#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ouq s HIS 447 N 0.00 2.17 -0.18 7.33 5.65 -1.26 -5.12 115.29 123.88 2ouq s HIS 447 Ca 0.00 -0.66 -0.05 0.00 0.25 0.00 0.00 55.06 54.60 2ouq s HIS 447 Cb 0.00 -1.44 -0.03 0.00 -1.18 0.00 0.00 32.58 29.93 2ouq s HIS 447 CO 0.00 -0.21 0.00 -1.64 -0.65 0.00 0.00 174.74 172.24 2ouq s MET 448 N -0.05 3.73 0.62 2.88 1.00 -1.26 -5.10 119.30 121.11 2ouq s MET 448 Ca -0.05 -0.48 -0.15 0.00 0.00 0.00 0.00 55.69 55.01 2ouq s MET 448 Cb -0.13 -3.04 -0.02 0.00 0.00 0.00 0.00 34.83 31.63 2ouq s MET 448 CO 0.03 0.17 1.07 -1.12 0.00 0.00 0.00 175.02 175.17 2ouq s SER 449 N 0.59 5.57 0.22 3.03 0.01 -1.26 -5.06 113.70 116.80 2ouq s SER 449 Ca -0.01 1.85 0.06 0.00 1.31 0.00 0.00 55.95 59.17 2ouq s SER 449 Cb -0.14 -2.54 -0.05 0.00 0.21 0.00 0.00 66.02 63.51 2ouq s SER 449 CO 0.02 -1.31 -0.09 0.27 0.41 0.00 0.00 173.24 172.54 2ouq s ILE 450 N -2.46 1.52 0.71 1.44 -4.36 -1.26 -4.80 121.20 111.98 2ouq s ILE 450 Ca 0.64 -2.14 -0.09 0.00 -0.26 0.00 0.00 60.65 58.80 2ouq s ILE 450 Cb -0.17 -2.18 0.04 0.00 1.25 0.00 0.00 42.46 41.40 2ouq s ILE 450 CO 0.39 -0.49 1.05 0.00 0.24 0.00 0.00 174.94 176.14 2ouq s THR 452 N -3.30 3.06 0.15 0.00 -4.23 -1.26 -4.97 115.64 105.09 2ouq s THR 452 Ca 0.59 -0.61 -0.15 0.00 -1.18 0.00 0.00 61.69 60.34 2ouq s THR 452 Cb -0.11 -3.14 0.02 0.00 1.34 0.00 0.00 72.50 70.61 2ouq s THR 452 CO 0.47 -0.10 1.78 0.28 -0.54 0.00 0.00 174.62 176.51 2ouq h SER 453 N 0.16 0.54 -0.99 3.99 0.02 -2.00 -2.45 113.55 112.82 2ouq h SER 453 Ca -0.43 -0.06 0.10 0.00 -0.84 0.00 0.00 61.79 60.56 2ouq h SER 453 Cb 1.28 -0.14 -0.08 0.00 0.14 0.00 0.00 62.40 63.61 2ouq h SER 453 CO 0.54 0.45 0.62 -0.33 -1.14 0.00 0.00 176.83 176.96 2ouq h GLU 454 N 0.59 0.99 0.75 3.45 5.08 -1.98 -1.33 114.58 122.13 2ouq h GLU 454 Ca 0.16 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 2ouq h GLU 454 Cb 0.01 -0.22 0.01 0.00 0.50 0.00 0.00 28.75 29.04 2ouq h GLU 454 CO -0.03 0.66 -0.36 0.93 -1.00 0.00 0.00 179.01 179.21 2ouq h GLU 455 N 1.02 -0.97 0.00 2.33 5.08 -1.83 -0.52 114.58 119.69 2ouq h GLU 455 Ca 0.47 0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.86 2ouq h GLU 455 Cb 0.39 0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 2ouq h GLU 455 CO -0.24 -0.65 -0.19 0.11 -1.00 0.00 0.00 179.01 177.05 2ouq h TRP 456 N -1.03 0.00 -0.53 4.33 5.08 -1.44 -2.34 115.95 120.02 2ouq h TRP 456 Ca -0.10 0.00 -0.12 0.00 1.08 0.00 0.00 58.89 59.74 2ouq h TRP 456 Cb 0.77 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.91 2ouq h TRP 456 CO 0.05 0.19 -0.15 1.96 -1.28 0.00 0.00 178.44 179.21 2ouq h GLN 457 N 0.00 1.03 -0.62 0.12 4.20 -1.17 -1.83 115.11 116.85 2ouq h GLN 457 Ca -0.00 -0.41 -0.05 0.00 0.06 0.00 0.00 58.65 58.25 2ouq h GLN 457 Cb 0.33 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.03 2ouq h GLN 457 CO 0.02 1.10 0.17 0.78 -0.67 0.00 0.00 178.83 180.23 2ouq h GLY 458 N 0.90 1.03 1.18 3.46 0.00 -0.58 -2.63 103.07 106.42 2ouq h GLY 458 Ca 0.13 -0.60 -0.08 0.00 0.00 0.00 0.00 47.33 46.78 2ouq h GLY 458 CO 0.06 0.56 0.08 -2.00 0.00 0.00 0.00 176.54 175.24 2ouq h LEU 459 N 0.92 0.96 -2.30 3.11 5.85 -1.18 -2.49 115.31 120.18 2ouq h LEU 459 Ca 0.20 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.69 2ouq h LEU 459 Cb 0.30 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.08 2ouq h LEU 459 CO -0.00 0.97 0.00 0.24 -0.34 0.00 0.00 178.44 179.31 2ouq h MET 460 N 0.94 0.00 -0.30 1.25 2.86 -0.96 -1.71 114.93 117.01 2ouq h MET 460 Ca 0.19 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 2ouq h MET 460 Cb 0.43 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.09 2ouq h MET 460 CO 0.01 0.00 0.00 1.04 1.06 0.00 0.00 176.91 179.02 2ouq n GLN 461 N -4.10 2.10 -2.87 1.72 6.02 -0.95 -4.94 117.38 114.37 2ouq n GLN 461 Ca -0.03 -1.67 -0.40 0.00 -0.01 0.00 0.00 57.00 54.89 2ouq n GLN 461 Cb 0.08 -1.44 -0.06 0.00 1.02 0.00 0.00 30.24 29.84 2ouq n GLN 461 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 2ouq s PHE 462 N -1.61 3.95 -0.07 1.08 5.36 -0.64 -5.06 117.98 120.98 2ouq s PHE 462 Ca 0.35 1.78 -0.00 0.00 -0.96 0.00 0.00 56.93 58.10 2ouq s PHE 462 Cb 0.19 -2.87 0.02 0.00 -0.34 0.00 0.00 43.02 40.03 2ouq s PHE 462 CO 0.28 0.49 -0.04 0.99 -1.46 0.00 0.00 175.22 175.48 2ouq s THR 463 N -1.17 0.61 0.18 0.12 2.01 -1.26 -5.06 115.64 111.07 2ouq s THR 463 Ca 0.38 -0.09 -0.31 0.00 0.31 0.00 0.00 61.69 61.98 2ouq s THR 463 Cb -0.25 -0.68 -0.10 0.00 0.01 0.00 0.00 72.50 71.49 2ouq s THR 463 CO 0.29 0.27 1.56 -0.22 -0.69 0.00 0.00 174.62 175.84 2ouq s LEU 464 N 1.43 4.37 0.32 4.42 2.96 -1.26 -4.93 118.68 125.99 2ouq s LEU 464 Ca -0.02 2.64 -0.29 0.00 -0.22 0.00 0.00 54.13 56.23 2ouq s LEU 464 Cb -0.13 -3.60 -0.11 0.00 0.50 0.00 0.00 46.19 42.84 2ouq s LEU 464 CO -0.03 -0.82 1.57 -2.65 -1.32 0.00 0.00 176.35 173.09 2ouq n PRO 465 N 3.76 2.71 -0.03 0.98 -0.02 -1.26 -4.87 135.00 136.26 2ouq n PRO 465 Ca 0.13 0.96 0.14 0.00 -2.02 0.00 0.00 63.50 62.71 2ouq n PRO 465 Cb 0.38 -2.73 0.57 0.00 -0.02 0.00 0.00 33.50 31.71 2ouq n PRO 465 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 2ouq h VAL 466 N 3.23 0.85 0.00 -1.45 3.04 -2.03 -1.53 116.25 118.36 2ouq h VAL 466 Ca -0.48 -0.09 0.00 0.00 -1.01 0.00 0.00 66.70 65.12 2ouq h VAL 466 Cb 1.23 0.58 0.00 0.00 -2.01 0.00 0.00 31.29 31.09 2ouq h VAL 466 CO 0.75 0.05 0.02 -2.11 -1.01 0.00 0.00 177.57 175.26 2ouq n ARG 467 N -4.45 0.10 -0.02 4.17 1.85 -1.26 -1.55 116.66 115.49 2ouq n ARG 467 Ca 0.09 0.59 0.08 0.00 -1.00 0.00 0.00 57.85 57.61 2ouq n ARG 467 Cb 0.43 -1.84 0.08 0.00 -1.05 0.00 0.00 32.46 30.07 2ouq n ARG 467 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2ouq n LEU 468 N -2.03 2.36 0.28 2.89 4.77 -0.58 -4.63 117.00 120.06 2ouq n LEU 468 Ca -0.01 -1.10 0.13 0.00 -0.03 0.00 0.00 56.01 55.00 2ouq n LEU 468 Cb 0.04 -0.03 0.83 0.00 -2.33 0.00 0.00 43.42 41.93 2ouq n LEU 468 CO 0.07 0.45 1.08 0.00 -1.33 0.00 0.00 177.39 177.66 2ouq n LYS 470 N -3.92 0.87 -0.01 0.00 4.76 -1.26 -4.34 118.16 114.27 2ouq n LYS 470 Ca -0.03 0.04 -0.09 0.00 -2.87 0.00 0.00 58.31 55.36 2ouq n LYS 470 Cb 0.12 -1.47 -0.03 0.00 -1.84 0.00 0.00 35.03 31.81 2ouq n LYS 470 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 2ouq h GLU 471 N 0.00 -0.14 -0.10 1.97 4.39 -1.76 -1.45 114.58 117.48 2ouq h GLU 471 Ca -0.51 0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.23 2ouq h GLU 471 Cb 2.02 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 30.70 2ouq h GLU 471 CO -0.01 -0.10 0.15 0.97 -1.16 0.00 0.00 179.01 178.87 2ouq h ILE 472 N -0.15 0.34 0.00 3.13 2.10 -1.40 -0.30 117.51 121.23 2ouq h ILE 472 Ca 0.09 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.03 2ouq h ILE 472 Cb 0.29 0.87 0.00 0.00 -1.09 0.00 0.00 36.82 36.88 2ouq h ILE 472 CO -0.23 0.00 0.00 -0.33 -1.08 0.00 0.00 178.15 176.51 2ouq h GLU 473 N 0.00 0.00 -6.86 2.19 4.39 -1.46 -3.46 114.58 109.39 2ouq h GLU 473 Ca 0.05 0.00 -0.50 0.00 0.34 0.00 0.00 59.36 59.25 2ouq h GLU 473 Cb 0.36 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.03 2ouq h GLU 473 CO -0.00 0.00 0.46 -0.51 -1.16 0.00 0.00 179.01 177.80 2ouq s LEU 474 N -5.56 4.42 0.26 1.33 1.43 -0.12 -4.86 118.68 115.57 2ouq s LEU 474 Ca 0.08 2.22 -0.05 0.00 -1.03 0.00 0.00 54.13 55.36 2ouq s LEU 474 Cb 0.08 -3.80 0.30 0.00 0.03 0.00 0.00 46.19 42.80 2ouq s LEU 474 CO 0.64 -0.28 1.87 -0.26 0.23 0.00 0.00 176.35 178.56 2ouq h PHE 475 N 3.38 1.12 -0.11 0.29 -1.00 -1.88 -2.69 116.94 116.05 2ouq h PHE 475 Ca -0.47 -0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.28 2ouq h PHE 475 Cb 1.21 -0.36 0.00 0.00 3.61 0.00 0.00 35.95 40.42 2ouq h PHE 475 CO 0.58 0.79 0.00 -2.39 -1.61 0.00 0.00 178.31 175.68 2ouq n HIS 476 N -4.34 0.17 -1.68 -0.55 1.44 -1.26 -4.92 115.22 104.08 2ouq n HIS 476 Ca 0.08 -0.08 -0.44 0.00 -2.01 0.00 0.00 57.72 55.28 2ouq n HIS 476 Cb 0.11 -0.01 -0.02 0.00 0.12 0.00 0.00 29.99 30.19 2ouq n HIS 476 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 2ouq n PHE 477 N -0.15 2.23 -3.92 -1.40 7.35 -1.02 -4.44 117.46 116.11 2ouq n PHE 477 Ca 0.04 0.47 -0.35 0.00 -0.76 0.00 0.00 57.45 56.85 2ouq n PHE 477 Cb 0.12 -2.45 -0.14 0.00 0.35 0.00 0.00 39.48 37.36 2ouq n PHE 477 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2ouq s ASP 478 N 0.06 4.37 0.17 -2.13 3.68 -1.26 -4.97 116.67 116.59 2ouq s ASP 478 Ca 0.63 -0.67 0.26 0.00 2.13 0.00 0.00 52.55 54.90 2ouq s ASP 478 Cb -0.61 -1.71 0.90 0.00 -1.45 0.00 0.00 42.92 40.05 2ouq s ASP 478 CO 0.54 -0.09 1.79 2.30 0.13 0.00 0.00 175.17 179.84 2ouq n ILE 479 N 4.74 0.54 -0.24 4.11 -5.35 -1.26 -4.41 119.36 117.49 2ouq n ILE 479 Ca -0.17 -0.16 -0.01 0.00 -0.27 0.00 0.00 62.75 62.14 2ouq n ILE 479 Cb 0.49 -0.66 0.02 0.00 -1.74 0.00 0.00 39.64 37.75 2ouq n ILE 479 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2ouq n GLY 480 N 1.14 -1.32 0.00 3.28 0.00 -1.26 -0.57 105.19 106.45 2ouq n GLY 480 Ca 0.05 0.71 0.07 0.00 0.00 0.00 0.00 46.02 46.85 2ouq n GLY 480 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2ouq n PRO 481 N -4.91 0.18 -2.50 1.61 -0.02 -1.26 -4.02 135.00 124.08 2ouq n PRO 481 Ca 0.06 0.16 -0.23 0.00 -2.02 0.00 0.00 63.50 61.47 2ouq n PRO 481 Cb 0.24 -1.50 0.01 0.00 -0.02 0.00 0.00 33.50 32.23 2ouq n PRO 481 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2ouq n PHE 482 N -1.30 2.97 -0.28 6.00 3.01 0.26 -4.93 117.46 123.19 2ouq n PHE 482 Ca 0.06 -3.03 0.10 0.00 1.01 0.00 0.00 57.45 55.59 2ouq n PHE 482 Cb 0.12 -0.14 0.25 0.00 -0.01 0.00 0.00 39.48 39.69 2ouq n PHE 482 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 2ouq h GLU 483 N 2.64 0.37 0.00 -1.08 4.81 -1.73 0.30 114.58 119.90 2ouq h GLU 483 Ca 0.23 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.43 2ouq h GLU 483 Cb 0.99 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.29 2ouq h GLU 483 CO 0.78 0.24 -0.00 -2.95 -0.73 0.00 0.00 179.01 176.35 2ouq h ASN 484 N 0.38 0.00 0.69 1.04 -1.07 -1.96 -2.74 115.58 111.92 2ouq h ASN 484 Ca 0.49 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.86 2ouq h ASN 484 Cb 0.88 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.13 2ouq h ASN 484 CO -0.50 0.00 -0.52 0.23 0.07 0.00 0.00 177.43 176.71 2ouq n MET 485 N -3.09 0.13 -0.12 4.14 2.81 0.10 -4.50 117.12 116.59 2ouq n MET 485 Ca -0.00 0.04 -0.06 0.00 -1.81 0.00 0.00 57.70 55.86 2ouq n MET 485 Cb 0.24 -1.58 -0.00 0.00 -0.71 0.00 0.00 33.22 31.17 2ouq n MET 485 CO 0.00 0.00 0.00 -1.49 1.51 0.00 0.00 175.97 175.99 2ouq h TRP 486 N 0.00 -0.73 -0.96 2.03 6.55 -1.17 0.41 115.95 122.08 2ouq h TRP 486 Ca 0.00 0.05 0.01 0.00 0.95 0.00 0.00 58.89 59.90 2ouq h TRP 486 Cb 0.61 0.38 -0.05 0.00 -0.86 0.00 0.00 29.16 29.24 2ouq h TRP 486 CO 0.00 -0.34 0.63 -1.35 -1.05 0.00 0.00 178.44 176.33 2ouq h PRO 487 N -0.20 1.27 -0.08 0.49 0.11 -1.82 -1.29 132.00 130.48 2ouq h PRO 487 Ca 0.19 -0.08 -0.06 0.00 0.11 0.00 0.00 66.00 66.16 2ouq h PRO 487 Cb 0.50 -0.28 -0.01 0.00 0.11 0.00 0.00 31.00 31.32 2ouq h PRO 487 CO -0.52 0.85 -0.23 0.78 -0.21 0.00 0.00 178.00 178.67 2ouq h GLY 488 N 1.31 0.14 1.27 -0.55 0.00 -1.37 -2.00 103.07 101.87 2ouq h GLY 488 Ca 0.35 -0.10 -0.13 0.00 0.00 0.00 0.00 47.33 47.45 2ouq h GLY 488 CO -0.07 0.09 -0.28 -2.22 0.00 0.00 0.00 176.54 174.06 2ouq h ILE 489 N 0.12 1.27 -0.30 2.60 2.04 0.84 -0.67 117.51 123.42 2ouq h ILE 489 Ca 0.02 -1.43 -0.13 0.00 1.00 0.00 0.00 64.86 64.33 2ouq h ILE 489 Cb 0.48 1.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.82 2ouq h ILE 489 CO 0.03 0.48 -0.33 0.15 0.00 0.00 0.00 178.15 178.47 2ouq h PHE 490 N 0.71 0.76 -0.28 1.37 3.57 -0.90 -1.75 116.94 120.42 2ouq h PHE 490 Ca 0.08 -0.20 -0.02 0.00 3.53 0.00 0.00 57.97 61.36 2ouq h PHE 490 Cb 0.82 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.38 2ouq h PHE 490 CO 0.05 0.90 0.09 0.28 -2.23 0.00 0.00 178.31 177.40 2ouq h VAL 491 N 0.55 1.20 -0.45 1.41 2.07 -1.13 -1.31 116.25 118.59 2ouq h VAL 491 Ca 0.06 -0.63 0.07 0.00 0.82 0.00 0.00 66.70 67.01 2ouq h VAL 491 Cb 0.84 1.10 -0.06 0.00 -1.52 0.00 0.00 31.29 31.65 2ouq h VAL 491 CO 0.07 0.21 0.13 0.22 0.02 0.00 0.00 177.57 178.22 2ouq h TYR 492 N 0.28 0.22 -0.56 1.57 3.20 -0.91 -1.16 116.97 119.61 2ouq h TYR 492 Ca 0.09 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.88 2ouq h TYR 492 Cb 0.24 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.46 2ouq h TYR 492 CO 0.00 0.06 -0.05 0.52 -1.64 0.00 0.00 178.16 177.05 2ouq h MET 493 N 0.28 1.01 -0.62 1.82 2.86 -1.13 -1.04 114.93 118.11 2ouq h MET 493 Ca 0.22 -0.34 -0.04 0.00 -2.06 0.00 0.00 59.70 57.48 2ouq h MET 493 Cb 0.24 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.79 2ouq h MET 493 CO -0.25 1.02 0.25 0.28 1.06 0.00 0.00 176.91 179.26 2ouq h VAL 494 N 0.91 1.23 0.00 -2.22 2.07 -0.90 -1.11 116.25 116.23 2ouq h VAL 494 Ca 0.15 -0.73 -0.00 0.00 0.82 0.00 0.00 66.70 66.95 2ouq h VAL 494 Cb 0.60 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 2ouq h VAL 494 CO 0.04 0.28 -0.00 0.45 0.02 0.00 0.00 177.57 178.36 2ouq h HIS 495 N 0.86 -0.00 -0.61 1.57 -0.00 -0.96 0.46 115.15 116.47 2ouq h HIS 495 Ca 0.21 -0.00 -0.07 0.00 -0.00 0.00 0.00 60.37 60.51 2ouq h HIS 495 Cb 0.21 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 27.59 2ouq h HIS 495 CO 0.01 0.15 0.12 0.00 -0.00 0.00 0.00 177.93 178.21 2ouq h ARG 496 N -0.15 0.98 0.09 2.45 2.47 -1.10 0.43 114.38 119.55 2ouq h ARG 496 Ca -0.00 -0.23 -0.31 0.00 -1.26 0.00 0.00 59.98 58.18 2ouq h ARG 496 Cb 0.15 -0.13 -0.02 0.00 -1.65 0.00 0.00 29.97 28.32 2ouq h ARG 496 CO 0.00 0.89 -1.59 1.03 0.56 0.00 0.00 179.97 180.86 2ouq h SER 497 N 0.93 0.31 -0.00 7.04 0.87 -1.14 -3.39 113.55 118.17 2ouq h SER 497 Ca 0.19 -0.47 0.00 0.00 -1.23 0.00 0.00 61.79 60.28 2ouq h SER 497 Cb 0.37 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 2ouq h SER 497 CO 0.01 1.40 -0.44 0.00 -0.53 0.00 0.00 176.83 177.27 2ouq n GLY 499 N 1.18 1.39 0.29 0.00 0.00 0.15 -4.18 105.19 104.02 2ouq n GLY 499 Ca 0.03 -1.54 0.19 0.00 0.00 0.00 0.00 46.02 44.70 2ouq n GLY 499 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2ouq h THR 500 N 0.00 0.00 -0.52 2.61 1.35 -1.86 -1.69 112.91 112.81 2ouq h THR 500 Ca 0.00 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.76 2ouq h THR 500 Cb 0.00 0.99 0.00 0.00 -1.73 0.00 0.00 68.15 67.41 2ouq h THR 500 CO 0.00 0.00 0.00 -1.54 -0.25 0.00 0.00 175.52 173.73 2ouq n SER 501 N -2.89 3.63 -0.07 5.36 3.41 -1.26 -4.48 113.62 117.32 2ouq n SER 501 Ca -0.02 -1.99 -0.11 0.00 -0.26 0.00 0.00 58.87 56.49 2ouq n SER 501 Cb 0.11 -0.34 -0.05 0.00 -0.26 0.00 0.00 64.21 63.67 2ouq n SER 501 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ouq s PHE 503 N -5.11 2.02 -0.03 0.00 0.08 -1.26 -5.02 117.98 108.65 2ouq s PHE 503 Ca -0.14 -0.41 -0.30 0.00 0.12 0.00 0.00 56.93 56.20 2ouq s PHE 503 Cb 0.07 -1.03 -0.06 0.00 -0.57 0.00 0.00 43.02 41.43 2ouq s PHE 503 CO 0.73 0.37 1.64 -1.21 -0.10 0.00 0.00 175.22 176.64 2ouq s GLU 504 N -2.53 4.19 0.17 0.44 2.02 -1.26 -4.89 118.70 116.84 2ouq s GLU 504 Ca 0.16 2.19 -0.24 0.00 0.02 0.00 0.00 54.97 57.10 2ouq s GLU 504 Cb -0.08 -3.91 0.06 0.00 0.10 0.00 0.00 34.13 30.31 2ouq s GLU 504 CO 0.07 -0.81 1.58 1.25 0.02 0.00 0.00 175.26 177.36 2ouq h LEU 505 N 9.89 -1.36 -0.77 1.80 5.85 -1.98 -0.16 115.31 128.57 2ouq h LEU 505 Ca -0.40 0.23 0.09 0.00 0.84 0.00 0.00 57.88 58.65 2ouq h LEU 505 Cb 1.18 0.63 -0.07 0.00 0.37 0.00 0.00 40.66 42.77 2ouq h LEU 505 CO 0.95 -0.33 0.42 -0.08 -0.34 0.00 0.00 178.44 179.06 2ouq h GLU 506 N -0.22 0.69 -0.44 1.25 4.81 -1.97 -1.12 114.58 117.59 2ouq h GLU 506 Ca 0.19 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.30 2ouq h GLU 506 Cb 0.56 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 2ouq h GLU 506 CO -0.67 0.46 -0.02 0.87 -0.73 0.00 0.00 179.01 178.92 2ouq h LYS 507 N 0.71 0.80 -0.15 1.92 1.57 -1.58 -1.94 116.57 117.91 2ouq h LYS 507 Ca 0.37 -0.26 0.01 0.00 -1.87 0.00 0.00 60.65 58.90 2ouq h LYS 507 Cb 0.35 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 2ouq h LYS 507 CO -0.25 0.87 0.08 1.25 -0.57 0.00 0.00 179.45 180.83 2ouq h LEU 508 N 0.64 0.13 -1.21 2.94 5.85 -0.42 -0.13 115.31 123.10 2ouq h LEU 508 Ca 0.12 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 2ouq h LEU 508 Cb 0.52 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 2ouq h LEU 508 CO 0.03 0.10 0.25 0.00 -0.34 0.00 0.00 178.44 178.47 2ouq h ARG 510 N 0.79 0.65 -0.27 0.00 2.43 -0.97 -1.98 114.38 115.04 2ouq h ARG 510 Ca 0.19 -0.32 -0.00 0.00 -0.81 0.00 0.00 59.98 59.04 2ouq h ARG 510 Cb 0.12 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 2ouq h ARG 510 CO -0.02 0.92 0.16 0.35 -1.51 0.00 0.00 179.97 179.87 2ouq h PHE 511 N 0.39 0.35 -0.18 2.20 3.57 -0.63 -1.41 116.94 121.23 2ouq h PHE 511 Ca 0.05 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 2ouq h PHE 511 Cb 0.77 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.38 2ouq h PHE 511 CO 0.07 0.26 0.10 0.82 -2.23 0.00 0.00 178.31 177.33 2ouq h ILE 512 N 0.34 1.10 0.00 1.41 2.04 -1.11 -0.82 117.51 120.46 2ouq h ILE 512 Ca 0.10 -0.25 -0.07 0.00 1.00 0.00 0.00 64.86 65.63 2ouq h ILE 512 Cb 0.01 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 2ouq h ILE 512 CO -0.02 0.09 -0.34 0.24 0.00 0.00 0.00 178.15 178.12 2ouq h MET 513 N 0.20 0.00 0.04 2.37 2.86 -1.27 -1.80 114.93 117.33 2ouq h MET 513 Ca 0.06 0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 57.44 2ouq h MET 513 Cb 0.06 0.00 0.02 0.00 0.06 0.00 0.00 31.60 31.73 2ouq h MET 513 CO -0.01 0.34 -1.08 0.77 1.06 0.00 0.00 176.91 177.99 2ouq h SER 514 N 0.00 0.73 -0.34 1.22 0.02 -1.07 -2.85 113.55 111.26 2ouq h SER 514 Ca -0.00 -0.62 0.02 0.00 -0.84 0.00 0.00 61.79 60.35 2ouq h SER 514 Cb 0.74 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 63.02 2ouq h SER 514 CO 0.04 1.43 0.16 0.58 -1.14 0.00 0.00 176.83 177.91 2ouq h VAL 515 N 0.28 0.98 -0.96 2.27 2.07 -0.82 -1.33 116.25 118.73 2ouq h VAL 515 Ca -0.13 -0.12 0.13 0.00 0.82 0.00 0.00 66.70 67.41 2ouq h VAL 515 Cb 1.74 0.61 -0.09 0.00 -1.52 0.00 0.00 31.29 32.03 2ouq h VAL 515 CO 0.20 0.06 0.59 0.50 0.02 0.00 0.00 177.57 178.94 2ouq h LYS 516 N 0.34 0.86 0.00 1.57 3.64 -1.33 0.31 116.57 121.96 2ouq h LYS 516 Ca 0.14 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 2ouq h LYS 516 Cb 0.06 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.68 2ouq h LYS 516 CO -0.10 0.57 0.00 1.63 -2.27 0.00 0.00 179.45 179.28 2ouq n LYS 517 N -4.69 0.43 -0.23 1.90 5.02 -0.53 -2.36 118.16 117.70 2ouq n LYS 517 Ca 0.19 0.06 0.06 0.00 -2.02 0.00 0.00 58.31 56.60 2ouq n LYS 517 Cb 0.39 -1.50 0.17 0.00 -0.02 0.00 0.00 35.03 34.07 2ouq n LYS 517 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2ouq n ASN 518 N -1.17 3.06 -4.80 4.39 3.02 0.09 -4.76 115.26 115.10 2ouq n ASN 518 Ca 0.12 -2.48 -0.34 0.00 -0.03 0.00 0.00 54.58 51.85 2ouq n ASN 518 Cb 0.12 -0.33 -0.07 0.00 -0.61 0.00 0.00 39.78 38.89 2ouq n ASN 518 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2ouq s TYR 519 N -1.86 3.34 0.17 3.10 1.51 -1.00 -1.45 117.35 121.17 2ouq s TYR 519 Ca 0.28 0.26 0.04 0.00 -1.01 0.00 0.00 57.07 56.63 2ouq s TYR 519 Cb 0.20 -1.77 -0.04 0.00 -0.11 0.00 0.00 41.96 40.24 2ouq s TYR 519 CO 0.10 0.57 0.22 1.03 -1.11 0.00 0.00 175.55 176.36 2ouq s ARG 520 N -1.63 3.17 -0.58 -0.62 0.52 -1.26 -4.91 118.95 113.65 2ouq s ARG 520 Ca 0.22 -0.76 -0.06 0.00 -0.52 0.00 0.00 55.73 54.61 2ouq s ARG 520 Cb -0.12 -2.79 -0.13 0.00 0.52 0.00 0.00 34.95 32.43 2ouq s ARG 520 CO 0.13 0.49 2.53 0.54 0.02 0.00 0.00 175.30 179.01 2ouq n ARG 521 N -0.56 2.00 -3.00 3.54 1.74 -1.26 -4.50 116.66 114.62 2ouq n ARG 521 Ca -0.08 -1.20 -0.32 0.00 -0.77 0.00 0.00 57.85 55.48 2ouq n ARG 521 Cb 0.55 -2.21 -0.06 0.00 -1.02 0.00 0.00 32.46 29.72 2ouq n ARG 521 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2ouq s VAL 522 N 2.32 4.64 0.59 1.55 -7.23 -1.26 -4.95 120.40 116.05 2ouq s VAL 522 Ca 0.48 1.00 0.27 0.00 -1.81 0.00 0.00 61.98 61.92 2ouq s VAL 522 Cb 0.17 -3.63 0.27 0.00 0.56 0.00 0.00 36.38 33.75 2ouq s VAL 522 CO -0.02 -0.29 1.82 -0.65 -0.31 0.00 0.00 175.10 175.65 2ouq h PRO 523 N 1.96 0.00 0.00 4.82 0.11 -1.96 -3.39 132.00 133.54 2ouq h PRO 523 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2ouq h PRO 523 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2ouq h PRO 523 CO 0.64 0.00 0.00 0.98 -0.21 0.00 0.00 178.00 179.41 2ouq n TYR 524 N -2.77 -2.59 -0.82 0.65 9.36 -1.26 -4.93 117.16 114.81 2ouq n TYR 524 Ca -0.02 0.47 -0.23 0.00 3.32 0.00 0.00 57.90 61.44 2ouq n TYR 524 Cb 0.39 0.64 -0.03 0.00 -0.63 0.00 0.00 39.34 39.71 2ouq n TYR 524 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 2ouq n HIS 525 N -3.46 1.34 -4.02 2.98 -0.00 -1.26 -4.34 115.22 106.44 2ouq n HIS 525 Ca 0.00 -2.00 -0.17 0.00 -0.00 0.00 0.00 57.72 55.54 2ouq n HIS 525 Cb 0.00 -1.73 -0.02 0.00 -0.00 0.00 0.00 29.99 28.24 2ouq n HIS 525 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.34 176.61 2ouq n ASN 526 N 3.88 2.38 -0.20 0.41 0.23 -1.26 -4.66 115.26 116.04 2ouq n ASN 526 Ca 0.48 -2.23 0.01 0.00 -0.53 0.00 0.00 54.58 52.30 2ouq n ASN 526 Cb 0.21 0.07 0.11 0.00 -2.08 0.00 0.00 39.78 38.10 2ouq n ASN 526 CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 2ouq h TRP 527 N 0.82 0.32 -0.63 -2.53 -0.00 -1.88 -0.35 115.95 111.70 2ouq h TRP 527 Ca -0.23 0.03 0.08 0.00 -0.00 0.00 0.00 58.89 58.77 2ouq h TRP 527 Cb 0.77 -0.05 -0.06 0.00 -0.00 0.00 0.00 29.16 29.82 2ouq h TRP 527 CO 0.00 0.04 0.30 -0.22 -0.00 0.00 0.00 178.44 178.56 2ouq h LYS 528 N 0.35 0.52 -0.44 2.65 3.64 -1.96 -1.79 116.57 119.54 2ouq h LYS 528 Ca 0.32 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 2ouq h LYS 528 Cb 0.44 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 2ouq h LYS 528 CO -0.35 0.35 0.28 1.25 -2.27 0.00 0.00 179.45 178.70 2ouq h HIS 529 N 0.54 0.57 -0.18 1.91 2.76 -1.31 -1.34 115.15 118.09 2ouq h HIS 529 Ca 0.30 0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.51 2ouq h HIS 529 Cb 0.29 -0.19 -0.03 0.00 1.55 0.00 0.00 27.41 29.03 2ouq h HIS 529 CO -0.12 0.38 -0.04 0.00 -1.30 0.00 0.00 177.93 176.86 2ouq h ALA 530 N 1.14 0.13 -0.64 5.26 0.00 -0.42 -0.31 119.26 124.42 2ouq h ALA 530 Ca 0.16 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 2ouq h ALA 530 Cb -0.03 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2ouq h ALA 530 CO -0.03 -0.47 0.07 0.28 0.00 0.00 0.00 179.25 179.09 2ouq h VAL 531 N 0.01 1.26 -0.51 0.00 2.07 -1.29 -0.46 116.25 117.33 2ouq h VAL 531 Ca 0.09 -1.07 0.01 0.00 0.82 0.00 0.00 66.70 66.54 2ouq h VAL 531 Cb 0.13 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 2ouq h VAL 531 CO -0.18 0.40 0.33 0.74 0.02 0.00 0.00 177.57 178.88 2ouq h THR 532 N 1.00 1.11 -0.54 2.57 2.02 -0.82 0.30 112.91 118.54 2ouq h THR 532 Ca 0.19 -0.23 -0.07 0.00 0.77 0.00 0.00 66.41 67.07 2ouq h THR 532 Cb 0.48 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 2ouq h THR 532 CO 0.02 0.12 0.06 0.58 0.37 0.00 0.00 175.52 176.67 2ouq h VAL 533 N 0.68 1.26 -0.72 3.16 2.07 -0.84 -2.50 116.25 119.35 2ouq h VAL 533 Ca 0.19 -1.02 -0.00 0.00 0.82 0.00 0.00 66.70 66.69 2ouq h VAL 533 Cb -0.06 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 2ouq h VAL 533 CO -0.05 0.37 0.44 0.00 0.02 0.00 0.00 177.57 178.35 2ouq h ALA 534 N 0.98 0.91 -0.62 1.67 0.00 -0.55 -2.12 119.26 119.53 2ouq h ALA 534 Ca 0.16 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 2ouq h ALA 534 Cb 0.46 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2ouq h ALA 534 CO 0.02 0.37 0.15 1.25 0.00 0.00 0.00 179.25 181.03 2ouq h HIS 535 N 0.98 1.01 -0.71 0.00 6.17 -0.81 0.30 115.15 122.08 2ouq h HIS 535 Ca 0.26 -0.11 -0.05 0.00 0.71 0.00 0.00 60.37 61.18 2ouq h HIS 535 Cb -0.06 -0.29 -0.03 0.00 2.52 0.00 0.00 27.41 29.55 2ouq h HIS 535 CO -0.01 0.83 0.24 0.00 0.71 0.00 0.00 177.93 179.69 2ouq h MET 537 N 1.05 0.99 -0.24 0.00 -1.53 -0.92 -0.98 114.93 113.31 2ouq h MET 537 Ca 0.23 -0.24 0.02 0.00 -3.44 0.00 0.00 59.70 56.28 2ouq h MET 537 Cb 0.27 -0.13 -0.02 0.00 -0.55 0.00 0.00 31.60 31.17 2ouq h MET 537 CO -0.01 0.91 0.08 -0.92 0.14 0.00 0.00 176.91 177.11 2ouq h TYR 538 N 0.94 0.15 -0.71 1.39 3.20 -0.11 0.40 116.97 122.23 2ouq h TYR 538 Ca 0.19 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.06 2ouq h TYR 538 Cb 0.39 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.59 2ouq h TYR 538 CO 0.03 0.07 0.39 0.00 -1.64 0.00 0.00 178.16 177.00 2ouq h ALA 539 N 1.15 0.91 -0.60 1.82 0.00 -0.58 0.56 119.26 122.51 2ouq h ALA 539 Ca 0.10 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2ouq h ALA 539 Cb 0.07 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 2ouq h ALA 539 CO -0.11 0.43 0.23 0.82 0.00 0.00 0.00 179.25 180.62 2ouq h ILE 540 N 0.98 1.23 -0.33 0.00 2.04 -0.78 -2.36 117.51 118.29 2ouq h ILE 540 Ca 0.25 -0.75 -0.13 0.00 1.00 0.00 0.00 64.86 65.23 2ouq h ILE 540 Cb 0.04 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 2ouq h ILE 540 CO -0.04 0.29 -0.31 -0.07 0.00 0.00 0.00 178.15 178.02 2ouq h LEU 541 N 0.85 0.74 -1.13 1.44 3.38 -0.52 -2.89 115.31 117.18 2ouq h LEU 541 Ca 0.20 -0.30 -0.08 0.00 0.09 0.00 0.00 57.88 57.79 2ouq h LEU 541 Cb 0.23 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2ouq h LEU 541 CO -0.01 1.00 -0.37 1.56 0.09 0.00 0.00 178.44 180.70 2ouq h GLN 542 N 0.61 0.00 -0.05 1.13 1.08 -0.75 0.18 115.11 117.30 2ouq h GLN 542 Ca 0.07 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 2ouq h GLN 542 Cb 0.83 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.26 2ouq h GLN 542 CO 0.07 0.37 0.00 0.09 -0.95 0.00 0.00 178.83 178.41 2ouq n ASN 543 N -3.73 2.09 -1.08 1.46 3.02 -0.90 -3.70 115.26 112.43 2ouq n ASN 543 Ca -0.01 -1.70 0.02 0.00 -0.03 0.00 0.00 54.58 52.86 2ouq n ASN 543 Cb 0.46 -0.02 0.01 0.00 -0.61 0.00 0.00 39.78 39.62 2ouq n ASN 543 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2ouq n ASN 544 N 0.63 0.58 -0.27 6.41 3.02 -1.10 -4.77 115.26 119.76 2ouq n ASN 544 Ca 0.17 -2.00 -0.02 0.00 -0.03 0.00 0.00 54.58 52.70 2ouq n ASN 544 Cb 0.44 -0.26 0.01 0.00 -0.61 0.00 0.00 39.78 39.37 2ouq n ASN 544 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 2ouq n HIS 545 N 0.29 -0.04 1.57 3.10 -0.00 0.03 0.35 115.22 120.52 2ouq n HIS 545 Ca 0.03 0.86 0.09 0.00 -0.00 0.00 0.00 57.72 58.70 2ouq n HIS 545 Cb 0.96 -0.72 0.54 0.00 -0.00 0.00 0.00 29.99 30.77 2ouq n HIS 545 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 2ouq n THR 546 N -5.00 0.00 0.36 3.57 -2.24 -1.26 -3.57 114.28 106.14 2ouq n THR 546 Ca 0.06 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.95 2ouq n THR 546 Cb 0.26 -0.47 -0.12 0.00 -2.10 0.00 0.00 70.33 67.90 2ouq n THR 546 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2ouq n LEU 547 N -0.86 0.40 -4.44 3.22 4.77 0.15 -4.97 117.00 115.28 2ouq n LEU 547 Ca 0.14 -0.13 -0.30 0.00 -0.03 0.00 0.00 56.01 55.69 2ouq n LEU 547 Cb 0.06 -0.01 -0.13 0.00 -2.33 0.00 0.00 43.42 41.01 2ouq n LEU 547 CO 0.10 0.07 -0.52 -0.36 -1.33 0.00 0.00 177.39 175.35 2ouq s PHE 548 N -3.32 2.45 0.70 -1.77 0.40 -1.23 -5.14 117.98 110.06 2ouq s PHE 548 Ca -0.02 -0.31 -0.11 0.00 -0.60 0.00 0.00 56.93 55.89 2ouq s PHE 548 Cb 0.14 -1.35 0.01 0.00 0.51 0.00 0.00 43.02 42.33 2ouq s PHE 548 CO 0.88 0.31 1.07 0.95 0.70 0.00 0.00 175.22 179.13 2ouq s THR 549 N -1.03 3.83 0.23 0.64 -4.23 -1.26 -4.85 115.64 108.97 2ouq s THR 549 Ca 0.15 0.59 -0.07 0.00 -1.18 0.00 0.00 61.69 61.18 2ouq s THR 549 Cb -0.10 -3.51 0.21 0.00 1.34 0.00 0.00 72.50 70.44 2ouq s THR 549 CO 0.07 -0.78 1.90 0.44 -0.54 0.00 0.00 174.62 175.71 2ouq h ASP 550 N -0.64 0.99 -0.69 3.99 3.32 -1.97 -0.32 116.42 121.09 2ouq h ASP 550 Ca -0.45 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 56.53 2ouq h ASP 550 Cb 1.23 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 40.52 2ouq h ASP 550 CO 0.62 0.70 0.22 -0.07 -1.72 0.00 0.00 179.24 178.98 2ouq h LEU 551 N 1.16 1.02 -0.22 1.55 3.38 -1.99 -1.96 115.31 118.25 2ouq h LEU 551 Ca 0.34 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 2ouq h LEU 551 Cb -0.07 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.40 2ouq h LEU 551 CO -0.09 0.95 -0.08 -0.33 0.09 0.00 0.00 178.44 178.98 2ouq h GLU 552 N 1.05 0.44 -0.76 1.13 5.08 -1.73 -0.74 114.58 119.06 2ouq h GLU 552 Ca 0.23 -0.18 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 2ouq h GLU 552 Cb 0.30 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 2ouq h GLU 552 CO -0.01 0.70 0.30 0.00 -1.00 0.00 0.00 179.01 179.01 2ouq h ARG 553 N 0.16 1.13 0.01 2.33 3.08 -0.95 0.22 114.38 120.36 2ouq h ARG 553 Ca 0.05 -0.20 -0.23 0.00 0.07 0.00 0.00 59.98 59.67 2ouq h ARG 553 Cb 0.55 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.42 2ouq h ARG 553 CO 0.03 0.92 -0.96 1.57 -1.07 0.00 0.00 179.97 180.46 2ouq h LYS 554 N 1.09 0.42 -0.50 0.04 2.10 -1.38 -2.54 116.57 115.80 2ouq h LYS 554 Ca 0.25 -0.46 -0.12 0.00 -2.00 0.00 0.00 60.65 58.32 2ouq h LYS 554 Cb 0.21 0.13 -0.01 0.00 -0.90 0.00 0.00 32.23 31.66 2ouq h LYS 554 CO -0.02 1.12 -0.16 0.78 -2.00 0.00 0.00 179.45 179.17 2ouq h GLY 555 N 1.20 1.08 0.88 0.07 0.00 -0.87 -2.55 103.07 102.87 2ouq h GLY 555 Ca -0.08 -0.92 -0.09 0.00 0.00 0.00 0.00 47.33 46.24 2ouq h GLY 555 CO 0.17 0.84 -0.18 1.41 0.00 0.00 0.00 176.54 178.77 2ouq h LEU 556 N 0.86 0.59 -0.97 3.11 3.38 -0.60 0.73 115.31 122.40 2ouq h LEU 556 Ca 0.12 -0.44 -0.00 0.00 0.09 0.00 0.00 57.88 57.65 2ouq h LEU 556 Cb 0.73 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.27 2ouq h LEU 556 CO 0.06 0.91 0.61 -0.07 0.09 0.00 0.00 178.44 180.03 2ouq h LEU 557 N 0.27 1.15 -0.32 1.67 3.38 -1.47 -0.02 115.31 119.97 2ouq h LEU 557 Ca 0.05 -0.06 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 2ouq h LEU 557 Cb 0.71 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2ouq h LEU 557 CO 0.05 0.86 -0.31 0.40 0.09 0.00 0.00 178.44 179.54 2ouq h ILE 558 N 1.33 1.29 -0.91 1.22 1.08 -1.40 -2.80 117.51 117.32 2ouq h ILE 558 Ca 0.35 -1.47 0.01 0.00 -0.39 0.00 0.00 64.86 63.36 2ouq h ILE 558 Cb -0.09 1.51 -0.04 0.00 -3.07 0.00 0.00 36.82 35.12 2ouq h ILE 558 CO -0.07 0.48 0.60 0.00 -0.69 0.00 0.00 178.15 178.47 2ouq h ALA 559 N 0.73 1.15 -0.72 1.87 0.00 -0.18 -2.05 119.26 120.05 2ouq h ALA 559 Ca 0.05 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 2ouq h ALA 559 Cb 0.88 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 2ouq h ALA 559 CO 0.08 0.55 0.21 0.00 0.00 0.00 0.00 179.25 180.09 2ouq h LEU 561 N 1.08 0.11 -1.60 0.00 5.85 -1.18 -3.10 115.31 116.48 2ouq h LEU 561 Ca 0.23 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.91 2ouq h LEU 561 Cb 0.32 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.32 2ouq h LEU 561 CO -0.00 0.54 -0.11 0.00 -0.34 0.00 0.00 178.44 178.52 2ouq h HIS 563 N 3.65 0.00 -0.05 0.00 2.07 -0.20 -2.10 115.15 118.52 2ouq h HIS 563 Ca 0.00 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.50 2ouq h HIS 563 Cb 0.83 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.80 2ouq h HIS 563 CO 0.00 0.00 -0.28 -0.25 -3.07 0.00 0.00 177.93 174.33 2ouq n ASP 564 N -3.88 2.08 -4.61 3.10 8.00 -1.26 -4.85 116.55 115.12 2ouq n ASP 564 Ca 0.05 -3.61 -0.48 0.00 0.71 0.00 0.00 54.79 51.46 2ouq n ASP 564 Cb 0.47 -0.51 -0.04 0.00 -0.02 0.00 0.00 41.12 41.02 2ouq n ASP 564 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2ouq n LEU 565 N -1.19 2.09 -3.16 0.64 4.77 -0.79 -2.30 117.00 117.06 2ouq n LEU 565 Ca 0.20 1.13 -0.23 0.00 -0.03 0.00 0.00 56.01 57.08 2ouq n LEU 565 Cb 0.72 -1.28 0.02 0.00 -2.33 0.00 0.00 43.42 40.55 2ouq n LEU 565 CO 0.01 -0.96 -0.01 -0.67 -1.33 0.00 0.00 177.39 174.43 2ouq n ASP 566 N 2.26 -5.30 -4.77 -1.43 2.03 -0.53 -4.52 116.55 104.29 2ouq n ASP 566 Ca 0.15 -0.33 -0.38 0.00 0.52 0.00 0.00 54.79 54.75 2ouq n ASP 566 Cb 0.26 -4.30 -0.05 0.00 -0.72 0.00 0.00 41.12 36.31 2ouq n ASP 566 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 2ouq s HIS 567 N -3.10 3.51 -0.98 -0.67 2.46 -0.97 -4.96 115.29 110.58 2ouq s HIS 567 Ca 0.34 1.71 0.08 0.00 0.47 0.00 0.00 55.06 57.67 2ouq s HIS 567 Cb -0.16 -3.12 0.10 0.00 -0.13 0.00 0.00 32.58 29.27 2ouq s HIS 567 CO 0.43 -0.34 0.86 0.54 -2.47 0.00 0.00 174.74 173.76 2ouq n ARG 568 N 0.56 0.79 0.00 2.88 1.74 -1.26 -4.45 116.66 116.92 2ouq n ARG 568 Ca 0.02 -1.21 0.00 0.00 -0.77 0.00 0.00 57.85 55.89 2ouq n ARG 568 Cb 0.48 -1.17 0.00 0.00 -1.02 0.00 0.00 32.46 30.75 2ouq n ARG 568 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2ouq n GLY 569 N 0.43 0.49 3.83 -0.13 0.00 -1.26 -5.00 105.19 103.55 2ouq n GLY 569 Ca 0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 2ouq n GLY 569 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2ouq s PHE 570 N -2.00 3.17 0.46 1.61 0.40 -1.26 -4.51 117.98 115.85 2ouq s PHE 570 Ca 0.00 -0.06 -0.00 0.00 -0.60 0.00 0.00 56.93 56.27 2ouq s PHE 570 Cb 0.00 -1.47 -0.00 0.00 0.51 0.00 0.00 43.02 42.05 2ouq s PHE 570 CO 0.00 0.51 0.69 -1.54 0.70 0.00 0.00 175.22 175.59 2ouq s SER 571 N -3.55 5.85 0.00 1.36 1.04 -1.26 -5.06 113.70 112.08 2ouq s SER 571 Ca 0.32 0.36 0.00 0.00 0.48 0.00 0.00 55.95 57.11 2ouq s SER 571 Cb -0.09 -1.60 0.00 0.00 0.10 0.00 0.00 66.02 64.43 2ouq s SER 571 CO 0.25 -0.71 0.00 0.59 0.98 0.00 0.00 173.24 174.35 2ouq n ASN 572 N -2.12 0.00 -2.17 7.02 3.02 -1.26 -5.05 115.26 114.69 2ouq n ASN 572 Ca 0.01 0.00 -0.18 0.00 -0.03 0.00 0.00 54.58 54.38 2ouq n ASN 572 Cb 0.57 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.64 2ouq n ASN 572 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2ouq n SER 589 N 0.00 5.83 -0.21 6.41 7.64 -1.26 -5.04 113.62 127.00 2ouq n SER 589 Ca 0.00 -2.82 -0.02 0.00 1.01 0.00 0.00 58.87 57.05 2ouq n SER 589 Cb 0.00 -1.30 0.09 0.00 -1.01 0.00 0.00 64.21 61.99 2ouq n SER 589 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2ouq h THR 590 N 1.89 0.91 -0.26 0.44 2.02 -2.00 -1.24 112.91 114.66 2ouq h THR 590 Ca 0.27 -0.19 -0.01 0.00 0.77 0.00 0.00 66.41 67.25 2ouq h THR 590 Cb 1.12 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 2ouq h THR 590 CO 0.52 0.10 0.13 0.24 0.37 0.00 0.00 175.52 176.88 2ouq h MET 591 N 0.57 0.38 -0.78 6.66 2.86 -1.96 -2.00 114.93 120.66 2ouq h MET 591 Ca 0.28 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.84 2ouq h MET 591 Cb 0.23 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 31.79 2ouq h MET 591 CO -0.21 0.37 0.35 0.93 1.06 0.00 0.00 176.91 179.41 2ouq h GLU 592 N 0.29 1.13 0.00 1.72 3.07 -1.81 0.19 114.58 119.17 2ouq h GLU 592 Ca 0.09 -0.18 -0.06 0.00 -0.50 0.00 0.00 59.36 58.71 2ouq h GLU 592 Cb 0.11 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 27.82 2ouq h GLU 592 CO -0.01 0.89 -0.27 1.96 -1.40 0.00 0.00 179.01 180.18 2ouq h GLN 593 N 1.11 0.00 -0.08 2.33 4.20 -1.15 -1.56 115.11 119.96 2ouq h GLN 593 Ca 0.26 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.90 2ouq h GLN 593 Cb 0.15 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.93 2ouq h GLN 593 CO -0.03 0.27 -0.24 1.25 -0.67 0.00 0.00 178.83 179.41 2ouq h HIS 594 N 0.00 0.39 -0.95 2.96 2.76 -0.48 -2.74 115.15 117.08 2ouq h HIS 594 Ca -0.00 -0.16 0.12 0.00 -2.20 0.00 0.00 60.37 58.13 2ouq h HIS 594 Cb 0.53 -0.07 -0.08 0.00 1.55 0.00 0.00 27.41 29.35 2ouq h HIS 594 CO 0.00 0.86 0.61 0.45 -1.30 0.00 0.00 177.93 178.54 2ouq h HIS 595 N -0.19 1.02 -0.26 5.26 3.86 -0.19 -1.75 115.15 122.89 2ouq h HIS 595 Ca -0.01 0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.17 2ouq h HIS 595 Cb 0.86 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 29.00 2ouq h HIS 595 CO 0.12 0.40 -0.07 0.35 0.86 0.00 0.00 177.93 179.59 2ouq h PHE 596 N 0.89 0.58 -0.66 2.45 3.57 -1.24 -2.01 116.94 120.51 2ouq h PHE 596 Ca 0.47 -0.13 -0.01 0.00 3.53 0.00 0.00 57.97 61.83 2ouq h PHE 596 Cb 0.55 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 39.11 2ouq h PHE 596 CO -0.00 0.73 0.37 0.66 -2.23 0.00 0.00 178.31 177.83 2ouq h SER 597 N 0.26 0.81 -0.40 0.41 4.64 -1.12 0.35 113.55 118.51 2ouq h SER 597 Ca 0.07 -0.06 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2ouq h SER 597 Cb 0.55 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.42 2ouq h SER 597 CO 0.03 0.65 0.23 1.56 -0.87 0.00 0.00 176.83 178.43 2ouq h GLN 598 N 0.92 0.54 -0.47 4.77 1.08 -1.19 -0.03 115.11 120.73 2ouq h GLN 598 Ca 0.23 -0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 57.38 2ouq h GLN 598 Cb 0.02 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.31 2ouq h GLN 598 CO -0.04 0.41 0.29 1.15 -0.95 0.00 0.00 178.83 179.69 2ouq h THR 599 N 0.52 1.14 0.01 -0.54 2.02 -0.52 -2.18 112.91 113.37 2ouq h THR 599 Ca 0.14 -0.32 0.01 0.00 0.77 0.00 0.00 66.41 67.02 2ouq h THR 599 Cb 0.02 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 66.92 2ouq h THR 599 CO -0.03 0.14 -0.08 0.58 0.37 0.00 0.00 175.52 176.51 2ouq h VAL 600 N 0.62 0.79 -0.65 3.16 2.07 -0.58 -2.26 116.25 119.41 2ouq h VAL 600 Ca 0.17 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.82 2ouq h VAL 600 Cb -0.01 0.79 -0.10 0.00 -1.52 0.00 0.00 31.29 30.46 2ouq h VAL 600 CO -0.03 0.00 0.13 0.28 0.02 0.00 0.00 177.57 177.97 2ouq h SER 601 N -0.15 -0.02 -0.57 0.57 0.02 -0.72 0.81 113.55 113.50 2ouq h SER 601 Ca 0.03 0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 61.08 2ouq h SER 601 Cb 0.18 0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.87 2ouq h SER 601 CO -0.08 -0.01 0.27 0.40 -1.14 0.00 0.00 176.83 176.27 2ouq h ILE 602 N 0.25 1.20 0.00 3.27 2.04 -1.09 -0.07 117.51 123.12 2ouq h ILE 602 Ca 0.35 -0.59 0.00 0.00 1.00 0.00 0.00 64.86 65.62 2ouq h ILE 602 Cb 0.55 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 37.08 2ouq h ILE 602 CO -0.45 0.24 0.00 -0.07 0.00 0.00 0.00 178.15 177.87 2ouq h LEU 603 N 0.85 0.00 -1.99 1.44 3.38 -0.31 -2.21 115.31 116.47 2ouq h LEU 603 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2ouq h LEU 603 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2ouq h LEU 603 CO -0.02 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.51 2ouq n GLN 604 N -3.01 2.26 -3.55 1.13 6.02 -0.06 -3.81 117.38 116.36 2ouq n GLN 604 Ca 0.00 -1.95 -0.36 0.00 -0.01 0.00 0.00 57.00 54.68 2ouq n GLN 604 Cb 0.27 -1.44 -0.06 0.00 1.02 0.00 0.00 30.24 30.04 2ouq n GLN 604 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2ouq s LEU 605 N -1.11 4.38 0.10 1.08 1.43 -0.83 -5.02 118.68 118.72 2ouq s LEU 605 Ca 0.37 0.84 -0.36 0.00 -1.03 0.00 0.00 54.13 53.95 2ouq s LEU 605 Cb 0.20 -2.88 -0.17 0.00 0.03 0.00 0.00 46.19 43.37 2ouq s LEU 605 CO 0.26 0.21 1.28 1.21 0.23 0.00 0.00 176.35 179.54 2ouq n GLU 606 N 1.15 1.10 -1.88 1.70 2.13 -1.26 -1.31 120.64 122.26 2ouq n GLU 606 Ca -0.10 0.39 -0.18 0.00 0.66 0.00 0.00 57.16 57.94 2ouq n GLU 606 Cb 0.52 -1.99 -0.05 0.00 0.27 0.00 0.00 31.44 30.20 2ouq n GLU 606 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2ouq n GLY 607 N 2.35 0.80 0.00 8.31 0.00 -1.26 -4.84 105.19 110.55 2ouq n GLY 607 Ca 0.18 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2ouq n GLY 607 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2ouq n HIS 608 N -3.17 0.00 -1.62 1.61 8.25 -0.43 -4.72 115.22 115.13 2ouq n HIS 608 Ca -0.19 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 56.97 2ouq n HIS 608 Cb 0.62 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.65 2ouq n HIS 608 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 2ouq n ASN 609 N -0.98 2.37 0.21 0.41 6.94 -1.25 -4.69 115.26 118.28 2ouq n ASN 609 Ca 0.00 -2.63 0.15 0.00 -0.02 0.00 0.00 54.58 52.08 2ouq n ASN 609 Cb 0.01 -1.49 0.70 0.00 -2.36 0.00 0.00 39.78 36.63 2ouq n ASN 609 CO 0.00 0.00 0.00 0.16 -1.03 0.00 0.00 177.26 176.39 2ouq h ILE 610 N 5.84 0.00 -0.68 1.53 3.07 -1.90 -2.27 117.51 123.10 2ouq h ILE 610 Ca 0.21 -0.21 0.00 0.00 1.55 0.00 0.00 64.86 66.41 2ouq h ILE 610 Cb 0.88 1.01 0.00 0.00 -0.27 0.00 0.00 36.82 38.43 2ouq h ILE 610 CO 1.40 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 178.99 2ouq n PHE 611 N -2.62 0.90 -0.30 0.16 0.99 -1.26 -4.65 117.46 110.68 2ouq n PHE 611 Ca -0.00 -0.45 0.14 0.00 -0.00 0.00 0.00 57.45 57.14 2ouq n PHE 611 Cb 0.18 0.00 0.32 0.00 -1.00 0.00 0.00 39.48 38.97 2ouq n PHE 611 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 2ouq h SER 612 N 4.36 0.16 0.00 4.37 4.64 -1.80 0.70 113.55 125.98 2ouq h SER 612 Ca 0.00 0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 2ouq h SER 612 Cb 0.99 0.21 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2ouq h SER 612 CO 0.00 -0.11 0.00 0.35 -0.87 0.00 0.00 176.83 176.20 2ouq n THR 613 N -5.15 0.00 -4.06 2.95 -2.24 -1.26 -4.76 114.28 99.76 2ouq n THR 613 Ca 0.23 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.69 2ouq n THR 613 Cb 0.71 -0.28 -0.06 0.00 -2.10 0.00 0.00 70.33 68.60 2ouq n THR 613 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2ouq s LEU 614 N -0.23 3.95 0.79 3.22 1.02 0.24 -5.10 118.68 122.57 2ouq s LEU 614 Ca 0.00 0.13 -0.11 0.00 0.02 0.00 0.00 54.13 54.18 2ouq s LEU 614 Cb 0.00 -2.41 0.06 0.00 0.02 0.00 0.00 46.19 43.86 2ouq s LEU 614 CO 0.00 0.24 1.09 -0.94 0.02 0.00 0.00 176.35 176.76 2ouq s SER 615 N -1.98 4.43 0.35 2.29 1.04 -1.26 -4.71 113.70 113.85 2ouq s SER 615 Ca 0.26 1.72 0.09 0.00 0.48 0.00 0.00 55.95 58.51 2ouq s SER 615 Cb -0.12 -2.44 0.83 0.00 0.10 0.00 0.00 66.02 64.38 2ouq s SER 615 CO 0.18 -2.07 1.83 0.77 0.98 0.00 0.00 173.24 174.93 2ouq h SER 616 N -1.15 0.67 0.35 7.02 4.64 -1.99 -0.44 113.55 122.65 2ouq h SER 616 Ca -0.45 0.06 -0.02 0.00 -0.47 0.00 0.00 61.79 60.92 2ouq h SER 616 Cb 1.24 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2ouq h SER 616 CO 0.53 0.29 -0.17 0.28 -0.87 0.00 0.00 176.83 176.89 2ouq h SER 617 N 0.68 -0.40 -0.43 4.97 0.02 -1.99 -2.39 113.55 114.02 2ouq h SER 617 Ca 0.50 -0.16 0.04 0.00 -0.84 0.00 0.00 61.79 61.34 2ouq h SER 617 Cb 0.87 0.10 -0.04 0.00 0.14 0.00 0.00 62.40 63.47 2ouq h SER 617 CO -0.26 -0.00 0.19 -0.33 -1.14 0.00 0.00 176.83 175.29 2ouq h GLU 618 N -0.87 0.38 -0.62 3.45 5.08 -1.82 0.91 114.58 121.10 2ouq h GLU 618 Ca -0.05 -0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.38 2ouq h GLU 618 Cb 0.53 -0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.63 2ouq h GLU 618 CO 0.08 0.25 0.26 -0.92 -1.00 0.00 0.00 179.01 177.68 2ouq h TYR 619 N 0.39 0.45 -0.74 4.33 3.20 -1.16 0.24 116.97 123.68 2ouq h TYR 619 Ca 0.19 0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.10 2ouq h TYR 619 Cb 0.12 -0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.24 2ouq h TYR 619 CO -0.12 0.14 0.49 1.49 -1.64 0.00 0.00 178.16 178.52 2ouq h GLU 620 N 0.46 0.95 -0.52 1.82 4.81 -0.73 -2.28 114.58 119.09 2ouq h GLU 620 Ca 0.31 -0.06 -0.12 0.00 -0.13 0.00 0.00 59.36 59.36 2ouq h GLU 620 Cb 0.35 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 2ouq h GLU 620 CO -0.28 0.63 -0.15 1.96 -0.73 0.00 0.00 179.01 180.44 2ouq h GLN 621 N 0.98 1.02 -0.45 1.92 4.20 0.97 -2.90 115.11 120.85 2ouq h GLN 621 Ca 0.28 -0.40 -0.14 0.00 0.06 0.00 0.00 58.65 58.45 2ouq h GLN 621 Cb -0.08 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.64 2ouq h GLN 621 CO -0.08 1.09 -0.27 -0.24 -0.67 0.00 0.00 178.83 178.67 2ouq h VAL 622 N 0.90 1.27 -0.69 -0.54 3.04 -0.38 -1.39 116.25 118.46 2ouq h VAL 622 Ca 0.13 -1.43 -0.03 0.00 -1.01 0.00 0.00 66.70 64.35 2ouq h VAL 622 Cb 0.72 1.20 -0.03 0.00 -2.01 0.00 0.00 31.29 31.17 2ouq h VAL 622 CO 0.06 0.49 0.29 -0.07 -1.01 0.00 0.00 177.57 177.33 2ouq h LEU 623 N 0.82 0.92 -0.30 3.16 3.38 -1.43 0.40 115.31 122.26 2ouq h LEU 623 Ca 0.10 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 2ouq h LEU 623 Cb 0.85 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 2ouq h LEU 623 CO 0.07 0.81 0.09 -0.33 0.09 0.00 0.00 178.44 179.17 2ouq h GLU 624 N 0.99 0.46 -0.39 1.13 4.39 -1.30 0.29 114.58 120.14 2ouq h GLU 624 Ca 0.23 -0.10 0.06 0.00 0.34 0.00 0.00 59.36 59.89 2ouq h GLU 624 Cb 0.17 -0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 28.70 2ouq h GLU 624 CO -0.02 0.53 0.07 0.82 -1.16 0.00 0.00 179.01 179.24 2ouq h ILE 625 N 0.32 0.79 -0.42 3.13 2.04 -0.68 -0.38 117.51 122.31 2ouq h ILE 625 Ca 0.09 -0.07 -0.04 0.00 1.00 0.00 0.00 64.86 65.85 2ouq h ILE 625 Cb 0.26 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 2ouq h ILE 625 CO -0.00 0.04 0.10 0.40 0.00 0.00 0.00 178.15 178.68 2ouq h ILE 626 N 0.20 1.23 -0.17 -0.67 2.04 -0.60 -1.21 117.51 118.33 2ouq h ILE 626 Ca 0.19 -0.80 -0.00 0.00 1.00 0.00 0.00 64.86 65.25 2ouq h ILE 626 Cb 0.23 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 2ouq h ILE 626 CO -0.25 0.28 0.10 -0.09 0.00 0.00 0.00 178.15 178.19 2ouq h ARG 627 N 0.54 0.23 -0.86 2.37 2.43 0.01 -0.51 114.38 118.59 2ouq h ARG 627 Ca 0.13 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.25 2ouq h ARG 627 Cb 0.32 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.78 2ouq h ARG 627 CO 0.00 0.21 0.42 0.87 -1.51 0.00 0.00 179.97 179.96 2ouq h LYS 628 N 0.19 1.23 -0.54 0.20 1.57 -1.02 -0.95 116.57 117.26 2ouq h LYS 628 Ca 0.06 -0.18 -0.09 0.00 -1.87 0.00 0.00 60.65 58.57 2ouq h LYS 628 Cb 0.04 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.11 2ouq h LYS 628 CO -0.01 0.94 -0.01 0.00 -0.57 0.00 0.00 179.45 179.80 2ouq h ALA 629 N 1.23 0.72 -0.28 3.86 0.00 -0.94 -1.50 119.26 122.36 2ouq h ALA 629 Ca 0.30 -0.30 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 2ouq h ALA 629 Cb 0.11 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 2ouq h ALA 629 CO -0.04 0.56 -0.52 0.82 0.00 0.00 0.00 179.25 180.07 2ouq h ILE 630 N 0.83 1.28 -0.39 0.00 2.04 -0.90 -3.02 117.51 117.36 2ouq h ILE 630 Ca 0.15 -1.71 -0.07 0.00 1.00 0.00 0.00 64.86 64.23 2ouq h ILE 630 Cb 0.55 1.62 -0.02 0.00 -0.74 0.00 0.00 36.82 38.23 2ouq h ILE 630 CO 0.03 0.55 -0.03 0.40 0.00 0.00 0.00 178.15 179.10 2ouq h ILE 631 N 0.62 1.23 0.00 -0.67 1.08 -1.08 -2.29 117.51 116.40 2ouq h ILE 631 Ca 0.02 -0.94 0.00 0.00 -0.39 0.00 0.00 64.86 63.55 2ouq h ILE 631 Cb 1.11 0.97 0.00 0.00 -3.07 0.00 0.00 36.82 35.82 2ouq h ILE 631 CO 0.11 0.32 0.00 0.00 -0.69 0.00 0.00 178.15 177.90 2ouq n ALA 632 N -2.48 1.39 1.51 1.87 0.00 -0.57 -2.06 120.51 120.17 2ouq n ALA 632 Ca 0.02 0.10 0.13 0.00 0.00 0.00 0.00 53.44 53.68 2ouq n ALA 632 Cb 0.29 -1.30 0.74 0.00 0.00 0.00 0.00 19.45 19.17 2ouq n ALA 632 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2ouq n THR 633 N -2.07 0.05 -2.52 0.00 -2.24 -0.86 -4.54 114.28 102.11 2ouq n THR 633 Ca 0.01 0.01 -0.42 0.00 -2.27 0.00 0.00 64.05 61.38 2ouq n THR 633 Cb 0.13 -0.60 -0.03 0.00 -2.10 0.00 0.00 70.33 67.73 2ouq n THR 633 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2ouq s ASP 634 N -2.15 6.30 0.61 3.42 -1.08 -0.88 -4.86 116.67 118.04 2ouq s ASP 634 Ca 0.35 0.09 0.29 0.00 -0.52 0.00 0.00 52.55 52.76 2ouq s ASP 634 Cb 0.18 -2.55 1.49 0.00 -1.46 0.00 0.00 42.92 40.57 2ouq s ASP 634 CO 0.32 -1.61 1.89 0.25 0.52 0.00 0.00 175.17 176.55 2ouq h LEU 635 N 12.46 0.00 -1.70 -1.34 5.85 -1.90 -0.04 115.31 128.64 2ouq h LEU 635 Ca -0.26 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.43 2ouq h LEU 635 Cb 1.07 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.09 2ouq h LEU 635 CO 1.20 0.00 -0.16 0.00 -0.34 0.00 0.00 178.44 179.14 2ouq h ALA 636 N 1.41 1.70 0.00 1.25 0.00 -1.93 -2.32 119.26 119.37 2ouq h ALA 636 Ca 0.16 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 2ouq h ALA 636 Cb 1.07 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2ouq h ALA 636 CO -0.00 0.20 -0.72 -0.07 0.00 0.00 0.00 179.25 178.66 2ouq h LEU 637 N 0.00 0.00 -0.12 0.00 3.38 -1.34 -3.37 115.31 113.86 2ouq h LEU 637 Ca -0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 2ouq h LEU 637 Cb 0.29 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 2ouq h LEU 637 CO 0.02 0.32 -0.17 0.22 0.09 0.00 0.00 178.44 178.92 2ouq h TYR 638 N 0.00 -0.43 -0.51 1.13 3.20 -1.42 -2.32 116.97 116.62 2ouq h TYR 638 Ca -0.04 0.02 0.10 0.00 3.14 0.00 0.00 58.73 61.95 2ouq h TYR 638 Cb 1.28 0.21 -0.10 0.00 1.54 0.00 0.00 36.73 39.66 2ouq h TYR 638 CO 0.00 -0.24 -0.25 0.74 -1.64 0.00 0.00 178.16 176.76 2ouq h PHE 639 N -0.21 -0.66 -0.40 -3.82 -1.00 -1.73 0.32 116.94 109.43 2ouq h PHE 639 Ca 0.09 0.06 -0.06 0.00 2.81 0.00 0.00 57.97 60.88 2ouq h PHE 639 Cb 0.35 0.37 -0.02 0.00 3.61 0.00 0.00 35.95 40.26 2ouq h PHE 639 CO -0.28 -0.33 0.03 0.78 -1.61 0.00 0.00 178.31 176.90 2ouq h GLY 640 N -0.13 0.75 0.68 -1.45 0.00 -1.79 -2.16 103.07 98.96 2ouq h GLY 640 Ca 0.23 -0.53 0.04 0.00 0.00 0.00 0.00 47.33 47.07 2ouq h GLY 640 CO -0.59 0.49 0.11 -0.57 0.00 0.00 0.00 176.54 175.97 2ouq h ASN 641 N 0.53 0.10 -0.70 0.19 -0.00 -0.67 -1.04 115.58 114.00 2ouq h ASN 641 Ca 0.12 0.04 -0.06 0.00 -0.00 0.00 0.00 56.30 56.40 2ouq h ASN 641 Cb 0.43 0.04 -0.03 0.00 -0.00 0.00 0.00 38.32 38.76 2ouq h ASN 641 CO 0.02 0.09 0.22 -0.09 -0.00 0.00 0.00 177.43 177.67 2ouq h ARG 642 N 0.25 1.10 0.06 6.67 2.43 -0.33 -1.21 114.38 123.34 2ouq h ARG 642 Ca 0.16 -0.23 -0.00 0.00 -0.81 0.00 0.00 59.98 59.09 2ouq h ARG 642 Cb 0.14 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 2ouq h ARG 642 CO -0.17 0.94 -0.03 -0.22 -1.51 0.00 0.00 179.97 178.98 2ouq h LYS 643 N 1.06 -0.07 -0.77 0.20 3.64 -0.93 -0.70 116.57 118.99 2ouq h LYS 643 Ca 0.23 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.65 2ouq h LYS 643 Cb 0.30 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.09 2ouq h LYS 643 CO -0.01 0.06 0.49 1.96 -2.27 0.00 0.00 179.45 179.68 2ouq h GLN 644 N -0.19 0.91 -0.86 1.90 4.20 -1.05 -1.58 115.11 118.44 2ouq h GLN 644 Ca -0.01 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 2ouq h GLN 644 Cb 0.17 -0.21 -0.04 0.00 0.30 0.00 0.00 27.48 27.70 2ouq h GLN 644 CO 0.01 0.60 0.52 -0.07 -0.67 0.00 0.00 178.83 179.23 2ouq h LEU 645 N 0.94 1.04 -0.65 1.46 3.38 -0.97 -0.93 115.31 119.58 2ouq h LEU 645 Ca 0.31 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.17 2ouq h LEU 645 Cb 0.04 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 2ouq h LEU 645 CO -0.12 0.80 0.24 -0.08 0.09 0.00 0.00 178.44 179.37 2ouq h GLU 646 N 1.19 0.98 0.23 1.13 4.81 -0.39 -0.59 114.58 121.94 2ouq h GLU 646 Ca 0.31 -0.19 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 2ouq h GLU 646 Cb -0.05 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.18 2ouq h GLU 646 CO -0.06 0.84 -0.11 1.49 -0.73 0.00 0.00 179.01 180.44 2ouq h GLU 647 N 0.92 -0.30 -0.70 1.92 4.57 -0.88 -1.11 114.58 119.00 2ouq h GLU 647 Ca 0.21 0.02 0.08 0.00 -1.18 0.00 0.00 59.36 58.49 2ouq h GLU 647 Cb 0.24 0.07 -0.07 0.00 -0.16 0.00 0.00 28.75 28.83 2ouq h GLU 647 CO -0.01 -0.16 0.37 0.52 -1.18 0.00 0.00 179.01 178.55 2ouq h MET 648 N -0.37 0.63 0.37 1.92 2.86 -0.98 -0.64 114.93 118.72 2ouq h MET 648 Ca -0.03 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.55 2ouq h MET 648 Cb 0.28 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.80 2ouq h MET 648 CO 0.05 0.41 -0.18 -0.92 1.06 0.00 0.00 176.91 177.34 2ouq h TYR 649 N 0.65 -0.47 -0.13 -0.22 3.20 -0.94 0.11 116.97 119.18 2ouq h TYR 649 Ca 0.33 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.24 2ouq h TYR 649 Cb 0.30 0.15 -0.05 0.00 1.54 0.00 0.00 36.73 38.67 2ouq h TYR 649 CO -0.09 -0.23 -0.19 1.96 -1.64 0.00 0.00 178.16 177.96 2ouq h GLN 650 N -0.60 -0.23 0.00 1.82 4.20 -0.84 -2.11 115.11 117.35 2ouq h GLN 650 Ca -0.05 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.67 2ouq h GLN 650 Cb 0.44 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.27 2ouq h GLN 650 CO 0.08 -0.15 0.00 0.25 -0.67 0.00 0.00 178.83 178.34 2ouq n THR 651 N -5.33 0.14 -1.32 -0.54 -2.24 -0.28 -4.88 114.28 99.83 2ouq n THR 651 Ca -0.03 0.04 -0.09 0.00 -2.27 0.00 0.00 64.05 61.70 2ouq n THR 651 Cb 0.25 -0.65 -0.04 0.00 -2.10 0.00 0.00 70.33 67.79 2ouq n THR 651 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ouq n GLY 652 N 0.63 1.03 0.76 3.38 0.00 -0.70 -4.90 105.19 105.40 2ouq n GLY 652 Ca 0.14 -0.60 0.13 0.00 0.00 0.00 0.00 46.02 45.69 2ouq n GLY 652 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ouq n SER 653 N 0.48 2.37 -4.65 1.61 3.41 -0.06 -4.89 113.62 111.89 2ouq n SER 653 Ca -0.09 -1.78 -0.43 0.00 -0.26 0.00 0.00 58.87 56.31 2ouq n SER 653 Cb 0.32 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.25 2ouq n SER 653 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2ouq s LEU 654 N -2.01 4.18 -0.24 1.04 2.96 -0.92 -4.97 118.68 118.71 2ouq s LEU 654 Ca 0.32 1.89 0.01 0.00 -0.22 0.00 0.00 54.13 56.13 2ouq s LEU 654 Cb 0.20 -3.53 0.06 0.00 0.50 0.00 0.00 46.19 43.42 2ouq s LEU 654 CO 0.32 -0.94 -0.06 0.21 -1.32 0.00 0.00 176.35 174.56 2ouq s ASN 655 N 3.00 3.99 0.00 3.68 3.04 -1.26 -4.99 114.94 122.41 2ouq s ASN 655 Ca 0.66 -1.26 0.15 0.00 0.04 0.00 0.00 52.86 52.45 2ouq s ASN 655 Cb -0.27 -1.26 0.79 0.00 -1.54 0.00 0.00 41.25 38.97 2ouq s ASN 655 CO 0.24 -0.23 1.36 0.18 -3.04 0.00 0.00 177.10 175.61 2ouq n LEU 656 N 4.62 0.00 0.12 3.21 4.77 -1.26 -1.69 117.00 126.77 2ouq n LEU 656 Ca -0.12 0.18 0.12 0.00 -0.03 0.00 0.00 56.01 56.16 2ouq n LEU 656 Cb 0.44 -0.18 0.08 0.00 -2.33 0.00 0.00 43.42 41.42 2ouq n LEU 656 CO 0.18 -0.10 0.27 0.78 -1.33 0.00 0.00 177.39 177.20 2ouq h ASN 657 N 0.00 0.00 -3.34 -1.43 2.35 -1.99 -3.44 115.58 107.73 2ouq h ASN 657 Ca 0.00 -0.05 -0.59 0.00 -0.55 0.00 0.00 56.30 55.11 2ouq h ASN 657 Cb 0.09 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 38.38 2ouq h ASN 657 CO 0.00 0.03 0.65 0.21 -1.65 0.00 0.00 177.43 176.66 2ouq s ASN 658 N -5.23 6.83 0.20 5.81 3.84 -0.68 -4.95 114.94 120.76 2ouq s ASN 658 Ca 0.03 0.91 -0.11 0.00 0.21 0.00 0.00 52.86 53.90 2ouq s ASN 658 Cb 0.10 -2.48 0.26 0.00 -0.55 0.00 0.00 41.25 38.58 2ouq s ASN 658 CO 0.75 -0.75 1.72 -0.61 -2.79 0.00 0.00 177.10 175.42 2ouq h GLN 659 N 8.04 0.28 -0.96 0.43 5.75 -1.86 0.20 115.11 127.00 2ouq h GLN 659 Ca -0.22 -0.02 0.12 0.00 -0.15 0.00 0.00 58.65 58.39 2ouq h GLN 659 Cb 1.08 -0.06 -0.09 0.00 1.07 0.00 0.00 27.48 29.48 2ouq h GLN 659 CO 0.96 0.19 0.59 1.03 -2.65 0.00 0.00 178.83 178.95 2ouq h SER 660 N 0.29 0.85 -0.14 -0.69 0.87 -1.93 0.88 113.55 113.68 2ouq h SER 660 Ca 0.30 0.06 -0.19 0.00 -1.23 0.00 0.00 61.79 60.72 2ouq h SER 660 Cb 0.41 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 2ouq h SER 660 CO -0.36 0.43 -0.61 0.45 -0.53 0.00 0.00 176.83 176.22 2ouq h HIS 661 N 0.91 0.96 -0.60 2.24 3.86 -1.30 -2.82 115.15 118.41 2ouq h HIS 661 Ca 0.49 -0.36 -0.08 0.00 -1.16 0.00 0.00 60.37 59.26 2ouq h HIS 661 Cb 0.52 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.79 2ouq h HIS 661 CO -0.02 1.17 0.07 0.00 0.86 0.00 0.00 177.93 180.00 2ouq h ARG 662 N 0.56 0.99 -0.84 2.45 3.08 -0.07 -2.35 114.38 118.19 2ouq h ARG 662 Ca -0.00 -0.26 0.05 0.00 0.07 0.00 0.00 59.98 59.83 2ouq h ARG 662 Cb 1.21 -0.12 -0.06 0.00 0.08 0.00 0.00 29.97 31.08 2ouq h ARG 662 CO 0.13 0.93 0.53 -0.44 -1.07 0.00 0.00 179.97 180.04 2ouq h ASP 663 N 0.92 0.85 -0.34 7.04 3.32 -0.77 0.54 116.42 127.98 2ouq h ASP 663 Ca 0.18 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.21 2ouq h ASP 663 Cb 0.44 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 2ouq h ASP 663 CO 0.02 0.56 0.09 0.03 -1.72 0.00 0.00 179.24 178.22 2ouq h ARG 664 N 0.99 0.53 -0.74 3.56 3.08 -1.21 -0.65 114.38 119.95 2ouq h ARG 664 Ca 0.35 -0.12 -0.03 0.00 0.07 0.00 0.00 59.98 60.24 2ouq h ARG 664 Cb 0.10 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 2ouq h ARG 664 CO -0.15 0.58 0.32 0.28 -1.07 0.00 0.00 179.97 179.94 2ouq h VAL 665 N 0.39 1.25 -0.46 2.04 2.07 -0.91 -1.46 116.25 119.16 2ouq h VAL 665 Ca 0.11 -0.73 -0.07 0.00 0.82 0.00 0.00 66.70 66.83 2ouq h VAL 665 Cb 0.28 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 2ouq h VAL 665 CO -0.00 0.30 0.01 0.40 0.02 0.00 0.00 177.57 178.30 2ouq h ILE 666 N 1.05 1.23 -0.35 4.57 2.04 -0.76 -1.48 117.51 123.81 2ouq h ILE 666 Ca 0.25 -0.96 -0.02 0.00 1.00 0.00 0.00 64.86 65.14 2ouq h ILE 666 Cb 0.17 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 2ouq h ILE 666 CO -0.03 0.34 0.15 1.23 0.00 0.00 0.00 178.15 179.84 2ouq h GLY 667 N 0.96 0.55 1.02 5.37 0.00 -0.43 -1.20 103.07 109.35 2ouq h GLY 667 Ca 0.14 -0.29 -0.02 0.00 0.00 0.00 0.00 47.33 47.16 2ouq h GLY 667 CO 0.02 0.28 0.44 -2.00 0.00 0.00 0.00 176.54 175.28 2ouq h LEU 668 N 0.42 1.06 -0.88 3.11 5.85 -1.03 -1.50 115.31 122.34 2ouq h LEU 668 Ca 0.12 -0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.75 2ouq h LEU 668 Cb 0.16 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 40.87 2ouq h LEU 668 CO -0.01 0.87 0.57 0.24 -0.34 0.00 0.00 178.44 179.77 2ouq h MET 669 N 1.17 1.10 -0.85 1.25 2.86 -0.93 0.57 114.93 120.10 2ouq h MET 669 Ca 0.29 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.83 2ouq h MET 669 Cb 0.05 -0.25 -0.04 0.00 0.06 0.00 0.00 31.60 31.43 2ouq h MET 669 CO -0.04 0.73 0.40 0.52 1.06 0.00 0.00 176.91 179.58 2ouq h MET 670 N 1.14 1.23 -0.20 1.72 2.86 -0.27 0.15 114.93 121.56 2ouq h MET 670 Ca 0.34 -0.19 -0.02 0.00 -2.06 0.00 0.00 59.70 57.78 2ouq h MET 670 Cb -0.04 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.39 2ouq h MET 670 CO -0.10 0.95 0.06 1.15 1.06 0.00 0.00 176.91 180.03 2ouq h THR 671 N 1.22 1.19 -0.66 2.22 2.02 -0.51 0.73 112.91 119.12 2ouq h THR 671 Ca 0.29 -0.60 0.08 0.00 0.77 0.00 0.00 66.41 66.95 2ouq h THR 671 Cb 0.13 1.20 -0.06 0.00 -1.74 0.00 0.00 68.15 67.68 2ouq h THR 671 CO -0.04 0.19 0.33 0.00 0.37 0.00 0.00 175.52 176.37 2ouq h ALA 672 N 0.88 0.88 -0.30 6.16 0.00 -0.47 -1.20 119.26 125.22 2ouq h ALA 672 Ca 0.06 0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.86 2ouq h ALA 672 Cb 0.23 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2ouq h ALA 672 CO -0.00 -0.05 -0.44 0.00 0.00 0.00 0.00 179.25 178.75 2ouq h ASP 674 N 0.60 0.11 -0.62 0.00 3.58 -0.19 -2.39 116.42 117.51 2ouq h ASP 674 Ca 0.03 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.47 2ouq h ASP 674 Cb 1.05 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.07 2ouq h ASP 674 CO 0.10 0.13 0.00 0.18 -2.88 0.00 0.00 179.24 176.77 2ouq n LEU 675 N -4.47 3.83 0.00 2.28 4.77 -0.51 -4.70 117.00 118.20 2ouq n LEU 675 Ca -0.02 -2.09 0.00 0.00 -0.03 0.00 0.00 56.01 53.87 2ouq n LEU 675 Cb 0.13 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 2ouq n LEU 675 CO 0.35 0.89 0.40 0.00 -1.33 0.00 0.00 177.39 177.70 2ouq h SER 677 N 0.00 0.00 0.12 0.00 0.02 -1.85 -0.04 113.55 111.80 2ouq h SER 677 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2ouq h SER 677 Cb 0.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.57 2ouq h SER 677 CO 0.00 0.05 -0.00 1.33 -1.14 0.00 0.00 176.83 177.07 2ouq n VAL 678 N -3.47 0.00 -0.38 2.27 0.24 -0.87 -3.35 118.33 112.76 2ouq n VAL 678 Ca -0.02 -0.01 0.07 0.00 -2.04 0.00 0.00 64.34 62.33 2ouq n VAL 678 Cb 0.18 -0.44 0.20 0.00 -1.47 0.00 0.00 33.84 32.30 2ouq n VAL 678 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2ouq n THR 679 N -1.00 1.32 -2.57 3.34 -2.24 -0.03 -3.96 114.28 109.14 2ouq n THR 679 Ca 0.22 -1.20 -0.24 0.00 -2.27 0.00 0.00 64.05 60.56 2ouq n THR 679 Cb 0.15 0.32 0.11 0.00 -2.10 0.00 0.00 70.33 68.81 2ouq n THR 679 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2ouq s LYS 680 N -1.43 1.71 0.50 -0.78 -0.14 -1.21 -4.48 119.74 113.91 2ouq s LYS 680 Ca 0.30 -1.07 -0.21 0.00 -1.36 0.00 0.00 55.97 53.62 2ouq s LYS 680 Cb 0.19 -2.33 -0.06 0.00 -1.68 0.00 0.00 37.83 33.94 2ouq s LYS 680 CO 0.16 -1.43 1.17 -0.51 -0.76 0.00 0.00 175.35 173.97 2ouq s LEU 681 N -5.14 3.89 0.25 3.17 1.43 -1.26 -4.63 118.68 116.39 2ouq s LEU 681 Ca 0.66 2.29 -0.10 0.00 -1.03 0.00 0.00 54.13 55.95 2ouq s LEU 681 Cb -0.06 -4.39 0.38 0.00 0.03 0.00 0.00 46.19 42.16 2ouq s LEU 681 CO 0.44 -1.10 1.59 -0.25 0.23 0.00 0.00 176.35 177.26 2ouq h TRP 682 N 1.64 -0.43 -0.18 0.29 -0.00 -1.96 0.15 115.95 115.46 2ouq h TRP 682 Ca -0.50 0.08 0.05 0.00 -0.00 0.00 0.00 58.89 58.52 2ouq h TRP 682 Cb 1.26 0.32 -0.01 0.00 -0.00 0.00 0.00 29.16 30.73 2ouq h TRP 682 CO 0.52 -0.36 0.18 -1.35 -0.00 0.00 0.00 178.44 177.42 2ouq h PRO 683 N 0.00 0.00 0.06 2.65 0.11 -2.00 0.20 132.00 133.02 2ouq h PRO 683 Ca 0.41 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 66.25 2ouq h PRO 683 Cb 0.64 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.73 2ouq h PRO 683 CO -0.87 0.00 -1.46 0.28 -0.21 0.00 0.00 178.00 175.74 2ouq h VAL 684 N 0.00 0.88 -0.69 3.15 2.07 -1.13 -3.37 116.25 117.16 2ouq h VAL 684 Ca 0.08 -2.27 -0.08 0.00 0.82 0.00 0.00 66.70 65.25 2ouq h VAL 684 Cb 0.44 2.43 -0.03 0.00 -1.52 0.00 0.00 31.29 32.62 2ouq h VAL 684 CO -0.00 0.57 0.12 0.74 0.02 0.00 0.00 177.57 179.02 2ouq h THR 685 N -0.56 1.27 -0.18 2.57 2.02 -0.80 -2.84 112.91 114.39 2ouq h THR 685 Ca -0.35 -1.03 0.05 0.00 0.77 0.00 0.00 66.41 65.85 2ouq h THR 685 Cb 1.59 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 68.60 2ouq h THR 685 CO -0.07 0.39 0.16 0.07 0.37 0.00 0.00 175.52 176.45 2ouq h LYS 686 N 1.06 0.00 -0.00 6.66 2.10 -0.80 0.75 116.57 126.33 2ouq h LYS 686 Ca 0.21 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.86 2ouq h LYS 686 Cb 0.43 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.76 2ouq h LYS 686 CO 0.01 0.00 -0.04 1.28 -2.00 0.00 0.00 179.45 178.70 2ouq n LEU 687 N -4.07 0.45 -0.96 7.07 4.77 -1.07 -3.45 117.00 119.74 2ouq n LEU 687 Ca 0.01 -0.06 0.08 0.00 -0.03 0.00 0.00 56.01 56.01 2ouq n LEU 687 Cb 0.29 -0.10 0.23 0.00 -2.33 0.00 0.00 43.42 41.52 2ouq n LEU 687 CO 0.31 0.08 0.70 0.35 -1.33 0.00 0.00 177.39 177.49 2ouq n THR 688 N -0.80 1.42 -0.32 -5.08 -2.24 0.26 -4.70 114.28 102.81 2ouq n THR 688 Ca 0.18 -1.21 0.19 0.00 -2.27 0.00 0.00 64.05 60.95 2ouq n THR 688 Cb 0.23 0.28 0.45 0.00 -2.10 0.00 0.00 70.33 69.19 2ouq n THR 688 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ouq h ALA 689 N 2.66 2.03 0.00 6.98 0.00 -1.61 -1.29 119.26 128.03 2ouq h ALA 689 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2ouq h ALA 689 Cb 1.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2ouq h ALA 689 CO 0.09 -0.42 0.00 0.09 0.00 0.00 0.00 179.25 179.01 2ouq n ASN 690 N -4.69 0.28 -0.16 0.00 3.02 -1.26 -4.14 115.26 108.32 2ouq n ASN 690 Ca 0.24 0.53 -0.02 0.00 -0.03 0.00 0.00 54.58 55.30 2ouq n ASN 690 Cb 0.76 -0.60 0.06 0.00 -0.61 0.00 0.00 39.78 39.39 2ouq n ASN 690 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 2ouq h ASP 691 N 0.00 -0.16 0.58 6.41 3.32 -1.59 -1.43 116.42 123.55 2ouq h ASP 691 Ca 0.00 0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.16 2ouq h ASP 691 Cb 0.56 0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.30 2ouq h ASP 691 CO 0.00 -0.05 0.00 2.30 -1.72 0.00 0.00 179.24 179.77 2ouq n ILE 692 N -5.20 0.93 1.01 0.35 -5.35 -1.26 -2.00 119.36 107.84 2ouq n ILE 692 Ca 0.06 0.30 0.11 0.00 -0.27 0.00 0.00 62.75 62.95 2ouq n ILE 692 Cb 0.27 -1.21 0.05 0.00 -1.74 0.00 0.00 39.64 37.00 2ouq n ILE 692 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 2ouq n TYR 693 N -2.08 0.00 -0.26 4.28 4.02 -0.57 -4.55 117.16 118.00 2ouq n TYR 693 Ca 0.02 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.87 2ouq n TYR 693 Cb 0.19 -0.10 0.02 0.00 -0.02 0.00 0.00 39.34 39.42 2ouq n TYR 693 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2ouq h ALA 694 N 3.05 0.02 0.00 -0.72 0.00 -1.07 -0.41 119.26 120.13 2ouq h ALA 694 Ca 0.00 0.20 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 2ouq h ALA 694 Cb 0.51 0.85 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 2ouq h ALA 694 CO 0.00 -0.66 -0.22 0.93 0.00 0.00 0.00 179.25 179.30 2ouq h GLU 695 N -0.12 0.00 -0.06 0.00 5.08 -1.80 -1.46 114.58 116.23 2ouq h GLU 695 Ca 0.27 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.51 2ouq h GLU 695 Cb 0.56 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.82 2ouq h GLU 695 CO -0.77 0.22 -0.43 0.74 -1.00 0.00 0.00 179.01 177.77 2ouq h PHE 696 N 0.00 0.55 0.00 4.33 0.04 -1.41 -3.13 116.94 117.32 2ouq h PHE 696 Ca -0.00 -0.25 -0.05 0.00 2.80 0.00 0.00 57.97 60.47 2ouq h PHE 696 Cb 0.53 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 38.59 2ouq h PHE 696 CO 0.00 1.03 -0.22 -1.49 -0.60 0.00 0.00 178.31 177.02 2ouq h TRP 697 N -0.09 0.00 -0.40 -0.55 6.55 -1.09 -2.03 115.95 118.34 2ouq h TRP 697 Ca -0.04 0.00 -0.12 0.00 0.95 0.00 0.00 58.89 59.68 2ouq h TRP 697 Cb 1.10 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 29.39 2ouq h TRP 697 CO 0.13 0.22 -0.23 0.00 -1.05 0.00 0.00 178.44 177.51 2ouq h ALA 698 N 1.78 0.57 -0.31 1.49 0.00 -1.31 0.19 119.26 121.65 2ouq h ALA 698 Ca -0.00 -0.39 -0.13 0.00 0.00 0.00 0.00 54.91 54.39 2ouq h ALA 698 Cb 0.86 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2ouq h ALA 698 CO 0.03 0.55 -0.33 1.49 0.00 0.00 0.00 179.25 180.99 2ouq h GLU 699 N 0.67 0.68 -0.48 0.00 4.81 -1.46 -2.56 114.58 116.24 2ouq h GLU 699 Ca 0.08 -0.32 -0.12 0.00 -0.13 0.00 0.00 59.36 58.88 2ouq h GLU 699 Cb 0.80 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.16 2ouq h GLU 699 CO 0.07 0.92 -0.17 0.78 -0.73 0.00 0.00 179.01 179.88 2ouq h GLY 700 N 0.98 1.02 0.97 1.92 0.00 -1.14 -2.54 103.07 104.28 2ouq h GLY 700 Ca 0.06 -0.86 0.02 0.00 0.00 0.00 0.00 47.33 46.55 2ouq h GLY 700 CO 0.07 0.78 0.65 -0.55 0.00 0.00 0.00 176.54 177.49 2ouq h ASP 701 N 0.83 1.11 -0.75 0.19 3.32 -0.41 -0.33 116.42 120.38 2ouq h ASP 701 Ca 0.12 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.09 2ouq h ASP 701 Cb 0.72 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.97 2ouq h ASP 701 CO 0.06 0.79 0.24 -0.33 -1.72 0.00 0.00 179.24 178.28 2ouq h GLU 702 N 1.30 1.17 -0.51 3.56 4.39 -1.27 -1.54 114.58 121.68 2ouq h GLU 702 Ca 0.37 -0.25 -0.00 0.00 0.34 0.00 0.00 59.36 59.82 2ouq h GLU 702 Cb -0.11 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.35 2ouq h GLU 702 CO -0.09 0.98 0.30 0.52 -1.16 0.00 0.00 179.01 179.56 2ouq h MET 703 N 1.12 0.69 -0.46 2.33 2.86 -0.90 -2.09 114.93 118.48 2ouq h MET 703 Ca 0.24 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.81 2ouq h MET 703 Cb 0.30 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 2ouq h MET 703 CO -0.01 0.51 0.26 0.87 1.06 0.00 0.00 176.91 179.60 2ouq h LYS 704 N 0.68 0.62 -0.05 1.72 1.57 -0.66 -0.30 116.57 120.15 2ouq h LYS 704 Ca 0.18 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.92 2ouq h LYS 704 Cb 0.00 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.18 2ouq h LYS 704 CO -0.03 0.45 0.04 0.87 -0.57 0.00 0.00 179.45 180.20 2ouq h LYS 705 N 0.63 0.00 -0.40 3.15 1.57 -0.58 0.19 116.57 121.13 2ouq h LYS 705 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 2ouq h LYS 705 Cb -0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2ouq h LYS 705 CO -0.03 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.13 2ouq n LEU 706 N -4.46 1.99 -0.03 2.94 4.77 -0.19 -4.88 117.00 117.14 2ouq n LEU 706 Ca -0.02 -1.00 -0.00 0.00 -0.03 0.00 0.00 56.01 54.96 2ouq n LEU 706 Cb 0.14 -0.27 -0.00 0.00 -2.33 0.00 0.00 43.42 40.96 2ouq n LEU 706 CO 0.34 0.46 -0.00 0.61 -1.33 0.00 0.00 177.39 177.46 2ouq n GLY 707 N 0.96 0.44 3.57 -0.72 0.00 0.66 -5.00 105.19 105.10 2ouq n GLY 707 Ca 0.12 -0.11 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 2ouq n GLY 707 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ouq s ILE 708 N -1.86 5.20 -0.51 -0.61 1.01 -0.80 -4.98 121.20 118.65 2ouq s ILE 708 Ca 0.00 0.24 -0.28 0.00 0.00 0.00 0.00 60.65 60.61 2ouq s ILE 708 Cb 0.00 -3.72 0.01 0.00 0.01 0.00 0.00 42.46 38.76 2ouq s ILE 708 CO 0.00 0.06 1.50 -1.58 0.00 0.00 0.00 174.94 174.92 2ouq s GLN 709 N 1.98 3.29 0.90 2.79 2.00 -1.26 -3.08 119.66 126.28 2ouq s GLN 709 Ca 0.12 0.67 -0.11 0.00 -2.00 0.00 0.00 55.36 54.04 2ouq s GLN 709 Cb -0.16 -4.14 0.13 0.00 0.80 0.00 0.00 33.01 29.64 2ouq s GLN 709 CO 0.11 -1.93 1.12 -1.25 -0.50 0.00 0.00 175.29 172.83 2ouq s PRO 710 N 5.56 1.18 0.59 1.67 0.04 -1.26 -4.99 135.00 137.79 2ouq s PRO 710 Ca 0.58 1.32 -0.19 0.00 0.04 0.00 0.00 61.00 62.76 2ouq s PRO 710 Cb -0.13 -1.76 -0.04 0.00 0.04 0.00 0.00 34.50 32.61 2ouq s PRO 710 CO 0.27 -2.44 1.20 0.96 0.04 0.00 0.00 177.00 177.02 2ouq s ILE 711 N -2.72 2.69 0.25 0.56 -4.36 -1.26 -4.74 121.20 111.62 2ouq s ILE 711 Ca 0.65 0.43 0.00 0.00 -0.26 0.00 0.00 60.65 61.47 2ouq s ILE 711 Cb -0.21 -3.16 0.35 0.00 1.25 0.00 0.00 42.46 40.69 2ouq s ILE 711 CO 0.58 -0.10 1.29 -2.65 0.24 0.00 0.00 174.94 174.30 2ouq n PRO 712 N -1.60 -0.07 0.20 0.37 -0.02 -1.26 -1.25 135.00 131.37 2ouq n PRO 712 Ca 0.13 1.24 0.14 0.00 -2.02 0.00 0.00 63.50 62.99 2ouq n PRO 712 Cb 0.50 -1.95 0.66 0.00 -0.02 0.00 0.00 33.50 32.69 2ouq n PRO 712 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ouq h MET 713 N 0.00 0.00 -0.15 -0.52 -0.00 -1.93 -1.82 114.93 110.51 2ouq h MET 713 Ca 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 60.18 2ouq h MET 713 Cb 0.96 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.56 2ouq h MET 713 CO -0.78 0.00 0.00 -1.33 -0.00 0.00 0.00 176.91 174.80 2ouq n MET 714 N -2.52 1.55 -3.14 -0.10 2.81 -0.38 -4.67 117.12 110.67 2ouq n MET 714 Ca 0.00 -1.61 -0.42 0.00 -1.81 0.00 0.00 57.70 53.87 2ouq n MET 714 Cb 0.17 -1.29 -0.07 0.00 -0.71 0.00 0.00 33.22 31.32 2ouq n MET 714 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2ouq s ASP 715 N -1.11 6.39 0.58 7.83 -1.08 -0.69 -3.70 116.67 124.90 2ouq s ASP 715 Ca 0.20 0.06 0.28 0.00 -0.52 0.00 0.00 52.55 52.58 2ouq s ASP 715 Cb 0.13 -2.31 1.56 0.00 -1.46 0.00 0.00 42.92 40.83 2ouq s ASP 715 CO 0.18 -0.58 2.02 -0.09 0.52 0.00 0.00 175.17 177.21 2ouq h ARG 716 N 8.49 0.00 0.00 4.34 2.43 -1.86 -0.94 114.38 126.84 2ouq h ARG 716 Ca -0.27 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.90 2ouq h ARG 716 Cb 1.11 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 2ouq h ARG 716 CO 0.83 0.00 -0.06 -0.25 -1.51 0.00 0.00 179.97 178.98 2ouq n ASP 717 N -3.85 0.66 -4.39 -3.80 8.00 -1.26 -4.50 116.55 107.42 2ouq n ASP 717 Ca 0.05 0.51 -0.45 0.00 0.71 0.00 0.00 54.79 55.61 2ouq n ASP 717 Cb 0.48 -0.65 -0.01 0.00 -0.02 0.00 0.00 41.12 40.92 2ouq n ASP 717 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2ouq s LYS 718 N -3.09 4.03 0.00 -1.24 -0.14 -0.36 -4.82 119.74 114.12 2ouq s LYS 718 Ca 0.11 -2.77 0.19 0.00 -1.36 0.00 0.00 55.97 52.14 2ouq s LYS 718 Cb 0.14 -4.74 0.26 0.00 -1.68 0.00 0.00 37.83 31.81 2ouq s LYS 718 CO 0.60 -1.47 1.20 1.63 -0.76 0.00 0.00 175.35 176.55 2ouq n LYS 719 N 4.21 1.97 0.28 1.68 5.02 -1.26 -4.58 118.16 125.48 2ouq n LYS 719 Ca 0.27 -1.87 0.13 0.00 -2.02 0.00 0.00 58.31 54.82 2ouq n LYS 719 Cb 0.42 -1.39 0.83 0.00 -0.02 0.00 0.00 35.03 34.87 2ouq n LYS 719 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2ouq h ASP 720 N 3.61 0.00 -0.42 4.39 3.32 -1.98 -2.42 116.42 122.92 2ouq h ASP 720 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2ouq h ASP 720 Cb 0.82 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.37 2ouq h ASP 720 CO 0.00 0.04 0.00 -0.62 -1.72 0.00 0.00 179.24 176.94 2ouq n GLU 721 N -3.89 2.49 -0.35 3.56 4.71 -1.26 -4.51 120.64 121.39 2ouq n GLU 721 Ca -0.03 -2.26 0.09 0.00 -0.01 0.00 0.00 57.16 54.95 2ouq n GLU 721 Cb 0.12 -1.51 0.26 0.00 -1.01 0.00 0.00 31.44 29.30 2ouq n GLU 721 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 2ouq h VAL 722 N 4.33 0.84 -0.83 2.62 2.07 -1.74 -0.02 116.25 123.52 2ouq h VAL 722 Ca 0.00 -0.30 -0.04 0.00 0.82 0.00 0.00 66.70 67.18 2ouq h VAL 722 Cb 0.96 -0.13 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 2ouq h VAL 722 CO 0.00 0.16 0.37 -0.65 0.02 0.00 0.00 177.57 177.47 2ouq h PRO 723 N 0.89 1.21 -0.41 1.57 0.11 -1.82 -1.12 132.00 132.43 2ouq h PRO 723 Ca 0.51 -0.20 -0.09 0.00 0.11 0.00 0.00 66.00 66.33 2ouq h PRO 723 Cb 0.62 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.50 2ouq h PRO 723 CO -0.31 0.95 -0.13 1.96 -0.21 0.00 0.00 178.00 180.27 2ouq h GLN 724 N 1.19 0.73 -0.70 1.05 4.20 -1.47 -2.05 115.11 118.06 2ouq h GLN 724 Ca 0.28 -0.25 -0.02 0.00 0.06 0.00 0.00 58.65 58.72 2ouq h GLN 724 Cb 0.16 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.85 2ouq h GLN 724 CO -0.03 0.83 0.36 0.78 -0.67 0.00 0.00 178.83 180.10 2ouq h GLY 725 N 0.97 1.07 0.99 3.46 0.00 -0.47 -1.21 103.07 107.89 2ouq h GLY 725 Ca 0.11 -0.51 -0.00 0.00 0.00 0.00 0.00 47.33 46.93 2ouq h GLY 725 CO 0.04 0.49 -0.03 1.46 0.00 0.00 0.00 176.54 178.50 2ouq h GLN 726 N 0.98 -0.08 -0.88 4.80 1.08 -0.80 0.16 115.11 120.38 2ouq h GLN 726 Ca 0.24 0.01 0.06 0.00 -1.45 0.00 0.00 58.65 57.51 2ouq h GLN 726 Cb 0.08 0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 27.47 2ouq h GLN 726 CO -0.04 -0.05 0.55 1.25 -0.95 0.00 0.00 178.83 179.60 2ouq h LEU 727 N -0.08 0.89 -0.47 1.46 5.85 -1.14 0.11 115.31 121.92 2ouq h LEU 727 Ca -0.01 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 2ouq h LEU 727 Cb 0.06 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 2ouq h LEU 727 CO 0.01 0.58 0.15 1.23 -0.34 0.00 0.00 178.44 180.07 2ouq h GLY 728 N 1.03 0.78 0.94 3.75 0.00 -0.78 -2.24 103.07 106.55 2ouq h GLY 728 Ca 0.38 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 2ouq h GLY 728 CO -0.16 0.43 0.14 -2.75 0.00 0.00 0.00 176.54 174.20 2ouq h PHE 729 N 0.63 0.38 -0.10 5.60 3.57 0.36 -1.40 116.94 125.97 2ouq h PHE 729 Ca 0.15 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.66 2ouq h PHE 729 Cb 0.26 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 2ouq h PHE 729 CO 0.01 0.34 -0.01 1.88 -2.23 0.00 0.00 178.31 178.30 2ouq h TYR 730 N 0.31 -0.03 -0.42 0.41 -1.99 -0.71 0.30 116.97 114.83 2ouq h TYR 730 Ca 0.09 0.01 -0.09 0.00 2.00 0.00 0.00 58.73 60.74 2ouq h TYR 730 Cb 0.09 0.03 -0.02 0.00 2.00 0.00 0.00 36.73 38.84 2ouq h TYR 730 CO -0.03 -0.03 -0.11 -0.91 -0.00 0.00 0.00 178.16 177.08 2ouq h ASN 731 N 0.02 0.74 0.65 3.88 2.35 -1.30 0.19 115.58 122.10 2ouq h ASN 731 Ca 0.05 -0.22 -0.27 0.00 -0.55 0.00 0.00 56.30 55.31 2ouq h ASN 731 Cb 0.07 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.21 2ouq h ASN 731 CO -0.09 0.88 -1.42 0.00 -1.65 0.00 0.00 177.43 175.15 2ouq h ALA 732 N 1.19 0.48 0.00 -0.83 0.00 -1.11 -3.42 119.26 115.57 2ouq h ALA 732 Ca 0.12 -1.17 0.00 0.00 0.00 0.00 0.00 54.91 53.85 2ouq h ALA 732 Cb 0.58 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2ouq h ALA 732 CO 0.04 1.34 -0.05 0.28 0.00 0.00 0.00 179.25 180.86 2ouq n VAL 733 N -3.28 0.84 0.17 0.00 0.31 0.10 -4.79 118.33 111.69 2ouq n VAL 733 Ca -0.11 0.27 -0.14 0.00 -0.01 0.00 0.00 64.34 64.35 2ouq n VAL 733 Cb 1.01 -1.44 -0.07 0.00 -0.91 0.00 0.00 33.84 32.43 2ouq n VAL 733 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ouq h ALA 734 N -0.09 -0.55 -0.25 3.52 0.00 -1.27 -2.46 119.26 118.15 2ouq h ALA 734 Ca 0.00 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.86 2ouq h ALA 734 Cb 0.05 0.41 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 2ouq h ALA 734 CO 0.00 -0.85 0.07 0.82 0.00 0.00 0.00 179.25 179.30 2ouq h ILE 735 N -0.56 0.92 -0.96 0.00 1.08 -0.90 -1.83 117.51 115.25 2ouq h ILE 735 Ca -0.00 -0.06 0.01 0.00 -0.39 0.00 0.00 64.86 64.42 2ouq h ILE 735 Cb 0.53 0.72 -0.05 0.00 -3.07 0.00 0.00 36.82 34.95 2ouq h ILE 735 CO -0.08 0.03 0.64 -0.65 -0.69 0.00 0.00 178.15 177.40 2ouq h PRO 736 N 0.18 1.26 0.55 2.37 0.11 -1.77 0.19 132.00 134.88 2ouq h PRO 736 Ca 0.11 -0.08 -0.02 0.00 0.11 0.00 0.00 66.00 66.13 2ouq h PRO 736 Cb 0.09 -0.28 -0.01 0.00 0.11 0.00 0.00 31.00 30.91 2ouq h PRO 736 CO -0.13 0.83 -0.36 0.00 -0.21 0.00 0.00 178.00 178.14 2ouq h TYR 738 N -0.86 0.00 -0.02 0.00 -1.99 -1.18 -1.25 116.97 111.67 2ouq h TYR 738 Ca -0.06 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.64 2ouq h TYR 738 Cb 0.71 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.44 2ouq h TYR 738 CO -0.11 0.00 -0.10 1.15 -0.00 0.00 0.00 178.16 179.10 2ouq h THR 739 N 0.00 1.51 -0.55 -2.88 2.02 -0.77 -1.29 112.91 110.95 2ouq h THR 739 Ca 0.00 -1.63 -0.10 0.00 0.77 0.00 0.00 66.41 65.45 2ouq h THR 739 Cb 0.59 2.54 -0.02 0.00 -1.74 0.00 0.00 68.15 69.53 2ouq h THR 739 CO 0.00 0.44 -0.07 0.74 0.37 0.00 0.00 175.52 177.00 2ouq h THR 740 N -0.53 1.26 -0.50 3.16 2.02 -1.21 -1.78 112.91 115.33 2ouq h THR 740 Ca -0.01 -1.20 0.00 0.00 0.77 0.00 0.00 66.41 65.97 2ouq h THR 740 Cb 0.76 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 68.06 2ouq h THR 740 CO 0.02 0.43 0.33 0.25 0.37 0.00 0.00 175.52 176.92 2ouq h LEU 741 N 0.89 0.58 -1.30 2.58 5.85 -1.26 -1.55 115.31 121.10 2ouq h LEU 741 Ca 0.15 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.80 2ouq h LEU 741 Cb 0.61 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 2ouq h LEU 741 CO 0.04 0.42 -0.04 0.74 -0.34 0.00 0.00 178.44 179.26 2ouq h THR 742 N 0.68 1.19 -0.47 1.05 2.02 -0.97 0.41 112.91 116.81 2ouq h THR 742 Ca 0.18 -0.76 -0.08 0.00 0.77 0.00 0.00 66.41 66.52 2ouq h THR 742 Cb -0.07 1.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 2ouq h THR 742 CO -0.04 0.25 -0.03 1.56 0.37 0.00 0.00 175.52 177.63 2ouq h GLN 743 N 0.41 0.85 0.13 6.66 4.20 -0.61 -1.96 115.11 124.78 2ouq h GLN 743 Ca 0.09 -0.29 -0.27 0.00 0.06 0.00 0.00 58.65 58.24 2ouq h GLN 743 Cb 0.33 -0.07 0.01 0.00 0.30 0.00 0.00 27.48 28.05 2ouq h GLN 743 CO 0.01 0.91 -1.23 0.82 -0.67 0.00 0.00 178.83 178.67 2ouq h ILE 744 N 0.70 1.49 -2.70 2.54 2.04 -0.88 -3.40 117.51 117.30 2ouq h ILE 744 Ca 0.13 -3.03 -0.60 0.00 1.00 0.00 0.00 64.86 62.35 2ouq h ILE 744 Cb 0.55 2.93 -0.40 0.00 -0.74 0.00 0.00 36.82 39.16 2ouq h ILE 744 CO 0.03 0.89 -0.80 -0.76 0.00 0.00 0.00 178.15 177.51 2ouq s LEU 745 N -7.18 2.81 0.40 1.44 1.43 0.14 -5.01 118.68 112.70 2ouq s LEU 745 Ca -0.04 -3.31 0.23 0.00 -1.03 0.00 0.00 54.13 49.98 2ouq s LEU 745 Cb 0.07 -0.94 1.27 0.00 0.03 0.00 0.00 46.19 46.61 2ouq s LEU 745 CO 0.88 -0.15 1.65 -0.65 0.23 0.00 0.00 176.35 178.32 2ouq h PRO 746 N 5.68 0.19 0.00 1.29 0.11 -1.57 -0.18 132.00 137.52 2ouq h PRO 746 Ca 0.19 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.29 2ouq h PRO 746 Cb 0.85 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.92 2ouq h PRO 746 CO 0.51 0.13 0.00 -2.30 -0.21 0.00 0.00 178.00 176.13 2ouq n PRO 747 N -4.85 0.15 -0.12 1.05 -0.02 -1.26 -1.63 135.00 128.32 2ouq n PRO 747 Ca 0.34 0.59 0.04 0.00 -2.02 0.00 0.00 63.50 62.45 2ouq n PRO 747 Cb 1.20 -1.93 0.13 0.00 -0.02 0.00 0.00 33.50 32.87 2ouq n PRO 747 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2ouq n THR 748 N -2.24 0.33 -0.32 3.45 -2.24 -0.08 -4.34 114.28 108.84 2ouq n THR 748 Ca -0.01 -0.33 0.16 0.00 -2.27 0.00 0.00 64.05 61.60 2ouq n THR 748 Cb 0.07 0.17 0.40 0.00 -2.10 0.00 0.00 70.33 68.87 2ouq n THR 748 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2ouq h GLU 749 N 1.47 0.60 -0.83 -0.78 4.81 -1.50 -1.43 114.58 116.92 2ouq h GLU 749 Ca 0.00 -0.04 0.21 0.00 -0.13 0.00 0.00 59.36 59.41 2ouq h GLU 749 Cb 0.34 -0.14 -0.05 0.00 0.63 0.00 0.00 28.75 29.53 2ouq h GLU 749 CO 0.00 0.40 0.58 -1.35 -0.73 0.00 0.00 179.01 177.90 2ouq h PRO 750 N 0.62 0.18 -0.17 0.92 0.11 -1.86 -0.22 132.00 131.57 2ouq h PRO 750 Ca 0.56 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.63 2ouq h PRO 750 Cb 1.07 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 2ouq h PRO 750 CO -0.32 0.12 0.02 -0.07 -0.21 0.00 0.00 178.00 177.53 2ouq h LEU 751 N 0.18 0.28 -0.39 2.35 3.38 -1.61 -0.93 115.31 118.57 2ouq h LEU 751 Ca 0.41 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 2ouq h LEU 751 Cb 1.34 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 42.00 2ouq h LEU 751 CO -0.08 0.49 0.16 0.25 0.09 0.00 0.00 178.44 179.35 2ouq h LEU 752 N 0.06 0.54 -0.42 1.67 5.85 -1.20 -0.27 115.31 121.54 2ouq h LEU 752 Ca 0.05 -0.17 0.05 0.00 0.84 0.00 0.00 57.88 58.65 2ouq h LEU 752 Cb 0.33 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 2ouq h LEU 752 CO 0.01 0.56 0.16 0.50 -0.34 0.00 0.00 178.44 179.33 2ouq h LYS 753 N 0.49 0.33 -0.48 1.25 3.64 -1.07 -0.63 116.57 120.09 2ouq h LYS 753 Ca 0.13 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.42 2ouq h LYS 753 Cb 0.19 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 2ouq h LYS 753 CO -0.01 0.22 0.01 0.00 -2.27 0.00 0.00 179.45 177.39 2ouq h ALA 754 N 1.26 1.11 -0.41 5.00 0.00 -0.98 -1.33 119.26 123.90 2ouq h ALA 754 Ca 0.19 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2ouq h ALA 754 Cb 0.16 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2ouq h ALA 754 CO -0.18 0.57 0.17 0.00 0.00 0.00 0.00 179.25 179.81 2ouq h ARG 756 N 0.52 1.02 -0.45 0.00 3.08 -0.91 -0.60 114.38 117.05 2ouq h ARG 756 Ca 0.14 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 59.95 2ouq h ARG 756 Cb 0.18 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 2ouq h ARG 756 CO -0.01 0.91 0.28 -0.44 -1.07 0.00 0.00 179.97 179.65 2ouq h ASP 757 N 0.97 0.54 0.30 7.04 3.32 -0.96 -0.72 116.42 126.91 2ouq h ASP 757 Ca 0.20 -0.04 -0.11 0.00 0.02 0.00 0.00 57.03 57.10 2ouq h ASP 757 Cb 0.36 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 2ouq h ASP 757 CO 0.00 0.42 -0.44 0.78 -1.72 0.00 0.00 179.24 178.28 2ouq h ASN 758 N 0.61 0.19 -0.33 6.45 2.35 -1.12 -2.18 115.58 121.55 2ouq h ASN 758 Ca 0.16 -0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 2ouq h ASN 758 Cb -0.03 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.27 2ouq h ASN 758 CO -0.03 0.61 0.19 0.25 -1.65 0.00 0.00 177.43 176.79 2ouq h LEU 759 N 0.15 0.41 -1.14 1.61 6.46 -0.57 -1.04 115.31 121.19 2ouq h LEU 759 Ca 0.01 -0.08 0.05 0.00 -0.12 0.00 0.00 57.88 57.75 2ouq h LEU 759 Cb 0.84 -0.10 -0.06 0.00 -0.73 0.00 0.00 40.66 40.61 2ouq h LEU 759 CO 0.07 0.37 0.59 -1.28 -0.62 0.00 0.00 178.44 177.56 2ouq h SER 760 N 0.42 0.94 -0.14 1.25 0.87 -0.82 -1.91 113.55 114.16 2ouq h SER 760 Ca 0.12 -0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.55 2ouq h SER 760 Cb 0.04 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.79 2ouq h SER 760 CO -0.02 0.62 -0.32 1.56 -0.53 0.00 0.00 176.83 178.14 2ouq h GLN 761 N 1.07 0.64 -0.59 2.24 1.08 -0.75 -2.61 115.11 116.19 2ouq h GLN 761 Ca 0.38 -0.29 -0.10 0.00 -1.45 0.00 0.00 58.65 57.19 2ouq h GLN 761 Cb 0.12 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.52 2ouq h GLN 761 CO -0.13 0.87 -0.03 -1.49 -0.95 0.00 0.00 178.83 177.10 2ouq h TRP 762 N 0.54 1.16 -0.72 2.96 4.06 -0.48 -1.96 115.95 121.51 2ouq h TRP 762 Ca 0.06 -0.21 0.02 0.00 2.06 0.00 0.00 58.89 60.82 2ouq h TRP 762 Cb 0.81 -0.30 -0.04 0.00 -1.00 0.00 0.00 29.16 28.63 2ouq h TRP 762 CO 0.04 1.04 0.46 0.93 -3.56 0.00 0.00 178.44 177.34 2ouq h GLU 763 N 0.96 0.89 -0.86 0.49 5.08 -1.21 -1.17 114.58 118.75 2ouq h GLU 763 Ca 0.16 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 2ouq h GLU 763 Cb 0.60 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.61 2ouq h GLU 763 CO 0.04 0.59 0.46 0.87 -1.00 0.00 0.00 179.01 179.97 2ouq h LYS 764 N 0.91 1.21 -0.32 2.33 1.57 -1.10 0.89 116.57 122.06 2ouq h LYS 764 Ca 0.28 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 58.89 2ouq h LYS 764 Cb -0.03 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.04 2ouq h LYS 764 CO -0.09 0.90 0.13 0.28 -0.57 0.00 0.00 179.45 180.10 2ouq h VAL 765 N 1.21 1.18 -0.85 0.50 2.07 -0.81 0.43 116.25 119.97 2ouq h VAL 765 Ca 0.30 -0.55 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 2ouq h VAL 765 Cb 0.05 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 2ouq h VAL 765 CO -0.05 0.19 0.48 0.40 0.02 0.00 0.00 177.57 178.62 2ouq h ILE 766 N 0.38 1.24 -0.11 4.57 2.04 -0.84 -1.13 117.51 123.66 2ouq h ILE 766 Ca 0.11 -0.58 0.00 0.00 1.00 0.00 0.00 64.86 65.39 2ouq h ILE 766 Cb 0.18 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.33 2ouq h ILE 766 CO -0.01 0.27 0.00 0.54 0.00 0.00 0.00 178.15 178.95 2ouq n ARG 767 N -4.35 1.30 -2.88 2.37 1.74 0.27 -4.92 116.66 110.19 2ouq n ARG 767 Ca 0.09 -0.45 -0.11 0.00 -0.77 0.00 0.00 57.85 56.61 2ouq n ARG 767 Cb 0.08 -1.19 0.05 0.00 -1.02 0.00 0.00 32.46 30.39 2ouq n ARG 767 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2ouq n GLY 768 N 0.79 -0.05 0.00 -0.13 0.00 -0.43 -4.97 105.19 100.41 2ouq n GLY 768 Ca 0.09 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2ouq n GLY 768 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ouq n GLU 769 N -2.93 3.79 0.00 1.61 1.02 0.14 -5.00 120.64 119.27 2ouq n GLU 769 Ca -0.17 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.97 2ouq n GLU 769 Cb 0.60 -0.49 0.00 0.00 -0.02 0.00 0.00 31.44 31.54 2ouq n GLU 769 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46