2oup n PHE 477 N -0.21 1.95 -3.93 -1.40 7.35 -0.90 -4.44 117.46 115.87 2oup n PHE 477 Ca 0.08 0.54 -0.35 0.00 -0.76 0.00 0.00 57.45 56.96 2oup n PHE 477 Cb 0.13 -2.39 -0.14 0.00 0.35 0.00 0.00 39.48 37.43 2oup n PHE 477 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2oup s ASP 478 N -0.05 4.36 0.02 -2.13 3.68 -1.26 -4.98 116.67 116.31 2oup s ASP 478 Ca 0.64 -0.75 0.26 0.00 2.13 0.00 0.00 52.55 54.83 2oup s ASP 478 Cb -0.66 -1.70 1.08 0.00 -1.45 0.00 0.00 42.92 40.20 2oup s ASP 478 CO 0.55 -0.11 1.82 2.30 0.13 0.00 0.00 175.17 179.86 2oup n ILE 479 N 4.72 0.25 -0.34 4.11 -5.35 -1.26 -4.41 119.36 117.08 2oup n ILE 479 Ca -0.17 0.04 0.02 0.00 -0.27 0.00 0.00 62.75 62.37 2oup n ILE 479 Cb 0.48 -0.62 0.07 0.00 -1.74 0.00 0.00 39.64 37.83 2oup n ILE 479 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2oup n GLY 480 N 1.15 -1.72 0.00 3.28 0.00 -1.26 -1.03 105.19 105.62 2oup n GLY 480 Ca 0.06 0.99 0.10 0.00 0.00 0.00 0.00 46.02 47.17 2oup n GLY 480 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2oup n PRO 481 N -5.37 0.59 -2.48 1.61 -0.02 -1.26 -4.06 135.00 124.01 2oup n PRO 481 Ca 0.11 0.01 -0.23 0.00 -2.02 0.00 0.00 63.50 61.38 2oup n PRO 481 Cb 0.39 -1.50 0.01 0.00 -0.02 0.00 0.00 33.50 32.38 2oup n PRO 481 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2oup n PHE 482 N -1.04 2.90 -0.23 6.00 3.01 -0.20 -4.92 117.46 122.98 2oup n PHE 482 Ca 0.15 -2.95 0.03 0.00 1.01 0.00 0.00 57.45 55.69 2oup n PHE 482 Cb 0.08 -0.16 0.14 0.00 -0.01 0.00 0.00 39.48 39.53 2oup n PHE 482 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 2oup h GLU 483 N 2.62 0.17 0.00 -1.08 4.81 -1.74 0.25 114.58 119.61 2oup h GLU 483 Ca 0.23 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 2oup h GLU 483 Cb 1.03 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.38 2oup h GLU 483 CO 0.76 0.11 0.00 0.09 -0.73 0.00 0.00 179.01 179.24 2oup n ASN 484 N -5.24 0.32 -0.41 1.04 3.02 -1.26 -2.16 115.26 110.56 2oup n ASN 484 Ca 0.11 0.59 0.11 0.00 -0.03 0.00 0.00 54.58 55.37 2oup n ASN 484 Cb 0.41 -0.65 0.07 0.00 -0.61 0.00 0.00 39.78 39.00 2oup n ASN 484 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 2oup n MET 485 N -1.87 1.06 -0.15 3.52 2.81 0.85 -4.64 117.12 118.71 2oup n MET 485 Ca 0.02 -0.83 -0.03 0.00 -1.81 0.00 0.00 57.70 55.05 2oup n MET 485 Cb 0.15 -1.48 0.05 0.00 -0.71 0.00 0.00 33.22 31.23 2oup n MET 485 CO 0.00 0.00 0.00 -1.49 1.51 0.00 0.00 175.97 175.99 2oup h TRP 486 N 2.02 0.11 -0.78 2.03 6.55 -1.20 0.22 115.95 124.91 2oup h TRP 486 Ca 0.00 0.03 -0.05 0.00 0.95 0.00 0.00 58.89 59.82 2oup h TRP 486 Cb 0.69 0.02 -0.03 0.00 -0.86 0.00 0.00 29.16 28.97 2oup h TRP 486 CO 0.00 -0.02 0.29 -1.35 -1.05 0.00 0.00 178.44 176.31 2oup h PRO 487 N 0.20 1.17 -0.10 0.49 0.11 -1.83 -2.11 132.00 129.93 2oup h PRO 487 Ca 0.23 -0.22 -0.08 0.00 0.11 0.00 0.00 66.00 66.04 2oup h PRO 487 Cb 0.31 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.22 2oup h PRO 487 CO -0.32 0.96 -0.28 0.78 -0.21 0.00 0.00 178.00 178.93 2oup h GLY 488 N 1.15 0.20 1.15 -0.55 0.00 -1.65 -1.61 103.07 101.75 2oup h GLY 488 Ca 0.26 -0.15 -0.10 0.00 0.00 0.00 0.00 47.33 47.34 2oup h GLY 488 CO -0.02 0.14 -0.02 -2.22 0.00 0.00 0.00 176.54 174.43 2oup h ILE 489 N 0.17 1.26 -0.33 2.60 2.04 -0.16 -1.07 117.51 122.02 2oup h ILE 489 Ca 0.02 -1.15 -0.08 0.00 1.00 0.00 0.00 64.86 64.65 2oup h ILE 489 Cb 0.59 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 2oup h ILE 489 CO 0.04 0.41 -0.11 0.15 0.00 0.00 0.00 178.15 178.65 2oup h PHE 490 N 0.93 0.74 -0.84 1.37 3.57 -0.84 -1.66 116.94 120.21 2oup h PHE 490 Ca 0.16 -0.17 0.02 0.00 3.53 0.00 0.00 57.97 61.51 2oup h PHE 490 Cb 0.56 -0.18 -0.05 0.00 2.79 0.00 0.00 35.95 39.08 2oup h PHE 490 CO 0.04 0.84 0.55 0.28 -2.23 0.00 0.00 178.31 177.79 2oup h VAL 491 N 0.43 1.18 -0.45 1.41 2.07 -1.16 -1.37 116.25 118.37 2oup h VAL 491 Ca 0.08 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.22 2oup h VAL 491 Cb 0.62 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 2oup h VAL 491 CO 0.04 0.20 0.28 0.22 0.02 0.00 0.00 177.57 178.33 2oup h TYR 492 N 1.10 0.57 -0.52 1.57 3.20 -0.93 -0.98 116.97 120.98 2oup h TYR 492 Ca 0.32 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 62.11 2oup h TYR 492 Cb -0.07 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 37.99 2oup h TYR 492 CO -0.02 0.38 -0.02 0.52 -1.64 0.00 0.00 178.16 177.38 2oup h MET 493 N 0.60 0.90 -0.49 1.82 2.86 -0.94 -0.76 114.93 118.92 2oup h MET 493 Ca 0.16 -0.27 -0.03 0.00 -2.06 0.00 0.00 59.70 57.50 2oup h MET 493 Cb -0.04 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.51 2oup h MET 493 CO -0.03 0.91 0.19 0.28 1.06 0.00 0.00 176.91 179.31 2oup h VAL 494 N 0.83 1.21 -0.76 -2.22 2.07 -0.90 -1.03 116.25 115.45 2oup h VAL 494 Ca 0.15 -0.67 -0.06 0.00 0.82 0.00 0.00 66.70 66.95 2oup h VAL 494 Cb 0.52 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 2oup h VAL 494 CO 0.03 0.25 0.26 0.45 0.02 0.00 0.00 177.57 178.58 2oup h HIS 495 N 0.66 1.21 -0.00 1.57 -0.00 -0.82 0.38 115.15 118.15 2oup h HIS 495 Ca 0.16 -0.11 -0.17 0.00 -0.00 0.00 0.00 60.37 60.25 2oup h HIS 495 Cb 0.21 -0.35 -0.02 0.00 -0.00 0.00 0.00 27.41 27.24 2oup h HIS 495 CO 0.01 0.94 -0.79 0.00 -0.00 0.00 0.00 177.93 178.08 2oup h ARG 496 N 1.13 0.04 0.12 2.45 2.47 -0.99 0.22 114.38 119.81 2oup h ARG 496 Ca 0.25 -0.04 -0.34 0.00 -1.26 0.00 0.00 59.98 58.60 2oup h ARG 496 Cb 0.28 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.60 2oup h ARG 496 CO -0.01 0.80 -1.79 1.03 0.56 0.00 0.00 179.97 180.56 2oup h SER 497 N 0.02 0.39 0.00 7.04 0.87 -1.06 -3.41 113.55 117.41 2oup h SER 497 Ca -0.01 -0.88 0.00 0.00 -1.23 0.00 0.00 61.79 59.66 2oup h SER 497 Cb 1.39 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 63.22 2oup h SER 497 CO 0.11 1.77 -1.76 0.00 -0.53 0.00 0.00 176.83 176.42 2oup n GLY 499 N 1.45 2.19 0.05 0.00 0.00 0.06 -4.41 105.19 104.54 2oup n GLY 499 Ca -0.03 -1.94 0.14 0.00 0.00 0.00 0.00 46.02 44.19 2oup n GLY 499 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2oup n THR 500 N 1.48 0.00 0.57 2.61 -2.24 -1.26 -3.60 114.28 111.85 2oup n THR 500 Ca 0.00 -0.03 0.10 0.00 -2.27 0.00 0.00 64.05 61.85 2oup n THR 500 Cb 0.00 -0.16 -0.13 0.00 -2.10 0.00 0.00 70.33 67.94 2oup n THR 500 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2oup n SER 501 N -1.25 0.68 -0.20 3.42 3.41 -1.26 -4.51 113.62 113.91 2oup n SER 501 Ca 0.10 -0.59 0.00 0.00 -0.26 0.00 0.00 58.87 58.12 2oup n SER 501 Cb 0.31 1.37 0.11 0.00 -0.26 0.00 0.00 64.21 65.73 2oup n SER 501 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2oup s PHE 503 N -6.10 1.91 -0.05 0.00 0.08 -1.26 -5.04 117.98 107.51 2oup s PHE 503 Ca -0.13 -0.41 -0.30 0.00 0.12 0.00 0.00 56.93 56.21 2oup s PHE 503 Cb 0.17 -1.04 -0.04 0.00 -0.57 0.00 0.00 43.02 41.54 2oup s PHE 503 CO 0.74 0.23 1.37 -1.21 -0.10 0.00 0.00 175.22 176.25 2oup s GLU 504 N -1.94 4.27 0.19 0.44 2.02 -1.26 -4.91 118.70 117.52 2oup s GLU 504 Ca 0.08 1.88 -0.16 0.00 0.02 0.00 0.00 54.97 56.79 2oup s GLU 504 Cb -0.10 -3.66 0.17 0.00 0.10 0.00 0.00 34.13 30.64 2oup s GLU 504 CO 0.05 -0.61 1.64 1.25 0.02 0.00 0.00 175.26 177.60 2oup h LEU 505 N 8.86 -0.55 -0.52 1.80 5.85 -1.97 -1.00 115.31 127.79 2oup h LEU 505 Ca -0.35 0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.57 2oup h LEU 505 Cb 1.16 0.35 -0.04 0.00 0.37 0.00 0.00 40.66 42.50 2oup h LEU 505 CO 0.92 -0.19 0.29 -0.08 -0.34 0.00 0.00 178.44 179.04 2oup h GLU 506 N -0.02 0.55 -0.65 1.25 4.81 -1.98 -0.61 114.58 117.93 2oup h GLU 506 Ca 0.25 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.39 2oup h GLU 506 Cb 0.41 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.64 2oup h GLU 506 CO -0.55 0.36 0.16 0.87 -0.73 0.00 0.00 179.01 179.12 2oup h LYS 507 N 0.56 1.04 -0.40 1.92 1.57 -1.66 -0.90 116.57 118.69 2oup h LYS 507 Ca 0.22 -0.25 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 2oup h LYS 507 Cb 0.08 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 2oup h LYS 507 CO -0.13 0.94 0.14 1.25 -0.57 0.00 0.00 179.45 181.08 2oup h LEU 508 N 0.97 0.57 -0.79 2.94 5.85 -0.82 0.14 115.31 124.17 2oup h LEU 508 Ca 0.21 -0.19 -0.09 0.00 0.84 0.00 0.00 57.88 58.65 2oup h LEU 508 Cb 0.36 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 2oup h LEU 508 CO 0.00 0.61 -0.08 0.00 -0.34 0.00 0.00 178.44 178.63 2oup h ARG 510 N 0.75 0.56 -0.25 0.00 2.43 -0.91 -2.09 114.38 114.87 2oup h ARG 510 Ca 0.13 -0.16 0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2oup h ARG 510 Cb 0.57 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.04 2oup h ARG 510 CO 0.03 0.65 0.14 0.35 -1.51 0.00 0.00 179.97 179.63 2oup h PHE 511 N 0.38 0.26 -0.36 2.20 3.57 -0.43 -1.62 116.94 120.94 2oup h PHE 511 Ca 0.10 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 2oup h PHE 511 Cb 0.37 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 2oup h PHE 511 CO 0.03 0.15 0.22 0.82 -2.23 0.00 0.00 178.31 177.30 2oup h ILE 512 N 0.29 1.11 0.00 1.41 2.04 -1.07 -0.23 117.51 121.06 2oup h ILE 512 Ca 0.10 -0.26 -0.08 0.00 1.00 0.00 0.00 64.86 65.62 2oup h ILE 512 Cb 0.00 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 2oup h ILE 512 CO -0.05 0.11 -0.37 0.24 0.00 0.00 0.00 178.15 178.08 2oup h MET 513 N 0.47 0.00 0.00 2.37 2.86 -1.27 -2.14 114.93 117.22 2oup h MET 513 Ca 0.13 0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 57.51 2oup h MET 513 Cb -0.01 0.00 0.02 0.00 0.06 0.00 0.00 31.60 31.67 2oup h MET 513 CO -0.02 0.37 -1.02 0.77 1.06 0.00 0.00 176.91 178.07 2oup h SER 514 N 0.00 0.80 -0.62 1.22 0.02 -0.96 -3.01 113.55 111.00 2oup h SER 514 Ca -0.00 -0.65 0.03 0.00 -0.84 0.00 0.00 61.79 60.33 2oup h SER 514 Cb 0.76 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 63.02 2oup h SER 514 CO 0.05 1.45 0.38 0.58 -1.14 0.00 0.00 176.83 178.14 2oup h VAL 515 N 0.35 1.06 -0.85 2.27 2.07 -0.79 -1.96 116.25 118.39 2oup h VAL 515 Ca -0.12 -0.25 0.08 0.00 0.82 0.00 0.00 66.70 67.23 2oup h VAL 515 Cb 1.67 0.26 -0.06 0.00 -1.52 0.00 0.00 31.29 31.64 2oup h VAL 515 CO 0.19 0.13 0.55 0.50 0.02 0.00 0.00 177.57 178.97 2oup h LYS 516 N 0.74 0.87 0.00 1.57 3.64 -1.37 0.27 116.57 122.29 2oup h LYS 516 Ca 0.25 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 2oup h LYS 516 Cb 0.04 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.67 2oup h LYS 516 CO -0.11 0.58 0.00 1.63 -2.27 0.00 0.00 179.45 179.27 2oup n LYS 517 N -4.50 0.34 -0.29 1.90 5.02 -0.75 -2.44 118.16 117.44 2oup n LYS 517 Ca 0.13 0.07 0.07 0.00 -2.02 0.00 0.00 58.31 56.56 2oup n LYS 517 Cb 0.25 -1.50 0.20 0.00 -0.02 0.00 0.00 35.03 33.96 2oup n LYS 517 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2oup n ASN 518 N -1.27 3.33 -4.79 4.39 3.02 0.08 -4.80 115.26 115.22 2oup n ASN 518 Ca 0.11 -2.47 -0.34 0.00 -0.03 0.00 0.00 54.58 51.85 2oup n ASN 518 Cb 0.17 -0.37 -0.07 0.00 -0.61 0.00 0.00 39.78 38.90 2oup n ASN 518 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2oup s TYR 519 N -1.84 3.34 0.36 3.10 1.51 -1.02 -1.66 117.35 121.14 2oup s TYR 519 Ca 0.31 0.29 0.05 0.00 -1.01 0.00 0.00 57.07 56.71 2oup s TYR 519 Cb 0.22 -1.80 -0.01 0.00 -0.11 0.00 0.00 41.96 40.26 2oup s TYR 519 CO 0.12 0.58 0.51 1.03 -1.11 0.00 0.00 175.55 176.68 2oup s ARG 520 N -1.36 3.11 -1.39 -0.62 0.52 -1.26 -4.90 118.95 113.05 2oup s ARG 520 Ca 0.19 -0.90 -0.12 0.00 -0.52 0.00 0.00 55.73 54.37 2oup s ARG 520 Cb -0.12 -2.77 0.09 0.00 0.52 0.00 0.00 34.95 32.67 2oup s ARG 520 CO 0.09 0.00 2.09 0.54 0.02 0.00 0.00 175.30 178.04 2oup n ARG 521 N -1.72 3.16 -4.04 3.54 1.74 -1.26 -4.55 116.66 113.52 2oup n ARG 521 Ca -0.00 -2.97 -0.22 0.00 -0.77 0.00 0.00 57.85 53.90 2oup n ARG 521 Cb 0.58 -3.15 -0.04 0.00 -1.02 0.00 0.00 32.46 28.84 2oup n ARG 521 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2oup s VAL 522 N 2.09 4.55 0.33 1.55 -7.23 -1.26 -5.04 120.40 115.38 2oup s VAL 522 Ca 0.44 -1.30 0.03 0.00 -1.81 0.00 0.00 61.98 59.35 2oup s VAL 522 Cb 0.12 -3.49 0.29 0.00 0.56 0.00 0.00 36.38 33.86 2oup s VAL 522 CO -0.05 -0.33 1.94 -0.65 -0.31 0.00 0.00 175.10 175.70 2oup h PRO 523 N 1.38 0.86 0.00 4.82 0.11 -1.96 -3.42 132.00 133.79 2oup h PRO 523 Ca -0.49 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.57 2oup h PRO 523 Cb 1.24 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.15 2oup h PRO 523 CO 0.60 0.57 -0.63 0.98 -0.21 0.00 0.00 178.00 179.31 2oup n TYR 524 N -4.48 0.00 -1.69 0.65 9.36 -1.26 -4.88 117.16 114.85 2oup n TYR 524 Ca 0.12 0.00 -0.40 0.00 3.32 0.00 0.00 57.90 60.94 2oup n TYR 524 Cb 0.21 0.18 -0.01 0.00 -0.63 0.00 0.00 39.34 39.08 2oup n TYR 524 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 2oup n HIS 525 N -2.78 2.65 -4.15 2.98 -0.00 -1.26 -4.42 115.22 108.23 2oup n HIS 525 Ca 0.00 -2.96 -0.16 0.00 -0.00 0.00 0.00 57.72 54.60 2oup n HIS 525 Cb 0.31 -2.22 -0.02 0.00 -0.00 0.00 0.00 29.99 28.06 2oup n HIS 525 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.34 176.61 2oup n ASN 526 N 3.22 2.46 -0.29 0.41 0.23 -1.26 -4.62 115.26 115.40 2oup n ASN 526 Ca 0.67 -2.13 0.03 0.00 -0.53 0.00 0.00 54.58 52.61 2oup n ASN 526 Cb 0.27 0.11 0.16 0.00 -2.08 0.00 0.00 39.78 38.24 2oup n ASN 526 CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 2oup h TRP 527 N 0.94 0.86 -0.62 -2.53 2.91 -1.90 -1.69 115.95 113.93 2oup h TRP 527 Ca -0.21 0.03 0.02 0.00 1.13 0.00 0.00 58.89 59.86 2oup h TRP 527 Cb 0.68 -0.27 -0.04 0.00 -0.51 0.00 0.00 29.16 29.03 2oup h TRP 527 CO 0.00 0.36 0.38 -0.22 -1.03 0.00 0.00 178.44 177.94 2oup h LYS 528 N 0.81 0.74 -0.70 2.65 3.64 -1.96 -2.04 116.57 119.71 2oup h LYS 528 Ca 0.39 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.71 2oup h LYS 528 Cb 0.34 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.96 2oup h LYS 528 CO -0.24 0.49 0.37 1.25 -2.27 0.00 0.00 179.45 179.05 2oup h HIS 529 N 0.76 0.97 -0.47 1.91 2.76 -1.55 -1.39 115.15 118.13 2oup h HIS 529 Ca 0.25 -0.03 0.03 0.00 -2.20 0.00 0.00 60.37 58.42 2oup h HIS 529 Cb 0.00 -0.31 -0.04 0.00 1.55 0.00 0.00 27.41 28.62 2oup h HIS 529 CO -0.05 0.70 0.25 0.00 -1.30 0.00 0.00 177.93 177.53 2oup h ALA 530 N 1.18 0.60 -0.09 5.26 0.00 -0.77 -0.04 119.26 125.39 2oup h ALA 530 Ca 0.24 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 55.01 2oup h ALA 530 Cb 0.06 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2oup h ALA 530 CO -0.04 -0.08 -0.60 0.28 0.00 0.00 0.00 179.25 178.80 2oup h VAL 531 N 0.50 1.37 -0.51 0.00 2.07 -1.21 -1.69 116.25 116.79 2oup h VAL 531 Ca 0.20 -1.96 -0.01 0.00 0.82 0.00 0.00 66.70 65.75 2oup h VAL 531 Cb 0.08 1.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 2oup h VAL 531 CO -0.12 0.58 0.26 0.74 0.02 0.00 0.00 177.57 179.05 2oup h THR 532 N 0.24 1.19 -0.45 2.57 2.02 -0.75 -0.29 112.91 117.43 2oup h THR 532 Ca -0.01 -0.50 -0.03 0.00 0.77 0.00 0.00 66.41 66.64 2oup h THR 532 Cb 1.12 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 68.10 2oup h THR 532 CO 0.10 0.20 0.16 0.58 0.37 0.00 0.00 175.52 176.93 2oup h VAL 533 N 0.67 1.21 -0.83 3.16 2.07 -0.89 -2.52 116.25 119.13 2oup h VAL 533 Ca 0.18 -0.69 -0.00 0.00 0.82 0.00 0.00 66.70 67.00 2oup h VAL 533 Cb 0.09 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.63 2oup h VAL 533 CO -0.02 0.25 0.50 0.00 0.02 0.00 0.00 177.57 178.32 2oup h ALA 534 N 1.01 1.33 -0.58 1.67 0.00 -1.01 -2.05 119.26 119.63 2oup h ALA 534 Ca 0.15 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 2oup h ALA 534 Cb 0.23 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2oup h ALA 534 CO -0.01 0.58 0.01 1.25 0.00 0.00 0.00 179.25 181.09 2oup h HIS 535 N 1.14 1.07 -0.69 0.00 6.17 -0.78 -0.25 115.15 121.81 2oup h HIS 535 Ca 0.30 -0.17 -0.07 0.00 0.71 0.00 0.00 60.37 61.14 2oup h HIS 535 Cb -0.05 -0.29 -0.03 0.00 2.52 0.00 0.00 27.41 29.56 2oup h HIS 535 CO 0.00 0.95 0.17 0.00 0.71 0.00 0.00 177.93 179.76 2oup h MET 537 N 1.03 1.07 -0.45 0.00 -1.53 -1.00 -0.62 114.93 113.43 2oup h MET 537 Ca 0.22 -0.10 0.03 0.00 -3.44 0.00 0.00 59.70 56.41 2oup h MET 537 Cb 0.37 -0.22 -0.04 0.00 -0.55 0.00 0.00 31.60 31.16 2oup h MET 537 CO 0.00 0.75 0.23 -0.92 0.14 0.00 0.00 176.91 177.12 2oup h TYR 538 N 1.08 0.43 -0.65 1.39 3.20 -0.21 0.10 116.97 122.31 2oup h TYR 538 Ca 0.28 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.12 2oup h TYR 538 Cb -0.04 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.07 2oup h TYR 538 CO -0.01 0.23 0.19 0.00 -1.64 0.00 0.00 178.16 176.94 2oup h ALA 539 N 1.23 1.12 -0.25 1.82 0.00 -0.46 0.25 119.26 122.97 2oup h ALA 539 Ca 0.19 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2oup h ALA 539 Cb 0.08 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2oup h ALA 539 CO -0.12 0.60 0.00 0.82 0.00 0.00 0.00 179.25 180.55 2oup h ILE 540 N 0.96 1.25 -0.40 0.00 2.04 -0.51 -2.28 117.51 118.58 2oup h ILE 540 Ca 0.21 -0.90 -0.01 0.00 1.00 0.00 0.00 64.86 65.17 2oup h ILE 540 Cb 0.28 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 2oup h ILE 540 CO -0.01 0.28 0.22 -0.07 0.00 0.00 0.00 178.15 178.58 2oup h LEU 541 N 0.22 0.49 -1.48 1.44 3.38 -0.55 -2.36 115.31 116.44 2oup h LEU 541 Ca 0.07 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 2oup h LEU 541 Cb 0.41 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2oup h LEU 541 CO 0.01 0.43 -0.22 1.56 0.09 0.00 0.00 178.44 180.32 2oup h GLN 542 N 0.51 0.06 -0.01 1.13 1.08 -0.93 0.61 115.11 117.57 2oup h GLN 542 Ca 0.14 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.32 2oup h GLN 542 Cb 0.04 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.47 2oup h GLN 542 CO -0.02 0.28 -0.13 0.09 -0.95 0.00 0.00 178.83 178.10 2oup n ASN 543 N -4.26 0.80 -1.33 1.46 3.02 -0.86 -4.00 115.26 110.09 2oup n ASN 543 Ca -0.02 -0.87 0.02 0.00 -0.03 0.00 0.00 54.58 53.68 2oup n ASN 543 Cb 0.29 0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.47 2oup n ASN 543 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2oup n ASN 544 N -0.66 0.53 0.06 6.41 3.02 -0.78 -4.79 115.26 119.05 2oup n ASN 544 Ca 0.15 -1.99 0.12 0.00 -0.03 0.00 0.00 54.58 52.83 2oup n ASN 544 Cb 0.30 -0.17 0.58 0.00 -0.61 0.00 0.00 39.78 39.89 2oup n ASN 544 CO 0.00 0.00 0.00 1.12 -2.62 0.00 0.00 177.26 175.76 2oup h HIS 545 N 0.73 0.19 0.00 3.10 2.07 0.06 -1.80 115.15 119.51 2oup h HIS 545 Ca -0.28 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.24 2oup h HIS 545 Cb 1.76 -0.06 0.00 0.00 2.57 0.00 0.00 27.41 31.68 2oup h HIS 545 CO 0.10 0.10 0.00 0.25 -3.07 0.00 0.00 177.93 175.31 2oup n THR 546 N -4.47 0.86 0.08 6.12 -2.24 -1.26 -2.64 114.28 110.73 2oup n THR 546 Ca 0.05 0.33 0.01 0.00 -2.27 0.00 0.00 64.05 62.16 2oup n THR 546 Cb 0.30 -1.28 -0.04 0.00 -2.10 0.00 0.00 70.33 67.21 2oup n THR 546 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2oup h LEU 547 N 0.00 0.00 -9.41 3.22 5.85 -1.70 -3.47 115.31 109.80 2oup h LEU 547 Ca 0.00 0.00 -0.66 0.00 0.84 0.00 0.00 57.88 58.06 2oup h LEU 547 Cb 0.30 0.00 -0.13 0.00 0.37 0.00 0.00 40.66 41.20 2oup h LEU 547 CO 0.00 0.58 -0.62 -0.36 -0.34 0.00 0.00 178.44 177.69 2oup s PHE 548 N -2.92 3.14 0.68 1.25 0.40 -1.08 -5.11 117.98 114.34 2oup s PHE 548 Ca 0.01 0.13 -0.11 0.00 -0.60 0.00 0.00 56.93 56.35 2oup s PHE 548 Cb 0.08 -1.70 -0.00 0.00 0.51 0.00 0.00 43.02 41.91 2oup s PHE 548 CO 0.78 0.49 1.06 0.95 0.70 0.00 0.00 175.22 179.20 2oup s THR 549 N -1.09 4.11 0.23 0.64 -4.23 -1.26 -4.86 115.64 109.17 2oup s THR 549 Ca 0.20 0.68 -0.07 0.00 -1.18 0.00 0.00 61.69 61.32 2oup s THR 549 Cb -0.12 -3.55 0.20 0.00 1.34 0.00 0.00 72.50 70.37 2oup s THR 549 CO 0.10 -0.89 1.85 0.44 -0.54 0.00 0.00 174.62 175.58 2oup h ASP 550 N -0.60 0.80 -0.43 3.99 3.32 -1.99 -1.01 116.42 120.51 2oup h ASP 550 Ca -0.44 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 56.58 2oup h ASP 550 Cb 1.21 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.59 2oup h ASP 550 CO 0.60 0.52 0.14 -0.07 -1.72 0.00 0.00 179.24 178.71 2oup h LEU 551 N 0.94 0.66 -0.37 1.55 3.38 -2.00 -2.28 115.31 117.20 2oup h LEU 551 Ca 0.35 -0.10 -0.14 0.00 0.09 0.00 0.00 57.88 58.08 2oup h LEU 551 Cb 0.13 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2oup h LEU 551 CO -0.16 0.64 -0.32 -0.33 0.09 0.00 0.00 178.44 178.37 2oup h GLU 552 N 0.71 0.86 0.42 1.13 5.08 -1.65 -1.27 114.58 119.86 2oup h GLU 552 Ca 0.16 -0.44 -0.02 0.00 -1.00 0.00 0.00 59.36 58.07 2oup h GLU 552 Cb 0.23 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2oup h GLU 552 CO -0.01 1.08 -0.20 0.00 -1.00 0.00 0.00 179.01 178.88 2oup h ARG 553 N 0.66 -0.55 -0.61 2.33 3.08 -0.86 0.19 114.38 118.63 2oup h ARG 553 Ca 0.06 0.04 -0.09 0.00 0.07 0.00 0.00 59.98 60.06 2oup h ARG 553 Cb 0.90 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 31.05 2oup h ARG 553 CO 0.08 -0.34 0.02 1.57 -1.07 0.00 0.00 179.97 180.24 2oup h LYS 554 N -0.62 1.06 -0.67 0.04 2.10 -1.49 -2.37 116.57 114.62 2oup h LYS 554 Ca -0.06 -0.32 -0.01 0.00 -2.00 0.00 0.00 60.65 58.26 2oup h LYS 554 Cb 0.46 -0.10 -0.03 0.00 -0.90 0.00 0.00 32.23 31.66 2oup h LYS 554 CO 0.10 1.02 0.37 0.78 -2.00 0.00 0.00 179.45 179.71 2oup h GLY 555 N 1.01 1.01 1.36 0.07 0.00 -1.09 -2.56 103.07 102.86 2oup h GLY 555 Ca 0.18 -0.46 -0.15 0.00 0.00 0.00 0.00 47.33 46.90 2oup h GLY 555 CO 0.03 0.44 -0.43 1.41 0.00 0.00 0.00 176.54 177.99 2oup h LEU 556 N 0.92 0.75 -0.55 3.11 3.38 -0.45 -0.23 115.31 122.24 2oup h LEU 556 Ca 0.24 -0.35 -0.10 0.00 0.09 0.00 0.00 57.88 57.76 2oup h LEU 556 Cb 0.05 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 2oup h LEU 556 CO -0.04 1.08 -0.05 -0.07 0.09 0.00 0.00 178.44 179.45 2oup h LEU 557 N 0.57 1.00 -0.52 1.67 3.38 -1.37 -0.78 115.31 119.25 2oup h LEU 557 Ca 0.04 -0.33 -0.07 0.00 0.09 0.00 0.00 57.88 57.61 2oup h LEU 557 Cb 0.97 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 2oup h LEU 557 CO 0.09 1.09 0.04 0.40 0.09 0.00 0.00 178.44 180.14 2oup h ILE 558 N 0.89 1.26 -0.77 1.22 1.08 -1.39 -2.03 117.51 117.76 2oup h ILE 558 Ca 0.15 -1.03 0.00 0.00 -0.39 0.00 0.00 64.86 63.60 2oup h ILE 558 Cb 0.60 0.91 -0.04 0.00 -3.07 0.00 0.00 36.82 35.22 2oup h ILE 558 CO 0.04 0.37 0.50 0.00 -0.69 0.00 0.00 178.15 178.36 2oup h ALA 559 N 0.96 0.98 -0.53 1.87 0.00 -0.79 -1.71 119.26 120.04 2oup h ALA 559 Ca 0.15 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2oup h ALA 559 Cb 0.47 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2oup h ALA 559 CO 0.02 0.41 0.22 0.00 0.00 0.00 0.00 179.25 179.90 2oup h LEU 561 N 0.72 0.36 -1.55 0.00 5.85 -0.99 -3.00 115.31 116.71 2oup h LEU 561 Ca 0.18 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.86 2oup h LEU 561 Cb 0.19 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.12 2oup h LEU 561 CO -0.02 0.38 -0.15 0.00 -0.34 0.00 0.00 178.44 178.31 2oup h HIS 563 N 3.79 0.00 0.00 0.00 2.07 -0.39 -2.46 115.15 118.16 2oup h HIS 563 Ca 0.00 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.51 2oup h HIS 563 Cb 0.88 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.85 2oup h HIS 563 CO 0.00 0.00 -0.21 -0.25 -3.07 0.00 0.00 177.93 174.41 2oup n ASP 564 N -3.11 1.93 -4.61 3.10 8.00 -1.26 -4.85 116.55 115.74 2oup n ASP 564 Ca -0.03 -3.15 -0.49 0.00 0.71 0.00 0.00 54.79 51.83 2oup n ASP 564 Cb 0.08 -0.43 -0.05 0.00 -0.02 0.00 0.00 41.12 40.70 2oup n ASP 564 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2oup n LEU 565 N -1.16 2.08 -1.20 0.64 4.77 -0.93 -1.79 117.00 119.42 2oup n LEU 565 Ca 0.15 1.12 -0.15 0.00 -0.03 0.00 0.00 56.01 57.10 2oup n LEU 565 Cb 0.68 -1.27 -0.05 0.00 -2.33 0.00 0.00 43.42 40.44 2oup n LEU 565 CO -0.00 -0.87 -0.15 -0.67 -1.33 0.00 0.00 177.39 174.37 2oup n ASP 566 N 2.61 -4.71 -4.76 -1.43 2.03 -0.66 -4.45 116.55 105.17 2oup n ASP 566 Ca 0.17 0.31 -0.41 0.00 0.52 0.00 0.00 54.79 55.38 2oup n ASP 566 Cb 0.23 -3.55 -0.02 0.00 -0.72 0.00 0.00 41.12 37.07 2oup n ASP 566 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 2oup s HIS 567 N -2.57 2.96 -1.53 -0.67 2.46 -0.74 -4.91 115.29 110.29 2oup s HIS 567 Ca 0.00 1.24 0.15 0.00 0.47 0.00 0.00 55.06 56.92 2oup s HIS 567 Cb 0.00 -3.79 0.31 0.00 -0.13 0.00 0.00 32.58 28.98 2oup s HIS 567 CO 0.00 -2.33 1.22 0.54 -2.47 0.00 0.00 174.74 171.70 2oup n ARG 568 N 1.30 2.19 -0.33 2.88 1.74 -1.26 -4.48 116.66 118.70 2oup n ARG 568 Ca 0.03 -1.95 0.00 0.00 -0.77 0.00 0.00 57.85 55.16 2oup n ARG 568 Cb 0.41 -1.34 0.00 0.00 -1.02 0.00 0.00 32.46 30.50 2oup n ARG 568 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2oup n GLY 569 N 0.90 0.78 3.65 -0.13 0.00 -1.26 -5.02 105.19 104.10 2oup n GLY 569 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 2oup n GLY 569 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2oup s PHE 570 N -2.21 2.98 0.65 1.61 0.40 -1.26 -4.35 117.98 115.80 2oup s PHE 570 Ca 0.00 0.01 -0.10 0.00 -0.60 0.00 0.00 56.93 56.24 2oup s PHE 570 Cb 0.00 -1.61 0.00 0.00 0.51 0.00 0.00 43.02 41.92 2oup s PHE 570 CO 0.00 0.44 1.02 -1.54 0.70 0.00 0.00 175.22 175.84 2oup s SER 571 N -1.73 5.66 0.24 1.36 1.04 -1.26 -4.95 113.70 114.05 2oup s SER 571 Ca 0.20 1.07 -0.05 0.00 0.48 0.00 0.00 55.95 57.66 2oup s SER 571 Cb -0.11 -1.99 0.25 0.00 0.10 0.00 0.00 66.02 64.26 2oup s SER 571 CO 0.12 -1.15 1.76 0.78 0.98 0.00 0.00 173.24 175.72 2oup h ASN 572 N -0.44 0.92 -0.34 7.02 2.35 -2.00 -2.20 115.58 120.90 2oup h ASN 572 Ca -0.45 -0.20 0.07 0.00 -0.55 0.00 0.00 56.30 55.18 2oup h ASN 572 Cb 1.24 -0.24 -0.07 0.00 0.05 0.00 0.00 38.32 39.30 2oup h ASN 572 CO 0.63 0.91 -0.12 -1.28 -1.65 0.00 0.00 177.43 175.92 2oup h SER 573 N 0.93 -0.43 -0.24 5.81 0.87 -1.98 0.12 113.55 118.62 2oup h SER 573 Ca 0.19 0.12 0.02 0.00 -1.23 0.00 0.00 61.79 60.89 2oup h SER 573 Cb 0.37 0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.57 2oup h SER 573 CO 0.01 -0.16 0.11 0.22 -0.53 0.00 0.00 176.83 176.48 2oup h TYR 574 N -0.05 0.21 -0.61 2.24 3.20 -1.85 0.65 116.97 120.76 2oup h TYR 574 Ca 0.17 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.02 2oup h TYR 574 Cb 0.31 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.49 2oup h TYR 574 CO -0.35 0.12 0.26 -0.07 -1.64 0.00 0.00 178.16 176.47 2oup h LEU 575 N 0.24 0.79 0.19 2.82 3.38 -0.79 -1.18 115.31 120.77 2oup h LEU 575 Ca 0.10 -0.10 -0.31 0.00 0.09 0.00 0.00 57.88 57.66 2oup h LEU 575 Cb 0.03 -0.20 0.03 0.00 0.09 0.00 0.00 40.66 40.61 2oup h LEU 575 CO -0.07 0.70 -1.36 1.56 0.09 0.00 0.00 178.44 179.36 2oup h GLN 576 N 0.86 0.47 -0.49 1.13 4.20 -0.43 -1.94 115.11 118.91 2oup h GLN 576 Ca 0.21 -0.77 -0.03 0.00 0.06 0.00 0.00 58.65 58.12 2oup h GLN 576 Cb 0.15 0.28 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 2oup h GLN 576 CO -0.02 1.36 0.20 -0.22 -0.67 0.00 0.00 178.83 179.48 2oup h LYS 577 N 0.15 0.71 -0.52 1.46 3.64 0.51 -3.00 116.57 119.51 2oup h LYS 577 Ca -0.21 -0.10 -0.21 0.00 -1.27 0.00 0.00 60.65 58.87 2oup h LYS 577 Cb 2.06 -0.13 -0.12 0.00 -0.41 0.00 0.00 32.23 33.63 2oup h LYS 577 CO 0.25 0.58 0.14 1.19 -2.27 0.00 0.00 179.45 179.33 2oup n PHE 578 N -4.35 1.67 -3.97 1.91 3.72 -0.46 -4.99 117.46 110.98 2oup n PHE 578 Ca 0.04 -1.42 -0.31 0.00 -0.05 0.00 0.00 57.45 55.71 2oup n PHE 578 Cb 0.15 -0.57 0.01 0.00 -0.94 0.00 0.00 39.48 38.13 2oup n PHE 578 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2oup n ASP 579 N -0.82 -2.68 -4.93 4.37 8.00 -1.07 -4.91 116.55 114.51 2oup n ASP 579 Ca 0.37 -0.86 -0.25 0.00 0.71 0.00 0.00 54.79 54.76 2oup n ASP 579 Cb 1.19 -1.03 0.01 0.00 -0.02 0.00 0.00 41.12 41.26 2oup n ASP 579 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 2oup s HIS 580 N -4.03 3.36 0.08 1.24 3.76 -0.75 -4.94 115.29 114.01 2oup s HIS 580 Ca 0.32 0.47 -0.15 0.00 -0.15 0.00 0.00 55.06 55.56 2oup s HIS 580 Cb -0.18 -2.32 -0.03 0.00 1.11 0.00 0.00 32.58 31.16 2oup s HIS 580 CO 0.64 -0.34 1.12 -2.30 -0.85 0.00 0.00 174.74 173.01 2oup n PRO 581 N -2.17 -0.21 -0.32 8.40 -0.02 -1.26 -1.17 135.00 138.25 2oup n PRO 581 Ca 0.01 1.11 0.13 0.00 -2.02 0.00 0.00 63.50 62.73 2oup n PRO 581 Cb 0.57 -1.64 0.36 0.00 -0.02 0.00 0.00 33.50 32.76 2oup n PRO 581 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2oup h LEU 582 N 0.00 0.71 -1.67 2.45 3.38 -1.95 -0.22 115.31 118.01 2oup h LEU 582 Ca 0.08 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 2oup h LEU 582 Cb 0.20 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2oup h LEU 582 CO -0.45 0.30 -0.19 0.00 0.09 0.00 0.00 178.44 178.19 2oup h ALA 583 N 1.61 1.43 -0.19 1.53 0.00 -1.35 0.12 119.26 122.41 2oup h ALA 583 Ca 0.52 -0.18 -0.19 0.00 0.00 0.00 0.00 54.91 55.06 2oup h ALA 583 Cb 0.86 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.62 2oup h ALA 583 CO -0.28 0.24 -0.64 0.00 0.00 0.00 0.00 179.25 178.57 2oup h ALA 584 N 1.81 0.34 0.16 0.00 0.00 -0.70 -3.03 119.26 117.83 2oup h ALA 584 Ca -0.00 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 2oup h ALA 584 Cb 0.41 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2oup h ALA 584 CO 0.03 0.61 -0.08 -0.07 0.00 0.00 0.00 179.25 179.74 2oup h LEU 585 N 0.50 -0.18 -7.63 0.00 3.38 -1.24 -3.40 115.31 106.75 2oup h LEU 585 Ca -0.03 -0.35 -0.69 0.00 0.09 0.00 0.00 57.88 56.90 2oup h LEU 585 Cb 1.26 0.05 -0.36 0.00 0.09 0.00 0.00 40.66 41.70 2oup h LEU 585 CO 0.14 0.33 -0.45 -0.31 0.09 0.00 0.00 178.44 178.23 2oup s TYR 586 N -3.82 3.45 -0.03 1.13 2.02 0.38 -4.93 117.35 115.55 2oup s TYR 586 Ca -0.14 -2.68 0.31 0.00 -0.37 0.00 0.00 57.07 54.19 2oup s TYR 586 Cb 0.01 -3.16 1.30 0.00 -0.40 0.00 0.00 41.96 39.70 2oup s TYR 586 CO 0.53 -0.87 1.93 0.66 -1.57 0.00 0.00 175.55 176.23 2oup h SER 587 N 7.29 0.00 -4.28 2.29 4.64 -1.75 -3.35 113.55 118.38 2oup h SER 587 Ca -0.06 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.75 2oup h SER 587 Cb 0.98 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 62.78 2oup h SER 587 CO 0.70 0.00 -0.82 0.28 -0.87 0.00 0.00 176.83 176.12 2oup s THR 588 N -3.59 1.28 -1.47 2.95 -1.32 -1.26 -4.76 115.64 107.47 2oup s THR 588 Ca 0.02 -0.73 -0.00 0.00 -1.21 0.00 0.00 61.69 59.76 2oup s THR 588 Cb 0.09 -1.07 0.00 0.00 -1.51 0.00 0.00 72.50 70.01 2oup s THR 588 CO 0.50 0.33 0.24 -1.20 -2.21 0.00 0.00 174.62 172.28 2oup n SER 589 N 2.59 0.20 -0.07 8.08 7.64 -1.26 -4.77 113.62 126.02 2oup n SER 589 Ca -0.15 -1.13 -0.10 0.00 1.01 0.00 0.00 58.87 58.51 2oup n SER 589 Cb 0.54 -2.41 -0.07 0.00 -1.01 0.00 0.00 64.21 61.27 2oup n SER 589 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2oup h THR 590 N -1.82 0.00 -0.84 0.44 2.02 -1.86 -1.37 112.91 109.48 2oup h THR 590 Ca -0.64 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.53 2oup h THR 590 Cb 1.39 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.76 2oup h THR 590 CO 0.66 0.00 0.50 0.24 0.37 0.00 0.00 175.52 177.29 2oup h MET 591 N -0.31 1.14 -0.50 6.66 2.86 -1.89 -2.76 114.93 120.14 2oup h MET 591 Ca 0.04 -0.11 -0.10 0.00 -2.06 0.00 0.00 59.70 57.47 2oup h MET 591 Cb 0.42 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 2oup h MET 591 CO -0.38 0.81 -0.09 0.93 1.06 0.00 0.00 176.91 179.23 2oup h GLU 592 N 1.16 0.92 -0.28 1.72 3.07 -1.82 0.88 114.58 120.23 2oup h GLU 592 Ca 0.30 -0.32 -0.06 0.00 -0.50 0.00 0.00 59.36 58.79 2oup h GLU 592 Cb -0.04 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 27.79 2oup h GLU 592 CO -0.06 0.97 -0.08 1.96 -1.40 0.00 0.00 179.01 180.40 2oup h GLN 593 N 0.82 0.45 -0.23 2.33 4.20 -1.12 -2.17 115.11 119.40 2oup h GLN 593 Ca 0.14 -0.11 -0.04 0.00 0.06 0.00 0.00 58.65 58.70 2oup h GLN 593 Cb 0.62 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.33 2oup h GLN 593 CO 0.04 0.55 -0.00 1.25 -0.67 0.00 0.00 178.83 180.00 2oup h HIS 594 N 0.43 0.44 -0.97 2.96 2.76 -1.07 -1.99 115.15 117.71 2oup h HIS 594 Ca 0.09 -0.08 0.08 0.00 -2.20 0.00 0.00 60.37 58.26 2oup h HIS 594 Cb 0.42 -0.12 -0.07 0.00 1.55 0.00 0.00 27.41 29.19 2oup h HIS 594 CO 0.01 0.58 0.63 0.45 -1.30 0.00 0.00 177.93 178.30 2oup h HIS 595 N 0.18 1.13 -0.37 5.26 3.86 -0.50 -0.73 115.15 123.99 2oup h HIS 595 Ca 0.07 0.03 -0.11 0.00 -1.16 0.00 0.00 60.37 59.19 2oup h HIS 595 Cb 0.41 -0.37 -0.01 0.00 1.06 0.00 0.00 27.41 28.50 2oup h HIS 595 CO 0.04 0.55 -0.22 0.35 0.86 0.00 0.00 177.93 179.51 2oup h PHE 596 N 1.08 0.93 -0.82 2.45 3.57 -1.26 -1.80 116.94 121.09 2oup h PHE 596 Ca 0.44 -0.24 0.06 0.00 3.53 0.00 0.00 57.97 61.75 2oup h PHE 596 Cb 0.27 -0.21 -0.06 0.00 2.79 0.00 0.00 35.95 38.74 2oup h PHE 596 CO -0.00 1.00 0.50 1.03 -2.23 0.00 0.00 178.31 178.61 2oup h SER 597 N 0.59 0.78 -0.41 0.41 0.87 -0.59 -0.92 113.55 114.28 2oup h SER 597 Ca 0.08 0.02 -0.08 0.00 -1.23 0.00 0.00 61.79 60.57 2oup h SER 597 Cb 0.78 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.58 2oup h SER 597 CO 0.06 0.50 -0.04 1.56 -0.53 0.00 0.00 176.83 178.39 2oup h GLN 598 N 0.92 0.82 -0.44 2.24 1.08 -1.00 -1.88 115.11 116.86 2oup h GLN 598 Ca 0.36 -0.24 -0.04 0.00 -1.45 0.00 0.00 58.65 57.27 2oup h GLN 598 Cb 0.17 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.50 2oup h GLN 598 CO -0.17 0.85 0.10 1.15 -0.95 0.00 0.00 178.83 179.81 2oup h THR 599 N 0.76 1.23 -0.55 -0.54 2.02 -0.57 -2.13 112.91 113.14 2oup h THR 599 Ca 0.14 -0.82 -0.01 0.00 0.77 0.00 0.00 66.41 66.49 2oup h THR 599 Cb 0.51 0.93 -0.03 0.00 -1.74 0.00 0.00 68.15 67.83 2oup h THR 599 CO 0.03 0.29 0.31 0.58 0.37 0.00 0.00 175.52 177.10 2oup h VAL 600 N 0.58 1.18 -0.90 3.16 2.07 -1.04 -1.76 116.25 119.53 2oup h VAL 600 Ca 0.14 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 2oup h VAL 600 Cb 0.33 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 2oup h VAL 600 CO 0.00 0.19 0.51 0.28 0.02 0.00 0.00 177.57 178.58 2oup h SER 601 N 0.74 1.10 -0.46 0.57 0.02 -1.14 -1.57 113.55 112.81 2oup h SER 601 Ca 0.20 -0.08 -0.10 0.00 -0.84 0.00 0.00 61.79 60.97 2oup h SER 601 Cb 0.03 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.28 2oup h SER 601 CO -0.03 0.87 -0.08 0.40 -1.14 0.00 0.00 176.83 176.84 2oup h ILE 602 N 1.25 1.27 0.00 3.27 2.04 -1.11 -2.72 117.51 121.51 2oup h ILE 602 Ca 0.32 -1.19 -0.01 0.00 1.00 0.00 0.00 64.86 64.98 2oup h ILE 602 Cb -0.01 1.10 -0.00 0.00 -0.74 0.00 0.00 36.82 37.17 2oup h ILE 602 CO -0.05 0.41 -0.04 -0.07 0.00 0.00 0.00 178.15 178.39 2oup h LEU 603 N 0.71 0.00 -0.95 1.44 3.38 -0.69 -1.65 115.31 117.54 2oup h LEU 603 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2oup h LEU 603 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 2oup h LEU 603 CO 0.04 0.04 0.00 0.00 0.09 0.00 0.00 178.44 178.61 2oup n GLN 604 N -3.89 1.64 -2.88 1.13 6.02 -0.65 -3.62 117.38 115.12 2oup n GLN 604 Ca -0.03 -0.95 -0.34 0.00 -0.01 0.00 0.00 57.00 55.68 2oup n GLN 604 Cb 0.13 -1.42 -0.07 0.00 1.02 0.00 0.00 30.24 29.90 2oup n GLN 604 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2oup s LEU 605 N -1.72 4.09 0.17 1.08 1.43 -0.62 -4.98 118.68 118.13 2oup s LEU 605 Ca 0.34 1.64 -0.33 0.00 -1.03 0.00 0.00 54.13 54.75 2oup s LEU 605 Cb 0.18 -4.27 -0.14 0.00 0.03 0.00 0.00 46.19 41.99 2oup s LEU 605 CO 0.29 -0.24 1.51 1.21 0.23 0.00 0.00 176.35 179.35 2oup n GLU 606 N -0.21 2.02 -0.95 1.70 2.13 -1.26 -1.57 120.64 122.51 2oup n GLU 606 Ca 0.05 0.73 0.00 0.00 0.66 0.00 0.00 57.16 58.59 2oup n GLU 606 Cb 0.53 -2.46 0.00 0.00 0.27 0.00 0.00 31.44 29.78 2oup n GLU 606 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2oup n GLY 607 N 3.02 0.36 0.39 8.31 0.00 -1.26 -4.83 105.19 111.17 2oup n GLY 607 Ca 0.16 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.23 2oup n GLY 607 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2oup n HIS 608 N -2.44 0.00 -2.12 1.61 8.25 -0.61 -4.64 115.22 115.28 2oup n HIS 608 Ca 0.00 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.07 2oup n HIS 608 Cb 0.16 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.25 2oup n HIS 608 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 2oup n ASN 609 N 0.50 3.97 0.14 0.41 6.94 -1.24 -4.62 115.26 121.37 2oup n ASN 609 Ca 0.06 -2.82 0.11 0.00 -0.02 0.00 0.00 54.58 51.90 2oup n ASN 609 Cb 0.25 -1.66 0.51 0.00 -2.36 0.00 0.00 39.78 36.52 2oup n ASN 609 CO 0.00 0.00 0.00 2.30 -1.03 0.00 0.00 177.26 178.53 2oup n ILE 610 N 6.48 1.00 -0.45 1.53 -5.35 -1.26 -1.90 119.36 119.42 2oup n ILE 610 Ca 0.49 0.51 0.08 0.00 -0.27 0.00 0.00 62.75 63.56 2oup n ILE 610 Cb 0.44 -1.48 0.25 0.00 -1.74 0.00 0.00 39.64 37.12 2oup n ILE 610 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 2oup n PHE 611 N -2.19 0.89 -0.12 4.28 3.01 -1.26 -4.63 117.46 117.44 2oup n PHE 611 Ca 0.00 -0.58 0.23 0.00 1.01 0.00 0.00 57.45 58.11 2oup n PHE 611 Cb 0.11 -0.12 0.67 0.00 -0.01 0.00 0.00 39.48 40.13 2oup n PHE 611 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 2oup h SER 612 N 2.96 0.08 1.33 4.37 4.64 -1.79 -1.01 113.55 124.14 2oup h SER 612 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2oup h SER 612 Cb 1.07 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 2oup h SER 612 CO 0.09 0.04 0.00 0.71 -0.87 0.00 0.00 176.83 176.80 2oup h THR 613 N 0.08 0.00 -4.22 2.95 1.35 -1.84 -3.46 112.91 107.77 2oup h THR 613 Ca 0.36 -0.54 -0.50 0.00 -0.55 0.00 0.00 66.41 65.18 2oup h THR 613 Cb 1.30 1.47 0.07 0.00 -1.73 0.00 0.00 68.15 69.27 2oup h THR 613 CO -0.03 0.00 0.37 -0.76 -0.25 0.00 0.00 175.52 174.85 2oup s LEU 614 N -5.17 3.41 1.05 3.87 1.02 -0.38 -5.04 118.68 117.44 2oup s LEU 614 Ca 0.07 1.80 -0.13 0.00 0.02 0.00 0.00 54.13 55.89 2oup s LEU 614 Cb 0.09 -4.53 0.22 0.00 0.02 0.00 0.00 46.19 41.99 2oup s LEU 614 CO 0.55 -1.28 1.08 -0.94 0.02 0.00 0.00 176.35 175.78 2oup s SER 615 N -2.95 2.14 0.32 2.29 1.04 -1.26 -4.70 113.70 110.58 2oup s SER 615 Ca 0.63 1.25 0.02 0.00 0.48 0.00 0.00 55.95 58.33 2oup s SER 615 Cb -0.16 -1.95 0.57 0.00 0.10 0.00 0.00 66.02 64.59 2oup s SER 615 CO 0.41 -3.44 1.93 0.77 0.98 0.00 0.00 173.24 173.89 2oup h SER 616 N -2.10 0.85 0.25 7.02 4.64 -1.97 -1.22 113.55 121.01 2oup h SER 616 Ca -0.57 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.43 2oup h SER 616 Cb 1.33 -0.18 0.04 0.00 -0.31 0.00 0.00 62.40 63.28 2oup h SER 616 CO 0.56 0.55 -1.44 0.28 -0.87 0.00 0.00 176.83 175.92 2oup h SER 617 N 0.97 0.81 -0.07 4.97 0.02 -1.99 -3.06 113.55 115.20 2oup h SER 617 Ca 0.36 -0.92 -0.04 0.00 -0.84 0.00 0.00 61.79 60.35 2oup h SER 617 Cb 0.19 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 2oup h SER 617 CO -0.13 1.69 -0.07 -0.33 -1.14 0.00 0.00 176.83 176.85 2oup h GLU 618 N 0.10 0.32 -0.26 3.45 5.08 -1.84 -0.04 114.58 121.38 2oup h GLU 618 Ca -0.25 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 57.94 2oup h GLU 618 Cb 2.13 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 31.32 2oup h GLU 618 CO 0.26 0.40 -0.24 -0.92 -1.00 0.00 0.00 179.01 177.51 2oup h TYR 619 N 0.31 0.75 -0.12 4.33 3.20 -1.32 -1.64 116.97 122.48 2oup h TYR 619 Ca 0.07 -0.22 -0.10 0.00 3.14 0.00 0.00 58.73 61.61 2oup h TYR 619 Cb 0.32 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 2oup h TYR 619 CO 0.01 0.93 -0.38 1.49 -1.64 0.00 0.00 178.16 178.57 2oup h GLU 620 N 0.34 0.25 -0.31 1.82 4.81 -1.36 -2.14 114.58 117.99 2oup h GLU 620 Ca 0.04 -0.11 -0.07 0.00 -0.13 0.00 0.00 59.36 59.09 2oup h GLU 620 Cb 0.80 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.17 2oup h GLU 620 CO 0.06 0.59 -0.09 1.96 -0.73 0.00 0.00 179.01 180.81 2oup h GLN 621 N 0.21 0.61 -0.38 1.92 4.20 -0.88 -2.63 115.11 118.16 2oup h GLN 621 Ca 0.02 -0.24 -0.10 0.00 0.06 0.00 0.00 58.65 58.39 2oup h GLN 621 Cb 0.77 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.50 2oup h GLN 621 CO 0.06 0.80 -0.19 -0.24 -0.67 0.00 0.00 178.83 178.59 2oup h VAL 622 N 0.37 1.27 -0.18 -0.54 3.04 -1.12 -1.48 116.25 117.61 2oup h VAL 622 Ca 0.08 -1.27 -0.05 0.00 -1.01 0.00 0.00 66.70 64.45 2oup h VAL 622 Cb 0.59 1.18 -0.01 0.00 -2.01 0.00 0.00 31.29 31.03 2oup h VAL 622 CO 0.03 0.42 -0.11 -0.07 -1.01 0.00 0.00 177.57 176.84 2oup h LEU 623 N 0.64 0.26 -0.22 3.16 3.38 -1.36 -0.27 115.31 120.90 2oup h LEU 623 Ca 0.10 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 2oup h LEU 623 Cb 0.67 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 2oup h LEU 623 CO 0.05 0.41 -0.10 -0.33 0.09 0.00 0.00 178.44 178.55 2oup h GLU 624 N 0.27 0.45 -0.40 1.13 4.39 -1.04 0.27 114.58 119.65 2oup h GLU 624 Ca 0.05 -0.20 0.03 0.00 0.34 0.00 0.00 59.36 59.58 2oup h GLU 624 Cb 0.37 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.97 2oup h GLU 624 CO 0.02 0.73 0.21 0.82 -1.16 0.00 0.00 179.01 179.63 2oup h ILE 625 N 0.16 1.00 -0.28 3.13 2.04 -0.79 -0.39 117.51 122.38 2oup h ILE 625 Ca 0.05 -0.15 -0.02 0.00 1.00 0.00 0.00 64.86 65.74 2oup h ILE 625 Cb 0.60 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 2oup h ILE 625 CO 0.03 0.08 0.10 0.40 0.00 0.00 0.00 178.15 178.76 2oup h ILE 626 N 0.43 1.19 0.04 -0.67 2.04 -0.96 -0.58 117.51 119.00 2oup h ILE 626 Ca 0.16 -0.59 0.00 0.00 1.00 0.00 0.00 64.86 65.44 2oup h ILE 626 Cb 0.05 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 2oup h ILE 626 CO -0.10 0.20 -0.04 -0.09 0.00 0.00 0.00 178.15 178.11 2oup h ARG 627 N 0.29 -0.09 -0.87 2.37 2.43 -0.67 -0.89 114.38 116.94 2oup h ARG 627 Ca 0.09 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 2oup h ARG 627 Cb 0.21 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.74 2oup h ARG 627 CO -0.01 -0.06 0.49 0.87 -1.51 0.00 0.00 179.97 179.75 2oup h LYS 628 N -0.10 1.21 -0.60 0.20 1.57 -1.00 -1.52 116.57 116.34 2oup h LYS 628 Ca 0.01 -0.13 -0.05 0.00 -1.87 0.00 0.00 60.65 58.60 2oup h LYS 628 Cb 0.10 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 2oup h LYS 628 CO -0.02 0.88 0.16 0.00 -0.57 0.00 0.00 179.45 179.90 2oup h ALA 629 N 1.27 0.79 -0.35 3.86 0.00 -0.76 -1.67 119.26 122.39 2oup h ALA 629 Ca 0.31 -0.22 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 2oup h ALA 629 Cb 0.01 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 2oup h ALA 629 CO -0.05 0.48 -0.37 0.82 0.00 0.00 0.00 179.25 180.13 2oup h ILE 630 N 0.86 1.28 -0.45 0.00 2.04 -0.91 -2.87 117.51 117.46 2oup h ILE 630 Ca 0.19 -1.55 -0.02 0.00 1.00 0.00 0.00 64.86 64.48 2oup h ILE 630 Cb 0.33 1.46 -0.02 0.00 -0.74 0.00 0.00 36.82 37.85 2oup h ILE 630 CO -0.00 0.51 0.17 0.40 0.00 0.00 0.00 178.15 179.23 2oup h ILE 631 N 0.67 1.17 0.00 -0.67 1.08 -1.18 -1.77 117.51 116.82 2oup h ILE 631 Ca 0.05 -0.54 0.00 0.00 -0.39 0.00 0.00 64.86 63.99 2oup h ILE 631 Cb 0.97 0.64 0.00 0.00 -3.07 0.00 0.00 36.82 35.36 2oup h ILE 631 CO 0.09 0.21 0.00 0.00 -0.69 0.00 0.00 178.15 177.76 2oup h ALA 632 N 1.56 1.00 0.00 1.87 0.00 -1.07 -1.34 119.26 121.28 2oup h ALA 632 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2oup h ALA 632 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2oup h ALA 632 CO -0.01 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.49 2oup n THR 633 N -3.01 0.04 -2.46 0.00 -2.24 -0.66 -4.55 114.28 101.40 2oup n THR 633 Ca -0.02 0.01 -0.42 0.00 -2.27 0.00 0.00 64.05 61.35 2oup n THR 633 Cb 0.12 -0.64 -0.02 0.00 -2.10 0.00 0.00 70.33 67.68 2oup n THR 633 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2oup s ASP 634 N -2.07 6.27 0.58 3.42 2.15 -0.51 -4.87 116.67 121.64 2oup s ASP 634 Ca 0.34 0.28 0.28 0.00 0.43 0.00 0.00 52.55 53.88 2oup s ASP 634 Cb 0.16 -2.55 1.52 0.00 -0.30 0.00 0.00 42.92 41.75 2oup s ASP 634 CO 0.28 -1.59 1.97 0.25 -0.17 0.00 0.00 175.17 175.91 2oup h LEU 635 N 12.57 0.00 -1.95 -1.34 5.85 -1.89 -1.04 115.31 127.50 2oup h LEU 635 Ca -0.26 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.45 2oup h LEU 635 Cb 1.08 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.11 2oup h LEU 635 CO 1.17 0.00 -0.04 0.00 -0.34 0.00 0.00 178.44 179.23 2oup h ALA 636 N 1.58 1.89 0.00 1.25 0.00 -1.93 -1.83 119.26 120.21 2oup h ALA 636 Ca 0.18 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 2oup h ALA 636 Cb 0.97 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 2oup h ALA 636 CO -0.00 0.05 -0.65 -0.07 0.00 0.00 0.00 179.25 178.58 2oup h LEU 637 N 0.00 0.00 -0.62 0.00 3.38 -1.53 -3.37 115.31 113.17 2oup h LEU 637 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2oup h LEU 637 Cb 0.08 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 2oup h LEU 637 CO 0.01 0.11 0.33 0.22 0.09 0.00 0.00 178.44 179.20 2oup h TYR 638 N 0.00 0.86 -0.26 1.13 3.20 -1.34 -2.27 116.97 118.29 2oup h TYR 638 Ca -0.02 -0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.87 2oup h TYR 638 Cb 1.10 -0.27 -0.04 0.00 1.54 0.00 0.00 36.73 39.05 2oup h TYR 638 CO 0.00 0.62 -0.01 0.74 -1.64 0.00 0.00 178.16 177.87 2oup h PHE 639 N 0.85 -0.04 -0.50 -3.82 -1.00 -1.72 0.97 116.94 111.68 2oup h PHE 639 Ca 0.22 0.02 -0.12 0.00 2.81 0.00 0.00 57.97 60.90 2oup h PHE 639 Cb 0.05 0.06 -0.02 0.00 3.61 0.00 0.00 35.95 39.66 2oup h PHE 639 CO -0.01 -0.06 -0.16 0.78 -1.61 0.00 0.00 178.31 177.26 2oup h GLY 640 N 0.07 1.06 0.99 -1.45 0.00 -1.80 -2.11 103.07 99.82 2oup h GLY 640 Ca 0.13 -0.89 -0.00 0.00 0.00 0.00 0.00 47.33 46.57 2oup h GLY 640 CO -0.22 0.81 0.22 -0.57 0.00 0.00 0.00 176.54 176.78 2oup h ASN 641 N 0.86 0.42 -0.53 0.19 -0.00 -0.77 -1.14 115.58 114.60 2oup h ASN 641 Ca 0.12 -0.04 -0.07 0.00 -0.00 0.00 0.00 56.30 56.31 2oup h ASN 641 Cb 0.72 -0.11 -0.02 0.00 -0.00 0.00 0.00 38.32 38.91 2oup h ASN 641 CO 0.06 0.34 0.05 -0.09 -0.00 0.00 0.00 177.43 177.78 2oup h ARG 642 N 0.47 0.91 -0.69 6.67 2.43 -0.77 -1.38 114.38 122.01 2oup h ARG 642 Ca 0.13 -0.26 0.02 0.00 -0.81 0.00 0.00 59.98 59.05 2oup h ARG 642 Cb -0.02 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.40 2oup h ARG 642 CO -0.03 0.90 0.45 -0.22 -1.51 0.00 0.00 179.97 179.56 2oup h LYS 643 N 0.79 0.86 -0.48 0.20 3.64 -1.16 -0.05 116.57 120.38 2oup h LYS 643 Ca 0.16 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.41 2oup h LYS 643 Cb 0.46 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 2oup h LYS 643 CO 0.02 0.57 0.00 1.96 -2.27 0.00 0.00 179.45 179.73 2oup h GLN 644 N 0.89 0.85 -0.71 1.90 4.20 -0.97 -2.63 115.11 118.64 2oup h GLN 644 Ca 0.27 -0.27 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 2oup h GLN 644 Cb -0.04 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.63 2oup h GLN 644 CO -0.09 0.89 0.30 -0.07 -0.67 0.00 0.00 178.83 179.20 2oup h LEU 645 N 0.71 0.95 -0.41 1.46 3.38 -0.80 -1.59 115.31 119.01 2oup h LEU 645 Ca 0.14 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 2oup h LEU 645 Cb 0.50 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 2oup h LEU 645 CO 0.02 0.83 0.25 -0.08 0.09 0.00 0.00 178.44 179.55 2oup h GLU 646 N 1.02 0.55 -0.59 1.13 4.81 -0.81 -0.39 114.58 120.30 2oup h GLU 646 Ca 0.24 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.35 2oup h GLU 646 Cb 0.16 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 2oup h GLU 646 CO -0.02 0.40 0.09 1.49 -0.73 0.00 0.00 179.01 180.24 2oup h GLU 647 N 0.54 0.95 -0.39 1.92 4.81 -1.15 -0.25 114.58 121.01 2oup h GLU 647 Ca 0.15 -0.24 -0.04 0.00 -0.13 0.00 0.00 59.36 59.10 2oup h GLU 647 Cb -0.01 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 2oup h GLU 647 CO -0.03 0.89 0.10 0.52 -0.73 0.00 0.00 179.01 179.76 2oup h MET 648 N 0.90 0.62 -0.11 1.92 2.86 -0.91 -1.22 114.93 118.98 2oup h MET 648 Ca 0.18 -0.15 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 2oup h MET 648 Cb 0.40 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.98 2oup h MET 648 CO 0.01 0.64 0.03 -0.92 1.06 0.00 0.00 176.91 177.73 2oup h TYR 649 N 0.48 0.18 -0.71 -0.22 3.20 -0.86 -0.37 116.97 118.67 2oup h TYR 649 Ca 0.12 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.95 2oup h TYR 649 Cb 0.30 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.48 2oup h TYR 649 CO 0.02 0.32 0.33 1.96 -1.64 0.00 0.00 178.16 179.15 2oup h GLN 650 N -0.01 1.02 -0.00 1.82 4.20 -0.99 -2.57 115.11 118.58 2oup h GLN 650 Ca 0.04 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.60 2oup h GLN 650 Cb 0.23 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.82 2oup h GLN 650 CO -0.00 0.79 -0.19 0.25 -0.67 0.00 0.00 178.83 179.01 2oup n THR 651 N -4.33 0.00 -1.72 -0.54 -2.24 -0.47 -4.93 114.28 100.07 2oup n THR 651 Ca 0.07 -0.01 -0.06 0.00 -2.27 0.00 0.00 64.05 61.78 2oup n THR 651 Cb 0.14 -0.17 -0.01 0.00 -2.10 0.00 0.00 70.33 68.19 2oup n THR 651 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2oup n GLY 652 N 1.46 0.42 0.04 3.38 0.00 -0.66 -4.92 105.19 104.89 2oup n GLY 652 Ca 0.08 -0.72 0.10 0.00 0.00 0.00 0.00 46.02 45.48 2oup n GLY 652 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2oup n SER 653 N 1.01 1.06 -4.68 1.61 3.41 -0.24 -4.94 113.62 110.86 2oup n SER 653 Ca -0.06 -1.03 -0.42 0.00 -0.26 0.00 0.00 58.87 57.10 2oup n SER 653 Cb 0.40 0.96 -0.03 0.00 -0.26 0.00 0.00 64.21 65.28 2oup n SER 653 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2oup s LEU 654 N -2.93 4.39 -0.19 1.04 2.96 -1.01 -4.96 118.68 117.99 2oup s LEU 654 Ca 0.09 2.59 -0.04 0.00 -0.22 0.00 0.00 54.13 56.54 2oup s LEU 654 Cb 0.16 -3.55 0.06 0.00 0.50 0.00 0.00 46.19 43.36 2oup s LEU 654 CO 0.83 -0.98 0.07 0.21 -1.32 0.00 0.00 176.35 175.15 2oup s ASN 655 N 3.33 2.68 0.00 3.68 3.04 -1.26 -5.01 114.94 121.40 2oup s ASN 655 Ca 0.81 -0.75 0.08 0.00 0.04 0.00 0.00 52.86 53.03 2oup s ASN 655 Cb -0.41 -0.42 0.48 0.00 -1.54 0.00 0.00 41.25 39.36 2oup s ASN 655 CO 0.36 -0.33 0.90 0.18 -3.04 0.00 0.00 177.10 175.17 2oup n LEU 656 N 5.16 0.00 0.07 3.21 4.77 -1.26 -1.35 117.00 127.60 2oup n LEU 656 Ca -0.08 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.02 2oup n LEU 656 Cb 0.48 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.67 2oup n LEU 656 CO 0.11 0.00 0.21 0.78 -1.33 0.00 0.00 177.39 177.16 2oup h ASN 657 N 0.00 0.00 -3.40 -1.43 2.35 -1.99 -3.43 115.58 107.68 2oup h ASN 657 Ca 0.00 -0.17 -0.60 0.00 -0.55 0.00 0.00 56.30 54.98 2oup h ASN 657 Cb 0.00 0.00 -0.10 0.00 0.05 0.00 0.00 38.32 38.27 2oup h ASN 657 CO 0.00 0.08 0.43 0.21 -1.65 0.00 0.00 177.43 176.50 2oup s ASN 658 N -4.55 6.71 0.23 5.81 3.84 -0.46 -4.93 114.94 121.59 2oup s ASN 658 Ca 0.04 0.76 -0.06 0.00 0.21 0.00 0.00 52.86 53.81 2oup s ASN 658 Cb 0.12 -2.42 0.40 0.00 -0.55 0.00 0.00 41.25 38.80 2oup s ASN 658 CO 0.75 -0.60 1.74 -0.61 -2.79 0.00 0.00 177.10 175.59 2oup h GLN 659 N 8.02 0.44 -0.81 0.43 4.15 -1.86 0.11 115.11 125.59 2oup h GLN 659 Ca -0.24 -0.03 0.13 0.00 0.77 0.00 0.00 58.65 59.28 2oup h GLN 659 Cb 1.09 -0.10 -0.06 0.00 0.21 0.00 0.00 27.48 28.63 2oup h GLN 659 CO 0.88 0.29 0.53 1.03 -1.93 0.00 0.00 178.83 179.64 2oup h SER 660 N 0.46 0.58 -0.01 -0.69 0.87 -1.93 0.40 113.55 113.22 2oup h SER 660 Ca 0.38 0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.93 2oup h SER 660 Cb 0.53 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.40 2oup h SER 660 CO -0.36 0.31 -0.14 0.45 -0.53 0.00 0.00 176.83 176.56 2oup h HIS 661 N 0.62 0.17 -0.68 2.24 3.86 -1.07 -2.67 115.15 117.62 2oup h HIS 661 Ca 0.39 -0.08 0.07 0.00 -1.16 0.00 0.00 60.37 59.60 2oup h HIS 661 Cb 0.65 -0.02 -0.06 0.00 1.06 0.00 0.00 27.41 29.04 2oup h HIS 661 CO -0.00 0.82 0.36 0.00 0.86 0.00 0.00 177.93 179.96 2oup h ARG 662 N -0.53 0.62 -0.66 2.45 3.08 -0.86 -0.76 114.38 117.72 2oup h ARG 662 Ca -0.01 -0.04 0.07 0.00 0.07 0.00 0.00 59.98 60.07 2oup h ARG 662 Cb 0.85 -0.14 -0.06 0.00 0.08 0.00 0.00 29.97 30.70 2oup h ARG 662 CO 0.03 0.41 0.34 -0.44 -1.07 0.00 0.00 179.97 179.24 2oup h ASP 663 N 0.64 0.48 -0.35 7.04 3.32 -0.95 0.11 116.42 126.69 2oup h ASP 663 Ca 0.32 0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.37 2oup h ASP 663 Cb 0.26 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 2oup h ASP 663 CO -0.22 0.30 0.08 0.03 -1.72 0.00 0.00 179.24 177.71 2oup h ARG 664 N 0.62 0.57 -0.40 3.56 3.08 -0.93 0.13 114.38 121.01 2oup h ARG 664 Ca 0.31 -0.14 -0.00 0.00 0.07 0.00 0.00 59.98 60.22 2oup h ARG 664 Cb 0.25 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 2oup h ARG 664 CO -0.22 0.62 0.25 0.28 -1.07 0.00 0.00 179.97 179.83 2oup h VAL 665 N 0.42 1.12 -0.78 2.04 2.07 -0.63 -1.15 116.25 119.34 2oup h VAL 665 Ca 0.11 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 2oup h VAL 665 Cb 0.31 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 30.63 2oup h VAL 665 CO 0.00 0.12 0.41 0.40 0.02 0.00 0.00 177.57 178.53 2oup h ILE 666 N 0.53 1.23 -0.78 4.57 2.04 -0.67 -0.95 117.51 123.48 2oup h ILE 666 Ca 0.14 -0.59 0.01 0.00 1.00 0.00 0.00 64.86 65.42 2oup h ILE 666 Cb -0.02 0.19 -0.04 0.00 -0.74 0.00 0.00 36.82 36.22 2oup h ILE 666 CO -0.03 0.26 0.51 1.23 0.00 0.00 0.00 178.15 180.12 2oup h GLY 667 N 1.12 1.09 1.42 5.37 0.00 -0.29 -0.58 103.07 111.21 2oup h GLY 667 Ca 0.27 -0.41 -0.10 0.00 0.00 0.00 0.00 47.33 47.09 2oup h GLY 667 CO -0.04 0.40 -0.21 -2.00 0.00 0.00 0.00 176.54 174.69 2oup h LEU 668 N 1.05 0.68 -0.93 3.11 5.85 -0.55 -1.94 115.31 122.59 2oup h LEU 668 Ca 0.28 -0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 2oup h LEU 668 Cb -0.12 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.68 2oup h LEU 668 CO -0.06 0.88 0.57 0.24 -0.34 0.00 0.00 178.44 179.73 2oup h MET 669 N 0.60 1.25 -0.59 1.25 2.86 -0.64 -0.16 114.93 119.50 2oup h MET 669 Ca 0.09 -0.11 -0.03 0.00 -2.06 0.00 0.00 59.70 57.59 2oup h MET 669 Cb 0.68 -0.27 -0.03 0.00 0.06 0.00 0.00 31.60 32.05 2oup h MET 669 CO 0.05 0.87 0.27 0.52 1.06 0.00 0.00 176.91 179.68 2oup h MET 670 N 1.27 0.86 -0.29 1.72 2.86 -0.52 -0.00 114.93 120.83 2oup h MET 670 Ca 0.33 -0.13 -0.00 0.00 -2.06 0.00 0.00 59.70 57.84 2oup h MET 670 Cb -0.07 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.43 2oup h MET 670 CO -0.06 0.71 0.17 1.15 1.06 0.00 0.00 176.91 179.93 2oup h THR 671 N 0.81 1.11 -0.99 2.22 2.02 -0.89 0.69 112.91 117.88 2oup h THR 671 Ca 0.20 -0.27 0.03 0.00 0.77 0.00 0.00 66.41 67.15 2oup h THR 671 Cb 0.14 0.77 -0.06 0.00 -1.74 0.00 0.00 68.15 67.26 2oup h THR 671 CO -0.02 0.11 0.65 0.00 0.37 0.00 0.00 175.52 176.63 2oup h ALA 672 N 1.06 1.35 -0.23 6.16 0.00 -0.62 -1.38 119.26 125.60 2oup h ALA 672 Ca 0.10 -0.05 -0.18 0.00 0.00 0.00 0.00 54.91 54.79 2oup h ALA 672 Cb 0.03 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.46 2oup h ALA 672 CO -0.02 0.56 -0.55 0.00 0.00 0.00 0.00 179.25 179.24 2oup h ASP 674 N 0.52 0.40 -0.42 0.00 3.58 -0.26 -2.51 116.42 117.72 2oup h ASP 674 Ca -0.00 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.43 2oup h ASP 674 Cb 1.16 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 42.11 2oup h ASP 674 CO 0.12 0.32 0.00 0.18 -2.88 0.00 0.00 179.24 176.98 2oup n LEU 675 N -4.45 3.13 0.00 2.28 4.77 -0.58 -4.68 117.00 117.47 2oup n LEU 675 Ca 0.02 -1.41 0.00 0.00 -0.03 0.00 0.00 56.01 54.59 2oup n LEU 675 Cb 0.10 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 2oup n LEU 675 CO 0.36 0.70 0.46 0.00 -1.33 0.00 0.00 177.39 177.58 2oup h SER 677 N 0.00 0.00 0.00 0.00 0.02 -1.85 -0.68 113.55 111.05 2oup h SER 677 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2oup h SER 677 Cb 0.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.65 2oup h SER 677 CO 0.00 0.04 0.00 1.33 -1.14 0.00 0.00 176.83 177.06 2oup n VAL 678 N -3.67 0.00 -0.31 2.27 0.24 -0.88 -3.21 118.33 112.76 2oup n VAL 678 Ca -0.03 0.00 0.05 0.00 -2.04 0.00 0.00 64.34 62.33 2oup n VAL 678 Cb 0.14 -0.56 0.14 0.00 -1.47 0.00 0.00 33.84 32.09 2oup n VAL 678 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2oup n THR 679 N -0.99 1.25 -2.49 3.34 -2.24 -0.26 -3.82 114.28 109.07 2oup n THR 679 Ca 0.20 -1.20 -0.25 0.00 -2.27 0.00 0.00 64.05 60.53 2oup n THR 679 Cb 0.09 0.34 0.14 0.00 -2.10 0.00 0.00 70.33 68.80 2oup n THR 679 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2oup s LYS 680 N -1.38 1.29 0.60 -0.78 -0.14 -1.20 -4.48 119.74 113.65 2oup s LYS 680 Ca 0.22 -1.12 -0.17 0.00 -1.36 0.00 0.00 55.97 53.55 2oup s LYS 680 Cb 0.14 -2.23 -0.03 0.00 -1.68 0.00 0.00 37.83 34.03 2oup s LYS 680 CO 0.11 -1.77 1.10 -0.51 -0.76 0.00 0.00 175.35 173.51 2oup s LEU 681 N -5.34 3.54 0.23 3.17 1.43 -1.26 -4.68 118.68 115.77 2oup s LEU 681 Ca 0.70 2.00 -0.07 0.00 -1.03 0.00 0.00 54.13 55.73 2oup s LEU 681 Cb -0.04 -4.56 0.40 0.00 0.03 0.00 0.00 46.19 42.02 2oup s LEU 681 CO 0.47 -1.37 1.69 -0.25 0.23 0.00 0.00 176.35 177.12 2oup h TRP 682 N 0.52 0.22 -0.41 0.29 2.91 -1.97 -0.25 115.95 117.26 2oup h TRP 682 Ca -0.48 0.04 0.11 0.00 1.13 0.00 0.00 58.89 59.69 2oup h TRP 682 Cb 1.24 0.01 -0.02 0.00 -0.51 0.00 0.00 29.16 29.89 2oup h TRP 682 CO 0.55 -0.08 0.29 -1.35 -1.03 0.00 0.00 178.44 176.82 2oup h PRO 683 N 0.25 0.07 0.00 2.65 0.11 -2.00 0.99 132.00 134.08 2oup h PRO 683 Ca 0.38 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.44 2oup h PRO 683 Cb 0.62 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.71 2oup h PRO 683 CO -0.49 0.05 -0.26 0.28 -0.21 0.00 0.00 178.00 177.38 2oup h VAL 684 N 0.08 1.30 -0.99 3.15 2.07 -1.48 -3.35 116.25 117.03 2oup h VAL 684 Ca 0.20 -2.07 0.04 0.00 0.82 0.00 0.00 66.70 65.69 2oup h VAL 684 Cb 0.68 2.55 -0.06 0.00 -1.52 0.00 0.00 31.29 32.94 2oup h VAL 684 CO -0.02 0.44 0.65 0.74 0.02 0.00 0.00 177.57 179.40 2oup h THR 685 N -1.00 1.17 -0.39 2.57 2.02 -0.78 -2.21 112.91 114.29 2oup h THR 685 Ca -0.06 -0.43 0.08 0.00 0.77 0.00 0.00 66.41 66.76 2oup h THR 685 Cb 0.89 -0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 2oup h THR 685 CO -0.04 0.23 0.27 0.07 0.37 0.00 0.00 175.52 176.42 2oup h LYS 686 N 1.25 0.19 0.00 6.66 2.10 -0.97 -0.60 116.57 125.19 2oup h LYS 686 Ca 0.39 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 59.03 2oup h LYS 686 Cb 0.00 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.29 2oup h LYS 686 CO -0.12 0.12 0.00 1.28 -2.00 0.00 0.00 179.45 178.73 2oup n LEU 687 N -4.46 0.00 -1.28 7.07 4.77 -0.83 -3.04 117.00 119.22 2oup n LEU 687 Ca 0.05 0.45 0.11 0.00 -0.03 0.00 0.00 56.01 56.60 2oup n LEU 687 Cb 0.33 -0.45 0.31 0.00 -2.33 0.00 0.00 43.42 41.27 2oup n LEU 687 CO 0.35 -0.07 0.76 0.35 -1.33 0.00 0.00 177.39 177.44 2oup n THR 688 N -1.45 0.99 -0.35 -5.08 -2.24 -0.23 -4.69 114.28 101.22 2oup n THR 688 Ca 0.07 -0.99 0.25 0.00 -2.27 0.00 0.00 64.05 61.11 2oup n THR 688 Cb 0.26 0.51 0.50 0.00 -2.10 0.00 0.00 70.33 69.51 2oup n THR 688 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2oup h ALA 689 N 4.08 2.16 0.00 6.98 0.00 -1.60 -1.38 119.26 129.50 2oup h ALA 689 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2oup h ALA 689 Cb 0.97 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2oup h ALA 689 CO 0.00 -0.68 0.00 0.09 0.00 0.00 0.00 179.25 178.66 2oup n ASN 690 N -4.81 0.05 -0.21 0.00 3.02 -1.26 -4.23 115.26 107.81 2oup n ASN 690 Ca 0.30 0.50 -0.01 0.00 -0.03 0.00 0.00 54.58 55.34 2oup n ASN 690 Cb 0.98 -0.52 0.10 0.00 -0.61 0.00 0.00 39.78 39.74 2oup n ASN 690 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 2oup h ASP 691 N 0.00 0.43 0.49 6.41 3.32 -1.62 -1.48 116.42 123.98 2oup h ASP 691 Ca 0.00 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.10 2oup h ASP 691 Cb 0.51 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.03 2oup h ASP 691 CO 0.00 0.27 0.00 2.30 -1.72 0.00 0.00 179.24 180.09 2oup n ILE 692 N -4.86 1.05 0.87 0.35 -5.35 -1.26 -2.08 119.36 108.07 2oup n ILE 692 Ca 0.08 0.28 0.10 0.00 -0.27 0.00 0.00 62.75 62.95 2oup n ILE 692 Cb 0.21 -1.10 -0.08 0.00 -1.74 0.00 0.00 39.64 36.93 2oup n ILE 692 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 2oup n TYR 693 N -1.68 0.02 -0.23 4.28 4.02 -0.58 -4.62 117.16 118.37 2oup n TYR 693 Ca 0.03 0.01 0.00 0.00 -0.01 0.00 0.00 57.90 57.92 2oup n TYR 693 Cb 0.16 -0.11 0.07 0.00 -0.02 0.00 0.00 39.34 39.45 2oup n TYR 693 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2oup h ALA 694 N 2.87 0.45 -0.24 -0.72 0.00 -1.10 -0.12 119.26 120.39 2oup h ALA 694 Ca 0.00 0.26 -0.13 0.00 0.00 0.00 0.00 54.91 55.04 2oup h ALA 694 Cb 0.57 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 2oup h ALA 694 CO 0.00 -0.42 -0.38 0.93 0.00 0.00 0.00 179.25 179.38 2oup h GLU 695 N 0.00 0.56 -0.41 0.00 5.08 -1.81 -0.52 114.58 117.48 2oup h GLU 695 Ca 0.32 -0.27 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 2oup h GLU 695 Cb 0.50 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 2oup h GLU 695 CO -0.68 0.85 0.08 0.74 -1.00 0.00 0.00 179.01 178.99 2oup h PHE 696 N 0.46 0.70 0.00 4.33 0.04 -1.61 -1.92 116.94 118.94 2oup h PHE 696 Ca 0.04 -0.09 -0.08 0.00 2.80 0.00 0.00 57.97 60.64 2oup h PHE 696 Cb 0.87 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 38.82 2oup h PHE 696 CO 0.03 0.68 -0.38 -1.49 -0.60 0.00 0.00 178.31 176.56 2oup h TRP 697 N 0.52 0.00 -0.34 -0.55 6.55 -0.89 -1.12 115.95 120.12 2oup h TRP 697 Ca 0.12 0.00 -0.11 0.00 0.95 0.00 0.00 58.89 59.85 2oup h TRP 697 Cb 0.35 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.64 2oup h TRP 697 CO 0.02 0.38 -0.23 0.00 -1.05 0.00 0.00 178.44 177.56 2oup h ALA 698 N 1.62 0.49 -0.31 1.49 0.00 -0.85 0.54 119.26 122.25 2oup h ALA 698 Ca -0.00 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 2oup h ALA 698 Cb 0.83 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2oup h ALA 698 CO 0.05 0.47 0.11 1.49 0.00 0.00 0.00 179.25 181.37 2oup h GLU 699 N 0.54 0.48 -1.00 0.00 4.81 -1.09 -2.40 114.58 115.93 2oup h GLU 699 Ca 0.07 -0.10 0.05 0.00 -0.13 0.00 0.00 59.36 59.25 2oup h GLU 699 Cb 0.79 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 30.04 2oup h GLU 699 CO 0.06 0.51 0.65 0.78 -0.73 0.00 0.00 179.01 180.28 2oup h GLY 700 N 0.35 1.48 1.24 1.92 0.00 -1.07 -1.55 103.07 105.46 2oup h GLY 700 Ca 0.10 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 2oup h GLY 700 CO -0.01 0.39 0.41 -0.55 0.00 0.00 0.00 176.54 176.78 2oup h ASP 701 N 1.22 0.89 0.02 0.19 3.32 -0.60 -0.22 116.42 121.24 2oup h ASP 701 Ca 0.41 -0.06 -0.10 0.00 0.02 0.00 0.00 57.03 57.29 2oup h ASP 701 Cb 0.07 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 2oup h ASP 701 CO -0.14 0.71 -0.31 -0.33 -1.72 0.00 0.00 179.24 177.44 2oup h GLU 702 N 1.01 0.43 -0.41 3.56 4.39 -0.82 -2.06 114.58 120.68 2oup h GLU 702 Ca 0.26 -0.18 -0.08 0.00 0.34 0.00 0.00 59.36 59.70 2oup h GLU 702 Cb 0.01 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 2oup h GLU 702 CO -0.04 0.70 -0.04 0.52 -1.16 0.00 0.00 179.01 178.99 2oup h MET 703 N 0.37 0.76 -0.52 2.33 2.86 -0.45 -2.83 114.93 117.44 2oup h MET 703 Ca 0.05 -0.26 0.03 0.00 -2.06 0.00 0.00 59.70 57.46 2oup h MET 703 Cb 0.74 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.31 2oup h MET 703 CO 0.06 0.86 0.35 0.87 1.06 0.00 0.00 176.91 180.10 2oup h LYS 704 N 0.58 0.58 0.00 1.72 1.57 -0.69 0.48 116.57 120.81 2oup h LYS 704 Ca 0.11 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2oup h LYS 704 Cb 0.54 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.72 2oup h LYS 704 CO 0.03 0.38 0.00 1.63 -0.57 0.00 0.00 179.45 180.92 2oup n LYS 705 N -4.47 0.19 -0.21 3.15 5.02 -0.81 -0.95 118.16 120.07 2oup n LYS 705 Ca 0.06 0.45 0.11 0.00 -2.02 0.00 0.00 58.31 56.91 2oup n LYS 705 Cb 0.14 -1.88 0.27 0.00 -0.02 0.00 0.00 35.03 33.54 2oup n LYS 705 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2oup n LEU 706 N -2.23 3.00 0.00 -0.35 4.77 0.11 -4.91 117.00 117.39 2oup n LEU 706 Ca 0.02 -1.37 0.00 0.00 -0.03 0.00 0.00 56.01 54.62 2oup n LEU 706 Cb 0.20 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 2oup n LEU 706 CO 0.18 0.69 0.00 0.61 -1.33 0.00 0.00 177.39 177.54 2oup n GLY 707 N 1.41 0.50 3.44 -0.72 0.00 -0.13 -5.03 105.19 104.67 2oup n GLY 707 Ca 0.19 -0.40 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 2oup n GLY 707 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2oup s ILE 708 N -2.00 4.30 -0.28 -0.61 1.01 -0.88 -4.99 121.20 117.75 2oup s ILE 708 Ca 0.00 -0.17 -0.29 0.00 0.00 0.00 0.00 60.65 60.19 2oup s ILE 708 Cb 0.00 -3.01 0.00 0.00 0.01 0.00 0.00 42.46 39.46 2oup s ILE 708 CO 0.00 0.34 1.25 -1.58 0.00 0.00 0.00 174.94 174.95 2oup s GLN 709 N 1.61 4.00 0.87 2.79 2.00 -1.26 -2.71 119.66 126.96 2oup s GLN 709 Ca 0.06 1.29 -0.12 0.00 -2.00 0.00 0.00 55.36 54.59 2oup s GLN 709 Cb -0.15 -3.83 0.12 0.00 0.80 0.00 0.00 33.01 29.94 2oup s GLN 709 CO 0.04 -1.01 1.10 -1.25 -0.50 0.00 0.00 175.29 173.67 2oup s PRO 710 N 3.96 1.44 0.69 1.67 0.04 -1.26 -5.00 135.00 136.54 2oup s PRO 710 Ca 0.54 0.65 -0.17 0.00 0.04 0.00 0.00 61.00 62.07 2oup s PRO 710 Cb -0.17 -1.84 0.01 0.00 0.04 0.00 0.00 34.50 32.54 2oup s PRO 710 CO 0.20 -2.07 1.25 0.96 0.04 0.00 0.00 177.00 177.38 2oup s ILE 711 N -3.06 2.16 0.32 0.56 -4.36 -1.26 -4.76 121.20 110.79 2oup s ILE 711 Ca 0.63 0.09 0.09 0.00 -0.26 0.00 0.00 60.65 61.20 2oup s ILE 711 Cb -0.16 -2.85 0.32 0.00 1.25 0.00 0.00 42.46 41.01 2oup s ILE 711 CO 0.56 -0.03 1.67 -0.65 0.24 0.00 0.00 174.94 176.73 2oup h PRO 712 N 0.13 0.33 0.00 0.37 0.11 -1.94 -1.47 132.00 129.53 2oup h PRO 712 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2oup h PRO 712 Cb 1.32 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2oup h PRO 712 CO 0.51 0.22 0.00 0.00 -0.21 0.00 0.00 178.00 178.52 2oup h MET 713 N 0.34 0.00 -0.41 1.05 -0.00 -1.93 -1.40 114.93 112.57 2oup h MET 713 Ca 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 60.35 2oup h MET 713 Cb 1.39 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.99 2oup h MET 713 CO -0.59 0.00 0.00 -1.33 -0.00 0.00 0.00 176.91 174.99 2oup n MET 714 N -2.75 2.62 -3.43 -0.10 2.81 -0.56 -4.63 117.12 111.08 2oup n MET 714 Ca -0.01 -2.14 -0.43 0.00 -1.81 0.00 0.00 57.70 53.31 2oup n MET 714 Cb 0.16 -1.35 -0.09 0.00 -0.71 0.00 0.00 33.22 31.22 2oup n MET 714 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2oup s ASP 715 N -1.03 6.13 0.54 7.83 -1.08 -0.53 -3.60 116.67 124.93 2oup s ASP 715 Ca 0.30 -1.03 0.29 0.00 -0.52 0.00 0.00 52.55 51.58 2oup s ASP 715 Cb 0.16 -2.17 1.45 0.00 -1.46 0.00 0.00 42.92 40.90 2oup s ASP 715 CO 0.21 -0.53 1.93 -0.09 0.52 0.00 0.00 175.17 177.21 2oup h ARG 716 N 8.68 0.00 0.00 4.34 2.43 -1.86 0.47 114.38 128.44 2oup h ARG 716 Ca -0.27 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.90 2oup h ARG 716 Cb 1.12 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.67 2oup h ARG 716 CO 0.79 0.00 0.00 -0.25 -1.51 0.00 0.00 179.97 179.00 2oup n ASP 717 N -4.24 0.48 -4.28 -3.80 8.00 -1.26 -4.44 116.55 107.01 2oup n ASP 717 Ca 0.14 0.58 -0.45 0.00 0.71 0.00 0.00 54.79 55.78 2oup n ASP 717 Cb 0.80 -0.70 -0.05 0.00 -0.02 0.00 0.00 41.12 41.15 2oup n ASP 717 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2oup s LYS 718 N -3.15 3.05 0.00 -1.24 -0.14 0.15 -4.87 119.74 113.55 2oup s LYS 718 Ca 0.08 -2.00 0.03 0.00 -1.36 0.00 0.00 55.97 52.73 2oup s LYS 718 Cb 0.12 -4.23 0.06 0.00 -1.68 0.00 0.00 37.83 32.10 2oup s LYS 718 CO 0.45 -1.28 0.85 1.63 -0.76 0.00 0.00 175.35 176.23 2oup n LYS 719 N 4.69 1.26 0.18 1.68 5.02 -1.26 -4.72 118.16 125.01 2oup n LYS 719 Ca -0.03 -1.20 0.06 0.00 -2.02 0.00 0.00 58.31 55.12 2oup n LYS 719 Cb 0.42 -1.08 0.56 0.00 -0.02 0.00 0.00 35.03 34.92 2oup n LYS 719 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2oup h ASP 720 N 0.66 0.14 -0.65 4.39 3.32 -1.98 -2.56 116.42 119.75 2oup h ASP 720 Ca 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 2oup h ASP 720 Cb 0.36 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.88 2oup h ASP 720 CO 0.00 0.12 0.00 -0.62 -1.72 0.00 0.00 179.24 177.02 2oup n GLU 721 N -4.50 2.68 -0.33 3.56 4.71 -1.26 -4.47 120.64 121.03 2oup n GLU 721 Ca -0.01 -2.41 0.02 0.00 -0.01 0.00 0.00 57.16 54.75 2oup n GLU 721 Cb 0.10 -1.57 0.17 0.00 -1.01 0.00 0.00 31.44 29.13 2oup n GLU 721 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 2oup h VAL 722 N 3.83 1.02 -0.72 2.62 2.07 -1.78 -0.26 116.25 123.03 2oup h VAL 722 Ca 0.00 -0.35 -0.05 0.00 0.82 0.00 0.00 66.70 67.12 2oup h VAL 722 Cb 0.96 -0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 2oup h VAL 722 CO 0.04 0.19 0.24 -0.65 0.02 0.00 0.00 177.57 177.40 2oup h PRO 723 N 1.02 1.10 -0.58 1.57 0.11 -1.82 -0.57 132.00 132.83 2oup h PRO 723 Ca 0.41 -0.22 -0.07 0.00 0.11 0.00 0.00 66.00 66.23 2oup h PRO 723 Cb 0.24 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.15 2oup h PRO 723 CO -0.19 0.93 0.07 1.96 -0.21 0.00 0.00 178.00 180.56 2oup h GLN 724 N 1.06 0.94 -0.78 1.05 4.20 -1.69 -1.78 115.11 118.13 2oup h GLN 724 Ca 0.24 -0.24 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 2oup h GLN 724 Cb 0.28 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 27.90 2oup h GLN 724 CO -0.01 0.89 0.42 0.78 -0.67 0.00 0.00 178.83 180.24 2oup h GLY 725 N 1.01 1.16 0.94 3.46 0.00 -0.38 -1.73 103.07 107.54 2oup h GLY 725 Ca 0.18 -0.53 -0.00 0.00 0.00 0.00 0.00 47.33 46.97 2oup h GLY 725 CO 0.01 0.51 0.08 1.46 0.00 0.00 0.00 176.54 178.60 2oup h GLN 726 N 1.08 0.19 -0.84 4.80 1.08 -0.61 -0.98 115.11 119.83 2oup h GLN 726 Ca 0.27 -0.02 0.06 0.00 -1.45 0.00 0.00 58.65 57.51 2oup h GLN 726 Cb 0.04 -0.04 -0.06 0.00 -0.05 0.00 0.00 27.48 27.37 2oup h GLN 726 CO -0.04 0.20 0.52 1.25 -0.95 0.00 0.00 178.83 179.81 2oup h LEU 727 N 0.13 0.81 -0.54 1.46 6.46 -1.06 0.37 115.31 122.95 2oup h LEU 727 Ca 0.05 0.02 -0.05 0.00 -0.12 0.00 0.00 57.88 57.78 2oup h LEU 727 Cb 0.06 -0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 39.82 2oup h LEU 727 CO -0.01 0.52 0.15 1.23 -0.62 0.00 0.00 178.44 179.72 2oup h GLY 728 N 0.95 0.91 1.06 3.75 0.00 -1.06 -2.11 103.07 106.56 2oup h GLY 728 Ca 0.36 -0.55 -0.06 0.00 0.00 0.00 0.00 47.33 47.08 2oup h GLY 728 CO -0.17 0.51 0.19 -2.75 0.00 0.00 0.00 176.54 174.32 2oup h PHE 729 N 0.75 1.17 -0.54 5.60 3.57 -0.25 -0.18 116.94 127.06 2oup h PHE 729 Ca 0.17 -0.13 -0.05 0.00 3.53 0.00 0.00 57.97 61.49 2oup h PHE 729 Cb 0.30 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 2oup h PHE 729 CO 0.02 0.94 0.13 1.88 -2.23 0.00 0.00 178.31 179.05 2oup h TYR 730 N 1.06 0.91 -0.06 0.41 -1.99 -0.82 0.55 116.97 117.02 2oup h TYR 730 Ca 0.22 -0.11 -0.19 0.00 2.00 0.00 0.00 58.73 60.65 2oup h TYR 730 Cb 0.35 -0.26 -0.00 0.00 2.00 0.00 0.00 36.73 38.82 2oup h TYR 730 CO 0.03 0.79 -0.77 -0.91 -0.00 0.00 0.00 178.16 177.30 2oup h ASN 731 N 0.76 0.47 0.63 3.88 2.35 -1.15 0.16 115.58 122.67 2oup h ASN 731 Ca 0.17 -0.32 -0.27 0.00 -0.55 0.00 0.00 56.30 55.32 2oup h ASN 731 Cb 0.34 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.54 2oup h ASN 731 CO 0.00 1.08 -1.46 0.00 -1.65 0.00 0.00 177.43 175.40 2oup h ALA 732 N 0.91 0.51 0.00 -0.83 0.00 -1.00 -3.42 119.26 115.43 2oup h ALA 732 Ca -0.04 -1.21 0.00 0.00 0.00 0.00 0.00 54.91 53.66 2oup h ALA 732 Cb 1.36 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.39 2oup h ALA 732 CO 0.13 1.37 -0.25 0.28 0.00 0.00 0.00 179.25 180.78 2oup n VAL 733 N -3.25 0.82 -0.01 0.00 0.31 0.13 -4.80 118.33 111.54 2oup n VAL 733 Ca -0.12 0.27 -0.12 0.00 -0.01 0.00 0.00 64.34 64.36 2oup n VAL 733 Cb 1.01 -1.48 -0.07 0.00 -0.91 0.00 0.00 33.84 32.39 2oup n VAL 733 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2oup h ALA 734 N 0.00 0.07 -0.28 3.52 0.00 -1.32 -2.60 119.26 118.65 2oup h ALA 734 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2oup h ALA 734 Cb 0.25 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2oup h ALA 734 CO 0.00 -0.31 0.18 0.82 0.00 0.00 0.00 179.25 179.94 2oup h ILE 735 N -0.13 1.06 -0.83 0.00 1.08 -0.95 -1.67 117.51 116.07 2oup h ILE 735 Ca 0.02 -0.13 -0.01 0.00 -0.39 0.00 0.00 64.86 64.35 2oup h ILE 735 Cb 0.24 0.66 -0.04 0.00 -3.07 0.00 0.00 36.82 34.61 2oup h ILE 735 CO 0.00 0.07 0.49 -0.65 -0.69 0.00 0.00 178.15 177.37 2oup h PRO 736 N 0.37 1.13 0.53 2.37 0.11 -1.78 -0.25 132.00 134.48 2oup h PRO 736 Ca 0.10 -0.10 -0.02 0.00 0.11 0.00 0.00 66.00 66.09 2oup h PRO 736 Cb -0.04 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 30.83 2oup h PRO 736 CO -0.03 0.80 -0.34 0.00 -0.21 0.00 0.00 178.00 178.22 2oup h TYR 738 N -0.83 0.00 0.02 0.00 -1.99 -1.22 -1.28 116.97 111.67 2oup h TYR 738 Ca -0.06 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.67 2oup h TYR 738 Cb 0.68 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.41 2oup h TYR 738 CO -0.11 0.25 -0.01 1.15 -0.00 0.00 0.00 178.16 179.45 2oup h THR 739 N 0.00 1.26 -0.46 -2.88 2.02 -0.81 -0.69 112.91 111.35 2oup h THR 739 Ca -0.00 -0.84 -0.10 0.00 0.77 0.00 0.00 66.41 66.23 2oup h THR 739 Cb 0.68 1.82 -0.02 0.00 -1.74 0.00 0.00 68.15 68.89 2oup h THR 739 CO 0.03 0.22 -0.12 0.74 0.37 0.00 0.00 175.52 176.76 2oup h THR 740 N -0.39 1.26 -0.77 3.16 2.02 -1.17 -2.17 112.91 114.85 2oup h THR 740 Ca -0.00 -1.21 -0.04 0.00 0.77 0.00 0.00 66.41 65.92 2oup h THR 740 Cb 0.37 1.03 -0.03 0.00 -1.74 0.00 0.00 68.15 67.78 2oup h THR 740 CO 0.00 0.42 0.32 0.25 0.37 0.00 0.00 175.52 176.88 2oup h LEU 741 N 0.76 1.05 -1.07 2.58 5.85 -1.18 -2.21 115.31 121.08 2oup h LEU 741 Ca 0.12 -0.15 -0.09 0.00 0.84 0.00 0.00 57.88 58.60 2oup h LEU 741 Cb 0.63 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 2oup h LEU 741 CO 0.04 0.92 -0.33 0.74 -0.34 0.00 0.00 178.44 179.48 2oup h THR 742 N 1.12 1.27 -0.43 1.05 2.02 -0.84 0.28 112.91 117.38 2oup h THR 742 Ca 0.26 -1.31 -0.13 0.00 0.77 0.00 0.00 66.41 66.00 2oup h THR 742 Cb 0.20 1.55 -0.01 0.00 -1.74 0.00 0.00 68.15 68.14 2oup h THR 742 CO -0.02 0.39 -0.25 1.56 0.37 0.00 0.00 175.52 177.57 2oup h GLN 743 N 0.21 0.93 0.15 6.66 4.20 -0.93 -2.50 115.11 123.82 2oup h GLN 743 Ca 0.03 -0.43 -0.31 0.00 0.06 0.00 0.00 58.65 58.01 2oup h GLN 743 Cb 0.69 -0.02 0.03 0.00 0.30 0.00 0.00 27.48 28.48 2oup h GLN 743 CO 0.05 1.08 -1.29 0.82 -0.67 0.00 0.00 178.83 178.82 2oup h ILE 744 N 0.76 1.29 -3.00 2.54 2.04 -1.19 -3.39 117.51 116.54 2oup h ILE 744 Ca 0.09 -2.51 -0.62 0.00 1.00 0.00 0.00 64.86 62.82 2oup h ILE 744 Cb 0.83 2.79 -0.41 0.00 -0.74 0.00 0.00 36.82 39.30 2oup h ILE 744 CO 0.07 0.76 -0.68 -0.76 0.00 0.00 0.00 178.15 177.54 2oup s LEU 745 N -7.82 3.75 0.43 1.44 1.43 0.97 -5.00 118.68 113.88 2oup s LEU 745 Ca -0.09 -3.32 0.24 0.00 -1.03 0.00 0.00 54.13 49.92 2oup s LEU 745 Cb 0.05 -1.32 1.25 0.00 0.03 0.00 0.00 46.19 46.20 2oup s LEU 745 CO 0.93 -0.16 1.75 -0.65 0.23 0.00 0.00 176.35 178.45 2oup h PRO 746 N 5.91 0.25 0.00 1.29 0.11 -1.66 -0.46 132.00 137.44 2oup h PRO 746 Ca 0.09 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.19 2oup h PRO 746 Cb 0.84 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.89 2oup h PRO 746 CO 0.61 0.17 0.00 -2.30 -0.21 0.00 0.00 178.00 176.27 2oup n PRO 747 N -4.55 0.07 -0.04 1.05 -0.02 -1.26 -1.64 135.00 128.61 2oup n PRO 747 Ca 0.27 0.47 0.11 0.00 -2.02 0.00 0.00 63.50 62.33 2oup n PRO 747 Cb 1.05 -1.68 0.50 0.00 -0.02 0.00 0.00 33.50 33.34 2oup n PRO 747 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2oup n THR 748 N -1.83 0.10 -0.37 3.45 -2.24 -0.18 -4.42 114.28 108.79 2oup n THR 748 Ca 0.01 -0.21 0.28 0.00 -2.27 0.00 0.00 64.05 61.86 2oup n THR 748 Cb 0.09 0.16 0.56 0.00 -2.10 0.00 0.00 70.33 69.03 2oup n THR 748 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2oup h GLU 749 N 1.50 0.25 -0.34 -0.78 4.81 -1.49 -0.78 114.58 117.75 2oup h GLU 749 Ca 0.00 -0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.31 2oup h GLU 749 Cb 0.33 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 2oup h GLU 749 CO 0.00 0.17 0.30 -1.35 -0.73 0.00 0.00 179.01 177.39 2oup h PRO 750 N 0.26 0.00 -0.42 0.92 0.11 -1.87 -0.92 132.00 130.08 2oup h PRO 750 Ca 0.70 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.72 2oup h PRO 750 Cb 1.95 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 33.04 2oup h PRO 750 CO -0.39 0.00 -0.11 -0.07 -0.21 0.00 0.00 178.00 177.22 2oup h LEU 751 N 0.00 0.82 -0.49 2.35 3.38 -1.49 -1.58 115.31 118.30 2oup h LEU 751 Ca 0.16 -0.37 -0.10 0.00 0.09 0.00 0.00 57.88 57.67 2oup h LEU 751 Cb 0.75 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 2oup h LEU 751 CO -0.00 1.00 -0.07 0.25 0.09 0.00 0.00 178.44 179.70 2oup h LEU 752 N 0.64 0.91 -0.14 1.67 5.85 -1.33 -1.51 115.31 121.39 2oup h LEU 752 Ca 0.11 -0.34 0.00 0.00 0.84 0.00 0.00 57.88 58.49 2oup h LEU 752 Cb 0.64 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 2oup h LEU 752 CO 0.04 1.04 0.08 0.50 -0.34 0.00 0.00 178.44 179.76 2oup h LYS 753 N 0.76 0.17 -0.60 1.25 3.64 -1.26 -0.26 116.57 120.26 2oup h LYS 753 Ca 0.13 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.44 2oup h LYS 753 Cb 0.61 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.37 2oup h LYS 753 CO 0.04 0.11 0.13 0.00 -2.27 0.00 0.00 179.45 177.46 2oup h ALA 754 N 1.06 1.10 -0.26 5.00 0.00 -1.22 -0.33 119.26 124.61 2oup h ALA 754 Ca 0.05 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2oup h ALA 754 Cb -0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2oup h ALA 754 CO -0.02 0.60 0.11 0.00 0.00 0.00 0.00 179.25 179.93 2oup h ARG 756 N 0.27 0.96 -0.48 0.00 3.08 -0.73 -0.74 114.38 116.74 2oup h ARG 756 Ca 0.09 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 2oup h ARG 756 Cb 0.17 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 2oup h ARG 756 CO -0.01 0.77 0.21 -0.44 -1.07 0.00 0.00 179.97 179.43 2oup h ASP 757 N 0.94 0.65 0.06 7.04 3.32 -0.73 -2.56 116.42 125.14 2oup h ASP 757 Ca 0.22 -0.15 -0.09 0.00 0.02 0.00 0.00 57.03 57.03 2oup h ASP 757 Cb 0.16 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 2oup h ASP 757 CO -0.02 0.63 -0.27 0.78 -1.72 0.00 0.00 179.24 178.63 2oup h ASN 758 N 0.64 0.35 -0.67 6.45 2.35 -0.78 -2.63 115.58 121.28 2oup h ASN 758 Ca 0.16 -0.11 0.01 0.00 -0.55 0.00 0.00 56.30 55.81 2oup h ASN 758 Cb 0.17 -0.09 -0.04 0.00 0.05 0.00 0.00 38.32 38.41 2oup h ASN 758 CO -0.02 0.62 0.44 0.25 -1.65 0.00 0.00 177.43 177.07 2oup h LEU 759 N 0.31 0.75 -1.34 1.61 6.46 -0.86 -0.76 115.31 121.48 2oup h LEU 759 Ca 0.05 -0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 57.76 2oup h LEU 759 Cb 0.64 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.38 2oup h LEU 759 CO 0.05 0.53 0.11 0.28 -0.62 0.00 0.00 178.44 178.79 2oup h SER 760 N 0.88 0.51 -0.40 1.25 0.02 -1.12 -1.64 113.55 113.06 2oup h SER 760 Ca 0.25 -0.07 -0.14 0.00 -0.84 0.00 0.00 61.79 61.00 2oup h SER 760 Cb -0.06 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.34 2oup h SER 760 CO -0.07 0.50 -0.29 1.56 -1.14 0.00 0.00 176.83 177.39 2oup h GLN 761 N 0.55 0.90 -0.34 3.45 1.08 -0.99 -2.43 115.11 117.33 2oup h GLN 761 Ca 0.13 -0.43 -0.04 0.00 -1.45 0.00 0.00 58.65 56.85 2oup h GLN 761 Cb 0.19 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.60 2oup h GLN 761 CO -0.01 1.09 0.04 -1.49 -0.95 0.00 0.00 178.83 177.51 2oup h TRP 762 N 0.72 0.53 -0.58 2.96 4.06 -0.67 -1.62 115.95 121.34 2oup h TRP 762 Ca 0.08 -0.04 -0.02 0.00 2.06 0.00 0.00 58.89 60.97 2oup h TRP 762 Cb 0.87 -0.16 -0.03 0.00 -1.00 0.00 0.00 29.16 28.85 2oup h TRP 762 CO 0.06 0.50 0.30 0.93 -3.56 0.00 0.00 178.44 176.67 2oup h GLU 763 N 0.50 0.82 -0.76 0.49 5.08 -1.01 -1.10 114.58 118.60 2oup h GLU 763 Ca 0.11 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2oup h GLU 763 Cb 0.27 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 2oup h GLU 763 CO 0.00 0.65 0.42 0.87 -1.00 0.00 0.00 179.01 179.95 2oup h LYS 764 N 0.78 1.05 -0.47 2.33 1.57 -0.90 -0.86 116.57 120.07 2oup h LYS 764 Ca 0.20 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 2oup h LYS 764 Cb 0.08 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 2oup h LYS 764 CO -0.03 0.78 0.17 0.28 -0.57 0.00 0.00 179.45 180.08 2oup h VAL 765 N 1.05 1.22 -0.84 0.50 2.07 -0.98 0.44 116.25 119.70 2oup h VAL 765 Ca 0.27 -0.70 -0.03 0.00 0.82 0.00 0.00 66.70 67.05 2oup h VAL 765 Cb 0.03 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 2oup h VAL 765 CO -0.04 0.26 0.41 0.40 0.02 0.00 0.00 177.57 178.62 2oup h ILE 766 N 0.63 1.26 0.00 4.57 2.04 -0.87 -1.59 117.51 123.55 2oup h ILE 766 Ca 0.15 -0.70 0.00 0.00 1.00 0.00 0.00 64.86 65.31 2oup h ILE 766 Cb 0.24 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.50 2oup h ILE 766 CO -0.01 0.30 0.00 0.54 0.00 0.00 0.00 178.15 178.98 2oup n ARG 767 N -4.33 0.26 -1.45 2.37 1.74 -0.36 -4.90 116.66 109.99 2oup n ARG 767 Ca 0.08 0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.20 2oup n ARG 767 Cb 0.13 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.07 2oup n ARG 767 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2oup n GLY 768 N 1.03 0.52 0.29 -0.13 0.00 -0.45 -4.99 105.19 101.47 2oup n GLY 768 Ca 0.11 -0.85 -0.03 0.00 0.00 0.00 0.00 46.02 45.24 2oup n GLY 768 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2oup n GLU 769 N -1.68 0.18 -0.11 1.61 1.02 0.14 -5.00 120.64 116.80 2oup n GLU 769 Ca 0.00 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 2oup n GLU 769 Cb 0.28 -0.75 0.00 0.00 -0.02 0.00 0.00 31.44 30.96 2oup n GLU 769 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46