#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ouy s HIS 447 N 0.00 3.32 -0.15 0.66 5.65 -1.26 -5.02 115.29 118.48 2ouy s HIS 447 Ca 0.00 1.32 -0.08 0.00 0.25 0.00 0.00 55.06 56.55 2ouy s HIS 447 Cb 0.00 -3.37 -0.04 0.00 -1.18 0.00 0.00 32.58 27.99 2ouy s HIS 447 CO 0.00 -1.08 0.11 -1.64 -0.65 0.00 0.00 174.74 171.48 2ouy s MET 448 N 1.82 3.73 0.55 2.88 1.00 -1.26 -5.09 119.30 122.93 2ouy s MET 448 Ca 0.55 -0.22 -0.17 0.00 0.00 0.00 0.00 55.69 55.86 2ouy s MET 448 Cb -0.25 -3.23 -0.06 0.00 0.00 0.00 0.00 34.83 31.29 2ouy s MET 448 CO 0.24 0.53 1.03 -1.12 0.00 0.00 0.00 175.02 175.70 2ouy s SER 449 N -0.33 6.14 0.21 3.03 0.01 -1.26 -5.07 113.70 116.43 2ouy s SER 449 Ca 0.11 1.75 0.07 0.00 1.31 0.00 0.00 55.95 59.18 2ouy s SER 449 Cb -0.12 -2.53 -0.05 0.00 0.21 0.00 0.00 66.02 63.54 2ouy s SER 449 CO 0.01 -0.92 -0.12 0.27 0.41 0.00 0.00 173.24 172.89 2ouy s ILE 450 N -2.45 1.62 0.63 1.44 -4.36 -1.26 -4.79 121.20 112.03 2ouy s ILE 450 Ca 0.62 -2.17 -0.08 0.00 -0.26 0.00 0.00 60.65 58.76 2ouy s ILE 450 Cb -0.14 -2.12 0.01 0.00 1.25 0.00 0.00 42.46 41.46 2ouy s ILE 450 CO 0.33 -0.54 0.97 0.00 0.24 0.00 0.00 174.94 175.94 2ouy s THR 452 N -3.12 3.97 0.16 0.00 -4.23 -1.26 -4.98 115.64 106.18 2ouy s THR 452 Ca 0.55 -0.39 -0.16 0.00 -1.18 0.00 0.00 61.69 60.51 2ouy s THR 452 Cb -0.11 -3.49 0.05 0.00 1.34 0.00 0.00 72.50 70.30 2ouy s THR 452 CO 0.48 -0.37 1.71 0.28 -0.54 0.00 0.00 174.62 176.17 2ouy h SER 453 N 0.30 -0.11 -0.97 3.99 0.02 -2.01 -1.83 113.55 112.95 2ouy h SER 453 Ca -0.46 0.08 0.20 0.00 -0.84 0.00 0.00 61.79 60.77 2ouy h SER 453 Cb 1.25 0.13 -0.11 0.00 0.14 0.00 0.00 62.40 63.81 2ouy h SER 453 CO 0.58 -0.02 0.55 -0.08 -1.14 0.00 0.00 176.83 176.72 2ouy h GLU 454 N 0.12 0.63 0.66 3.45 4.81 -1.98 -0.68 114.58 121.59 2ouy h GLU 454 Ca 0.18 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.34 2ouy h GLU 454 Cb 0.24 -0.14 0.01 0.00 0.63 0.00 0.00 28.75 29.48 2ouy h GLU 454 CO -0.28 0.41 -0.32 0.93 -0.73 0.00 0.00 179.01 179.03 2ouy h GLU 455 N 0.65 -0.86 0.00 1.92 5.08 -1.71 -1.57 114.58 118.08 2ouy h GLU 455 Ca 0.58 0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.90 2ouy h GLU 455 Cb 0.97 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 2ouy h GLU 455 CO -0.42 -0.54 -0.47 0.11 -1.00 0.00 0.00 179.01 176.69 2ouy h TRP 456 N -1.05 0.00 -0.60 4.33 5.08 -1.39 -2.51 115.95 119.81 2ouy h TRP 456 Ca -0.09 0.00 -0.07 0.00 1.08 0.00 0.00 58.89 59.81 2ouy h TRP 456 Cb 0.72 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.86 2ouy h TRP 456 CO -0.01 0.47 0.09 1.96 -1.28 0.00 0.00 178.44 179.67 2ouy h GLN 457 N 0.00 1.00 -0.64 0.12 4.20 -1.14 -1.23 115.11 117.43 2ouy h GLN 457 Ca -0.00 -0.27 -0.02 0.00 0.06 0.00 0.00 58.65 58.42 2ouy h GLN 457 Cb 0.85 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.49 2ouy h GLN 457 CO 0.06 0.94 0.33 0.78 -0.67 0.00 0.00 178.83 180.28 2ouy h GLY 458 N 0.90 0.96 1.20 3.46 0.00 -1.02 -2.61 103.07 105.97 2ouy h GLY 458 Ca 0.18 -0.45 -0.04 0.00 0.00 0.00 0.00 47.33 47.02 2ouy h GLY 458 CO 0.01 0.43 0.27 -2.00 0.00 0.00 0.00 176.54 175.26 2ouy h LEU 459 N 0.87 0.94 -1.86 3.11 5.85 -1.15 -2.46 115.31 120.60 2ouy h LEU 459 Ca 0.22 -0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.83 2ouy h LEU 459 Cb 0.07 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 2ouy h LEU 459 CO -0.03 0.84 0.13 0.24 -0.34 0.00 0.00 178.44 179.28 2ouy h MET 460 N 1.00 0.18 -0.00 1.25 2.86 -0.85 -1.88 114.93 117.48 2ouy h MET 460 Ca 0.23 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.86 2ouy h MET 460 Cb 0.20 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.82 2ouy h MET 460 CO -0.02 0.12 -0.15 1.04 1.06 0.00 0.00 176.91 178.96 2ouy n GLN 461 N -4.50 0.74 -2.50 1.72 6.02 -0.93 -4.91 117.38 113.01 2ouy n GLN 461 Ca 0.01 -0.31 -0.40 0.00 -0.01 0.00 0.00 57.00 56.28 2ouy n GLN 461 Cb 0.14 -1.49 -0.04 0.00 1.02 0.00 0.00 30.24 29.86 2ouy n GLN 461 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 2ouy s PHE 462 N -2.48 3.61 -0.05 1.08 5.36 -0.71 -5.05 117.98 119.74 2ouy s PHE 462 Ca 0.28 1.70 0.00 0.00 -0.96 0.00 0.00 56.93 57.95 2ouy s PHE 462 Cb 0.20 -3.26 0.02 0.00 -0.34 0.00 0.00 43.02 39.64 2ouy s PHE 462 CO 0.49 -0.49 -0.02 0.99 -1.46 0.00 0.00 175.22 174.72 2ouy s THR 463 N -1.05 0.41 0.29 0.12 2.01 -1.26 -5.05 115.64 111.10 2ouy s THR 463 Ca 0.45 -0.01 -0.30 0.00 0.31 0.00 0.00 61.69 62.14 2ouy s THR 463 Cb -0.31 -0.49 -0.11 0.00 0.01 0.00 0.00 72.50 71.60 2ouy s THR 463 CO 0.40 0.22 1.55 -0.22 -0.69 0.00 0.00 174.62 175.87 2ouy s LEU 464 N 1.21 4.35 0.14 4.42 2.96 -1.26 -4.92 118.68 125.59 2ouy s LEU 464 Ca -0.07 2.88 -0.31 0.00 -0.22 0.00 0.00 54.13 56.41 2ouy s LEU 464 Cb -0.14 -3.63 -0.10 0.00 0.50 0.00 0.00 46.19 42.82 2ouy s LEU 464 CO -0.02 -0.86 1.61 -2.84 -1.32 0.00 0.00 176.35 172.92 2ouy s PRO 465 N -0.53 4.20 0.38 0.98 0.02 -1.26 -4.87 135.00 133.91 2ouy s PRO 465 Ca 0.62 2.38 0.17 0.00 0.02 0.00 0.00 61.00 64.19 2ouy s PRO 465 Cb -0.46 -3.27 1.07 0.00 0.02 0.00 0.00 34.50 31.85 2ouy s PRO 465 CO 0.47 -0.66 1.75 -0.24 -0.33 0.00 0.00 177.00 178.00 2ouy h VAL 466 N 4.22 0.51 0.00 3.83 3.04 -2.03 0.66 116.25 126.47 2ouy h VAL 466 Ca -0.43 -0.15 0.00 0.00 -1.01 0.00 0.00 66.70 65.12 2ouy h VAL 466 Cb 1.20 0.05 0.00 0.00 -2.01 0.00 0.00 31.29 30.53 2ouy h VAL 466 CO 0.92 0.08 0.13 0.08 -1.01 0.00 0.00 177.57 177.77 2ouy h ARG 467 N 0.42 0.00 -0.01 4.17 0.11 -2.03 -1.24 114.38 115.80 2ouy h ARG 467 Ca 0.62 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.70 2ouy h ARG 467 Cb 1.49 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.57 2ouy h ARG 467 CO -0.35 0.00 -0.59 1.28 0.10 0.00 0.00 179.97 180.42 2ouy n LEU 468 N -2.91 1.19 0.27 0.08 4.77 0.22 -4.38 117.00 116.24 2ouy n LEU 468 Ca -0.02 -0.42 0.11 0.00 -0.03 0.00 0.00 56.01 55.65 2ouy n LEU 468 Cb 0.19 -0.08 0.73 0.00 -2.33 0.00 0.00 43.42 41.93 2ouy n LEU 468 CO 0.16 0.25 1.03 0.00 -1.33 0.00 0.00 177.39 177.50 2ouy h LYS 470 N 0.00 -0.01 -1.01 0.00 2.10 -1.77 -3.37 116.57 112.52 2ouy h LYS 470 Ca -0.00 0.00 0.08 0.00 -2.00 0.00 0.00 60.65 58.73 2ouy h LYS 470 Cb 0.14 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 31.40 2ouy h LYS 470 CO 0.01 0.14 0.65 0.93 -2.00 0.00 0.00 179.45 179.17 2ouy h GLU 471 N -1.00 1.09 0.00 0.07 5.08 -1.79 -2.04 114.58 115.99 2ouy h GLU 471 Ca -0.00 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2ouy h GLU 471 Cb 0.15 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.16 2ouy h GLU 471 CO 0.00 0.72 -0.00 0.97 -1.00 0.00 0.00 179.01 179.70 2ouy h ILE 472 N 1.12 0.01 0.00 3.13 2.10 -1.45 -1.95 117.51 120.48 2ouy h ILE 472 Ca 0.46 -0.22 -0.01 0.00 1.08 0.00 0.00 64.86 66.16 2ouy h ILE 472 Cb 0.27 1.22 -0.00 0.00 -1.09 0.00 0.00 36.82 37.22 2ouy h ILE 472 CO -0.20 0.00 -0.05 -0.33 -1.08 0.00 0.00 178.15 176.49 2ouy h GLU 473 N 0.00 0.00 -6.87 2.19 4.39 -1.52 -3.46 114.58 109.31 2ouy h GLU 473 Ca -0.00 0.00 -0.49 0.00 0.34 0.00 0.00 59.36 59.21 2ouy h GLU 473 Cb 0.22 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 2ouy h GLU 473 CO 0.00 0.05 0.40 -0.51 -1.16 0.00 0.00 179.01 177.79 2ouy s LEU 474 N -6.24 4.37 0.30 1.33 1.43 -0.73 -4.85 118.68 114.29 2ouy s LEU 474 Ca 0.06 2.03 -0.02 0.00 -1.03 0.00 0.00 54.13 55.18 2ouy s LEU 474 Cb 0.05 -3.92 0.45 0.00 0.03 0.00 0.00 46.19 42.81 2ouy s LEU 474 CO 0.67 -0.20 1.95 -0.26 0.23 0.00 0.00 176.35 178.74 2ouy h PHE 475 N 3.24 1.06 -0.01 0.29 -1.00 -1.88 -2.51 116.94 116.12 2ouy h PHE 475 Ca -0.47 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.34 2ouy h PHE 475 Cb 1.21 -0.35 0.00 0.00 3.61 0.00 0.00 35.95 40.41 2ouy h PHE 475 CO 0.59 0.64 0.00 -2.39 -1.61 0.00 0.00 178.31 175.54 2ouy n HIS 476 N -4.43 0.01 -1.65 -0.55 1.44 -1.26 -4.91 115.22 103.87 2ouy n HIS 476 Ca 0.11 -0.01 -0.44 0.00 -2.01 0.00 0.00 57.72 55.37 2ouy n HIS 476 Cb 0.07 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.16 2ouy n HIS 476 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 2ouy n PHE 477 N -0.61 1.94 -4.03 -1.40 7.35 -0.95 -4.40 117.46 115.36 2ouy n PHE 477 Ca 0.08 0.55 -0.35 0.00 -0.76 0.00 0.00 57.45 56.97 2ouy n PHE 477 Cb 0.05 -2.39 -0.14 0.00 0.35 0.00 0.00 39.48 37.35 2ouy n PHE 477 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2ouy s ASP 478 N -0.10 4.47 0.03 -2.13 3.68 -1.26 -4.97 116.67 116.39 2ouy s ASP 478 Ca 0.63 -0.32 0.27 0.00 2.13 0.00 0.00 52.55 55.25 2ouy s ASP 478 Cb -0.65 -1.76 0.81 0.00 -1.45 0.00 0.00 42.92 39.86 2ouy s ASP 478 CO 0.56 0.02 1.64 2.30 0.13 0.00 0.00 175.17 179.82 2ouy n ILE 479 N 4.52 0.09 -0.28 4.11 -5.35 -1.26 -4.54 119.36 116.64 2ouy n ILE 479 Ca -0.18 -0.05 -0.06 0.00 -0.27 0.00 0.00 62.75 62.19 2ouy n ILE 479 Cb 0.51 -0.16 -0.05 0.00 -1.74 0.00 0.00 39.64 38.20 2ouy n ILE 479 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2ouy n GLY 480 N 1.47 -1.68 0.00 3.28 0.00 -1.26 -1.11 105.19 105.88 2ouy n GLY 480 Ca 0.06 0.79 0.06 0.00 0.00 0.00 0.00 46.02 46.94 2ouy n GLY 480 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ouy n PRO 481 N -4.87 0.61 -2.39 1.61 -0.04 -1.26 -3.91 135.00 124.75 2ouy n PRO 481 Ca 0.02 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.31 2ouy n PRO 481 Cb 0.19 -1.33 0.02 0.00 -0.04 0.00 0.00 33.50 32.35 2ouy n PRO 481 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2ouy n PHE 482 N -0.83 2.33 -0.35 0.54 3.01 -0.27 -4.91 117.46 116.99 2ouy n PHE 482 Ca 0.10 -2.45 0.23 0.00 1.01 0.00 0.00 57.45 56.33 2ouy n PHE 482 Cb 0.04 -0.26 0.47 0.00 -0.01 0.00 0.00 39.48 39.72 2ouy n PHE 482 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 2ouy h GLU 483 N 2.46 0.40 0.00 -1.08 4.81 -1.71 0.73 114.58 120.19 2ouy h GLU 483 Ca 0.18 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 2ouy h GLU 483 Cb 1.31 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.60 2ouy h GLU 483 CO 0.60 0.26 0.00 0.09 -0.73 0.00 0.00 179.01 179.24 2ouy n ASN 484 N -4.86 0.25 -0.27 1.04 4.13 -1.26 -2.55 115.26 111.74 2ouy n ASN 484 Ca 0.29 0.57 0.08 0.00 1.68 0.00 0.00 54.58 57.20 2ouy n ASN 484 Cb 0.92 -0.62 -0.03 0.00 -1.54 0.00 0.00 39.78 38.51 2ouy n ASN 484 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 2ouy n MET 485 N -1.78 1.62 -0.15 3.52 2.81 0.25 -4.69 117.12 118.70 2ouy n MET 485 Ca 0.03 -0.58 -0.04 0.00 -1.81 0.00 0.00 57.70 55.30 2ouy n MET 485 Cb 0.18 -1.29 0.03 0.00 -0.71 0.00 0.00 33.22 31.42 2ouy n MET 485 CO 0.00 0.00 0.00 -1.49 1.51 0.00 0.00 175.97 175.99 2ouy h TRP 486 N 1.30 -0.27 -0.36 2.03 6.55 -1.31 0.40 115.95 124.29 2ouy h TRP 486 Ca 0.00 0.04 0.01 0.00 0.95 0.00 0.00 58.89 59.90 2ouy h TRP 486 Cb 0.52 0.19 -0.02 0.00 -0.86 0.00 0.00 29.16 28.99 2ouy h TRP 486 CO 0.00 -0.21 0.22 -1.35 -1.05 0.00 0.00 178.44 176.05 2ouy h PRO 487 N -0.01 0.43 0.00 0.49 0.11 -1.84 -1.96 132.00 129.22 2ouy h PRO 487 Ca 0.23 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.29 2ouy h PRO 487 Cb 0.35 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.36 2ouy h PRO 487 CO -0.49 0.28 -0.12 0.78 -0.21 0.00 0.00 178.00 178.24 2ouy h GLY 488 N 0.44 0.00 1.48 -0.55 0.00 -1.59 -1.86 103.07 101.00 2ouy h GLY 488 Ca 0.14 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.27 2ouy h GLY 488 CO -0.06 0.00 -0.79 -2.22 0.00 0.00 0.00 176.54 173.47 2ouy h ILE 489 N 0.00 1.36 -0.30 2.60 2.04 0.46 -1.24 117.51 122.43 2ouy h ILE 489 Ca -0.00 -2.17 -0.16 0.00 1.00 0.00 0.00 64.86 63.53 2ouy h ILE 489 Cb 0.40 2.15 -0.01 0.00 -0.74 0.00 0.00 36.82 38.63 2ouy h ILE 489 CO 0.02 0.66 -0.46 0.15 0.00 0.00 0.00 178.15 178.51 2ouy h PHE 490 N 0.33 0.96 -0.55 1.37 3.57 -0.75 -1.22 116.94 120.64 2ouy h PHE 490 Ca -0.05 -0.31 -0.03 0.00 3.53 0.00 0.00 57.97 61.12 2ouy h PHE 490 Cb 1.39 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.91 2ouy h PHE 490 CO 0.06 1.10 0.24 0.28 -2.23 0.00 0.00 178.31 177.76 2ouy h VAL 491 N 0.63 1.21 -0.84 1.41 2.07 -1.28 -1.17 116.25 118.27 2ouy h VAL 491 Ca 0.04 -0.64 0.02 0.00 0.82 0.00 0.00 66.70 66.94 2ouy h VAL 491 Cb 1.03 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 31.36 2ouy h VAL 491 CO 0.10 0.25 0.55 0.22 0.02 0.00 0.00 177.57 178.71 2ouy h TYR 492 N 0.75 1.04 -0.19 1.57 3.20 -0.96 -1.16 116.97 121.21 2ouy h TYR 492 Ca 0.19 0.03 -0.16 0.00 3.14 0.00 0.00 58.73 61.92 2ouy h TYR 492 Cb 0.16 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 38.08 2ouy h TYR 492 CO 0.00 0.63 -0.54 0.52 -1.64 0.00 0.00 178.16 177.13 2ouy h MET 493 N 1.10 0.57 -0.50 1.82 2.86 -0.92 -1.88 114.93 117.98 2ouy h MET 493 Ca 0.32 -0.36 -0.12 0.00 -2.06 0.00 0.00 59.70 57.48 2ouy h MET 493 Cb -0.08 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.61 2ouy h MET 493 CO -0.09 0.96 -0.16 0.28 1.06 0.00 0.00 176.91 178.97 2ouy h VAL 494 N 0.44 1.27 -0.47 -2.22 2.07 -0.91 -1.68 116.25 114.75 2ouy h VAL 494 Ca 0.01 -1.32 -0.08 0.00 0.82 0.00 0.00 66.70 66.14 2ouy h VAL 494 Cb 1.09 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.89 2ouy h VAL 494 CO 0.10 0.46 0.00 0.45 0.02 0.00 0.00 177.57 178.60 2ouy h HIS 495 N 0.86 0.91 0.00 1.57 -0.00 -1.13 0.17 115.15 117.53 2ouy h HIS 495 Ca 0.12 -0.16 -0.14 0.00 -0.00 0.00 0.00 60.37 60.19 2ouy h HIS 495 Cb 0.73 -0.24 -0.02 0.00 -0.00 0.00 0.00 27.41 27.88 2ouy h HIS 495 CO 0.05 0.87 -0.68 0.00 -0.00 0.00 0.00 177.93 178.16 2ouy h ARG 496 N 0.69 0.00 0.12 2.45 2.47 -1.31 0.53 114.38 119.34 2ouy h ARG 496 Ca 0.13 0.00 -0.36 0.00 -1.26 0.00 0.00 59.98 58.49 2ouy h ARG 496 Cb 0.50 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.81 2ouy h ARG 496 CO 0.02 0.68 -1.96 1.03 0.56 0.00 0.00 179.97 180.31 2ouy h SER 497 N 0.00 0.41 -0.01 7.04 0.87 -1.25 -3.40 113.55 117.21 2ouy h SER 497 Ca -0.01 -0.90 0.00 0.00 -1.23 0.00 0.00 61.79 59.65 2ouy h SER 497 Cb 1.22 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 63.05 2ouy h SER 497 CO 0.09 1.80 -0.19 0.00 -0.53 0.00 0.00 176.83 178.00 2ouy n GLY 499 N 0.90 -0.47 0.17 0.00 0.00 0.17 -4.13 105.19 101.84 2ouy n GLY 499 Ca 0.05 -1.52 0.14 0.00 0.00 0.00 0.00 46.02 44.69 2ouy n GLY 499 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ouy h THR 500 N 0.00 0.00 0.00 2.61 1.03 -1.86 -2.78 112.91 111.91 2ouy h THR 500 Ca 0.00 -0.41 0.00 0.00 -0.01 0.00 0.00 66.41 65.99 2ouy h THR 500 Cb 0.00 1.27 0.00 0.00 -1.07 0.00 0.00 68.15 68.35 2ouy h THR 500 CO 0.00 0.00 -0.35 -1.20 -0.01 0.00 0.00 175.52 173.96 2ouy n SER 501 N -2.53 0.36 -0.10 0.00 7.64 -1.26 -4.19 113.62 113.54 2ouy n SER 501 Ca 0.02 0.01 -0.06 0.00 1.01 0.00 0.00 58.87 59.85 2ouy n SER 501 Cb 0.31 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.53 2ouy n SER 501 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ouy s PHE 503 N -6.17 1.75 0.02 0.00 0.08 -1.26 -5.03 117.98 107.37 2ouy s PHE 503 Ca -0.13 -0.42 -0.30 0.00 0.12 0.00 0.00 56.93 56.20 2ouy s PHE 503 Cb 0.13 -0.97 -0.07 0.00 -0.57 0.00 0.00 43.02 41.54 2ouy s PHE 503 CO 0.71 0.19 1.53 -1.21 -0.10 0.00 0.00 175.22 176.34 2ouy s GLU 504 N -1.85 4.24 0.20 0.44 2.02 -1.26 -4.89 118.70 117.59 2ouy s GLU 504 Ca 0.06 2.14 -0.16 0.00 0.02 0.00 0.00 54.97 57.03 2ouy s GLU 504 Cb -0.10 -3.62 0.19 0.00 0.10 0.00 0.00 34.13 30.70 2ouy s GLU 504 CO 0.04 -0.67 1.62 1.25 0.02 0.00 0.00 175.26 177.52 2ouy h LEU 505 N 8.62 -0.76 0.16 1.80 5.85 -1.97 -1.13 115.31 127.87 2ouy h LEU 505 Ca -0.40 0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.53 2ouy h LEU 505 Cb 1.19 0.44 -0.02 0.00 0.37 0.00 0.00 40.66 42.63 2ouy h LEU 505 CO 0.92 -0.24 -0.21 -0.08 -0.34 0.00 0.00 178.44 178.48 2ouy h GLU 506 N -0.07 -0.41 -0.85 1.25 4.81 -1.97 -1.77 114.58 115.57 2ouy h GLU 506 Ca 0.27 0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.54 2ouy h GLU 506 Cb 0.49 0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.92 2ouy h GLU 506 CO -0.64 -0.28 0.56 0.87 -0.73 0.00 0.00 179.01 178.80 2ouy h LYS 507 N -0.43 1.11 -0.19 1.92 1.57 -1.73 -1.28 116.57 117.54 2ouy h LYS 507 Ca 0.01 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2ouy h LYS 507 Cb 0.43 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 2ouy h LYS 507 CO -0.09 0.73 0.09 1.25 -0.57 0.00 0.00 179.45 180.86 2ouy h LEU 508 N 1.14 0.26 -1.01 2.94 5.85 -0.91 0.93 115.31 124.52 2ouy h LEU 508 Ca 0.31 -0.14 -0.07 0.00 0.84 0.00 0.00 57.88 58.82 2ouy h LEU 508 Cb -0.12 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 2ouy h LEU 508 CO -0.07 0.33 -0.06 0.00 -0.34 0.00 0.00 178.44 178.30 2ouy h ARG 510 N 0.60 0.19 -0.12 0.00 2.43 -0.99 -1.49 114.38 115.00 2ouy h ARG 510 Ca 0.11 -0.05 0.04 0.00 -0.81 0.00 0.00 59.98 59.27 2ouy h ARG 510 Cb 0.47 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.96 2ouy h ARG 510 CO 0.02 0.37 -0.10 0.35 -1.51 0.00 0.00 179.97 179.10 2ouy h PHE 511 N -0.02 -0.25 -0.08 2.20 3.57 -0.46 -1.25 116.94 120.64 2ouy h PHE 511 Ca 0.04 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.56 2ouy h PHE 511 Cb 0.27 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 2ouy h PHE 511 CO 0.01 -0.16 0.03 0.82 -2.23 0.00 0.00 178.31 176.79 2ouy h ILE 512 N -0.12 0.99 0.00 1.41 2.04 -1.09 -0.62 117.51 120.12 2ouy h ILE 512 Ca 0.08 -0.03 -0.07 0.00 1.00 0.00 0.00 64.86 65.85 2ouy h ILE 512 Cb 0.23 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 2ouy h ILE 512 CO -0.19 0.01 -0.32 0.24 0.00 0.00 0.00 178.15 177.89 2ouy h MET 513 N 0.08 0.00 -0.12 2.37 2.86 -1.15 -2.28 114.93 116.68 2ouy h MET 513 Ca 0.03 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.48 2ouy h MET 513 Cb 0.01 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.68 2ouy h MET 513 CO -0.03 0.32 -0.66 0.77 1.06 0.00 0.00 176.91 178.37 2ouy h SER 514 N 0.00 0.79 -0.68 1.22 0.02 -0.95 -2.86 113.55 111.09 2ouy h SER 514 Ca -0.00 -0.64 0.08 0.00 -0.84 0.00 0.00 61.79 60.38 2ouy h SER 514 Cb 0.61 -0.24 -0.06 0.00 0.14 0.00 0.00 62.40 62.85 2ouy h SER 514 CO 0.04 1.31 0.35 0.58 -1.14 0.00 0.00 176.83 177.97 2ouy h VAL 515 N 0.33 0.89 -0.83 2.27 2.07 -0.85 -1.06 116.25 119.08 2ouy h VAL 515 Ca -0.05 -0.21 0.08 0.00 0.82 0.00 0.00 66.70 67.34 2ouy h VAL 515 Cb 1.31 0.22 -0.07 0.00 -1.52 0.00 0.00 31.29 31.23 2ouy h VAL 515 CO 0.14 0.11 0.49 0.50 0.02 0.00 0.00 177.57 178.83 2ouy h LYS 516 N 0.62 0.82 0.00 1.57 3.64 -1.36 -0.15 116.57 121.71 2ouy h LYS 516 Ca 0.32 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 2ouy h LYS 516 Cb 0.30 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 2ouy h LYS 516 CO -0.24 0.54 0.00 1.63 -2.27 0.00 0.00 179.45 179.12 2ouy n LYS 517 N -4.71 0.26 -0.34 1.90 5.02 -0.42 -2.24 118.16 117.64 2ouy n LYS 517 Ca 0.13 0.12 0.07 0.00 -2.02 0.00 0.00 58.31 56.61 2ouy n LYS 517 Cb 0.24 -1.50 0.22 0.00 -0.02 0.00 0.00 35.03 33.97 2ouy n LYS 517 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2ouy n ASN 518 N -1.26 3.50 -4.69 4.39 3.02 -0.07 -4.78 115.26 115.38 2ouy n ASN 518 Ca 0.08 -2.56 -0.33 0.00 -0.03 0.00 0.00 54.58 51.74 2ouy n ASN 518 Cb 0.12 -0.41 -0.09 0.00 -0.61 0.00 0.00 39.78 38.80 2ouy n ASN 518 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2ouy s TYR 519 N -2.01 3.11 0.16 3.10 1.51 -0.95 -1.33 117.35 120.94 2ouy s TYR 519 Ca 0.34 0.12 0.03 0.00 -1.01 0.00 0.00 57.07 56.56 2ouy s TYR 519 Cb 0.24 -1.71 -0.04 0.00 -0.11 0.00 0.00 41.96 40.35 2ouy s TYR 519 CO 0.12 0.46 0.25 1.03 -1.11 0.00 0.00 175.55 176.30 2ouy s ARG 520 N -1.33 3.30 -1.19 -0.62 0.52 -1.26 -4.95 118.95 113.42 2ouy s ARG 520 Ca 0.17 -0.68 -0.19 0.00 -0.52 0.00 0.00 55.73 54.52 2ouy s ARG 520 Cb -0.11 -2.88 -0.03 0.00 0.52 0.00 0.00 34.95 32.45 2ouy s ARG 520 CO 0.08 0.51 1.94 0.54 0.02 0.00 0.00 175.30 178.39 2ouy n ARG 521 N -0.52 2.34 -4.00 3.54 1.74 -1.26 -4.61 116.66 113.89 2ouy n ARG 521 Ca -0.07 -2.60 -0.28 0.00 -0.77 0.00 0.00 57.85 54.13 2ouy n ARG 521 Cb 0.54 -3.38 -0.04 0.00 -1.02 0.00 0.00 32.46 28.56 2ouy n ARG 521 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2ouy s VAL 522 N 5.86 4.96 0.52 1.55 1.01 -1.26 -5.02 120.40 128.02 2ouy s VAL 522 Ca 0.57 -0.75 0.32 0.00 0.00 0.00 0.00 61.98 62.11 2ouy s VAL 522 Cb 0.08 -3.49 0.35 0.00 0.00 0.00 0.00 36.38 33.31 2ouy s VAL 522 CO 0.06 -0.01 2.20 1.55 0.00 0.00 0.00 175.10 178.90 2ouy h PRO 523 N 2.61 0.00 0.00 2.72 0.13 -1.95 -3.40 132.00 132.10 2ouy h PRO 523 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2ouy h PRO 523 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2ouy h PRO 523 CO 0.68 0.04 -0.16 0.98 -0.23 0.00 0.00 178.00 179.32 2ouy n TYR 524 N -3.61 -0.97 -1.13 1.56 9.36 -1.26 -4.89 117.16 116.22 2ouy n TYR 524 Ca -0.02 0.17 -0.33 0.00 3.32 0.00 0.00 57.90 61.03 2ouy n TYR 524 Cb 0.15 0.35 -0.02 0.00 -0.63 0.00 0.00 39.34 39.18 2ouy n TYR 524 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 2ouy n HIS 525 N -3.16 2.10 -4.03 2.98 -0.00 -1.26 -4.44 115.22 107.40 2ouy n HIS 525 Ca 0.00 -2.64 -0.09 0.00 -0.00 0.00 0.00 57.72 54.99 2ouy n HIS 525 Cb 0.08 -2.18 -0.01 0.00 -0.00 0.00 0.00 29.99 27.87 2ouy n HIS 525 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.34 176.61 2ouy n ASN 526 N 4.11 2.12 -0.25 0.41 0.23 -1.26 -4.66 115.26 115.95 2ouy n ASN 526 Ca 0.64 -1.62 -0.05 0.00 -0.53 0.00 0.00 54.58 53.02 2ouy n ASN 526 Cb 0.21 0.07 0.06 0.00 -2.08 0.00 0.00 39.78 38.03 2ouy n ASN 526 CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 2ouy h TRP 527 N 0.91 0.90 -0.43 -2.53 2.91 -1.88 -1.83 115.95 114.00 2ouy h TRP 527 Ca -0.12 0.02 0.02 0.00 1.13 0.00 0.00 58.89 59.94 2ouy h TRP 527 Cb 0.37 -0.30 -0.03 0.00 -0.51 0.00 0.00 29.16 28.69 2ouy h TRP 527 CO 0.00 0.57 0.24 -0.22 -1.03 0.00 0.00 178.44 178.00 2ouy h LYS 528 N 0.96 0.47 -0.80 2.65 3.64 -1.97 -1.80 116.57 119.72 2ouy h LYS 528 Ca 0.26 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.60 2ouy h LYS 528 Cb -0.10 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.58 2ouy h LYS 528 CO -0.05 0.31 0.46 1.25 -2.27 0.00 0.00 179.45 179.15 2ouy h HIS 529 N 0.48 1.07 -0.42 1.91 2.76 -1.70 -0.74 115.15 118.51 2ouy h HIS 529 Ca 0.17 -0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.36 2ouy h HIS 529 Cb 0.04 -0.35 -0.04 0.00 1.55 0.00 0.00 27.41 28.61 2ouy h HIS 529 CO -0.08 0.73 0.21 0.00 -1.30 0.00 0.00 177.93 177.49 2ouy h ALA 530 N 1.25 0.52 -0.15 5.26 0.00 -0.65 0.94 119.26 126.42 2ouy h ALA 530 Ca 0.28 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.09 2ouy h ALA 530 Cb -0.01 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2ouy h ALA 530 CO -0.05 -0.15 -0.43 0.28 0.00 0.00 0.00 179.25 178.91 2ouy h VAL 531 N 0.42 1.31 -0.37 0.00 2.07 -1.07 -0.93 116.25 117.69 2ouy h VAL 531 Ca 0.18 -1.58 -0.05 0.00 0.82 0.00 0.00 66.70 66.07 2ouy h VAL 531 Cb 0.08 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 2ouy h VAL 531 CO -0.13 0.48 0.05 0.74 0.02 0.00 0.00 177.57 178.74 2ouy h THR 532 N 0.30 1.24 -0.38 2.57 2.02 -0.55 0.04 112.91 118.14 2ouy h THR 532 Ca 0.02 -0.87 -0.04 0.00 0.77 0.00 0.00 66.41 66.29 2ouy h THR 532 Cb 0.88 1.09 -0.02 0.00 -1.74 0.00 0.00 68.15 68.36 2ouy h THR 532 CO 0.07 0.29 0.07 0.58 0.37 0.00 0.00 175.52 176.91 2ouy h VAL 533 N 0.46 1.24 -0.72 3.16 2.07 -0.68 -2.44 116.25 119.32 2ouy h VAL 533 Ca 0.11 -0.83 0.05 0.00 0.82 0.00 0.00 66.70 66.85 2ouy h VAL 533 Cb 0.38 1.05 -0.05 0.00 -1.52 0.00 0.00 31.29 31.14 2ouy h VAL 533 CO 0.01 0.28 0.44 0.00 0.02 0.00 0.00 177.57 178.32 2ouy h ALA 534 N 0.92 0.97 -0.60 1.67 0.00 -0.95 -1.82 119.26 119.45 2ouy h ALA 534 Ca 0.12 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 2ouy h ALA 534 Cb 0.35 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2ouy h ALA 534 CO 0.01 0.18 0.11 1.25 0.00 0.00 0.00 179.25 180.79 2ouy h HIS 535 N 0.83 1.02 -0.66 0.00 6.17 -0.79 -0.86 115.15 120.85 2ouy h HIS 535 Ca 0.31 -0.12 -0.07 0.00 0.71 0.00 0.00 60.37 61.19 2ouy h HIS 535 Cb 0.10 -0.29 -0.03 0.00 2.52 0.00 0.00 27.41 29.72 2ouy h HIS 535 CO -0.05 0.86 0.12 0.00 0.71 0.00 0.00 177.93 179.57 2ouy h MET 537 N 1.01 1.12 -0.15 0.00 -1.53 -0.96 -1.06 114.93 113.35 2ouy h MET 537 Ca 0.20 -0.18 0.02 0.00 -3.44 0.00 0.00 59.70 56.30 2ouy h MET 537 Cb 0.41 -0.19 -0.02 0.00 -0.55 0.00 0.00 31.60 31.25 2ouy h MET 537 CO 0.01 0.88 0.04 -0.92 0.14 0.00 0.00 176.91 177.06 2ouy h TYR 538 N 1.09 0.07 -0.74 1.39 3.20 -0.57 0.14 116.97 121.54 2ouy h TYR 538 Ca 0.26 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.16 2ouy h TYR 538 Cb 0.15 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.37 2ouy h TYR 538 CO 0.01 0.03 0.48 0.00 -1.64 0.00 0.00 178.16 177.04 2ouy h ALA 539 N 1.10 0.96 -0.24 1.82 0.00 -0.84 0.13 119.26 122.19 2ouy h ALA 539 Ca 0.07 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2ouy h ALA 539 Cb 0.05 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2ouy h ALA 539 CO -0.08 0.29 0.08 0.82 0.00 0.00 0.00 179.25 180.36 2ouy h ILE 540 N 0.95 1.19 -0.64 0.00 2.04 -0.72 -2.60 117.51 117.72 2ouy h ILE 540 Ca 0.29 -0.60 -0.04 0.00 1.00 0.00 0.00 64.86 65.51 2ouy h ILE 540 Cb -0.03 1.14 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 2ouy h ILE 540 CO -0.09 0.20 0.24 -0.07 0.00 0.00 0.00 178.15 178.42 2ouy h LEU 541 N 0.22 0.91 -1.64 1.44 3.38 -0.24 -2.63 115.31 116.75 2ouy h LEU 541 Ca 0.08 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 2ouy h LEU 541 Cb 0.23 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2ouy h LEU 541 CO -0.00 0.85 -0.03 1.56 0.09 0.00 0.00 178.44 180.90 2ouy h GLN 542 N 0.92 0.19 -0.07 1.13 1.08 -0.70 -0.89 115.11 116.76 2ouy h GLN 542 Ca 0.21 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.39 2ouy h GLN 542 Cb 0.24 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.64 2ouy h GLN 542 CO -0.01 0.24 0.00 0.09 -0.95 0.00 0.00 178.83 178.19 2ouy n ASN 543 N -4.39 1.88 -2.01 1.46 3.02 -0.99 -3.81 115.26 110.41 2ouy n ASN 543 Ca -0.01 -1.65 0.02 0.00 -0.03 0.00 0.00 54.58 52.91 2ouy n ASN 543 Cb 0.18 -0.04 0.03 0.00 -0.61 0.00 0.00 39.78 39.34 2ouy n ASN 543 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2ouy n ASN 544 N 0.46 1.20 -0.27 6.41 3.02 -0.90 -4.74 115.26 120.44 2ouy n ASN 544 Ca 0.18 -2.01 -0.12 0.00 -0.03 0.00 0.00 54.58 52.60 2ouy n ASN 544 Cb 0.40 -0.36 -0.10 0.00 -0.61 0.00 0.00 39.78 39.11 2ouy n ASN 544 CO 0.00 0.00 0.00 -0.74 -2.62 0.00 0.00 177.26 173.90 2ouy h HIS 545 N 1.61 -1.74 0.00 3.10 2.76 -1.28 0.24 115.15 119.84 2ouy h HIS 545 Ca -0.20 0.10 0.00 0.00 -2.20 0.00 0.00 60.37 58.08 2ouy h HIS 545 Cb 1.66 0.85 0.00 0.00 1.55 0.00 0.00 27.41 31.46 2ouy h HIS 545 CO 0.30 -0.41 0.00 0.25 -1.30 0.00 0.00 177.93 176.77 2ouy n THR 546 N -5.21 0.00 0.48 6.26 -2.24 -1.26 -2.85 114.28 109.46 2ouy n THR 546 Ca -0.01 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.86 2ouy n THR 546 Cb 0.29 -0.55 -0.12 0.00 -2.10 0.00 0.00 70.33 67.85 2ouy n THR 546 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2ouy n LEU 547 N -0.80 0.48 -4.33 3.22 7.94 0.07 -4.97 117.00 118.61 2ouy n LEU 547 Ca 0.07 -0.28 -0.29 0.00 -1.11 0.00 0.00 56.01 54.41 2ouy n LEU 547 Cb 0.03 0.00 -0.14 0.00 0.53 0.00 0.00 43.42 43.84 2ouy n LEU 547 CO 0.06 0.12 -0.56 -0.36 -1.11 0.00 0.00 177.39 175.53 2ouy s PHE 548 N -3.00 2.23 0.66 1.96 0.40 -1.13 -5.14 117.98 113.95 2ouy s PHE 548 Ca 0.01 -0.40 -0.11 0.00 -0.60 0.00 0.00 56.93 55.82 2ouy s PHE 548 Cb 0.13 -1.33 -0.02 0.00 0.51 0.00 0.00 43.02 42.32 2ouy s PHE 548 CO 0.77 0.13 1.05 0.95 0.70 0.00 0.00 175.22 178.83 2ouy s THR 549 N -0.82 4.23 0.25 0.64 -4.23 -1.26 -4.87 115.64 109.58 2ouy s THR 549 Ca 0.11 0.72 -0.05 0.00 -1.18 0.00 0.00 61.69 61.30 2ouy s THR 549 Cb -0.10 -3.68 0.24 0.00 1.34 0.00 0.00 72.50 70.29 2ouy s THR 549 CO 0.02 -0.95 1.87 0.44 -0.54 0.00 0.00 174.62 175.46 2ouy h ASP 550 N -0.48 0.94 -0.37 3.99 3.32 -1.98 -1.02 116.42 120.82 2ouy h ASP 550 Ca -0.44 0.01 -0.06 0.00 0.02 0.00 0.00 57.03 56.56 2ouy h ASP 550 Cb 1.21 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.55 2ouy h ASP 550 CO 0.62 0.61 0.05 -0.07 -1.72 0.00 0.00 179.24 178.73 2ouy h LEU 551 N 1.08 0.67 -0.20 1.55 3.38 -2.00 -2.32 115.31 117.47 2ouy h LEU 551 Ca 0.39 -0.13 -0.14 0.00 0.09 0.00 0.00 57.88 58.09 2ouy h LEU 551 Cb 0.13 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2ouy h LEU 551 CO -0.16 0.71 -0.43 -0.33 0.09 0.00 0.00 178.44 178.32 2ouy h GLU 552 N 0.68 0.63 -0.38 1.13 5.08 -1.71 -1.48 114.58 118.54 2ouy h GLU 552 Ca 0.14 -0.42 0.05 0.00 -1.00 0.00 0.00 59.36 58.14 2ouy h GLU 552 Cb 0.35 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.61 2ouy h GLU 552 CO 0.01 1.04 0.10 0.00 -1.00 0.00 0.00 179.01 179.16 2ouy h ARG 553 N 0.32 0.24 -0.16 2.33 3.08 -1.03 0.12 114.38 119.27 2ouy h ARG 553 Ca 0.00 -0.01 -0.21 0.00 0.07 0.00 0.00 59.98 59.83 2ouy h ARG 553 Cb 1.03 -0.05 0.01 0.00 0.08 0.00 0.00 29.97 31.04 2ouy h ARG 553 CO 0.09 0.16 -0.74 1.57 -1.07 0.00 0.00 179.97 179.98 2ouy h LYS 554 N 0.24 0.74 -0.42 0.04 2.10 -1.45 -2.66 116.57 115.16 2ouy h LYS 554 Ca 0.18 -0.58 -0.07 0.00 -2.00 0.00 0.00 60.65 58.17 2ouy h LYS 554 Cb 0.19 0.11 -0.01 0.00 -0.90 0.00 0.00 32.23 31.62 2ouy h LYS 554 CO -0.21 1.20 -0.02 0.78 -2.00 0.00 0.00 179.45 179.19 2ouy h GLY 555 N 0.70 0.82 1.04 0.07 0.00 -1.00 -2.50 103.07 102.20 2ouy h GLY 555 Ca -0.04 -0.62 -0.10 0.00 0.00 0.00 0.00 47.33 46.57 2ouy h GLY 555 CO 0.15 0.57 -0.10 1.41 0.00 0.00 0.00 176.54 178.57 2ouy h LEU 556 N 0.59 0.92 -0.62 3.11 3.38 -0.81 0.24 115.31 122.11 2ouy h LEU 556 Ca 0.12 -0.35 -0.04 0.00 0.09 0.00 0.00 57.88 57.70 2ouy h LEU 556 Cb 0.52 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 2ouy h LEU 556 CO 0.03 1.06 0.25 -0.07 0.09 0.00 0.00 178.44 179.80 2ouy h LEU 557 N 0.77 0.86 -0.58 1.67 3.38 -1.47 0.35 115.31 120.28 2ouy h LEU 557 Ca 0.12 -0.17 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 2ouy h LEU 557 Cb 0.64 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 2ouy h LEU 557 CO 0.04 0.79 -0.05 0.40 0.09 0.00 0.00 178.44 179.72 2ouy h ILE 558 N 0.87 1.27 -0.59 1.22 1.08 -1.32 -2.43 117.51 117.61 2ouy h ILE 558 Ca 0.21 -1.20 -0.00 0.00 -0.39 0.00 0.00 64.86 63.47 2ouy h ILE 558 Cb 0.20 0.88 -0.03 0.00 -3.07 0.00 0.00 36.82 34.80 2ouy h ILE 558 CO -0.02 0.43 0.37 0.00 -0.69 0.00 0.00 178.15 178.24 2ouy h ALA 559 N 0.96 0.75 -0.74 1.87 0.00 0.02 -1.89 119.26 120.24 2ouy h ALA 559 Ca 0.16 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2ouy h ALA 559 Cb 0.61 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 2ouy h ALA 559 CO 0.04 0.21 0.32 0.00 0.00 0.00 0.00 179.25 179.83 2ouy h LEU 561 N 1.04 0.22 -2.19 0.00 5.85 -1.09 -3.10 115.31 116.05 2ouy h LEU 561 Ca 0.25 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.90 2ouy h LEU 561 Cb 0.17 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.14 2ouy h LEU 561 CO -0.03 0.50 0.00 0.00 -0.34 0.00 0.00 178.44 178.57 2ouy h HIS 563 N 4.15 0.00 0.00 0.00 2.07 -0.61 -2.83 115.15 117.93 2ouy h HIS 563 Ca 0.00 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.51 2ouy h HIS 563 Cb 0.92 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.88 2ouy h HIS 563 CO 0.17 0.02 -0.29 0.09 -3.07 0.00 0.00 177.93 174.85 2ouy n ASN 564 N -3.35 1.81 -4.65 3.10 5.03 -1.26 -4.87 115.26 111.07 2ouy n ASN 564 Ca -0.02 -3.19 -0.49 0.00 0.87 0.00 0.00 54.58 51.75 2ouy n ASN 564 Cb 0.13 -0.43 -0.05 0.00 -1.02 0.00 0.00 39.78 38.41 2ouy n ASN 564 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 2ouy n LEU 565 N -1.06 2.64 -1.76 3.41 4.77 -1.07 -1.88 117.00 122.05 2ouy n LEU 565 Ca 0.15 1.08 -0.17 0.00 -0.03 0.00 0.00 56.01 57.03 2ouy n LEU 565 Cb 0.70 -1.32 -0.03 0.00 -2.33 0.00 0.00 43.42 40.44 2ouy n LEU 565 CO -0.01 -0.50 -0.20 -0.67 -1.33 0.00 0.00 177.39 174.68 2ouy n ASP 566 N 3.81 -5.05 -4.77 -1.43 2.03 -0.44 -4.49 116.55 106.20 2ouy n ASP 566 Ca 0.19 0.12 -0.38 0.00 0.52 0.00 0.00 54.79 55.25 2ouy n ASP 566 Cb 0.24 -4.12 -0.03 0.00 -0.72 0.00 0.00 41.12 36.49 2ouy n ASP 566 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 2ouy s HIS 567 N -2.79 3.20 -0.95 -0.67 2.46 -0.79 -4.95 115.29 110.81 2ouy s HIS 567 Ca 0.00 1.61 0.11 0.00 0.47 0.00 0.00 55.06 57.25 2ouy s HIS 567 Cb 0.00 -3.27 -0.02 0.00 -0.13 0.00 0.00 32.58 29.16 2ouy s HIS 567 CO 0.00 -0.94 0.64 0.54 -2.47 0.00 0.00 174.74 172.51 2ouy n ARG 568 N 0.11 2.24 0.00 2.88 1.74 -1.26 -4.42 116.66 117.95 2ouy n ARG 568 Ca 0.04 -0.54 0.00 0.00 -0.77 0.00 0.00 57.85 56.58 2ouy n ARG 568 Cb 0.48 -1.10 0.00 0.00 -1.02 0.00 0.00 32.46 30.81 2ouy n ARG 568 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2ouy n GLY 569 N 1.00 0.78 0.00 -0.13 0.00 -1.26 -4.98 105.19 100.59 2ouy n GLY 569 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2ouy n GLY 569 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2ouy n PHE 570 N -0.90 0.00 -3.26 1.61 3.01 -1.26 -4.56 117.46 112.09 2ouy n PHE 570 Ca 0.00 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.42 2ouy n PHE 570 Cb 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.42 2ouy n PHE 570 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2ouy s SER 587 N 0.23 -0.37 0.00 4.37 0.15 -1.26 -5.04 113.70 111.79 2ouy s SER 587 Ca 0.00 0.20 0.19 0.00 0.70 0.00 0.00 55.95 57.04 2ouy s SER 587 Cb 0.00 1.49 0.64 0.00 -1.71 0.00 0.00 66.02 66.44 2ouy s SER 587 CO 0.00 -0.31 1.48 0.35 1.20 0.00 0.00 173.24 175.96 2ouy n THR 588 N 5.38 0.29 -3.49 6.45 -2.24 -1.26 -4.96 114.28 114.45 2ouy n THR 588 Ca -0.01 -0.39 -0.20 0.00 -2.27 0.00 0.00 64.05 61.18 2ouy n THR 588 Cb 0.51 0.36 0.03 0.00 -2.10 0.00 0.00 70.33 69.12 2ouy n THR 588 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2ouy n SER 589 N 0.42 -6.08 -0.03 3.42 7.64 -1.26 -4.89 113.62 112.84 2ouy n SER 589 Ca 0.15 -0.71 -0.12 0.00 1.01 0.00 0.00 58.87 59.20 2ouy n SER 589 Cb 0.33 -3.76 -0.08 0.00 -1.01 0.00 0.00 64.21 59.70 2ouy n SER 589 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2ouy h THR 590 N -0.82 1.30 0.00 0.44 2.02 -2.00 -2.88 112.91 110.98 2ouy h THR 590 Ca -0.46 -0.97 -0.00 0.00 0.77 0.00 0.00 66.41 65.75 2ouy h THR 590 Cb 1.26 1.79 0.00 0.00 -1.74 0.00 0.00 68.15 69.46 2ouy h THR 590 CO 0.40 0.27 -0.00 0.24 0.37 0.00 0.00 175.52 176.80 2ouy h MET 591 N -0.20 -0.00 -0.83 6.66 2.07 -1.99 -2.58 114.93 118.07 2ouy h MET 591 Ca 0.02 0.00 0.13 0.00 -2.07 0.00 0.00 59.70 57.78 2ouy h MET 591 Cb 0.44 0.00 -0.09 0.00 -1.87 0.00 0.00 31.60 30.08 2ouy h MET 591 CO 0.01 0.15 0.44 0.93 1.07 0.00 0.00 176.91 179.51 2ouy h GLU 592 N -0.16 0.64 -0.28 1.72 3.07 -1.90 0.46 114.58 118.14 2ouy h GLU 592 Ca -0.00 -0.04 -0.06 0.00 -0.50 0.00 0.00 59.36 58.76 2ouy h GLU 592 Cb 0.16 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 27.91 2ouy h GLU 592 CO 0.00 0.43 -0.07 1.96 -1.40 0.00 0.00 179.01 179.93 2ouy h GLN 593 N 0.66 0.44 -0.12 2.33 4.20 -1.43 -1.98 115.11 119.22 2ouy h GLN 593 Ca 0.43 -0.11 -0.05 0.00 0.06 0.00 0.00 58.65 58.99 2ouy h GLN 593 Cb 0.55 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.27 2ouy h GLN 593 CO -0.32 0.53 -0.11 1.25 -0.67 0.00 0.00 178.83 179.50 2ouy h HIS 594 N 0.42 0.34 -0.96 2.96 2.76 -0.22 -2.32 115.15 118.12 2ouy h HIS 594 Ca 0.09 -0.10 0.15 0.00 -2.20 0.00 0.00 60.37 58.31 2ouy h HIS 594 Cb 0.39 -0.07 -0.08 0.00 1.55 0.00 0.00 27.41 29.19 2ouy h HIS 594 CO 0.01 0.69 0.61 0.45 -1.30 0.00 0.00 177.93 178.39 2ouy h HIS 595 N -0.10 0.99 -0.33 5.26 3.86 0.11 -0.31 115.15 124.63 2ouy h HIS 595 Ca 0.02 0.03 -0.16 0.00 -1.16 0.00 0.00 60.37 59.09 2ouy h HIS 595 Cb 0.62 -0.31 -0.00 0.00 1.06 0.00 0.00 27.41 28.78 2ouy h HIS 595 CO 0.08 0.33 -0.45 0.35 0.86 0.00 0.00 177.93 179.11 2ouy h PHE 596 N 0.81 1.04 -0.17 2.45 3.57 -1.24 -1.91 116.94 121.49 2ouy h PHE 596 Ca 0.50 -0.33 -0.08 0.00 3.53 0.00 0.00 57.97 61.59 2ouy h PHE 596 Cb 0.71 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 2ouy h PHE 596 CO -0.00 1.14 -0.25 0.66 -2.23 0.00 0.00 178.31 177.63 2ouy h SER 597 N 0.68 0.30 -0.54 0.41 4.64 -0.61 -0.45 113.55 117.98 2ouy h SER 597 Ca 0.04 -0.09 -0.12 0.00 -0.47 0.00 0.00 61.79 61.15 2ouy h SER 597 Cb 1.03 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 63.02 2ouy h SER 597 CO 0.10 0.56 -0.12 1.56 -0.87 0.00 0.00 176.83 178.06 2ouy h GLN 598 N 0.28 1.04 0.16 4.77 1.08 -0.97 -1.97 115.11 119.50 2ouy h GLN 598 Ca 0.04 -0.39 -0.01 0.00 -1.45 0.00 0.00 58.65 56.84 2ouy h GLN 598 Cb 0.59 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.96 2ouy h GLN 598 CO 0.04 1.09 -0.08 1.15 -0.95 0.00 0.00 178.83 180.08 2ouy h THR 599 N 0.92 0.90 -0.58 -0.54 2.02 -0.56 -2.19 112.91 112.88 2ouy h THR 599 Ca 0.14 -0.26 0.04 0.00 0.77 0.00 0.00 66.41 67.10 2ouy h THR 599 Cb 0.69 1.06 -0.04 0.00 -1.74 0.00 0.00 68.15 68.12 2ouy h THR 599 CO 0.05 0.06 0.34 -0.37 0.37 0.00 0.00 175.52 175.97 2ouy h VAL 600 N -0.34 1.02 -0.44 3.16 -1.51 -1.09 -2.25 116.25 114.80 2ouy h VAL 600 Ca -0.02 -0.22 0.09 0.00 -1.23 0.00 0.00 66.70 65.31 2ouy h VAL 600 Cb 0.27 0.31 -0.09 0.00 -2.13 0.00 0.00 31.29 29.66 2ouy h VAL 600 CO 0.04 0.12 -0.12 0.28 -1.23 0.00 0.00 177.57 176.66 2ouy h SER 601 N 0.65 -0.44 -0.89 4.19 0.02 -1.17 -1.20 113.55 114.72 2ouy h SER 601 Ca 0.25 0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 61.32 2ouy h SER 601 Cb 0.08 0.29 -0.04 0.00 0.14 0.00 0.00 62.40 62.86 2ouy h SER 601 CO -0.13 -0.16 0.50 0.40 -1.14 0.00 0.00 176.83 176.31 2ouy h ILE 602 N -0.01 1.25 0.00 3.27 2.04 -0.96 -1.95 117.51 121.14 2ouy h ILE 602 Ca 0.21 -0.61 -0.02 0.00 1.00 0.00 0.00 64.86 65.44 2ouy h ILE 602 Cb 0.34 0.04 -0.00 0.00 -0.74 0.00 0.00 36.82 36.45 2ouy h ILE 602 CO -0.46 0.28 -0.11 -0.07 0.00 0.00 0.00 178.15 177.78 2ouy h LEU 603 N 1.23 0.00 -1.60 1.44 3.38 -0.68 -1.88 115.31 117.20 2ouy h LEU 603 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 2ouy h LEU 603 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2ouy h LEU 603 CO -0.05 0.11 0.00 0.00 0.09 0.00 0.00 178.44 178.59 2ouy n GLN 604 N -3.81 2.17 -3.46 1.13 6.02 -0.66 -3.19 117.38 115.58 2ouy n GLN 604 Ca -0.02 -1.31 -0.31 0.00 -0.01 0.00 0.00 57.00 55.35 2ouy n GLN 604 Cb 0.21 -1.49 -0.05 0.00 1.02 0.00 0.00 30.24 29.94 2ouy n GLN 604 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2ouy s LEU 605 N -1.10 4.17 0.04 1.08 1.43 -0.71 -5.01 118.68 118.59 2ouy s LEU 605 Ca 0.24 0.79 -0.34 0.00 -1.03 0.00 0.00 54.13 53.78 2ouy s LEU 605 Cb 0.15 -3.55 -0.13 0.00 0.03 0.00 0.00 46.19 42.68 2ouy s LEU 605 CO 0.12 -0.07 1.70 1.21 0.23 0.00 0.00 176.35 179.54 2ouy n GLU 606 N -0.27 2.11 -1.05 1.70 2.13 -1.26 -0.72 120.64 123.27 2ouy n GLU 606 Ca -0.01 0.77 -0.02 0.00 0.66 0.00 0.00 57.16 58.56 2ouy n GLU 606 Cb 0.53 -2.56 -0.01 0.00 0.27 0.00 0.00 31.44 29.66 2ouy n GLU 606 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2ouy n GLY 607 N 3.82 0.42 0.29 8.31 0.00 -1.26 -4.87 105.19 111.90 2ouy n GLY 607 Ca 0.20 -0.10 0.06 0.00 0.00 0.00 0.00 46.02 46.18 2ouy n GLY 607 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2ouy n HIS 608 N -2.53 0.00 -2.67 1.61 8.25 0.10 -4.60 115.22 115.38 2ouy n HIS 608 Ca -0.02 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.02 2ouy n HIS 608 Cb 0.27 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.35 2ouy n HIS 608 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 2ouy s ASN 609 N -1.56 6.39 0.00 0.41 3.84 -1.19 -4.56 114.94 118.27 2ouy s ASN 609 Ca 0.11 -1.25 0.24 0.00 0.21 0.00 0.00 52.86 52.17 2ouy s ASN 609 Cb 0.10 -2.52 1.18 0.00 -0.55 0.00 0.00 41.25 39.47 2ouy s ASN 609 CO 0.31 -1.50 1.80 2.30 -2.79 0.00 0.00 177.10 177.21 2ouy n ILE 610 N 6.37 0.26 -0.58 -5.21 -5.35 -1.26 -2.74 119.36 110.85 2ouy n ILE 610 Ca 0.19 0.06 0.08 0.00 -0.27 0.00 0.00 62.75 62.81 2ouy n ILE 610 Cb 0.49 -0.66 0.25 0.00 -1.74 0.00 0.00 39.64 37.98 2ouy n ILE 610 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 2ouy n PHE 611 N -1.32 0.91 0.16 4.28 0.99 -1.26 -4.64 117.46 116.57 2ouy n PHE 611 Ca 0.10 -0.66 0.06 0.00 -0.00 0.00 0.00 57.45 56.95 2ouy n PHE 611 Cb 0.21 -0.19 0.53 0.00 -1.00 0.00 0.00 39.48 39.03 2ouy n PHE 611 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 2ouy h SER 612 N 2.52 0.17 0.43 4.37 4.64 -1.93 -1.74 113.55 122.02 2ouy h SER 612 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2ouy h SER 612 Cb 1.18 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 2ouy h SER 612 CO 0.14 0.17 0.00 0.35 -0.87 0.00 0.00 176.83 176.62 2ouy n THR 613 N -4.46 0.30 -2.93 2.95 -2.24 -1.26 -4.81 114.28 101.82 2ouy n THR 613 Ca -0.01 0.07 -0.32 0.00 -2.27 0.00 0.00 64.05 61.52 2ouy n THR 613 Cb 0.12 -0.70 -0.06 0.00 -2.10 0.00 0.00 70.33 67.59 2ouy n THR 613 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2ouy s LEU 614 N -2.58 3.96 0.73 3.22 1.43 -0.66 -5.05 118.68 119.73 2ouy s LEU 614 Ca 0.21 1.43 -0.12 0.00 -1.03 0.00 0.00 54.13 54.62 2ouy s LEU 614 Cb 0.15 -4.27 0.03 0.00 0.03 0.00 0.00 46.19 42.13 2ouy s LEU 614 CO 0.34 -0.31 1.10 -0.94 0.23 0.00 0.00 176.35 176.76 2ouy s SER 615 N -2.41 4.76 0.56 2.29 1.04 -1.26 -4.69 113.70 113.99 2ouy s SER 615 Ca 0.57 1.88 0.28 0.00 0.48 0.00 0.00 55.95 59.16 2ouy s SER 615 Cb -0.10 -2.53 1.46 0.00 0.10 0.00 0.00 66.02 64.95 2ouy s SER 615 CO 0.19 -1.86 1.94 0.77 0.98 0.00 0.00 173.24 175.26 2ouy h SER 616 N -0.69 0.00 0.00 7.02 4.64 -1.96 0.24 113.55 122.80 2ouy h SER 616 Ca -0.45 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.87 2ouy h SER 616 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2ouy h SER 616 CO 0.53 0.00 -0.00 -1.28 -0.87 0.00 0.00 176.83 175.20 2ouy h SER 617 N 0.00 -0.00 -0.86 4.97 0.87 -1.99 -2.68 113.55 113.85 2ouy h SER 617 Ca 0.28 -0.51 0.15 0.00 -1.23 0.00 0.00 61.79 60.48 2ouy h SER 617 Cb 1.22 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 63.08 2ouy h SER 617 CO -0.00 0.75 0.45 -0.33 -0.53 0.00 0.00 176.83 177.17 2ouy h GLU 618 N -1.00 0.62 0.47 2.24 5.08 -1.70 -0.55 114.58 119.73 2ouy h GLU 618 Ca -0.00 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 2ouy h GLU 618 Cb 0.51 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2ouy h GLU 618 CO 0.00 0.41 -0.23 -0.92 -1.00 0.00 0.00 179.01 177.27 2ouy h TYR 619 N 0.63 -0.58 -1.00 4.33 3.20 -0.67 -1.10 116.97 121.78 2ouy h TYR 619 Ca 0.47 -0.01 0.17 0.00 3.14 0.00 0.00 58.73 62.50 2ouy h TYR 619 Cb 0.67 0.19 -0.10 0.00 1.54 0.00 0.00 36.73 39.04 2ouy h TYR 619 CO -0.09 -0.36 0.62 1.49 -1.64 0.00 0.00 178.16 178.18 2ouy h GLU 620 N -0.63 0.80 -0.32 1.82 4.81 -0.94 -1.87 114.58 118.25 2ouy h GLU 620 Ca -0.06 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.01 2ouy h GLU 620 Cb 0.48 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 2ouy h GLU 620 CO 0.11 0.53 -0.21 1.96 -0.73 0.00 0.00 179.01 180.66 2ouy h GLN 621 N 0.83 0.71 -0.30 1.92 4.20 -0.80 -2.84 115.11 118.82 2ouy h GLN 621 Ca 0.55 -0.33 -0.08 0.00 0.06 0.00 0.00 58.65 58.85 2ouy h GLN 621 Cb 0.78 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.54 2ouy h GLN 621 CO -0.33 0.94 -0.14 -0.24 -0.67 0.00 0.00 178.83 178.38 2ouy h VAL 622 N 0.47 1.24 -0.27 -0.54 3.04 -0.45 -1.34 116.25 118.39 2ouy h VAL 622 Ca 0.06 -1.07 -0.10 0.00 -1.01 0.00 0.00 66.70 64.58 2ouy h VAL 622 Cb 0.76 1.17 -0.01 0.00 -2.01 0.00 0.00 31.29 31.20 2ouy h VAL 622 CO 0.06 0.35 -0.26 -0.07 -1.01 0.00 0.00 177.57 176.64 2ouy h LEU 623 N 0.48 0.55 -0.39 3.16 3.38 -1.35 -1.22 115.31 119.91 2ouy h LEU 623 Ca 0.08 -0.19 -0.11 0.00 0.09 0.00 0.00 57.88 57.75 2ouy h LEU 623 Cb 0.53 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2ouy h LEU 623 CO 0.03 0.80 -0.19 -0.33 0.09 0.00 0.00 178.44 178.84 2ouy h GLU 624 N 0.47 0.82 -0.07 1.13 4.39 -1.21 -0.14 114.58 119.98 2ouy h GLU 624 Ca 0.07 -0.36 0.03 0.00 0.34 0.00 0.00 59.36 59.44 2ouy h GLU 624 Cb 0.71 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.30 2ouy h GLU 624 CO 0.05 0.99 -0.13 0.82 -1.16 0.00 0.00 179.01 179.58 2ouy h ILE 625 N 0.63 0.65 -0.47 3.13 2.04 -0.95 -0.95 117.51 121.60 2ouy h ILE 625 Ca 0.09 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.95 2ouy h ILE 625 Cb 0.74 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 2ouy h ILE 625 CO 0.06 0.00 0.29 0.40 0.00 0.00 0.00 178.15 178.90 2ouy h ILE 626 N -0.19 1.14 -0.21 -0.67 2.04 -1.11 -1.27 117.51 117.24 2ouy h ILE 626 Ca 0.07 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.63 2ouy h ILE 626 Cb 0.29 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 2ouy h ILE 626 CO -0.18 0.14 0.13 -0.09 0.00 0.00 0.00 178.15 178.15 2ouy h ARG 627 N 0.63 0.27 -0.04 2.37 2.43 -0.71 -0.74 114.38 118.60 2ouy h ARG 627 Ca 0.17 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.32 2ouy h ARG 627 Cb -0.02 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.46 2ouy h ARG 627 CO -0.03 0.19 0.02 0.87 -1.51 0.00 0.00 179.97 179.51 2ouy h LYS 628 N 0.27 0.05 -0.30 0.20 1.57 -1.06 -1.13 116.57 116.18 2ouy h LYS 628 Ca 0.08 -0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.90 2ouy h LYS 628 Cb -0.02 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.23 2ouy h LYS 628 CO -0.02 0.08 0.03 0.00 -0.57 0.00 0.00 179.45 178.97 2ouy h ALA 629 N 0.97 0.29 -0.53 3.86 0.00 -1.07 -0.25 119.26 122.53 2ouy h ALA 629 Ca 0.01 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2ouy h ALA 629 Cb 0.04 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2ouy h ALA 629 CO -0.00 -0.38 0.28 0.82 0.00 0.00 0.00 179.25 179.96 2ouy h ILE 630 N 0.13 1.18 -0.84 0.00 2.04 -0.98 -2.59 117.51 116.46 2ouy h ILE 630 Ca 0.14 -0.49 -0.03 0.00 1.00 0.00 0.00 64.86 65.48 2ouy h ILE 630 Cb 0.17 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 36.76 2ouy h ILE 630 CO -0.21 0.20 0.40 0.40 0.00 0.00 0.00 178.15 178.94 2ouy h ILE 631 N 0.70 1.26 0.00 -0.67 1.08 -0.79 -2.15 117.51 116.93 2ouy h ILE 631 Ca 0.18 -0.72 0.00 0.00 -0.39 0.00 0.00 64.86 63.93 2ouy h ILE 631 Cb 0.07 0.18 0.00 0.00 -3.07 0.00 0.00 36.82 34.00 2ouy h ILE 631 CO -0.03 0.31 0.00 0.00 -0.69 0.00 0.00 178.15 177.74 2ouy n ALA 632 N -2.42 1.06 1.96 1.87 0.00 -0.14 -1.86 120.51 120.98 2ouy n ALA 632 Ca 0.08 -0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.66 2ouy n ALA 632 Cb 0.14 -1.02 0.82 0.00 0.00 0.00 0.00 19.45 19.39 2ouy n ALA 632 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2ouy n THR 633 N -1.49 0.00 -2.60 0.00 -2.24 -0.81 -4.57 114.28 102.57 2ouy n THR 633 Ca 0.00 -0.02 -0.42 0.00 -2.27 0.00 0.00 64.05 61.35 2ouy n THR 633 Cb 0.01 -0.38 -0.03 0.00 -2.10 0.00 0.00 70.33 67.83 2ouy n THR 633 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2ouy s ASP 634 N -1.88 6.22 0.58 3.42 -1.08 -0.78 -4.86 116.67 118.29 2ouy s ASP 634 Ca 0.42 -0.40 0.30 0.00 -0.52 0.00 0.00 52.55 52.35 2ouy s ASP 634 Cb 0.19 -2.54 1.43 0.00 -1.46 0.00 0.00 42.92 40.55 2ouy s ASP 634 CO 0.33 -1.70 1.83 0.25 0.52 0.00 0.00 175.17 176.39 2ouy h LEU 635 N 12.54 0.00 -2.18 -1.34 5.85 -1.90 0.22 115.31 128.50 2ouy h LEU 635 Ca -0.27 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.45 2ouy h LEU 635 Cb 1.05 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.08 2ouy h LEU 635 CO 1.24 0.00 0.03 0.00 -0.34 0.00 0.00 178.44 179.37 2ouy h ALA 636 N 1.38 1.84 0.00 1.25 0.00 -1.94 -1.28 119.26 120.51 2ouy h ALA 636 Ca 0.32 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.14 2ouy h ALA 636 Cb 1.58 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.36 2ouy h ALA 636 CO -0.00 -0.04 -0.81 -0.07 0.00 0.00 0.00 179.25 178.33 2ouy h LEU 637 N 0.00 0.00 -0.36 0.00 3.38 -0.90 -3.37 115.31 114.06 2ouy h LEU 637 Ca 0.02 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.03 2ouy h LEU 637 Cb 0.07 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 2ouy h LEU 637 CO -0.00 0.39 0.09 0.22 0.09 0.00 0.00 178.44 179.23 2ouy h TYR 638 N 0.00 0.16 -0.17 1.13 3.20 -1.25 -2.42 116.97 117.62 2ouy h TYR 638 Ca -0.05 0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.89 2ouy h TYR 638 Cb 1.34 -0.02 -0.06 0.00 1.54 0.00 0.00 36.73 39.53 2ouy h TYR 638 CO 0.00 0.05 -0.26 0.74 -1.64 0.00 0.00 178.16 177.05 2ouy h PHE 639 N 0.23 -0.70 -0.32 -3.82 -1.00 -1.73 0.36 116.94 109.96 2ouy h PHE 639 Ca 0.17 0.04 -0.02 0.00 2.81 0.00 0.00 57.97 60.97 2ouy h PHE 639 Cb 0.17 0.33 -0.01 0.00 3.61 0.00 0.00 35.95 40.05 2ouy h PHE 639 CO -0.17 -0.34 0.14 0.78 -1.61 0.00 0.00 178.31 177.11 2ouy h GLY 640 N -0.30 0.51 0.72 -1.45 0.00 -1.79 -1.68 103.07 99.08 2ouy h GLY 640 Ca 0.11 -0.27 0.05 0.00 0.00 0.00 0.00 47.33 47.22 2ouy h GLY 640 CO -0.35 0.26 0.25 -0.57 0.00 0.00 0.00 176.54 176.13 2ouy h ASN 641 N 0.38 0.36 -0.35 0.19 -1.24 -0.89 -0.60 115.58 113.43 2ouy h ASN 641 Ca 0.11 0.03 -0.08 0.00 0.71 0.00 0.00 56.30 57.07 2ouy h ASN 641 Cb 0.16 -0.04 -0.02 0.00 0.73 0.00 0.00 38.32 39.16 2ouy h ASN 641 CO -0.01 0.25 -0.04 -0.09 -1.29 0.00 0.00 177.43 176.25 2ouy h ARG 642 N 0.49 0.75 -0.47 6.67 2.43 -0.15 -0.90 114.38 123.21 2ouy h ARG 642 Ca 0.22 -0.22 -0.05 0.00 -0.81 0.00 0.00 59.98 59.13 2ouy h ARG 642 Cb 0.14 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 2ouy h ARG 642 CO -0.16 0.79 0.11 -0.22 -1.51 0.00 0.00 179.97 178.98 2ouy h LYS 643 N 0.70 0.76 0.06 0.20 3.64 -0.66 -0.71 116.57 120.56 2ouy h LYS 643 Ca 0.13 -0.19 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2ouy h LYS 643 Cb 0.49 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 2ouy h LYS 643 CO 0.03 0.75 -0.03 1.96 -2.27 0.00 0.00 179.45 179.89 2ouy h GLN 644 N 0.64 -0.08 -0.77 1.90 1.08 -0.84 -2.62 115.11 114.42 2ouy h GLN 644 Ca 0.15 0.01 0.06 0.00 -1.45 0.00 0.00 58.65 57.42 2ouy h GLN 644 Cb 0.33 0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 27.72 2ouy h GLN 644 CO 0.00 -0.05 0.46 -0.07 -0.95 0.00 0.00 178.83 178.23 2ouy h LEU 645 N -0.09 0.70 -0.15 1.46 3.38 -1.02 -1.79 115.31 117.81 2ouy h LEU 645 Ca -0.01 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.01 2ouy h LEU 645 Cb 0.07 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2ouy h LEU 645 CO 0.01 0.44 -0.01 -0.08 0.09 0.00 0.00 178.44 178.89 2ouy h GLU 646 N 0.83 0.03 -0.23 1.13 4.81 -0.84 -0.27 114.58 120.05 2ouy h GLU 646 Ca 0.34 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.54 2ouy h GLU 646 Cb 0.20 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 2ouy h GLU 646 CO -0.18 0.02 0.01 1.49 -0.73 0.00 0.00 179.01 179.61 2ouy h GLU 647 N 0.03 0.39 -0.71 1.92 4.81 -1.24 0.82 114.58 120.61 2ouy h GLU 647 Ca 0.07 -0.12 0.13 0.00 -0.13 0.00 0.00 59.36 59.31 2ouy h GLU 647 Cb 0.09 -0.04 -0.09 0.00 0.63 0.00 0.00 28.75 29.34 2ouy h GLU 647 CO -0.13 0.57 0.25 0.52 -0.73 0.00 0.00 179.01 179.49 2ouy h MET 648 N 0.17 0.38 -0.22 1.92 2.86 -1.12 0.57 114.93 119.49 2ouy h MET 648 Ca 0.06 -0.02 -0.06 0.00 -2.06 0.00 0.00 59.70 57.62 2ouy h MET 648 Cb 0.39 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 2ouy h MET 648 CO 0.01 0.25 -0.10 -0.92 1.06 0.00 0.00 176.91 177.21 2ouy h TYR 649 N 0.39 0.51 -0.09 -0.22 3.20 -0.83 0.28 116.97 120.21 2ouy h TYR 649 Ca 0.38 -0.13 -0.06 0.00 3.14 0.00 0.00 58.73 62.06 2ouy h TYR 649 Cb 0.57 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 2ouy h TYR 649 CO -0.19 0.72 -0.24 1.96 -1.64 0.00 0.00 178.16 178.77 2ouy h GLN 650 N 0.16 0.15 -0.01 1.82 4.20 0.21 -2.32 115.11 119.30 2ouy h GLN 650 Ca 0.05 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.72 2ouy h GLN 650 Cb 0.59 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.35 2ouy h GLN 650 CO 0.03 0.38 -0.06 0.25 -0.67 0.00 0.00 178.83 178.76 2ouy n THR 651 N -4.20 0.00 -1.66 -0.54 -2.24 0.19 -4.93 114.28 100.90 2ouy n THR 651 Ca -0.01 -0.24 -0.12 0.00 -2.27 0.00 0.00 64.05 61.40 2ouy n THR 651 Cb 0.33 0.56 -0.04 0.00 -2.10 0.00 0.00 70.33 69.09 2ouy n THR 651 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ouy n GLY 652 N 1.23 0.80 0.59 3.38 0.00 -0.64 -4.89 105.19 105.66 2ouy n GLY 652 Ca 0.17 -0.43 0.11 0.00 0.00 0.00 0.00 46.02 45.87 2ouy n GLY 652 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ouy n SER 653 N -0.08 2.22 -4.65 1.61 3.41 0.88 -4.92 113.62 112.08 2ouy n SER 653 Ca -0.13 -1.61 -0.42 0.00 -0.26 0.00 0.00 58.87 56.45 2ouy n SER 653 Cb 0.47 0.36 -0.03 0.00 -0.26 0.00 0.00 64.21 64.76 2ouy n SER 653 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2ouy s LEU 654 N -2.37 4.29 -0.24 1.04 2.96 -0.82 -4.96 118.68 118.59 2ouy s LEU 654 Ca 0.21 2.35 0.00 0.00 -0.22 0.00 0.00 54.13 56.48 2ouy s LEU 654 Cb 0.19 -3.53 0.06 0.00 0.50 0.00 0.00 46.19 43.41 2ouy s LEU 654 CO 0.51 -1.06 -0.04 0.21 -1.32 0.00 0.00 176.35 174.65 2ouy s ASN 655 N 4.15 3.80 0.00 3.68 3.04 -1.26 -4.99 114.94 123.36 2ouy s ASN 655 Ca 0.81 -1.19 0.17 0.00 0.04 0.00 0.00 52.86 52.69 2ouy s ASN 655 Cb -0.37 -1.13 0.90 0.00 -1.54 0.00 0.00 41.25 39.11 2ouy s ASN 655 CO 0.35 -0.25 1.49 0.18 -3.04 0.00 0.00 177.10 175.82 2ouy n LEU 656 N 4.70 0.00 0.12 3.21 4.77 -1.26 -1.67 117.00 126.86 2ouy n LEU 656 Ca -0.11 0.22 0.04 0.00 -0.03 0.00 0.00 56.01 56.12 2ouy n LEU 656 Cb 0.44 -0.22 0.01 0.00 -2.33 0.00 0.00 43.42 41.33 2ouy n LEU 656 CO 0.17 -0.10 0.28 0.78 -1.33 0.00 0.00 177.39 177.20 2ouy h ASN 657 N 0.00 0.00 -3.06 -1.43 2.35 -1.99 -3.43 115.58 108.02 2ouy h ASN 657 Ca 0.00 0.00 -0.58 0.00 -0.55 0.00 0.00 56.30 55.17 2ouy h ASN 657 Cb 0.12 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.43 2ouy h ASN 657 CO 0.00 0.42 0.81 0.21 -1.65 0.00 0.00 177.43 177.23 2ouy s ASN 658 N -6.17 7.08 0.21 5.81 3.04 -0.67 -4.95 114.94 119.29 2ouy s ASN 658 Ca 0.02 1.42 -0.09 0.00 0.04 0.00 0.00 52.86 54.25 2ouy s ASN 658 Cb 0.08 -2.54 0.22 0.00 -1.54 0.00 0.00 41.25 37.46 2ouy s ASN 658 CO 0.76 -0.68 1.84 -0.61 -3.04 0.00 0.00 177.10 175.36 2ouy h GLN 659 N 7.56 0.81 0.00 0.43 5.75 -1.85 -0.86 115.11 126.94 2ouy h GLN 659 Ca -0.20 -0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.24 2ouy h GLN 659 Cb 1.07 -0.18 -0.00 0.00 1.07 0.00 0.00 27.48 29.43 2ouy h GLN 659 CO 0.98 0.53 -0.07 0.66 -2.65 0.00 0.00 178.83 178.28 2ouy h SER 660 N 0.83 0.00 0.41 -0.69 4.64 -1.93 0.11 113.55 116.92 2ouy h SER 660 Ca 0.30 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.30 2ouy h SER 660 Cb 0.07 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.18 2ouy h SER 660 CO -0.13 0.07 -1.44 0.45 -0.87 0.00 0.00 176.83 174.91 2ouy h HIS 661 N 0.00 0.70 -0.70 4.77 3.86 -1.50 -2.63 115.15 119.66 2ouy h HIS 661 Ca -0.00 -0.51 -0.07 0.00 -1.16 0.00 0.00 60.37 58.63 2ouy h HIS 661 Cb 0.18 -0.03 -0.03 0.00 1.06 0.00 0.00 27.41 28.60 2ouy h HIS 661 CO 0.00 1.45 0.17 0.00 0.86 0.00 0.00 177.93 180.41 2ouy h ARG 662 N 0.10 1.11 -0.53 2.45 3.08 -0.51 -1.61 114.38 118.47 2ouy h ARG 662 Ca -0.22 -0.27 0.03 0.00 0.07 0.00 0.00 59.98 59.58 2ouy h ARG 662 Cb 2.07 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 31.94 2ouy h ARG 662 CO 0.22 0.99 0.32 -0.44 -1.07 0.00 0.00 179.97 179.98 2ouy h ASP 663 N 1.05 0.51 -0.34 7.04 3.32 -0.83 0.12 116.42 127.29 2ouy h ASP 663 Ca 0.22 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.27 2ouy h ASP 663 Cb 0.37 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 2ouy h ASP 663 CO 0.00 0.36 0.20 0.03 -1.72 0.00 0.00 179.24 178.11 2ouy h ARG 664 N 0.63 0.46 -0.74 3.56 3.08 -1.08 0.11 114.38 120.39 2ouy h ARG 664 Ca 0.22 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 60.17 2ouy h ARG 664 Cb 0.03 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 29.96 2ouy h ARG 664 CO -0.10 0.35 0.24 0.28 -1.07 0.00 0.00 179.97 179.67 2ouy h VAL 665 N 0.44 1.26 -0.41 2.04 2.07 -0.86 -1.19 116.25 119.60 2ouy h VAL 665 Ca 0.12 -0.89 -0.08 0.00 0.82 0.00 0.00 66.70 66.66 2ouy h VAL 665 Cb 0.01 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 2ouy h VAL 665 CO -0.02 0.35 -0.09 0.40 0.02 0.00 0.00 177.57 178.23 2ouy h ILE 666 N 1.09 1.25 -0.77 4.57 2.04 -0.47 -0.89 117.51 124.33 2ouy h ILE 666 Ca 0.24 -1.10 -0.03 0.00 1.00 0.00 0.00 64.86 64.97 2ouy h ILE 666 Cb 0.29 1.03 -0.04 0.00 -0.74 0.00 0.00 36.82 37.37 2ouy h ILE 666 CO -0.01 0.37 0.38 1.23 0.00 0.00 0.00 178.15 180.12 2ouy h GLY 667 N 0.97 1.18 1.23 5.37 0.00 -0.07 -0.97 103.07 110.78 2ouy h GLY 667 Ca 0.12 -0.58 -0.09 0.00 0.00 0.00 0.00 47.33 46.78 2ouy h GLY 667 CO 0.03 0.55 -0.02 -2.00 0.00 0.00 0.00 176.54 175.10 2ouy h LEU 668 N 1.08 0.91 -0.97 3.11 5.85 -0.76 -2.19 115.31 122.35 2ouy h LEU 668 Ca 0.27 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 2ouy h LEU 668 Cb 0.11 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.85 2ouy h LEU 668 CO -0.03 0.98 0.52 0.24 -0.34 0.00 0.00 178.44 179.80 2ouy h MET 669 N 0.85 1.24 -0.63 1.25 2.86 -0.52 -0.45 114.93 119.52 2ouy h MET 669 Ca 0.15 -0.13 -0.05 0.00 -2.06 0.00 0.00 59.70 57.61 2ouy h MET 669 Cb 0.54 -0.25 -0.03 0.00 0.06 0.00 0.00 31.60 31.92 2ouy h MET 669 CO 0.03 0.88 0.18 0.52 1.06 0.00 0.00 176.91 179.58 2ouy h MET 670 N 1.25 0.99 -0.17 1.72 2.86 -0.76 -0.65 114.93 120.17 2ouy h MET 670 Ca 0.32 -0.22 -0.00 0.00 -2.06 0.00 0.00 59.70 57.74 2ouy h MET 670 Cb -0.02 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.50 2ouy h MET 670 CO -0.06 0.89 0.10 1.15 1.06 0.00 0.00 176.91 180.05 2ouy h THR 671 N 0.92 1.07 -0.97 2.22 2.02 -0.79 0.70 112.91 118.08 2ouy h THR 671 Ca 0.20 -0.15 0.07 0.00 0.77 0.00 0.00 66.41 67.30 2ouy h THR 671 Cb 0.32 0.87 -0.07 0.00 -1.74 0.00 0.00 68.15 67.53 2ouy h THR 671 CO -0.00 0.06 0.62 0.00 0.37 0.00 0.00 175.52 176.57 2ouy h ALA 672 N 1.03 1.46 -0.07 6.16 0.00 -0.78 -1.05 119.26 126.02 2ouy h ALA 672 Ca 0.06 -0.02 -0.25 0.00 0.00 0.00 0.00 54.91 54.71 2ouy h ALA 672 Cb 0.01 -0.28 0.02 0.00 0.00 0.00 0.00 17.79 17.54 2ouy h ALA 672 CO -0.01 0.38 -0.92 0.00 0.00 0.00 0.00 179.25 178.70 2ouy h ASP 674 N 0.46 0.22 -0.39 0.00 3.58 -0.25 -2.67 116.42 117.38 2ouy h ASP 674 Ca -0.09 -0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.31 2ouy h ASP 674 Cb 1.56 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 42.55 2ouy h ASP 674 CO 0.18 0.39 0.00 0.18 -2.88 0.00 0.00 179.24 177.11 2ouy n LEU 675 N -4.27 3.17 0.01 2.28 4.77 -0.45 -4.65 117.00 117.87 2ouy n LEU 675 Ca -0.01 -1.39 0.01 0.00 -0.03 0.00 0.00 56.01 54.59 2ouy n LEU 675 Cb 0.27 -0.25 0.04 0.00 -2.33 0.00 0.00 43.42 41.15 2ouy n LEU 675 CO 0.38 0.70 0.53 0.00 -1.33 0.00 0.00 177.39 177.66 2ouy h SER 677 N 0.00 0.00 -0.02 0.00 0.02 -1.85 0.27 113.55 111.97 2ouy h SER 677 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2ouy h SER 677 Cb 0.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.85 2ouy h SER 677 CO 0.00 0.00 0.00 1.33 -1.14 0.00 0.00 176.83 177.02 2ouy n VAL 678 N -3.07 0.02 -0.06 2.27 0.24 -0.89 -3.61 118.33 113.23 2ouy n VAL 678 Ca -0.02 -0.13 0.05 0.00 -2.04 0.00 0.00 64.34 62.20 2ouy n VAL 678 Cb 0.11 -0.00 0.13 0.00 -1.47 0.00 0.00 33.84 32.61 2ouy n VAL 678 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2ouy n THR 679 N -0.40 0.82 -2.21 3.34 -2.24 0.08 -3.83 114.28 109.84 2ouy n THR 679 Ca 0.21 -0.91 -0.22 0.00 -2.27 0.00 0.00 64.05 60.86 2ouy n THR 679 Cb 0.22 0.63 0.13 0.00 -2.10 0.00 0.00 70.33 69.22 2ouy n THR 679 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2ouy n LYS 680 N 0.49 -0.50 -2.40 -0.78 4.76 -1.24 -4.44 118.16 114.05 2ouy n LYS 680 Ca 0.10 -2.07 -0.36 0.00 -2.87 0.00 0.00 58.31 53.11 2ouy n LYS 680 Cb 0.39 -0.83 -0.02 0.00 -1.84 0.00 0.00 35.03 32.72 2ouy n LYS 680 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2ouy s LEU 681 N 0.00 3.98 0.26 -0.35 1.43 -1.26 -4.66 118.68 118.08 2ouy s LEU 681 Ca 0.60 2.13 -0.06 0.00 -1.03 0.00 0.00 54.13 55.77 2ouy s LEU 681 Cb -0.03 -4.34 0.49 0.00 0.03 0.00 0.00 46.19 42.34 2ouy s LEU 681 CO 0.41 -0.81 1.61 -0.25 0.23 0.00 0.00 176.35 177.54 2ouy h TRP 682 N 1.95 -0.17 0.00 0.29 -0.00 -1.96 0.30 115.95 116.36 2ouy h TRP 682 Ca -0.49 0.07 -0.00 0.00 -0.00 0.00 0.00 58.89 58.46 2ouy h TRP 682 Cb 1.23 0.21 -0.00 0.00 -0.00 0.00 0.00 29.16 30.60 2ouy h TRP 682 CO 0.55 -0.32 -0.02 -1.35 -0.00 0.00 0.00 178.44 177.30 2ouy h PRO 683 N 0.05 0.00 0.00 2.65 0.11 -2.00 0.34 132.00 133.15 2ouy h PRO 683 Ca 0.46 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.42 2ouy h PRO 683 Cb 0.81 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.90 2ouy h PRO 683 CO -0.79 0.02 -0.86 0.28 -0.21 0.00 0.00 178.00 176.44 2ouy h VAL 684 N 0.00 0.87 -0.99 3.15 2.07 -0.84 -3.37 116.25 117.13 2ouy h VAL 684 Ca -0.00 -1.96 0.01 0.00 0.82 0.00 0.00 66.70 65.58 2ouy h VAL 684 Cb 0.06 1.95 -0.05 0.00 -1.52 0.00 0.00 31.29 31.72 2ouy h VAL 684 CO 0.00 0.29 0.66 0.74 0.02 0.00 0.00 177.57 179.28 2ouy h THR 685 N -1.00 1.24 -1.00 2.57 2.02 -0.82 -2.54 112.91 113.37 2ouy h THR 685 Ca -0.22 -0.46 0.20 0.00 0.77 0.00 0.00 66.41 66.71 2ouy h THR 685 Cb 1.06 -0.21 -0.11 0.00 -1.74 0.00 0.00 68.15 67.15 2ouy h THR 685 CO -0.13 0.24 0.61 0.50 0.37 0.00 0.00 175.52 177.11 2ouy h LYS 686 N 1.33 0.72 0.00 6.66 3.64 -0.51 0.14 116.57 128.54 2ouy h LYS 686 Ca 0.37 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.71 2ouy h LYS 686 Cb -0.13 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.53 2ouy h LYS 686 CO -0.09 0.47 0.00 1.28 -2.27 0.00 0.00 179.45 178.85 2ouy n LEU 687 N -4.77 0.00 -1.06 5.20 4.77 -0.96 -3.17 117.00 117.00 2ouy n LEU 687 Ca 0.24 0.16 0.08 0.00 -0.03 0.00 0.00 56.01 56.46 2ouy n LEU 687 Cb 0.60 -0.16 0.28 0.00 -2.33 0.00 0.00 43.42 41.80 2ouy n LEU 687 CO 0.21 -0.03 0.73 0.35 -1.33 0.00 0.00 177.39 177.33 2ouy n THR 688 N -1.16 2.21 -0.16 -5.08 -2.24 0.47 -4.70 114.28 103.61 2ouy n THR 688 Ca 0.16 -1.68 0.12 0.00 -2.27 0.00 0.00 64.05 60.38 2ouy n THR 688 Cb 0.15 -0.16 0.46 0.00 -2.10 0.00 0.00 70.33 68.68 2ouy n THR 688 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ouy h ALA 689 N 2.29 1.97 0.00 6.98 0.00 -1.60 -2.45 119.26 126.45 2ouy h ALA 689 Ca 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2ouy h ALA 689 Cb 1.46 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 2ouy h ALA 689 CO 0.24 -0.15 -0.01 -0.91 0.00 0.00 0.00 179.25 178.43 2ouy h ASN 690 N 0.51 0.00 -0.77 0.00 2.35 -1.89 -3.36 115.58 112.42 2ouy h ASN 690 Ca 0.35 0.00 0.18 0.00 -0.55 0.00 0.00 56.30 56.27 2ouy h ASN 690 Cb 0.64 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 38.89 2ouy h ASN 690 CO -0.12 0.01 0.17 0.44 -1.65 0.00 0.00 177.43 176.28 2ouy h ASP 691 N 0.00 -0.03 0.35 5.81 3.45 -1.81 -0.80 116.42 123.39 2ouy h ASP 691 Ca -0.00 0.16 0.00 0.00 0.43 0.00 0.00 57.03 57.62 2ouy h ASP 691 Cb 0.70 0.23 0.00 0.00 -0.56 0.00 0.00 39.33 39.69 2ouy h ASP 691 CO 0.00 -0.08 0.00 2.30 -1.57 0.00 0.00 179.24 179.89 2ouy n ILE 692 N -5.19 0.65 0.79 0.35 -5.35 -1.26 -1.97 119.36 107.38 2ouy n ILE 692 Ca 0.15 0.16 0.09 0.00 -0.27 0.00 0.00 62.75 62.89 2ouy n ILE 692 Cb 0.50 -0.91 0.01 0.00 -1.74 0.00 0.00 39.64 37.51 2ouy n ILE 692 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 2ouy n TYR 693 N -1.34 0.00 -0.34 4.28 4.02 -0.32 -4.68 117.16 118.78 2ouy n TYR 693 Ca 0.06 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.90 2ouy n TYR 693 Cb 0.14 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.44 2ouy n TYR 693 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2ouy h ALA 694 N 3.18 -0.16 -0.37 -0.72 0.00 -1.29 -0.54 119.26 119.36 2ouy h ALA 694 Ca 0.00 0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 2ouy h ALA 694 Cb 0.63 1.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 2ouy h ALA 694 CO 0.00 -0.77 -0.21 0.93 0.00 0.00 0.00 179.25 179.20 2ouy h GLU 695 N -0.07 0.73 0.44 0.00 5.08 -1.83 -1.26 114.58 117.68 2ouy h GLU 695 Ca 0.25 -0.28 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 2ouy h GLU 695 Cb 0.54 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2ouy h GLU 695 CO -0.89 0.88 -0.23 0.74 -1.00 0.00 0.00 179.01 178.51 2ouy h PHE 696 N 0.64 -0.60 0.00 4.33 0.04 -1.52 -2.31 116.94 117.51 2ouy h PHE 696 Ca 0.09 -0.01 -0.06 0.00 2.80 0.00 0.00 57.97 60.79 2ouy h PHE 696 Cb 0.70 0.20 -0.01 0.00 2.20 0.00 0.00 35.95 39.05 2ouy h PHE 696 CO 0.03 -0.37 -0.30 -1.49 -0.60 0.00 0.00 178.31 175.59 2ouy h TRP 697 N -0.62 0.00 -0.72 -0.55 6.55 -1.14 -1.77 115.95 117.71 2ouy h TRP 697 Ca -0.06 0.00 -0.06 0.00 0.95 0.00 0.00 58.89 59.72 2ouy h TRP 697 Cb 0.49 0.00 -0.03 0.00 -0.86 0.00 0.00 29.16 28.76 2ouy h TRP 697 CO -0.06 0.30 0.20 0.00 -1.05 0.00 0.00 178.44 177.83 2ouy h ALA 698 N 1.70 1.00 -0.34 1.49 0.00 -1.02 0.19 119.26 122.28 2ouy h ALA 698 Ca -0.00 -0.23 -0.16 0.00 0.00 0.00 0.00 54.91 54.51 2ouy h ALA 698 Cb 0.62 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2ouy h ALA 698 CO 0.04 0.66 -0.42 1.49 0.00 0.00 0.00 179.25 181.02 2ouy h GLU 699 N 1.07 0.85 -0.65 0.00 4.81 -0.93 -2.88 114.58 116.85 2ouy h GLU 699 Ca 0.23 -0.46 -0.05 0.00 -0.13 0.00 0.00 59.36 58.95 2ouy h GLU 699 Cb 0.33 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.71 2ouy h GLU 699 CO -0.00 1.10 0.21 0.78 -0.73 0.00 0.00 179.01 180.36 2ouy h GLY 700 N 0.83 1.06 1.38 1.92 0.00 -0.80 -2.31 103.07 105.16 2ouy h GLY 700 Ca 0.05 -0.60 -0.02 0.00 0.00 0.00 0.00 47.33 46.76 2ouy h GLY 700 CO 0.10 0.56 0.30 -0.55 0.00 0.00 0.00 176.54 176.95 2ouy h ASP 701 N 0.95 0.72 -0.23 0.19 3.32 -0.45 -0.06 116.42 120.86 2ouy h ASP 701 Ca 0.21 -0.06 -0.14 0.00 0.02 0.00 0.00 57.03 57.06 2ouy h ASP 701 Cb 0.27 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 2ouy h ASP 701 CO -0.01 0.60 -0.36 -0.33 -1.72 0.00 0.00 179.24 177.42 2ouy h GLU 702 N 0.81 0.76 -0.53 3.56 5.08 -1.26 -2.19 114.58 120.81 2ouy h GLU 702 Ca 0.20 -0.38 -0.06 0.00 -1.00 0.00 0.00 59.36 58.13 2ouy h GLU 702 Cb 0.06 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 2ouy h GLU 702 CO -0.03 1.00 0.10 0.52 -1.00 0.00 0.00 179.01 179.60 2ouy h MET 703 N 0.63 0.88 0.00 2.33 2.86 -0.83 -2.26 114.93 118.55 2ouy h MET 703 Ca 0.06 -0.23 -0.02 0.00 -2.06 0.00 0.00 59.70 57.45 2ouy h MET 703 Cb 0.90 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 32.46 2ouy h MET 703 CO 0.08 0.85 -0.11 0.87 1.06 0.00 0.00 176.91 179.66 2ouy h LYS 704 N 0.76 0.00 0.00 1.72 1.57 -0.86 0.11 116.57 119.87 2ouy h LYS 704 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 2ouy h LYS 704 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 2ouy h LYS 704 CO 0.01 0.11 0.00 0.87 -0.57 0.00 0.00 179.45 179.86 2ouy h LYS 705 N 0.00 0.00 -0.61 3.15 1.57 -0.77 -1.36 116.57 118.54 2ouy h LYS 705 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2ouy h LYS 705 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 2ouy h LYS 705 CO 0.01 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.17 2ouy n LEU 706 N -3.06 3.32 -0.08 2.94 4.77 -0.02 -4.90 117.00 119.97 2ouy n LEU 706 Ca -0.00 -1.66 -0.01 0.00 -0.03 0.00 0.00 56.01 54.30 2ouy n LEU 706 Cb 0.24 -0.42 -0.00 0.00 -2.33 0.00 0.00 43.42 40.91 2ouy n LEU 706 CO 0.25 0.81 -0.01 0.61 -1.33 0.00 0.00 177.39 177.71 2ouy n GLY 707 N 1.43 0.49 3.77 -0.72 0.00 -0.51 -5.03 105.19 104.62 2ouy n GLY 707 Ca 0.20 -0.58 -0.36 0.00 0.00 0.00 0.00 46.02 45.29 2ouy n GLY 707 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ouy s ILE 708 N -2.00 5.34 -0.65 -0.61 1.01 -0.92 -5.00 121.20 118.37 2ouy s ILE 708 Ca 0.00 0.42 -0.21 0.00 0.00 0.00 0.00 60.65 60.86 2ouy s ILE 708 Cb 0.00 -3.56 0.09 0.00 0.01 0.00 0.00 42.46 39.00 2ouy s ILE 708 CO 0.00 0.46 0.88 -1.58 0.00 0.00 0.00 174.94 174.70 2ouy s GLN 709 N 0.03 3.11 1.01 2.79 2.00 -1.26 -3.39 119.66 123.95 2ouy s GLN 709 Ca 0.15 -1.06 -0.11 0.00 -2.00 0.00 0.00 55.36 52.33 2ouy s GLN 709 Cb -0.13 -4.28 0.20 0.00 0.80 0.00 0.00 33.01 29.60 2ouy s GLN 709 CO 0.03 -1.72 1.09 -1.25 -0.50 0.00 0.00 175.29 172.94 2ouy s PRO 710 N 3.50 0.29 0.63 1.67 0.04 -1.26 -4.98 135.00 134.89 2ouy s PRO 710 Ca 0.19 1.11 -0.18 0.00 0.04 0.00 0.00 61.00 62.16 2ouy s PRO 710 Cb -0.19 -1.67 -0.02 0.00 0.04 0.00 0.00 34.50 32.66 2ouy s PRO 710 CO 0.08 -2.99 1.24 0.96 0.04 0.00 0.00 177.00 176.32 2ouy s ILE 711 N -2.63 2.38 0.30 0.56 -4.36 -1.26 -4.76 121.20 111.42 2ouy s ILE 711 Ca 0.67 0.23 0.01 0.00 -0.26 0.00 0.00 60.65 61.29 2ouy s ILE 711 Cb -0.23 -3.04 0.41 0.00 1.25 0.00 0.00 42.46 40.85 2ouy s ILE 711 CO 0.60 -0.06 1.51 -2.65 0.24 0.00 0.00 174.94 174.59 2ouy n PRO 712 N -1.87 -0.08 0.23 0.37 -0.02 -1.26 -1.34 135.00 131.03 2ouy n PRO 712 Ca 0.14 1.45 0.16 0.00 -2.02 0.00 0.00 63.50 63.24 2ouy n PRO 712 Cb 0.49 -2.29 0.72 0.00 -0.02 0.00 0.00 33.50 32.40 2ouy n PRO 712 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ouy h MET 713 N 0.00 0.00 -0.36 -0.52 -0.00 -1.92 -1.64 114.93 110.50 2ouy h MET 713 Ca 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 60.27 2ouy h MET 713 Cb 1.15 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.75 2ouy h MET 713 CO -0.92 0.00 0.00 -1.33 -0.00 0.00 0.00 176.91 174.66 2ouy n MET 714 N -2.69 2.47 -3.29 -0.10 2.81 -0.45 -4.61 117.12 111.25 2ouy n MET 714 Ca -0.00 -2.04 -0.42 0.00 -1.81 0.00 0.00 57.70 53.43 2ouy n MET 714 Cb 0.19 -1.33 -0.08 0.00 -0.71 0.00 0.00 33.22 31.28 2ouy n MET 714 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2ouy s ASP 715 N -1.04 6.25 0.50 7.83 -1.08 -0.62 -3.67 116.67 124.84 2ouy s ASP 715 Ca 0.27 -0.29 0.26 0.00 -0.52 0.00 0.00 52.55 52.27 2ouy s ASP 715 Cb 0.15 -2.24 1.33 0.00 -1.46 0.00 0.00 42.92 40.70 2ouy s ASP 715 CO 0.20 -0.50 1.89 -0.09 0.52 0.00 0.00 175.17 177.19 2ouy h ARG 716 N 8.58 0.14 -0.00 4.34 2.43 -1.86 -0.51 114.38 127.50 2ouy h ARG 716 Ca -0.28 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 2ouy h ARG 716 Cb 1.12 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 2ouy h ARG 716 CO 0.77 0.09 -0.03 -0.25 -1.51 0.00 0.00 179.97 179.04 2ouy n ASP 717 N -4.37 0.05 -4.23 -3.80 8.00 -1.26 -4.56 116.55 106.39 2ouy n ASP 717 Ca 0.17 0.13 -0.42 0.00 0.71 0.00 0.00 54.79 55.38 2ouy n ASP 717 Cb 0.82 -0.35 -0.06 0.00 -0.02 0.00 0.00 41.12 41.51 2ouy n ASP 717 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2ouy s LYS 718 N -2.79 3.07 0.00 -1.24 1.02 -0.20 -4.85 119.74 114.75 2ouy s LYS 718 Ca 0.21 -2.41 0.08 0.00 0.02 0.00 0.00 55.97 53.87 2ouy s LYS 718 Cb 0.20 -4.10 0.19 0.00 -0.52 0.00 0.00 37.83 33.59 2ouy s LYS 718 CO 0.50 -1.24 1.11 1.63 -0.92 0.00 0.00 175.35 176.43 2ouy n LYS 719 N 3.90 2.39 0.12 1.68 5.02 -1.26 -4.69 118.16 125.32 2ouy n LYS 719 Ca 0.09 -1.73 0.06 0.00 -2.02 0.00 0.00 58.31 54.70 2ouy n LYS 719 Cb 0.43 -1.19 0.52 0.00 -0.02 0.00 0.00 35.03 34.77 2ouy n LYS 719 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2ouy h ASP 720 N 1.50 0.25 -0.67 4.39 3.32 -1.99 -2.54 116.42 120.68 2ouy h ASP 720 Ca 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 2ouy h ASP 720 Cb 0.61 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.09 2ouy h ASP 720 CO 0.00 0.19 0.00 -0.62 -1.72 0.00 0.00 179.24 177.09 2ouy n GLU 721 N -4.50 3.40 -0.27 3.56 4.71 -1.26 -4.48 120.64 121.81 2ouy n GLU 721 Ca 0.00 -2.76 0.01 0.00 -0.01 0.00 0.00 57.16 54.40 2ouy n GLU 721 Cb 0.08 -1.80 0.14 0.00 -1.01 0.00 0.00 31.44 28.85 2ouy n GLU 721 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 2ouy h VAL 722 N 4.11 0.95 -0.69 2.62 2.07 -1.78 -0.50 116.25 123.03 2ouy h VAL 722 Ca 0.00 -0.26 0.04 0.00 0.82 0.00 0.00 66.70 67.30 2ouy h VAL 722 Cb 1.30 0.11 -0.05 0.00 -1.52 0.00 0.00 31.29 31.13 2ouy h VAL 722 CO 0.16 0.14 0.41 -0.65 0.02 0.00 0.00 177.57 177.66 2ouy h PRO 723 N 0.77 0.77 -0.59 1.57 0.11 -1.82 -0.76 132.00 132.05 2ouy h PRO 723 Ca 0.35 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.39 2ouy h PRO 723 Cb 0.26 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 31.17 2ouy h PRO 723 CO -0.21 0.51 0.25 1.96 -0.21 0.00 0.00 178.00 180.30 2ouy h GLN 724 N 0.79 0.84 -0.73 1.05 4.20 -1.62 -1.89 115.11 117.76 2ouy h GLN 724 Ca 0.29 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.88 2ouy h GLN 724 Cb 0.09 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 27.68 2ouy h GLN 724 CO -0.14 0.68 0.46 0.78 -0.67 0.00 0.00 178.83 179.94 2ouy h GLY 725 N 0.94 1.04 0.96 3.46 0.00 0.22 -1.04 103.07 108.66 2ouy h GLY 725 Ca 0.20 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 47.10 2ouy h GLY 725 CO -0.02 0.40 -0.22 1.46 0.00 0.00 0.00 176.54 178.15 2ouy h GLN 726 N 0.99 -0.58 -0.50 4.80 1.08 -0.44 0.13 115.11 120.58 2ouy h GLN 726 Ca 0.26 0.04 0.09 0.00 -1.45 0.00 0.00 58.65 57.60 2ouy h GLN 726 Cb -0.07 0.13 -0.08 0.00 -0.05 0.00 0.00 27.48 27.41 2ouy h GLN 726 CO -0.05 -0.38 0.03 1.25 -0.95 0.00 0.00 178.83 178.72 2ouy h LEU 727 N -0.60 -0.15 -0.55 1.46 5.85 -1.18 0.22 115.31 120.38 2ouy h LEU 727 Ca -0.05 0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 2ouy h LEU 727 Cb 0.47 0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 2ouy h LEU 727 CO 0.08 -0.04 0.33 1.23 -0.34 0.00 0.00 178.44 179.69 2ouy h GLY 728 N 0.15 0.79 0.93 3.75 0.00 -0.94 -1.86 103.07 105.89 2ouy h GLY 728 Ca 0.25 -0.32 -0.03 0.00 0.00 0.00 0.00 47.33 47.23 2ouy h GLY 728 CO -0.39 0.31 0.12 -2.75 0.00 0.00 0.00 176.54 173.84 2ouy h PHE 729 N 0.73 0.57 -0.17 5.60 3.57 0.32 -0.88 116.94 126.69 2ouy h PHE 729 Ca 0.20 -0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.66 2ouy h PHE 729 Cb -0.02 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.53 2ouy h PHE 729 CO -0.03 0.54 0.06 1.88 -2.23 0.00 0.00 178.31 178.54 2ouy h TYR 730 N 0.44 0.11 -0.21 0.41 -1.99 -0.41 0.29 116.97 115.61 2ouy h TYR 730 Ca 0.12 0.01 -0.14 0.00 2.00 0.00 0.00 58.73 60.72 2ouy h TYR 730 Cb 0.23 -0.03 -0.01 0.00 2.00 0.00 0.00 36.73 38.93 2ouy h TYR 730 CO 0.00 0.06 -0.44 -0.91 -0.00 0.00 0.00 178.16 176.87 2ouy h ASN 731 N 0.14 0.57 0.46 3.88 2.35 -1.26 0.37 115.58 122.10 2ouy h ASN 731 Ca 0.07 -0.27 -0.30 0.00 -0.55 0.00 0.00 56.30 55.25 2ouy h ASN 731 Cb 0.04 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.25 2ouy h ASN 731 CO -0.07 0.94 -1.47 0.00 -1.65 0.00 0.00 177.43 175.18 2ouy h ALA 732 N 1.09 0.17 0.00 -0.83 0.00 -1.02 -3.41 119.26 115.26 2ouy h ALA 732 Ca 0.03 -1.03 0.00 0.00 0.00 0.00 0.00 54.91 53.91 2ouy h ALA 732 Cb 0.95 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2ouy h ALA 732 CO 0.08 1.04 -0.15 0.28 0.00 0.00 0.00 179.25 180.51 2ouy n VAL 733 N -3.51 1.12 0.05 0.00 0.31 0.99 -4.76 118.33 112.53 2ouy n VAL 733 Ca -0.15 0.33 -0.12 0.00 -0.01 0.00 0.00 64.34 64.39 2ouy n VAL 733 Cb 1.05 -1.64 -0.07 0.00 -0.91 0.00 0.00 33.84 32.26 2ouy n VAL 733 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ouy h ALA 734 N -0.19 -0.04 -0.39 3.52 0.00 -1.35 -2.45 119.26 118.37 2ouy h ALA 734 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2ouy h ALA 734 Cb 0.15 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2ouy h ALA 734 CO 0.00 -0.50 0.26 0.82 0.00 0.00 0.00 179.25 179.83 2ouy h ILE 735 N -0.08 1.10 -0.93 0.00 1.08 -0.52 -1.62 117.51 116.52 2ouy h ILE 735 Ca -0.00 -0.18 -0.01 0.00 -0.39 0.00 0.00 64.86 64.28 2ouy h ILE 735 Cb 0.07 0.53 -0.04 0.00 -3.07 0.00 0.00 36.82 34.31 2ouy h ILE 735 CO 0.01 0.10 0.55 -0.65 -0.69 0.00 0.00 178.15 177.46 2ouy h PRO 736 N 0.52 1.27 0.63 2.37 0.11 -1.76 -0.65 132.00 134.49 2ouy h PRO 736 Ca 0.14 -0.12 -0.03 0.00 0.11 0.00 0.00 66.00 66.10 2ouy h PRO 736 Cb -0.06 -0.26 -0.00 0.00 0.11 0.00 0.00 31.00 30.79 2ouy h PRO 736 CO -0.03 0.90 -0.36 0.00 -0.21 0.00 0.00 178.00 178.29 2ouy h TYR 738 N -0.93 0.00 -0.06 0.00 -1.99 -1.19 -0.72 116.97 112.07 2ouy h TYR 738 Ca -0.08 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.60 2ouy h TYR 738 Cb 0.74 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.47 2ouy h TYR 738 CO -0.08 0.15 -0.16 1.15 -0.00 0.00 0.00 178.16 179.22 2ouy h THR 739 N 0.00 1.43 -0.40 -2.88 2.02 -0.98 -1.33 112.91 110.78 2ouy h THR 739 Ca -0.00 -1.52 -0.11 0.00 0.77 0.00 0.00 66.41 65.54 2ouy h THR 739 Cb 0.55 2.27 -0.01 0.00 -1.74 0.00 0.00 68.15 69.22 2ouy h THR 739 CO 0.02 0.42 -0.22 0.74 0.37 0.00 0.00 175.52 176.86 2ouy h THR 740 N -0.29 1.27 -0.38 3.16 2.02 -1.10 -1.60 112.91 116.00 2ouy h THR 740 Ca -0.00 -1.33 -0.03 0.00 0.77 0.00 0.00 66.41 65.82 2ouy h THR 740 Cb 0.77 1.20 -0.02 0.00 -1.74 0.00 0.00 68.15 68.36 2ouy h THR 740 CO 0.04 0.45 0.14 0.25 0.37 0.00 0.00 175.52 176.76 2ouy h LEU 741 N 0.69 0.54 -1.45 2.58 5.85 -1.15 -2.39 115.31 119.97 2ouy h LEU 741 Ca 0.10 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 2ouy h LEU 741 Cb 0.73 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.60 2ouy h LEU 741 CO 0.06 0.58 0.09 0.74 -0.34 0.00 0.00 178.44 179.57 2ouy h THR 742 N 0.46 1.14 -0.25 1.05 2.02 -1.02 0.58 112.91 116.90 2ouy h THR 742 Ca 0.12 -0.49 -0.02 0.00 0.77 0.00 0.00 66.41 66.79 2ouy h THR 742 Cb 0.22 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 2ouy h THR 742 CO -0.01 0.18 0.09 1.56 0.37 0.00 0.00 175.52 177.71 2ouy h GLN 743 N 0.45 0.38 -0.01 6.66 4.20 -0.87 -2.20 115.11 123.73 2ouy h GLN 743 Ca 0.11 -0.08 -0.21 0.00 0.06 0.00 0.00 58.65 58.54 2ouy h GLN 743 Cb 0.15 -0.06 0.02 0.00 0.30 0.00 0.00 27.48 27.89 2ouy h GLN 743 CO -0.01 0.44 -0.80 0.82 -0.67 0.00 0.00 178.83 178.61 2ouy h ILE 744 N 0.25 1.35 -3.01 2.54 2.04 -1.04 -3.39 117.51 116.25 2ouy h ILE 744 Ca 0.08 -2.14 -0.62 0.00 1.00 0.00 0.00 64.86 63.19 2ouy h ILE 744 Cb 0.21 2.46 -0.41 0.00 -0.74 0.00 0.00 36.82 38.33 2ouy h ILE 744 CO -0.00 0.64 -0.63 -0.76 0.00 0.00 0.00 178.15 177.40 2ouy s LEU 745 N -8.25 4.30 0.42 1.44 1.43 0.20 -4.99 118.68 113.24 2ouy s LEU 745 Ca -0.12 -3.68 0.25 0.00 -1.03 0.00 0.00 54.13 49.56 2ouy s LEU 745 Cb 0.05 -1.47 1.28 0.00 0.03 0.00 0.00 46.19 46.08 2ouy s LEU 745 CO 0.87 -0.11 1.70 -0.65 0.23 0.00 0.00 176.35 178.39 2ouy h PRO 746 N 5.53 0.22 0.00 1.29 0.11 -1.60 -0.33 132.00 137.21 2ouy h PRO 746 Ca 0.14 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.24 2ouy h PRO 746 Cb 0.79 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.85 2ouy h PRO 746 CO 0.67 0.15 0.00 -2.30 -0.21 0.00 0.00 178.00 176.30 2ouy n PRO 747 N -4.64 0.12 -0.07 1.05 -0.02 -1.26 -1.86 135.00 128.32 2ouy n PRO 747 Ca 0.31 0.50 0.07 0.00 -2.02 0.00 0.00 63.50 62.36 2ouy n PRO 747 Cb 1.16 -1.81 0.28 0.00 -0.02 0.00 0.00 33.50 33.11 2ouy n PRO 747 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2ouy n THR 748 N -2.06 0.18 -0.33 3.45 -2.24 -0.13 -4.34 114.28 108.81 2ouy n THR 748 Ca 0.01 -0.22 0.21 0.00 -2.27 0.00 0.00 64.05 61.78 2ouy n THR 748 Cb 0.11 0.10 0.48 0.00 -2.10 0.00 0.00 70.33 68.92 2ouy n THR 748 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2ouy h GLU 749 N 1.17 0.43 -0.58 -0.78 4.81 -1.55 -1.00 114.58 117.07 2ouy h GLU 749 Ca 0.00 -0.03 0.17 0.00 -0.13 0.00 0.00 59.36 59.37 2ouy h GLU 749 Cb 0.26 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 2ouy h GLU 749 CO 0.00 0.29 0.43 -1.35 -0.73 0.00 0.00 179.01 177.64 2ouy h PRO 750 N 0.45 0.00 -0.15 0.92 0.11 -1.87 -0.91 132.00 130.55 2ouy h PRO 750 Ca 0.61 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.70 2ouy h PRO 750 Cb 1.43 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.54 2ouy h PRO 750 CO -0.34 0.00 0.04 -0.07 -0.21 0.00 0.00 178.00 177.42 2ouy h LEU 751 N 0.00 0.22 -0.53 2.35 3.38 -1.53 -0.34 115.31 118.85 2ouy h LEU 751 Ca 0.28 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 2ouy h LEU 751 Cb 1.13 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 2ouy h LEU 751 CO -0.00 0.39 0.20 0.25 0.09 0.00 0.00 178.44 179.36 2ouy h LEU 752 N 0.04 0.75 -0.55 1.67 5.85 -1.33 0.08 115.31 121.83 2ouy h LEU 752 Ca 0.05 -0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.59 2ouy h LEU 752 Cb 0.25 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 2ouy h LEU 752 CO 0.00 0.73 0.36 0.50 -0.34 0.00 0.00 178.44 179.70 2ouy h LYS 753 N 0.73 0.72 -0.57 1.25 3.64 -1.10 -0.49 116.57 120.75 2ouy h LYS 753 Ca 0.18 -0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 59.41 2ouy h LYS 753 Cb 0.23 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 2ouy h LYS 753 CO -0.01 0.47 -0.06 0.00 -2.27 0.00 0.00 179.45 177.58 2ouy h ALA 754 N 1.20 0.81 -0.19 5.00 0.00 -0.87 -1.65 119.26 123.57 2ouy h ALA 754 Ca 0.20 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 2ouy h ALA 754 Cb -0.08 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 2ouy h ALA 754 CO -0.05 0.67 0.10 0.00 0.00 0.00 0.00 179.25 179.98 2ouy h ARG 756 N 0.20 1.07 -0.67 0.00 3.08 -1.00 -0.70 114.38 116.36 2ouy h ARG 756 Ca 0.07 -0.11 0.03 0.00 0.07 0.00 0.00 59.98 60.03 2ouy h ARG 756 Cb 0.06 -0.22 -0.04 0.00 0.08 0.00 0.00 29.97 29.86 2ouy h ARG 756 CO -0.01 0.78 0.42 -0.44 -1.07 0.00 0.00 179.97 179.64 2ouy h ASP 757 N 1.07 0.68 -0.03 7.04 3.32 -1.07 -1.34 116.42 126.10 2ouy h ASP 757 Ca 0.28 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.21 2ouy h ASP 757 Cb 0.00 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 2ouy h ASP 757 CO -0.05 0.47 -0.36 0.78 -1.72 0.00 0.00 179.24 178.37 2ouy h ASN 758 N 0.82 0.55 -0.69 6.45 2.35 -0.96 -2.29 115.58 121.81 2ouy h ASN 758 Ca 0.27 -0.23 0.02 0.00 -0.55 0.00 0.00 56.30 55.81 2ouy h ASN 758 Cb 0.02 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 38.20 2ouy h ASN 758 CO -0.11 0.86 0.44 0.25 -1.65 0.00 0.00 177.43 177.23 2ouy h LEU 759 N 0.44 0.74 -0.78 1.61 6.46 -0.54 -0.40 115.31 122.84 2ouy h LEU 759 Ca 0.05 -0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.79 2ouy h LEU 759 Cb 0.83 -0.17 -0.04 0.00 -0.73 0.00 0.00 40.66 40.55 2ouy h LEU 759 CO 0.07 0.53 0.48 -1.28 -0.62 0.00 0.00 178.44 177.62 2ouy h SER 760 N 0.88 0.93 -0.71 1.25 0.87 -0.99 -1.59 113.55 114.20 2ouy h SER 760 Ca 0.26 -0.06 -0.07 0.00 -1.23 0.00 0.00 61.79 60.70 2ouy h SER 760 Cb -0.04 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 61.65 2ouy h SER 760 CO -0.08 0.71 0.18 1.56 -0.53 0.00 0.00 176.83 178.67 2ouy h GLN 761 N 1.07 1.13 -0.63 2.24 1.08 -0.77 -2.24 115.11 116.99 2ouy h GLN 761 Ca 0.28 -0.27 -0.05 0.00 -1.45 0.00 0.00 58.65 57.17 2ouy h GLN 761 Cb -0.06 -0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 27.19 2ouy h GLN 761 CO -0.05 0.99 0.19 -1.49 -0.95 0.00 0.00 178.83 177.52 2ouy h TRP 762 N 1.07 0.97 -0.27 2.96 4.06 -0.62 -1.21 115.95 122.92 2ouy h TRP 762 Ca 0.22 -0.08 0.01 0.00 2.06 0.00 0.00 58.89 61.10 2ouy h TRP 762 Cb 0.36 -0.29 -0.02 0.00 -1.00 0.00 0.00 29.16 28.22 2ouy h TRP 762 CO 0.03 0.78 0.16 0.93 -3.56 0.00 0.00 178.44 176.78 2ouy h GLU 763 N 0.92 0.32 -0.85 0.49 5.08 -0.91 -0.76 114.58 118.87 2ouy h GLU 763 Ca 0.21 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.54 2ouy h GLU 763 Cb 0.26 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 2ouy h GLU 763 CO -0.01 0.21 0.52 0.87 -1.00 0.00 0.00 179.01 179.60 2ouy h LYS 764 N 0.33 1.14 -0.55 2.33 1.57 -0.98 0.59 116.57 121.00 2ouy h LYS 764 Ca 0.10 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 2ouy h LYS 764 Cb -0.01 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 32.03 2ouy h LYS 764 CO -0.05 0.79 0.30 0.28 -0.57 0.00 0.00 179.45 180.21 2ouy h VAL 765 N 1.17 1.18 -0.65 0.50 2.07 -0.62 0.26 116.25 120.16 2ouy h VAL 765 Ca 0.31 -0.47 -0.09 0.00 0.82 0.00 0.00 66.70 67.27 2ouy h VAL 765 Cb -0.07 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 2ouy h VAL 765 CO -0.06 0.20 0.06 0.40 0.02 0.00 0.00 177.57 178.19 2ouy h ILE 766 N 0.74 1.27 -0.10 4.57 2.04 -0.44 -2.77 117.51 122.82 2ouy h ILE 766 Ca 0.19 -1.10 0.00 0.00 1.00 0.00 0.00 64.86 64.96 2ouy h ILE 766 Cb 0.05 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 36.83 2ouy h ILE 766 CO -0.03 0.41 0.00 0.54 0.00 0.00 0.00 178.15 179.07 2ouy n ARG 767 N -4.20 1.28 -1.26 2.37 1.74 0.13 -4.88 116.66 111.85 2ouy n ARG 767 Ca 0.04 -0.37 -0.09 0.00 -0.77 0.00 0.00 57.85 56.65 2ouy n ARG 767 Cb 0.32 -1.16 -0.04 0.00 -1.02 0.00 0.00 32.46 30.57 2ouy n ARG 767 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2ouy n GLY 768 N 0.58 1.05 2.37 -0.13 0.00 -0.91 -5.01 105.19 103.14 2ouy n GLY 768 Ca 0.03 -0.38 -0.15 0.00 0.00 0.00 0.00 46.02 45.52 2ouy n GLY 768 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ouy n GLU 769 N -2.25 -0.15 0.00 1.61 1.02 0.88 -5.01 120.64 116.73 2ouy n GLU 769 Ca -0.09 -1.53 0.00 0.00 -0.02 0.00 0.00 57.16 55.52 2ouy n GLU 769 Cb 0.36 -0.55 0.00 0.00 -0.02 0.00 0.00 31.44 31.23 2ouy n GLU 769 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70