#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hqw h ALA 456 N 0.00 1.36 -0.73 3.55 0.00 -2.05 -0.74 119.26 120.64 3hqw h ALA 456 Ca 0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3hqw h ALA 456 Cb 0.00 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 3hqw h ALA 456 CO 0.00 0.34 0.25 -0.09 0.00 0.00 0.00 179.25 179.75 3hqw h ARG 457 N 1.07 1.12 -0.26 0.00 2.43 -2.04 -2.07 114.38 114.62 3hqw h ARG 457 Ca 0.43 -0.22 -0.13 0.00 -0.81 0.00 0.00 59.98 59.25 3hqw h ARG 457 Cb 0.25 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.62 3hqw h ARG 457 CO -0.20 0.94 -0.35 0.82 -1.51 0.00 0.00 179.97 179.67 3hqw h ILE 458 N 1.08 1.31 -0.90 1.20 2.04 -1.79 -0.41 117.51 120.03 3hqw h ILE 458 Ca 0.24 -1.54 0.12 0.00 1.00 0.00 0.00 64.86 64.68 3hqw h ILE 458 Cb 0.27 1.67 -0.07 0.00 -0.74 0.00 0.00 36.82 37.95 3hqw h ILE 458 CO -0.01 0.49 0.58 0.00 0.00 0.00 0.00 178.15 179.21 3hqw h ARG 460 N 0.82 -0.21 0.00 0.00 2.43 -1.26 -3.38 114.38 112.78 3hqw h ARG 460 Ca 0.44 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.62 3hqw h ARG 460 Cb 0.54 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 3hqw h ARG 460 CO -0.20 0.18 -0.15 -0.44 -1.51 0.00 0.00 179.97 177.85 3hqw h ASP 461 N -0.93 0.00 0.22 -3.80 3.32 -0.84 -3.08 116.42 111.31 3hqw h ASP 461 Ca -0.02 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 3hqw h ASP 461 Cb 0.49 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.04 3hqw h ASP 461 CO 0.04 0.02 -0.05 -0.29 -1.72 0.00 0.00 179.24 177.24 3hqw h ILE 462 N 0.00 0.39 0.00 0.35 2.10 -1.11 -1.28 117.51 117.96 3hqw h ILE 462 Ca 0.00 -0.25 0.00 0.00 1.08 0.00 0.00 64.86 65.69 3hqw h ILE 462 Cb 0.78 1.17 0.00 0.00 -1.09 0.00 0.00 36.82 37.68 3hqw h ILE 462 CO 0.00 0.05 0.00 -0.62 -1.08 0.00 0.00 178.15 176.50 3hqw n GLU 463 N -3.55 0.19 -2.67 2.19 -0.58 -1.16 -4.78 120.64 110.29 3hqw n GLU 463 Ca -0.02 0.29 -0.41 0.00 -0.42 0.00 0.00 57.16 56.60 3hqw n GLU 463 Cb 0.16 -1.79 -0.05 0.00 -0.57 0.00 0.00 31.44 29.19 3hqw n GLU 463 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3hqw s LEU 464 N -4.28 4.53 0.40 -4.62 1.43 -0.48 -4.95 118.68 110.71 3hqw s LEU 464 Ca 0.08 1.92 0.12 0.00 -1.03 0.00 0.00 54.13 55.21 3hqw s LEU 464 Cb 0.11 -3.60 0.95 0.00 0.03 0.00 0.00 46.19 43.68 3hqw s LEU 464 CO 0.48 -0.07 1.94 -0.26 0.23 0.00 0.00 176.35 178.67 3hqw h PHE 465 N 5.14 0.58 -0.40 0.29 0.04 -1.87 -2.51 116.94 118.20 3hqw h PHE 465 Ca -0.44 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.35 3hqw h PHE 465 Cb 1.21 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 39.17 3hqw h PHE 465 CO 0.63 0.25 0.00 -2.39 -0.60 0.00 0.00 178.31 176.21 3hqw n HIS 466 N -4.49 1.10 -1.62 -0.55 1.44 -1.26 -4.90 115.22 104.94 3hqw n HIS 466 Ca 0.13 -0.41 -0.45 0.00 -2.01 0.00 0.00 57.72 54.98 3hqw n HIS 466 Cb 0.41 -0.24 -0.02 0.00 0.12 0.00 0.00 29.99 30.26 3hqw n HIS 466 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 3hqw n PHE 467 N 0.56 1.61 -4.74 -1.40 7.35 -0.95 -4.64 117.46 115.24 3hqw n PHE 467 Ca 0.17 0.63 -0.33 0.00 -0.76 0.00 0.00 57.45 57.16 3hqw n PHE 467 Cb 0.70 -2.32 -0.13 0.00 0.35 0.00 0.00 39.48 38.09 3hqw n PHE 467 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 3hqw s ASP 468 N -0.32 4.27 0.00 -2.13 -1.08 -1.26 -5.04 116.67 111.11 3hqw s ASP 468 Ca 0.61 -0.18 0.30 0.00 -0.52 0.00 0.00 52.55 52.76 3hqw s ASP 468 Cb -0.69 -1.23 1.39 0.00 -1.46 0.00 0.00 42.92 40.93 3hqw s ASP 468 CO 0.58 0.28 1.95 2.30 0.52 0.00 0.00 175.17 180.80 3hqw n ILE 469 N 2.74 0.00 0.00 4.11 -5.35 -1.26 -5.02 119.36 114.58 3hqw n ILE 469 Ca -0.18 -0.05 0.00 0.00 -0.27 0.00 0.00 62.75 62.25 3hqw n ILE 469 Cb 0.53 -0.19 0.00 0.00 -1.74 0.00 0.00 39.64 38.24 3hqw n ILE 469 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hqw n GLY 470 N 1.22 -1.20 0.63 3.28 0.00 -1.26 -4.69 105.19 103.17 3hqw n GLY 470 Ca 0.17 -1.61 0.13 0.00 0.00 0.00 0.00 46.02 44.71 3hqw n GLY 470 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hqw n PRO 471 N -1.33 1.87 -2.96 1.61 -0.04 -1.26 -4.79 135.00 128.09 3hqw n PRO 471 Ca 0.00 -1.27 -0.44 0.00 -0.04 0.00 0.00 63.50 61.75 3hqw n PRO 471 Cb 0.00 -1.47 -0.04 0.00 -0.04 0.00 0.00 33.50 31.96 3hqw n PRO 471 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3hqw s PHE 472 N -1.96 2.91 0.27 0.54 0.08 -1.26 -4.92 117.98 113.64 3hqw s PHE 472 Ca 0.35 -0.91 -0.02 0.00 0.12 0.00 0.00 56.93 56.46 3hqw s PHE 472 Cb 0.20 -4.20 0.42 0.00 -0.57 0.00 0.00 43.02 38.87 3hqw s PHE 472 CO 0.32 -1.49 1.89 0.93 -0.10 0.00 0.00 175.22 176.77 3hqw h GLU 473 N 9.23 1.14 0.00 0.44 5.08 -1.95 -1.49 114.58 127.03 3hqw h GLU 473 Ca -0.17 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 3hqw h GLU 473 Cb 1.06 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 30.06 3hqw h GLU 473 CO 1.13 0.75 0.00 0.27 -1.00 0.00 0.00 179.01 180.16 3hqw n ASN 474 N -4.48 0.00 0.07 1.42 6.94 -1.26 -1.70 115.26 116.25 3hqw n ASN 474 Ca 0.15 0.12 0.12 0.00 -0.02 0.00 0.00 54.58 54.94 3hqw n ASN 474 Cb 0.16 -0.31 0.08 0.00 -2.36 0.00 0.00 39.78 37.35 3hqw n ASN 474 CO 0.00 0.00 0.00 0.24 -1.03 0.00 0.00 177.26 176.47 3hqw h MET 475 N 0.00 0.00 -0.43 -3.83 2.86 -1.68 -3.41 114.93 108.45 3hqw h MET 475 Ca 0.00 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.53 3hqw h MET 475 Cb 0.16 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 3hqw h MET 475 CO 0.00 0.00 -0.17 -1.49 1.06 0.00 0.00 176.91 176.31 3hqw h TRP 476 N 0.00 1.00 -0.58 -0.22 6.55 -1.41 -2.04 115.95 119.25 3hqw h TRP 476 Ca 0.00 -0.24 0.08 0.00 0.95 0.00 0.00 58.89 59.68 3hqw h TRP 476 Cb 0.85 -0.23 -0.06 0.00 -0.86 0.00 0.00 29.16 28.85 3hqw h TRP 476 CO 0.00 1.01 0.25 -1.35 -1.05 0.00 0.00 178.44 177.30 3hqw h PRO 477 N 0.70 0.45 -0.25 0.49 0.11 -1.79 -0.49 132.00 131.22 3hqw h PRO 477 Ca 0.10 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 66.11 3hqw h PRO 477 Cb 0.73 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.72 3hqw h PRO 477 CO 0.06 0.29 -0.15 0.78 -0.21 0.00 0.00 178.00 178.77 3hqw h GLY 478 N 0.46 0.46 1.00 -0.55 0.00 -1.78 -0.16 103.07 102.50 3hqw h GLY 478 Ca 0.28 -0.32 -0.04 0.00 0.00 0.00 0.00 47.33 47.26 3hqw h GLY 478 CO -0.25 0.29 0.23 -2.22 0.00 0.00 0.00 176.54 174.59 3hqw h ILE 479 N 0.39 1.23 -0.33 2.60 2.04 -0.62 -0.80 117.51 122.02 3hqw h ILE 479 Ca 0.07 -0.74 -0.07 0.00 1.00 0.00 0.00 64.86 65.13 3hqw h ILE 479 Cb 0.49 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 3hqw h ILE 479 CO 0.03 0.29 -0.05 0.15 0.00 0.00 0.00 178.15 178.56 3hqw h PHE 480 N 0.83 0.69 -0.74 1.37 3.57 -0.51 -2.07 116.94 120.08 3hqw h PHE 480 Ca 0.20 -0.14 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 3hqw h PHE 480 Cb 0.22 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.75 3hqw h PHE 480 CO 0.01 0.77 0.46 0.28 -2.23 0.00 0.00 178.31 177.60 3hqw h VAL 481 N 0.41 1.21 -0.43 1.41 2.07 -0.93 -0.02 116.25 119.96 3hqw h VAL 481 Ca 0.09 -0.43 0.04 0.00 0.82 0.00 0.00 66.70 67.22 3hqw h VAL 481 Cb 0.53 0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 30.42 3hqw h VAL 481 CO 0.03 0.21 0.18 0.22 0.02 0.00 0.00 177.57 178.23 3hqw h TYR 482 N 1.01 0.33 -0.54 1.57 3.20 -0.99 0.23 116.97 121.78 3hqw h TYR 482 Ca 0.27 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.09 3hqw h TYR 482 Cb -0.05 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.11 3hqw h TYR 482 CO -0.01 0.15 0.09 0.52 -1.64 0.00 0.00 178.16 177.26 3hqw h MET 483 N 0.37 0.90 -0.41 1.82 2.86 -0.84 -0.89 114.93 118.73 3hqw h MET 483 Ca 0.19 -0.24 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 3hqw h MET 483 Cb 0.15 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 3hqw h MET 483 CO -0.17 0.87 0.27 0.82 1.06 0.00 0.00 176.91 179.77 3hqw h ILE 484 N 0.79 1.11 -0.30 -1.22 1.08 -0.62 -1.31 117.51 117.03 3hqw h ILE 484 Ca 0.16 -0.19 -0.11 0.00 -0.39 0.00 0.00 64.86 64.33 3hqw h ILE 484 Cb 0.41 0.50 -0.01 0.00 -3.07 0.00 0.00 36.82 34.65 3hqw h ILE 484 CO 0.01 0.10 -0.28 0.45 -0.69 0.00 0.00 178.15 177.74 3hqw h HIS 485 N 0.56 0.69 -0.19 1.37 3.86 -0.72 0.30 115.15 121.01 3hqw h HIS 485 Ca 0.15 -0.17 -0.16 0.00 -1.16 0.00 0.00 60.37 59.04 3hqw h HIS 485 Cb -0.06 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.24 3hqw h HIS 485 CO -0.05 0.83 -0.53 0.00 0.86 0.00 0.00 177.93 179.04 3hqw h ARG 486 N 0.52 0.56 0.13 2.45 2.47 -1.04 -0.76 114.38 118.72 3hqw h ARG 486 Ca 0.07 -0.35 -0.32 0.00 -1.26 0.00 0.00 59.98 58.12 3hqw h ARG 486 Cb 0.76 0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 29.11 3hqw h ARG 486 CO 0.06 0.95 -1.64 1.03 0.56 0.00 0.00 179.97 180.93 3hqw h SER 487 N 0.44 0.44 -0.00 7.04 0.87 -1.06 -3.41 113.55 117.87 3hqw h SER 487 Ca 0.01 -0.66 0.00 0.00 -1.23 0.00 0.00 61.79 59.92 3hqw h SER 487 Cb 1.07 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.89 3hqw h SER 487 CO 0.10 1.55 -0.15 0.00 -0.53 0.00 0.00 176.83 177.81 3hqw n GLY 489 N 1.04 0.59 0.07 0.00 0.00 -0.29 -4.72 105.19 101.87 3hqw n GLY 489 Ca 0.01 -1.72 -0.08 0.00 0.00 0.00 0.00 46.02 44.23 3hqw n GLY 489 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3hqw h THR 490 N 0.00 1.66 -0.77 2.61 1.35 -1.90 -3.36 112.91 112.50 3hqw h THR 490 Ca 0.00 -3.36 -0.42 0.00 -0.55 0.00 0.00 66.41 62.08 3hqw h THR 490 Cb 0.00 2.84 -0.23 0.00 -1.73 0.00 0.00 68.15 69.03 3hqw h THR 490 CO 0.00 0.95 0.53 -1.54 -0.25 0.00 0.00 175.52 175.22 3hqw n SER 491 N -3.36 4.20 0.00 5.36 3.41 -1.26 -4.04 113.62 117.93 3hqw n SER 491 Ca -0.02 -3.27 0.00 0.00 -0.26 0.00 0.00 58.87 55.32 3hqw n SER 491 Cb 0.95 -0.80 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 3hqw n SER 491 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hqw s PHE 493 N -1.12 1.75 0.03 0.00 0.40 -1.26 -5.01 117.98 112.77 3hqw s PHE 493 Ca 0.00 -0.50 -0.30 0.00 -0.60 0.00 0.00 56.93 55.52 3hqw s PHE 493 Cb 0.00 -1.17 -0.08 0.00 0.51 0.00 0.00 43.02 42.28 3hqw s PHE 493 CO 0.00 -0.17 1.74 -2.00 0.70 0.00 0.00 175.22 175.49 3hqw s GLU 494 N 0.03 4.18 0.17 0.44 2.12 -1.26 -4.92 118.70 119.45 3hqw s GLU 494 Ca -0.04 2.37 -0.14 0.00 0.36 0.00 0.00 54.97 57.53 3hqw s GLU 494 Cb -0.12 -3.84 0.06 0.00 0.26 0.00 0.00 34.13 30.49 3hqw s GLU 494 CO 0.02 -0.83 1.77 1.25 -0.54 0.00 0.00 175.26 176.93 3hqw h LEU 495 N 9.54 0.68 -0.85 2.70 5.85 -1.99 -1.16 115.31 130.08 3hqw h LEU 495 Ca -0.43 -0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.13 3hqw h LEU 495 Cb 1.20 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 42.03 3hqw h LEU 495 CO 0.94 0.59 0.27 -0.08 -0.34 0.00 0.00 178.44 179.82 3hqw h GLU 496 N 0.72 1.12 -0.34 1.25 4.81 -1.99 -0.83 114.58 119.32 3hqw h GLU 496 Ca 0.19 -0.21 -0.11 0.00 -0.13 0.00 0.00 59.36 59.10 3hqw h GLU 496 Cb 0.07 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 3hqw h GLU 496 CO -0.03 0.93 -0.21 -0.22 -0.73 0.00 0.00 179.01 178.75 3hqw h LYS 497 N 1.09 0.74 -0.71 1.92 3.64 -1.75 -1.37 116.57 120.13 3hqw h LYS 497 Ca 0.25 -0.35 -0.00 0.00 -1.27 0.00 0.00 60.65 59.28 3hqw h LYS 497 Cb 0.24 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.02 3hqw h LYS 497 CO -0.02 0.96 0.44 1.25 -2.27 0.00 0.00 179.45 179.81 3hqw h LEU 498 N 0.52 0.85 -0.56 5.20 5.85 -0.92 -0.84 115.31 125.41 3hqw h LEU 498 Ca 0.07 -0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.65 3hqw h LEU 498 Cb 0.76 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 3hqw h LEU 498 CO 0.06 0.66 0.02 0.00 -0.34 0.00 0.00 178.44 178.83 3hqw h ARG 500 N 0.87 0.80 0.01 0.00 2.43 -1.00 -1.71 114.38 115.78 3hqw h ARG 500 Ca 0.16 -0.13 -0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3hqw h ARG 500 Cb 0.52 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 3hqw h ARG 500 CO 0.03 0.67 -0.01 0.35 -1.51 0.00 0.00 179.97 179.50 3hqw h PHE 501 N 0.75 -0.02 -0.63 2.20 3.57 -0.82 -2.00 116.94 120.00 3hqw h PHE 501 Ca 0.19 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.73 3hqw h PHE 501 Cb 0.15 0.01 -0.05 0.00 2.79 0.00 0.00 35.95 38.84 3hqw h PHE 501 CO 0.00 0.02 0.36 0.82 -2.23 0.00 0.00 178.31 177.28 3hqw h ILE 502 N -0.05 1.00 -0.17 1.41 2.04 -0.88 -0.64 117.51 120.22 3hqw h ILE 502 Ca -0.00 -0.23 -0.09 0.00 1.00 0.00 0.00 64.86 65.53 3hqw h ILE 502 Cb 0.05 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 36.37 3hqw h ILE 502 CO 0.00 0.12 -0.31 0.24 0.00 0.00 0.00 178.15 178.21 3hqw h MET 503 N 0.68 0.33 -0.09 2.37 2.86 -1.18 -0.92 114.93 118.98 3hqw h MET 503 Ca 0.27 -0.13 -0.17 0.00 -2.06 0.00 0.00 59.70 57.62 3hqw h MET 503 Cb 0.13 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 3hqw h MET 503 CO -0.15 0.61 -0.67 0.77 1.06 0.00 0.00 176.91 178.53 3hqw h SER 504 N 0.29 0.43 -0.10 1.22 0.02 -0.84 -2.10 113.55 112.46 3hqw h SER 504 Ca 0.04 -0.26 -0.01 0.00 -0.84 0.00 0.00 61.79 60.72 3hqw h SER 504 Cb 0.69 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 63.10 3hqw h SER 504 CO 0.05 0.97 0.04 0.58 -1.14 0.00 0.00 176.83 177.34 3hqw h VAL 505 N 0.26 1.14 -0.57 2.27 2.07 -0.72 -2.58 116.25 118.12 3hqw h VAL 505 Ca -0.02 -0.42 0.10 0.00 0.82 0.00 0.00 66.70 67.18 3hqw h VAL 505 Cb 1.22 1.23 -0.08 0.00 -1.52 0.00 0.00 31.29 32.14 3hqw h VAL 505 CO 0.11 0.12 0.16 0.50 0.02 0.00 0.00 177.57 178.48 3hqw h LYS 506 N 0.01 0.30 0.00 1.57 3.64 -1.15 -1.68 116.57 119.25 3hqw h LYS 506 Ca 0.03 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 3hqw h LYS 506 Cb 0.16 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 31.91 3hqw h LYS 506 CO -0.00 0.20 -0.05 -0.22 -2.27 0.00 0.00 179.45 177.11 3hqw h LYS 507 N 0.31 0.00 -0.01 1.90 3.64 -1.18 -2.41 116.57 118.82 3hqw h LYS 507 Ca 0.29 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 3hqw h LYS 507 Cb 0.40 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 3hqw h LYS 507 CO -0.34 0.05 -0.19 0.09 -2.27 0.00 0.00 179.45 176.79 3hqw n ASN 508 N -4.46 1.12 -4.84 4.20 4.13 -0.66 -4.81 115.26 109.94 3hqw n ASN 508 Ca -0.03 -1.03 -0.32 0.00 1.68 0.00 0.00 54.58 54.88 3hqw n ASN 508 Cb 0.13 0.09 -0.06 0.00 -1.54 0.00 0.00 39.78 38.40 3hqw n ASN 508 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 3hqw s TYR 509 N -2.38 3.36 0.30 3.10 2.02 -0.91 -1.97 117.35 120.88 3hqw s TYR 509 Ca 0.28 1.38 0.07 0.00 -0.37 0.00 0.00 57.07 58.43 3hqw s TYR 509 Cb 0.20 -2.67 -0.03 0.00 -0.40 0.00 0.00 41.96 39.05 3hqw s TYR 509 CO 0.47 -0.05 0.29 1.03 -1.57 0.00 0.00 175.55 175.72 3hqw s ARG 510 N -3.24 2.88 -1.32 -0.62 0.52 -1.26 -4.93 118.95 110.98 3hqw s ARG 510 Ca 0.57 -1.15 -0.09 0.00 -0.52 0.00 0.00 55.73 54.54 3hqw s ARG 510 Cb -0.10 -2.57 0.13 0.00 0.52 0.00 0.00 34.95 32.93 3hqw s ARG 510 CO 0.18 0.21 2.04 0.54 0.02 0.00 0.00 175.30 178.30 3hqw n ARG 511 N -1.34 3.69 -3.90 3.54 1.74 -1.26 -4.56 116.66 114.56 3hqw n ARG 511 Ca -0.04 -3.35 -0.21 0.00 -0.77 0.00 0.00 57.85 53.48 3hqw n ARG 511 Cb 0.59 -2.92 -0.03 0.00 -1.02 0.00 0.00 32.46 29.08 3hqw n ARG 511 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3hqw s VAL 512 N 0.55 4.15 0.29 1.55 -7.23 -1.26 -5.05 120.40 113.39 3hqw s VAL 512 Ca 0.44 -1.29 -0.01 0.00 -1.81 0.00 0.00 61.98 59.31 3hqw s VAL 512 Cb 0.12 -3.37 0.19 0.00 0.56 0.00 0.00 36.38 33.88 3hqw s VAL 512 CO -0.02 -0.26 1.88 -0.65 -0.31 0.00 0.00 175.10 175.74 3hqw h PRO 513 N 1.28 0.90 0.00 4.82 0.11 -1.91 -3.42 132.00 133.78 3hqw h PRO 513 Ca -0.47 -0.13 0.00 0.00 0.11 0.00 0.00 66.00 65.51 3hqw h PRO 513 Cb 1.25 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3hqw h PRO 513 CO 0.59 0.72 -0.66 0.98 -0.21 0.00 0.00 178.00 179.42 3hqw n TYR 514 N -4.33 -0.07 -1.68 0.65 9.36 -1.26 -4.83 117.16 115.00 3hqw n TYR 514 Ca 0.05 0.01 -0.40 0.00 3.32 0.00 0.00 57.90 60.89 3hqw n TYR 514 Cb 0.15 0.14 -0.02 0.00 -0.63 0.00 0.00 39.34 38.99 3hqw n TYR 514 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 3hqw n HIS 515 N -2.93 2.64 -4.36 2.98 8.25 -1.26 -4.38 115.22 116.16 3hqw n HIS 515 Ca 0.00 -2.96 -0.16 0.00 -0.26 0.00 0.00 57.72 54.33 3hqw n HIS 515 Cb 0.33 -2.23 -0.03 0.00 1.12 0.00 0.00 29.99 29.18 3hqw n HIS 515 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3hqw n ASN 516 N 3.22 2.69 -0.32 0.41 0.23 -1.26 -4.66 115.26 115.56 3hqw n ASN 516 Ca 0.67 -2.12 0.02 0.00 -0.53 0.00 0.00 54.58 52.62 3hqw n ASN 516 Cb 0.26 0.17 0.20 0.00 -2.08 0.00 0.00 39.78 38.34 3hqw n ASN 516 CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 3hqw h TRP 517 N 1.11 1.11 -0.90 -2.53 -0.00 -1.89 -1.86 115.95 111.00 3hqw h TRP 517 Ca -0.21 0.03 0.00 0.00 -0.00 0.00 0.00 58.89 58.71 3hqw h TRP 517 Cb 0.64 -0.37 -0.04 0.00 -0.00 0.00 0.00 29.16 29.39 3hqw h TRP 517 CO 0.00 0.62 0.56 -0.22 -0.00 0.00 0.00 178.44 179.41 3hqw h LYS 518 N 1.13 1.20 -0.66 2.65 3.64 -1.96 -2.36 116.57 120.21 3hqw h LYS 518 Ca 0.38 -0.09 -0.03 0.00 -1.27 0.00 0.00 60.65 59.63 3hqw h LYS 518 Cb 0.07 -0.26 -0.03 0.00 -0.41 0.00 0.00 32.23 31.60 3hqw h LYS 518 CO -0.13 0.82 0.28 1.25 -2.27 0.00 0.00 179.45 179.41 3hqw h HIS 519 N 1.23 0.99 -0.35 1.91 2.76 -1.56 -1.33 115.15 118.79 3hqw h HIS 519 Ca 0.32 -0.07 0.03 0.00 -2.20 0.00 0.00 60.37 58.45 3hqw h HIS 519 Cb -0.09 -0.30 -0.03 0.00 1.55 0.00 0.00 27.41 28.54 3hqw h HIS 519 CO -0.00 0.76 0.17 0.00 -1.30 0.00 0.00 177.93 177.56 3hqw h ALA 520 N 1.12 0.43 -0.06 5.26 0.00 -0.94 0.09 119.26 125.16 3hqw h ALA 520 Ca 0.22 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 55.00 3hqw h ALA 520 Cb 0.18 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3hqw h ALA 520 CO -0.02 -0.20 -0.62 0.28 0.00 0.00 0.00 179.25 178.68 3hqw h VAL 521 N 0.36 1.39 -0.42 0.00 2.07 -1.32 -1.66 116.25 116.66 3hqw h VAL 521 Ca 0.15 -2.03 -0.05 0.00 0.82 0.00 0.00 66.70 65.59 3hqw h VAL 521 Cb 0.06 2.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.85 3hqw h VAL 521 CO -0.10 0.60 0.07 0.74 0.02 0.00 0.00 177.57 178.90 3hqw h THR 522 N 0.17 1.24 -0.43 2.57 2.02 -0.80 0.13 112.91 117.81 3hqw h THR 522 Ca -0.01 -0.87 -0.06 0.00 0.77 0.00 0.00 66.41 66.25 3hqw h THR 522 Cb 1.14 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 68.53 3hqw h THR 522 CO 0.10 0.30 0.04 0.58 0.37 0.00 0.00 175.52 176.91 3hqw h VAL 523 N 0.55 1.25 -0.91 3.16 2.07 -0.88 -1.90 116.25 119.59 3hqw h VAL 523 Ca 0.13 -0.94 0.06 0.00 0.82 0.00 0.00 66.70 66.77 3hqw h VAL 523 Cb 0.37 1.03 -0.06 0.00 -1.52 0.00 0.00 31.29 31.10 3hqw h VAL 523 CO 0.01 0.32 0.58 0.00 0.02 0.00 0.00 177.57 178.50 3hqw h ALA 524 N 0.92 1.25 -0.75 1.67 0.00 -1.12 -2.10 119.26 119.13 3hqw h ALA 524 Ca 0.13 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3hqw h ALA 524 Cb 0.42 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3hqw h ALA 524 CO 0.01 0.37 0.35 1.25 0.00 0.00 0.00 179.25 181.23 3hqw h HIS 525 N 1.07 1.09 -0.89 0.00 6.17 -0.58 0.13 115.15 122.15 3hqw h HIS 525 Ca 0.39 -0.06 0.01 0.00 0.71 0.00 0.00 60.37 61.42 3hqw h HIS 525 Cb 0.13 -0.34 -0.05 0.00 2.52 0.00 0.00 27.41 29.68 3hqw h HIS 525 CO -0.02 0.81 0.59 0.00 0.71 0.00 0.00 177.93 180.02 3hqw h MET 527 N 1.19 0.71 -0.52 0.00 -1.53 -0.90 -0.83 114.93 113.06 3hqw h MET 527 Ca 0.33 -0.15 0.09 0.00 -3.44 0.00 0.00 59.70 56.53 3hqw h MET 527 Cb -0.12 -0.10 -0.07 0.00 -0.55 0.00 0.00 31.60 30.75 3hqw h MET 527 CO -0.08 0.68 0.10 -0.92 0.14 0.00 0.00 176.91 176.83 3hqw h TYR 528 N 0.61 0.15 -0.58 1.39 3.20 -0.31 -0.13 116.97 121.29 3hqw h TYR 528 Ca 0.15 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 62.01 3hqw h TYR 528 Cb 0.26 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.51 3hqw h TYR 528 CO 0.01 -0.02 0.19 0.00 -1.64 0.00 0.00 178.16 176.70 3hqw h ALA 529 N 1.41 0.76 -0.20 1.82 0.00 -0.69 0.69 119.26 123.06 3hqw h ALA 529 Ca 0.26 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3hqw h ALA 529 Cb 0.36 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3hqw h ALA 529 CO -0.35 0.42 0.13 0.82 0.00 0.00 0.00 179.25 180.27 3hqw h ILE 530 N 0.82 1.06 -0.57 0.00 2.04 -0.76 -2.49 117.51 117.60 3hqw h ILE 530 Ca 0.19 -0.13 -0.09 0.00 1.00 0.00 0.00 64.86 65.83 3hqw h ILE 530 Cb 0.27 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 3hqw h ILE 530 CO -0.01 0.06 0.01 -0.07 0.00 0.00 0.00 178.15 178.15 3hqw h LEU 531 N 0.26 0.98 -1.56 1.44 3.38 -0.77 -2.36 115.31 116.68 3hqw h LEU 531 Ca 0.07 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.71 3hqw h LEU 531 Cb -0.01 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 3hqw h LEU 531 CO -0.01 1.04 -0.11 1.56 0.09 0.00 0.00 178.44 181.00 3hqw h GLN 532 N 0.89 0.14 -0.27 1.13 1.08 -0.76 -2.53 115.11 114.80 3hqw h GLN 532 Ca 0.16 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.34 3hqw h GLN 532 Cb 0.53 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.94 3hqw h GLN 532 CO 0.03 0.26 0.00 0.09 -0.95 0.00 0.00 178.83 178.26 3hqw n ASN 533 N -4.33 2.84 -2.90 1.46 3.02 -0.95 -4.24 115.26 110.16 3hqw n ASN 533 Ca -0.01 -1.90 -0.20 0.00 -0.03 0.00 0.00 54.58 52.44 3hqw n ASN 533 Cb 0.23 -0.17 -0.01 0.00 -0.61 0.00 0.00 39.78 39.21 3hqw n ASN 533 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3hqw n ASN 534 N 1.11 2.48 -4.78 6.41 3.02 -0.91 -4.71 115.26 117.88 3hqw n ASN 534 Ca 0.18 -3.22 -0.41 0.00 -0.03 0.00 0.00 54.58 51.10 3hqw n ASN 534 Cb 0.52 -0.56 0.00 0.00 -0.61 0.00 0.00 39.78 39.13 3hqw n ASN 534 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3hqw s ASN 535 N -3.02 6.29 0.00 6.41 2.47 -1.23 -2.99 114.94 122.87 3hqw s ASN 535 Ca 0.41 3.00 0.00 0.00 0.42 0.00 0.00 52.86 56.68 3hqw s ASN 535 Cb 0.36 -2.66 0.00 0.00 -1.45 0.00 0.00 41.25 37.50 3hqw s ASN 535 CO -0.09 -0.90 0.00 0.61 -3.72 0.00 0.00 177.10 173.00 3hqw n GLY 536 N 0.50 1.26 0.11 1.21 0.00 -1.26 -4.91 105.19 102.11 3hqw n GLY 536 Ca 0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.83 3hqw n GLY 536 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hqw h LEU 537 N 0.00 0.11 -9.67 0.99 3.38 -1.92 -3.47 115.31 104.72 3hqw h LEU 537 Ca 0.00 -0.67 -0.66 0.00 0.09 0.00 0.00 57.88 56.64 3hqw h LEU 537 Cb 0.00 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 40.64 3hqw h LEU 537 CO 0.00 1.51 -0.51 -0.36 0.09 0.00 0.00 178.44 179.17 3hqw s PHE 538 N -2.39 3.51 0.86 1.13 0.08 -1.26 -5.10 117.98 114.81 3hqw s PHE 538 Ca -0.26 0.40 -0.12 0.00 0.12 0.00 0.00 56.93 57.07 3hqw s PHE 538 Cb 0.05 -1.86 0.11 0.00 -0.57 0.00 0.00 43.02 40.75 3hqw s PHE 538 CO 0.65 0.66 1.10 0.95 -0.10 0.00 0.00 175.22 178.48 3hqw s THR 539 N -1.16 2.68 0.24 0.64 -4.23 -1.26 -4.80 115.64 107.75 3hqw s THR 539 Ca 0.21 0.22 -0.06 0.00 -1.18 0.00 0.00 61.69 60.88 3hqw s THR 539 Cb -0.12 -2.87 0.21 0.00 1.34 0.00 0.00 72.50 71.05 3hqw s THR 539 CO 0.11 -0.29 1.85 0.44 -0.54 0.00 0.00 174.62 176.19 3hqw h ASP 540 N -1.36 0.81 -0.40 3.99 3.32 -1.99 -1.16 116.42 119.64 3hqw h ASP 540 Ca -0.49 0.02 -0.08 0.00 0.02 0.00 0.00 57.03 56.50 3hqw h ASP 540 Cb 1.29 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.67 3hqw h ASP 540 CO 0.58 0.52 -0.05 -0.07 -1.72 0.00 0.00 179.24 178.50 3hqw h LEU 541 N 0.94 0.73 -0.57 1.55 3.38 -1.99 -1.81 115.31 117.54 3hqw h LEU 541 Ca 0.37 -0.34 0.02 0.00 0.09 0.00 0.00 57.88 58.02 3hqw h LEU 541 Cb 0.17 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 3hqw h LEU 541 CO -0.17 0.89 0.35 -0.33 0.09 0.00 0.00 178.44 179.27 3hqw h GLU 542 N 0.55 0.68 -0.28 1.13 5.08 -1.79 0.57 114.58 120.52 3hqw h GLU 542 Ca 0.11 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 3hqw h GLU 542 Cb 0.55 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 3hqw h GLU 542 CO 0.03 0.45 0.05 0.00 -1.00 0.00 0.00 179.01 178.53 3hqw h ARG 543 N 0.70 0.46 -0.05 2.33 3.08 -1.07 0.14 114.38 119.96 3hqw h ARG 543 Ca 0.23 -0.12 0.02 0.00 0.07 0.00 0.00 59.98 60.17 3hqw h ARG 543 Cb 0.01 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 3hqw h ARG 543 CO -0.09 0.57 -0.05 0.87 -1.07 0.00 0.00 179.97 180.19 3hqw h LYS 544 N 0.27 -0.07 -0.57 0.04 1.57 -1.25 -2.07 116.57 114.49 3hqw h LYS 544 Ca 0.08 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.90 3hqw h LYS 544 Cb 0.33 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.62 3hqw h LYS 544 CO 0.00 -0.04 0.34 0.78 -0.57 0.00 0.00 179.45 179.96 3hqw h GLY 545 N -0.07 0.82 1.03 3.86 0.00 -0.64 -1.60 103.07 106.47 3hqw h GLY 545 Ca 0.04 -0.25 -0.11 0.00 0.00 0.00 0.00 47.33 47.00 3hqw h GLY 545 CO -0.09 0.20 -0.18 1.41 0.00 0.00 0.00 176.54 177.88 3hqw h LEU 546 N 0.67 0.88 -0.52 3.11 3.38 -0.67 0.15 115.31 122.31 3hqw h LEU 546 Ca 0.23 -0.40 -0.09 0.00 0.09 0.00 0.00 57.88 57.72 3hqw h LEU 546 Cb 0.05 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 3hqw h LEU 546 CO -0.11 1.08 -0.03 -0.07 0.09 0.00 0.00 178.44 179.40 3hqw h LEU 547 N 0.68 0.92 -0.43 1.67 3.38 -1.18 -0.78 115.31 119.57 3hqw h LEU 547 Ca 0.10 -0.32 -0.04 0.00 0.09 0.00 0.00 57.88 57.70 3hqw h LEU 547 Cb 0.74 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 3hqw h LEU 547 CO 0.06 1.02 0.11 0.40 0.09 0.00 0.00 178.44 180.12 3hqw h ILE 548 N 0.80 1.23 -0.70 1.22 1.08 -1.22 -2.13 117.51 117.79 3hqw h ILE 548 Ca 0.14 -0.79 0.07 0.00 -0.39 0.00 0.00 64.86 63.89 3hqw h ILE 548 Cb 0.57 0.93 -0.06 0.00 -3.07 0.00 0.00 36.82 35.19 3hqw h ILE 548 CO 0.03 0.28 0.39 0.00 -0.69 0.00 0.00 178.15 178.16 3hqw h ALA 549 N 0.96 0.96 -0.58 1.87 0.00 -0.49 -1.17 119.26 120.81 3hqw h ALA 549 Ca 0.13 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3hqw h ALA 549 Cb 0.31 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3hqw h ALA 549 CO 0.00 0.05 0.21 0.00 0.00 0.00 0.00 179.25 179.51 3hqw h LEU 551 N 0.81 0.71 -0.96 0.00 5.85 -0.84 -3.13 115.31 117.75 3hqw h LEU 551 Ca 0.19 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.84 3hqw h LEU 551 Cb 0.24 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.09 3hqw h LEU 551 CO -0.01 0.61 -0.38 0.00 -0.34 0.00 0.00 178.44 178.31 3hqw h HIS 553 N 2.35 0.00 0.00 0.00 2.07 -0.99 -2.30 115.15 116.28 3hqw h HIS 553 Ca 0.00 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3hqw h HIS 553 Cb 0.72 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.69 3hqw h HIS 553 CO 0.00 0.00 -0.18 -0.25 -3.07 0.00 0.00 177.93 174.43 3hqw n ASP 554 N -2.52 2.00 -4.65 3.10 8.00 -1.26 -4.85 116.55 116.38 3hqw n ASP 554 Ca 0.01 -3.19 -0.51 0.00 0.71 0.00 0.00 54.79 51.81 3hqw n ASP 554 Cb 0.25 -0.44 -0.06 0.00 -0.02 0.00 0.00 41.12 40.85 3hqw n ASP 554 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3hqw n LEU 555 N -1.22 2.46 -0.98 0.64 4.77 -0.87 -1.74 117.00 120.06 3hqw n LEU 555 Ca 0.15 1.08 -0.11 0.00 -0.03 0.00 0.00 56.01 57.10 3hqw n LEU 555 Cb 0.67 -1.27 -0.03 0.00 -2.33 0.00 0.00 43.42 40.46 3hqw n LEU 555 CO -0.00 -0.56 -0.12 -0.67 -1.33 0.00 0.00 177.39 174.71 3hqw n ASP 556 N 4.05 -4.07 -4.73 -1.43 2.03 -0.83 -4.41 116.55 107.16 3hqw n ASP 556 Ca 0.21 0.17 -0.42 0.00 0.52 0.00 0.00 54.79 55.27 3hqw n ASP 556 Cb 0.22 -2.80 -0.03 0.00 -0.72 0.00 0.00 41.12 37.79 3hqw n ASP 556 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 3hqw s HIS 557 N -2.46 3.11 -2.50 -0.67 2.46 -0.71 -4.92 115.29 109.61 3hqw s HIS 557 Ca 0.00 0.91 0.24 0.00 0.47 0.00 0.00 55.06 56.69 3hqw s HIS 557 Cb 0.00 -3.79 0.30 0.00 -0.13 0.00 0.00 32.58 28.95 3hqw s HIS 557 CO 0.00 -2.73 1.30 0.54 -2.47 0.00 0.00 174.74 171.38 3hqw n ARG 558 N 3.24 1.73 -0.46 2.88 1.74 -1.26 -4.49 116.66 120.03 3hqw n ARG 558 Ca 0.10 -1.36 0.00 0.00 -0.77 0.00 0.00 57.85 55.82 3hqw n ARG 558 Cb 0.40 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.37 3hqw n ARG 558 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hqw n GLY 559 N 1.35 0.73 3.23 -0.13 0.00 -1.26 -5.00 105.19 104.11 3hqw n GLY 559 Ca 0.13 -0.34 -0.24 0.00 0.00 0.00 0.00 46.02 45.57 3hqw n GLY 559 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hqw s PHE 560 N -2.00 1.65 0.86 1.61 0.08 -1.26 -4.72 117.98 114.20 3hqw s PHE 560 Ca 0.00 -0.38 -0.12 0.00 0.12 0.00 0.00 56.93 56.55 3hqw s PHE 560 Cb 0.00 -0.96 0.11 0.00 -0.57 0.00 0.00 43.02 41.59 3hqw s PHE 560 CO 0.00 0.10 1.10 -1.54 -0.10 0.00 0.00 175.22 174.77 3hqw s SER 561 N -1.32 3.87 0.36 1.36 1.04 -1.26 -4.91 113.70 112.84 3hqw s SER 561 Ca 0.06 1.36 0.04 0.00 0.48 0.00 0.00 55.95 57.89 3hqw s SER 561 Cb -0.09 -2.06 0.70 0.00 0.10 0.00 0.00 66.02 64.68 3hqw s SER 561 CO 0.02 -2.37 2.01 0.78 0.98 0.00 0.00 173.24 174.66 3hqw h ASN 562 N -1.36 0.67 -0.41 7.02 2.35 -2.01 -2.24 115.58 119.59 3hqw h ASN 562 Ca -0.49 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.24 3hqw h ASN 562 Cb 1.28 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 39.47 3hqw h ASN 562 CO 0.57 0.47 0.20 -1.28 -1.65 0.00 0.00 177.43 175.74 3hqw h SER 563 N 0.78 0.54 -0.47 5.81 0.87 -1.99 -1.19 113.55 117.90 3hqw h SER 563 Ca 0.24 -0.13 -0.02 0.00 -1.23 0.00 0.00 61.79 60.65 3hqw h SER 563 Cb 0.00 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 61.80 3hqw h SER 563 CO -0.06 0.52 0.22 0.22 -0.53 0.00 0.00 176.83 177.20 3hqw h TYR 564 N 0.53 0.68 -0.92 2.24 3.20 -1.86 -1.21 116.97 119.63 3hqw h TYR 564 Ca 0.14 -0.03 0.07 0.00 3.14 0.00 0.00 58.73 62.05 3hqw h TYR 564 Cb 0.12 -0.21 -0.07 0.00 1.54 0.00 0.00 36.73 38.12 3hqw h TYR 564 CO -0.01 0.54 0.57 -0.07 -1.64 0.00 0.00 178.16 177.56 3hqw h LEU 565 N 0.61 0.89 -0.29 2.82 3.38 -1.08 0.54 115.31 122.19 3hqw h LEU 565 Ca 0.16 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 3hqw h LEU 565 Cb 0.12 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3hqw h LEU 565 CO -0.02 0.55 0.06 -0.61 0.09 0.00 0.00 178.44 178.51 3hqw h GLN 566 N 1.02 0.46 -0.13 1.13 4.15 -0.83 -1.08 115.11 119.83 3hqw h GLN 566 Ca 0.41 -0.12 -0.11 0.00 0.77 0.00 0.00 58.65 59.60 3hqw h GLN 566 Cb 0.23 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.85 3hqw h GLN 566 CO -0.19 0.56 -0.40 0.87 -1.93 0.00 0.00 178.83 177.73 3hqw h LYS 567 N 0.29 0.30 0.00 1.69 1.79 -0.69 -2.14 116.57 117.81 3hqw h LYS 567 Ca 0.09 -0.14 -0.04 0.00 -2.18 0.00 0.00 60.65 58.38 3hqw h LYS 567 Cb 0.31 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.95 3hqw h LYS 567 CO 0.00 0.66 -0.19 0.35 -1.08 0.00 0.00 179.45 179.19 3hqw h PHE 568 N 0.25 0.00 -3.23 -1.35 3.57 -0.82 -3.47 116.94 111.89 3hqw h PHE 568 Ca 0.02 0.00 -0.22 0.00 3.53 0.00 0.00 57.97 61.30 3hqw h PHE 568 Cb 0.82 0.00 0.06 0.00 2.79 0.00 0.00 35.95 39.62 3hqw h PHE 568 CO 0.02 0.19 -0.36 -3.47 -2.23 0.00 0.00 178.31 172.46 3hqw n ASP 569 N -3.42 -4.28 -4.77 0.41 2.03 -0.78 -4.99 116.55 100.75 3hqw n ASP 569 Ca -0.00 -0.23 -0.39 0.00 0.52 0.00 0.00 54.79 54.68 3hqw n ASP 569 Cb 0.38 -3.00 0.01 0.00 -0.72 0.00 0.00 41.12 37.79 3hqw n ASP 569 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 3hqw s HIS 570 N -3.04 2.65 0.51 -0.67 5.65 -0.48 -4.90 115.29 115.01 3hqw s HIS 570 Ca 0.25 1.36 0.25 0.00 0.25 0.00 0.00 55.06 57.17 3hqw s HIS 570 Cb -0.11 -3.75 1.35 0.00 -1.18 0.00 0.00 32.58 28.88 3hqw s HIS 570 CO 0.31 -2.43 1.96 -1.35 -0.65 0.00 0.00 174.74 172.59 3hqw h PRO 571 N 2.41 0.08 -0.37 2.88 0.11 -1.94 -1.12 132.00 134.05 3hqw h PRO 571 Ca -0.50 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 3hqw h PRO 571 Cb 1.26 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 3hqw h PRO 571 CO 0.61 0.05 0.19 -0.07 -0.21 0.00 0.00 178.00 178.57 3hqw h LEU 572 N 0.08 0.45 -1.16 2.35 3.38 -1.94 -2.19 115.31 116.28 3hqw h LEU 572 Ca 0.31 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.21 3hqw h LEU 572 Cb 1.11 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 3hqw h LEU 572 CO -0.03 0.38 -0.19 0.00 0.09 0.00 0.00 178.44 178.70 3hqw h ALA 573 N 1.69 1.02 0.08 1.53 0.00 -1.40 0.40 119.26 122.59 3hqw h ALA 573 Ca 0.13 -0.17 -0.27 0.00 0.00 0.00 0.00 54.91 54.60 3hqw h ALA 573 Cb 0.04 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 17.82 3hqw h ALA 573 CO -0.02 0.23 -1.14 0.00 0.00 0.00 0.00 179.25 178.32 3hqw h ALA 574 N 1.81 0.13 -0.26 0.00 0.00 -1.43 -3.25 119.26 116.26 3hqw h ALA 574 Ca -0.00 -0.77 -0.14 0.00 0.00 0.00 0.00 54.91 54.00 3hqw h ALA 574 Cb 0.71 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 3hqw h ALA 574 CO 0.02 0.78 -0.39 1.25 0.00 0.00 0.00 179.25 180.91 3hqw h LEU 575 N 0.23 0.79 -7.06 0.00 5.85 -1.12 -3.40 115.31 110.61 3hqw h LEU 575 Ca -0.14 -0.52 -0.59 0.00 0.84 0.00 0.00 57.88 57.47 3hqw h LEU 575 Cb 1.81 -0.23 -0.40 0.00 0.37 0.00 0.00 40.66 42.22 3hqw h LEU 575 CO 0.21 1.16 -0.76 -0.31 -0.34 0.00 0.00 178.44 178.40 3hqw s TYR 576 N -4.19 1.77 0.27 1.25 2.02 0.10 -5.01 117.35 113.58 3hqw s TYR 576 Ca -0.12 -2.02 0.07 0.00 -0.37 0.00 0.00 57.07 54.63 3hqw s TYR 576 Cb 0.09 -1.74 0.38 0.00 -0.40 0.00 0.00 41.96 40.28 3hqw s TYR 576 CO 0.85 -0.84 1.64 0.66 -1.57 0.00 0.00 175.55 176.29 3hqw h SER 577 N 7.47 0.20 -3.99 2.29 4.64 -1.79 -3.37 113.55 119.01 3hqw h SER 577 Ca -0.07 -0.10 -0.69 0.00 -0.47 0.00 0.00 61.79 60.46 3hqw h SER 577 Cb 0.98 -0.06 -0.23 0.00 -0.31 0.00 0.00 62.40 62.78 3hqw h SER 577 CO 0.46 0.68 -0.86 0.42 -0.87 0.00 0.00 176.83 176.66 3hqw s THR 578 N -3.92 2.34 -1.42 2.95 -4.23 -1.26 -4.68 115.64 105.42 3hqw s THR 578 Ca -0.04 -1.60 -0.00 0.00 -1.18 0.00 0.00 61.69 58.87 3hqw s THR 578 Cb 0.13 -2.01 0.00 0.00 1.34 0.00 0.00 72.50 71.96 3hqw s THR 578 CO 0.78 0.17 0.38 -1.20 -0.54 0.00 0.00 174.62 174.21 3hqw n SER 579 N 1.15 -0.19 0.20 3.99 7.64 -1.26 -4.79 113.62 120.35 3hqw n SER 579 Ca -0.17 -1.03 -0.15 0.00 1.01 0.00 0.00 58.87 58.52 3hqw n SER 579 Cb 0.53 -2.92 -0.08 0.00 -1.01 0.00 0.00 64.21 60.73 3hqw n SER 579 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 3hqw h THR 580 N -1.83 0.22 -0.25 0.44 2.02 -1.83 -0.67 112.91 111.01 3hqw h THR 580 Ca -0.63 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 66.47 3hqw h THR 580 Cb 1.38 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 68.00 3hqw h THR 580 CO 0.63 0.00 -0.19 0.24 0.37 0.00 0.00 175.52 176.57 3hqw h MET 581 N -0.73 0.45 -0.23 6.66 2.86 -1.89 -2.12 114.93 119.93 3hqw h MET 581 Ca -0.01 -0.15 -0.17 0.00 -2.06 0.00 0.00 59.70 57.32 3hqw h MET 581 Cb 0.68 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.30 3hqw h MET 581 CO -0.11 0.63 -0.50 0.93 1.06 0.00 0.00 176.91 178.91 3hqw h GLU 582 N 0.41 0.75 -1.01 1.72 3.07 -1.78 0.45 114.58 118.19 3hqw h GLU 582 Ca 0.07 -0.50 0.03 0.00 -0.50 0.00 0.00 59.36 58.46 3hqw h GLU 582 Cb 0.57 0.07 -0.06 0.00 -0.84 0.00 0.00 28.75 28.49 3hqw h GLU 582 CO 0.04 1.12 0.66 1.96 -1.40 0.00 0.00 179.01 181.39 3hqw h GLN 583 N 0.48 1.26 -0.34 2.33 4.20 -1.00 -1.64 115.11 120.41 3hqw h GLN 583 Ca 0.00 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.62 3hqw h GLN 583 Cb 1.11 -0.29 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 3hqw h GLN 583 CO 0.11 0.84 0.13 1.25 -0.67 0.00 0.00 178.83 180.49 3hqw h HIS 584 N 1.30 0.52 -0.62 2.96 2.76 -0.75 -1.28 115.15 120.04 3hqw h HIS 584 Ca 0.39 -0.04 0.06 0.00 -2.20 0.00 0.00 60.37 58.58 3hqw h HIS 584 Cb -0.05 -0.15 -0.05 0.00 1.55 0.00 0.00 27.41 28.70 3hqw h HIS 584 CO -0.00 0.49 0.33 0.45 -1.30 0.00 0.00 177.93 177.90 3hqw h HIS 585 N 0.40 0.60 -0.55 5.26 3.86 0.30 -0.19 115.15 124.83 3hqw h HIS 585 Ca 0.11 0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.28 3hqw h HIS 585 Cb 0.20 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.47 3hqw h HIS 585 CO -0.00 0.28 0.08 0.35 0.86 0.00 0.00 177.93 179.50 3hqw h PHE 586 N 0.61 0.97 -0.83 2.45 3.57 -1.18 -1.33 116.94 121.21 3hqw h PHE 586 Ca 0.28 -0.14 0.05 0.00 3.53 0.00 0.00 57.97 61.69 3hqw h PHE 586 Cb 0.20 -0.26 -0.06 0.00 2.79 0.00 0.00 35.95 38.62 3hqw h PHE 586 CO -0.09 0.86 0.52 1.03 -2.23 0.00 0.00 178.31 178.40 3hqw h SER 587 N 0.80 0.84 -0.33 0.41 0.87 -0.44 -1.35 113.55 114.34 3hqw h SER 587 Ca 0.16 0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.64 3hqw h SER 587 Cb 0.42 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 3hqw h SER 587 CO 0.01 0.55 -0.11 1.56 -0.53 0.00 0.00 176.83 178.32 3hqw h GLN 588 N 0.98 0.77 -0.14 2.24 1.08 -0.84 -1.07 115.11 118.12 3hqw h GLN 588 Ca 0.35 -0.25 -0.00 0.00 -1.45 0.00 0.00 58.65 57.29 3hqw h GLN 588 Cb 0.10 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.46 3hqw h GLN 588 CO -0.15 0.85 0.08 1.15 -0.95 0.00 0.00 178.83 179.81 3hqw h THR 589 N 0.70 1.10 -0.63 -0.54 2.02 -0.50 -1.42 112.91 113.65 3hqw h THR 589 Ca 0.12 -0.29 -0.02 0.00 0.77 0.00 0.00 66.41 66.99 3hqw h THR 589 Cb 0.59 1.03 -0.03 0.00 -1.74 0.00 0.00 68.15 68.00 3hqw h THR 589 CO 0.04 0.10 0.31 0.58 0.37 0.00 0.00 175.52 176.92 3hqw h VAL 590 N 0.13 1.21 -0.91 3.16 2.07 -1.09 -1.22 116.25 119.59 3hqw h VAL 590 Ca 0.05 -0.58 0.02 0.00 0.82 0.00 0.00 66.70 67.01 3hqw h VAL 590 Cb 0.09 0.44 -0.05 0.00 -1.52 0.00 0.00 31.29 30.25 3hqw h VAL 590 CO -0.01 0.24 0.60 0.28 0.02 0.00 0.00 177.57 178.70 3hqw h SER 591 N 0.86 1.01 -0.43 0.57 0.02 -0.99 -1.76 113.55 112.83 3hqw h SER 591 Ca 0.22 -0.02 -0.10 0.00 -0.84 0.00 0.00 61.79 61.05 3hqw h SER 591 Cb 0.10 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 3hqw h SER 591 CO -0.03 0.71 -0.13 0.40 -1.14 0.00 0.00 176.83 176.64 3hqw h ILE 592 N 1.19 1.27 0.00 3.27 2.04 -0.90 -2.71 117.51 121.67 3hqw h ILE 592 Ca 0.35 -1.26 -0.00 0.00 1.00 0.00 0.00 64.86 64.94 3hqw h ILE 592 Cb -0.07 1.18 -0.00 0.00 -0.74 0.00 0.00 36.82 37.19 3hqw h ILE 592 CO -0.10 0.43 -0.02 -0.07 0.00 0.00 0.00 178.15 178.39 3hqw h LEU 593 N 0.69 0.00 -0.21 1.44 3.38 -0.66 -2.38 115.31 117.56 3hqw h LEU 593 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3hqw h LEU 593 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 3hqw h LEU 593 CO 0.05 0.02 -0.41 0.00 0.09 0.00 0.00 178.44 178.19 3hqw n GLN 594 N -3.81 0.36 -1.93 1.13 6.02 -0.72 -3.29 117.38 115.15 3hqw n GLN 594 Ca -0.03 -0.21 -0.38 0.00 -0.01 0.00 0.00 57.00 56.37 3hqw n GLN 594 Cb 0.11 -1.50 0.02 0.00 1.02 0.00 0.00 30.24 29.90 3hqw n GLN 594 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3hqw s LEU 595 N -2.79 3.95 0.16 1.08 1.43 -0.90 -4.93 118.68 116.69 3hqw s LEU 595 Ca 0.16 2.65 -0.34 0.00 -1.03 0.00 0.00 54.13 55.58 3hqw s LEU 595 Cb 0.18 -4.20 -0.14 0.00 0.03 0.00 0.00 46.19 42.06 3hqw s LEU 595 CO 0.63 -1.30 1.53 1.21 0.23 0.00 0.00 176.35 178.65 3hqw n GLU 596 N -0.70 2.03 -1.06 1.70 2.13 -1.26 -1.61 120.64 121.86 3hqw n GLU 596 Ca 0.08 0.73 -0.02 0.00 0.66 0.00 0.00 57.16 58.61 3hqw n GLU 596 Cb 0.45 -2.47 -0.01 0.00 0.27 0.00 0.00 31.44 29.68 3hqw n GLU 596 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3hqw n GLY 597 N 3.15 0.46 0.45 8.31 0.00 -1.26 -4.87 105.19 111.43 3hqw n GLY 597 Ca 0.16 -0.15 0.05 0.00 0.00 0.00 0.00 46.02 46.09 3hqw n GLY 597 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3hqw n HIS 598 N -2.62 0.06 -2.62 1.61 8.25 -0.64 -4.70 115.22 114.57 3hqw n HIS 598 Ca -0.02 -0.07 -0.42 0.00 -0.26 0.00 0.00 57.72 56.95 3hqw n HIS 598 Cb 0.23 -0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.31 3hqw n HIS 598 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 3hqw s ASN 599 N -0.91 6.66 0.35 0.41 2.47 -1.21 -4.60 114.94 118.12 3hqw s ASN 599 Ca 0.14 -1.93 0.25 0.00 0.42 0.00 0.00 52.86 51.75 3hqw s ASN 599 Cb 0.09 -2.55 1.26 0.00 -1.45 0.00 0.00 41.25 38.60 3hqw s ASN 599 CO 0.14 -1.32 1.77 0.16 -3.72 0.00 0.00 177.10 174.13 3hqw h ILE 600 N 6.18 0.00 -0.57 -5.21 3.07 -1.87 -1.88 117.51 117.23 3hqw h ILE 600 Ca 0.29 -0.11 -0.00 0.00 1.55 0.00 0.00 64.86 66.59 3hqw h ILE 600 Cb 0.96 0.75 -0.00 0.00 -0.27 0.00 0.00 36.82 38.26 3hqw h ILE 600 CO 1.40 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 179.00 3hqw n PHE 601 N -2.39 2.06 0.26 0.16 3.72 -1.26 -4.69 117.46 115.32 3hqw n PHE 601 Ca -0.00 -0.74 0.13 0.00 -0.05 0.00 0.00 57.45 56.79 3hqw n PHE 601 Cb 0.12 -0.51 0.69 0.00 -0.94 0.00 0.00 39.48 38.83 3hqw n PHE 601 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3hqw h SER 602 N 3.93 0.00 0.84 4.37 4.64 -1.75 -1.81 113.55 123.77 3hqw h SER 602 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hqw h SER 602 Cb 1.98 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.07 3hqw h SER 602 CO 0.49 0.13 -0.21 0.35 -0.87 0.00 0.00 176.83 176.72 3hqw n THR 603 N -3.51 0.05 -2.06 2.95 -2.24 -1.26 -4.86 114.28 103.37 3hqw n THR 603 Ca -0.01 -0.03 -0.33 0.00 -2.27 0.00 0.00 64.05 61.40 3hqw n THR 603 Cb 0.28 -0.22 0.01 0.00 -2.10 0.00 0.00 70.33 68.31 3hqw n THR 603 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3hqw s LEU 604 N -3.15 3.54 0.95 3.22 1.43 -0.68 -5.04 118.68 118.94 3hqw s LEU 604 Ca 0.12 1.92 -0.11 0.00 -1.03 0.00 0.00 54.13 55.04 3hqw s LEU 604 Cb 0.18 -4.55 0.16 0.00 0.03 0.00 0.00 46.19 42.01 3hqw s LEU 604 CO 0.60 -1.25 1.10 -0.94 0.23 0.00 0.00 176.35 176.09 3hqw s SER 605 N -2.51 2.83 0.26 2.29 1.04 -1.26 -4.74 113.70 111.61 3hqw s SER 605 Ca 0.66 1.81 -0.02 0.00 0.48 0.00 0.00 55.95 58.87 3hqw s SER 605 Cb -0.18 -2.40 0.41 0.00 0.10 0.00 0.00 66.02 63.95 3hqw s SER 605 CO 0.35 -3.09 1.87 0.28 0.98 0.00 0.00 173.24 173.62 3hqw h SER 606 N -1.86 0.98 -0.34 7.02 0.02 -1.96 0.34 113.55 117.75 3hqw h SER 606 Ca -0.49 0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 60.43 3hqw h SER 606 Cb 1.28 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.62 3hqw h SER 606 CO 0.48 0.61 0.01 0.28 -1.14 0.00 0.00 176.83 177.07 3hqw h SER 607 N 1.11 0.58 -0.35 3.07 0.02 -1.99 -1.55 113.55 114.44 3hqw h SER 607 Ca 0.43 -0.30 -0.08 0.00 -0.84 0.00 0.00 61.79 61.00 3hqw h SER 607 Cb 0.22 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 3hqw h SER 607 CO -0.19 0.74 -0.05 -0.33 -1.14 0.00 0.00 176.83 175.87 3hqw h GLU 608 N 0.41 0.74 -0.07 3.45 5.08 -1.83 -0.23 114.58 122.13 3hqw h GLU 608 Ca 0.10 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 3hqw h GLU 608 Cb 0.44 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 3hqw h GLU 608 CO 0.02 0.79 0.05 -0.92 -1.00 0.00 0.00 179.01 177.94 3hqw h TYR 609 N 0.69 0.09 -0.94 4.33 5.03 -0.79 -0.11 116.97 125.26 3hqw h TYR 609 Ca 0.13 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.44 3hqw h TYR 609 Cb 0.49 -0.03 -0.05 0.00 1.55 0.00 0.00 36.73 38.70 3hqw h TYR 609 CO 0.02 0.05 0.57 0.93 -1.32 0.00 0.00 178.16 178.42 3hqw h GLU 610 N 0.10 1.27 -0.16 1.82 5.08 -1.04 -1.60 114.58 120.05 3hqw h GLU 610 Ca 0.03 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 3hqw h GLU 610 Cb -0.01 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 28.97 3hqw h GLU 610 CO -0.01 0.88 0.04 0.37 -1.00 0.00 0.00 179.01 179.30 3hqw h GLN 611 N 1.29 0.25 -0.11 2.33 4.15 -0.65 -2.04 115.11 120.33 3hqw h GLN 611 Ca 0.34 -0.06 -0.13 0.00 0.77 0.00 0.00 58.65 59.57 3hqw h GLN 611 Cb -0.06 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.58 3hqw h GLN 611 CO -0.06 0.39 -0.49 -0.24 -1.93 0.00 0.00 178.83 176.49 3hqw h VAL 612 N 0.06 1.34 -0.17 2.39 3.04 -0.86 -1.51 116.25 120.54 3hqw h VAL 612 Ca 0.05 -1.72 -0.07 0.00 -1.01 0.00 0.00 66.70 63.94 3hqw h VAL 612 Cb 0.25 1.80 -0.01 0.00 -2.01 0.00 0.00 31.29 31.31 3hqw h VAL 612 CO -0.00 0.52 -0.23 -0.07 -1.01 0.00 0.00 177.57 176.78 3hqw h LEU 613 N 0.24 0.29 -0.38 3.16 -0.00 -1.19 -0.68 115.31 116.75 3hqw h LEU 613 Ca 0.01 -0.08 -0.18 0.00 -0.00 0.00 0.00 57.88 57.62 3hqw h LEU 613 Cb 0.96 -0.08 -0.00 0.00 -0.00 0.00 0.00 40.66 41.54 3hqw h LEU 613 CO 0.08 0.53 -0.64 -0.08 -0.00 0.00 0.00 178.44 178.33 3hqw h GLU 614 N 0.27 0.63 -0.47 1.13 4.57 -0.92 0.72 114.58 120.50 3hqw h GLU 614 Ca 0.05 -0.44 0.03 0.00 -1.18 0.00 0.00 59.36 57.81 3hqw h GLU 614 Cb 0.55 0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 29.18 3hqw h GLU 614 CO 0.04 1.06 0.25 0.82 -1.18 0.00 0.00 179.01 180.00 3hqw h ILE 615 N 0.46 1.00 -0.34 2.32 2.04 -0.93 -1.18 117.51 120.89 3hqw h ILE 615 Ca -0.01 -0.17 -0.06 0.00 1.00 0.00 0.00 64.86 65.61 3hqw h ILE 615 Cb 1.22 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 3hqw h ILE 615 CO 0.12 0.09 -0.02 0.40 0.00 0.00 0.00 178.15 178.74 3hqw h ILE 616 N 0.51 1.27 0.03 -0.67 2.04 -1.00 -1.39 117.51 118.29 3hqw h ILE 616 Ca 0.20 -1.02 0.00 0.00 1.00 0.00 0.00 64.86 65.04 3hqw h ILE 616 Cb 0.07 1.26 -0.00 0.00 -0.74 0.00 0.00 36.82 37.41 3hqw h ILE 616 CO -0.12 0.33 -0.03 -0.09 0.00 0.00 0.00 178.15 178.25 3hqw h ARG 617 N 0.41 -0.06 -0.73 2.37 2.43 -0.68 0.05 114.38 118.16 3hqw h ARG 617 Ca 0.09 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.26 3hqw h ARG 617 Cb 0.49 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.02 3hqw h ARG 617 CO 0.02 -0.04 0.44 0.87 -1.51 0.00 0.00 179.97 179.75 3hqw h LYS 618 N -0.06 1.00 -0.46 0.20 1.57 -1.13 -1.27 116.57 116.42 3hqw h LYS 618 Ca -0.00 -0.09 -0.05 0.00 -1.87 0.00 0.00 60.65 58.63 3hqw h LYS 618 Cb 0.06 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 3hqw h LYS 618 CO -0.00 0.71 0.08 0.00 -0.57 0.00 0.00 179.45 179.66 3hqw h ALA 619 N 1.23 0.61 -0.25 3.86 0.00 -1.01 -0.92 119.26 122.78 3hqw h ALA 619 Ca 0.26 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3hqw h ALA 619 Cb -0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3hqw h ALA 619 CO -0.05 0.33 -0.01 0.82 0.00 0.00 0.00 179.25 180.34 3hqw h ILE 620 N 0.62 1.26 -0.85 0.00 2.04 -0.77 -2.82 117.51 117.00 3hqw h ILE 620 Ca 0.14 -0.94 0.05 0.00 1.00 0.00 0.00 64.86 65.11 3hqw h ILE 620 Cb 0.38 1.39 -0.05 0.00 -0.74 0.00 0.00 36.82 37.80 3hqw h ILE 620 CO 0.01 0.29 0.55 0.40 0.00 0.00 0.00 178.15 179.41 3hqw h ILE 621 N 0.21 1.09 0.00 -0.67 1.08 -1.15 -2.25 117.51 115.82 3hqw h ILE 621 Ca 0.07 -0.34 -0.00 0.00 -0.39 0.00 0.00 64.86 64.20 3hqw h ILE 621 Cb 0.44 0.01 -0.00 0.00 -3.07 0.00 0.00 36.82 34.20 3hqw h ILE 621 CO 0.02 0.18 -0.02 0.00 -0.69 0.00 0.00 178.15 177.64 3hqw h ALA 622 N 1.53 1.17 0.00 1.87 0.00 -0.90 -1.49 119.26 121.44 3hqw h ALA 622 Ca 0.35 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3hqw h ALA 622 Cb 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3hqw h ALA 622 CO -0.12 0.02 0.00 0.25 0.00 0.00 0.00 179.25 179.40 3hqw n THR 623 N -3.36 0.22 -2.10 0.00 -2.24 -0.84 -4.53 114.28 101.43 3hqw n THR 623 Ca -0.02 0.05 -0.41 0.00 -2.27 0.00 0.00 64.05 61.40 3hqw n THR 623 Cb 0.12 -0.74 -0.03 0.00 -2.10 0.00 0.00 70.33 67.58 3hqw n THR 623 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hqw s ASP 624 N -2.29 5.67 0.62 3.42 2.15 -0.56 -4.87 116.67 120.81 3hqw s ASP 624 Ca 0.24 0.69 0.34 0.00 0.43 0.00 0.00 52.55 54.25 3hqw s ASP 624 Cb 0.13 -2.53 1.98 0.00 -0.30 0.00 0.00 42.92 42.20 3hqw s ASP 624 CO 0.26 -1.99 2.24 0.25 -0.17 0.00 0.00 175.17 175.76 3hqw h LEU 625 N 14.74 0.00 -1.56 -1.34 5.85 -1.89 -1.18 115.31 129.93 3hqw h LEU 625 Ca -0.29 0.00 0.13 0.00 0.84 0.00 0.00 57.88 58.57 3hqw h LEU 625 Cb 1.15 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.13 3hqw h LEU 625 CO 1.14 0.00 0.49 0.00 -0.34 0.00 0.00 178.44 179.73 3hqw h ALA 626 N 1.90 2.05 0.00 1.25 0.00 -1.93 -1.50 119.26 121.03 3hqw h ALA 626 Ca 0.02 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3hqw h ALA 626 Cb 0.16 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3hqw h ALA 626 CO -0.00 -0.24 -0.18 -0.07 0.00 0.00 0.00 179.25 178.76 3hqw h LEU 627 N 0.45 0.00 -0.99 0.00 3.38 -1.54 -3.34 115.31 113.27 3hqw h LEU 627 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 3hqw h LEU 627 Cb 0.75 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.46 3hqw h LEU 627 CO -0.12 0.18 0.60 0.22 0.09 0.00 0.00 178.44 179.41 3hqw h TYR 628 N 0.00 1.24 -0.19 1.13 3.20 -1.36 -2.48 116.97 118.51 3hqw h TYR 628 Ca -0.00 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 3hqw h TYR 628 Cb 0.97 -0.41 -0.01 0.00 1.54 0.00 0.00 36.73 38.82 3hqw h TYR 628 CO 0.00 0.81 0.07 0.74 -1.64 0.00 0.00 178.16 178.14 3hqw h PHE 629 N 1.32 0.29 -0.56 -3.82 0.04 -1.71 0.15 116.94 112.65 3hqw h PHE 629 Ca 0.35 -0.02 -0.10 0.00 2.80 0.00 0.00 57.97 60.99 3hqw h PHE 629 Cb -0.10 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 37.95 3hqw h PHE 629 CO 0.00 0.34 -0.05 0.78 -0.60 0.00 0.00 178.31 178.79 3hqw h GLY 630 N 0.15 1.10 0.88 -1.45 0.00 -1.78 -1.78 103.07 100.19 3hqw h GLY 630 Ca 0.06 -0.85 -0.01 0.00 0.00 0.00 0.00 47.33 46.53 3hqw h GLY 630 CO -0.00 0.78 0.07 -0.57 0.00 0.00 0.00 176.54 176.81 3hqw h ASN 631 N 0.90 0.29 -0.58 0.19 -1.24 -1.01 -2.05 115.58 112.08 3hqw h ASN 631 Ca 0.15 -0.19 -0.06 0.00 0.71 0.00 0.00 56.30 56.91 3hqw h ASN 631 Cb 0.61 -0.08 -0.03 0.00 0.73 0.00 0.00 38.32 39.55 3hqw h ASN 631 CO 0.04 0.41 0.14 -0.09 -1.29 0.00 0.00 177.43 176.63 3hqw h ARG 632 N 0.16 0.97 -0.61 6.67 1.12 -0.64 -1.27 114.38 120.78 3hqw h ARG 632 Ca 0.07 -0.22 0.04 0.00 -1.11 0.00 0.00 59.98 58.75 3hqw h ARG 632 Cb 0.21 -0.13 -0.04 0.00 -0.01 0.00 0.00 29.97 30.00 3hqw h ARG 632 CO -0.00 0.87 0.35 -0.22 -3.11 0.00 0.00 179.97 177.86 3hqw h LYS 633 N 0.92 0.66 -0.35 0.20 3.64 -1.14 -0.21 116.57 120.29 3hqw h LYS 633 Ca 0.20 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.46 3hqw h LYS 633 Cb 0.35 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 3hqw h LYS 633 CO 0.00 0.44 -0.09 1.96 -2.27 0.00 0.00 179.45 179.49 3hqw h GLN 634 N 0.68 0.69 -0.70 1.90 1.08 -0.93 -2.28 115.11 115.55 3hqw h GLN 634 Ca 0.26 -0.27 -0.05 0.00 -1.45 0.00 0.00 58.65 57.14 3hqw h GLN 634 Cb 0.09 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.45 3hqw h GLN 634 CO -0.14 0.85 0.23 -0.07 -0.95 0.00 0.00 178.83 178.76 3hqw h LEU 635 N 0.48 0.98 -0.84 1.46 3.38 -1.00 -1.42 115.31 118.34 3hqw h LEU 635 Ca 0.09 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 3hqw h LEU 635 Cb 0.60 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 3hqw h LEU 635 CO 0.04 0.91 -0.14 -0.08 0.09 0.00 0.00 178.44 179.25 3hqw h GLU 636 N 1.02 0.71 -0.55 1.13 4.57 -0.91 -0.41 114.58 120.15 3hqw h GLU 636 Ca 0.23 -0.24 -0.11 0.00 -1.18 0.00 0.00 59.36 58.06 3hqw h GLU 636 Cb 0.27 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.78 3hqw h GLU 636 CO -0.01 0.82 -0.09 1.49 -1.18 0.00 0.00 179.01 180.04 3hqw h GLU 637 N 0.64 1.03 -0.49 1.92 4.57 -1.02 -1.14 114.58 120.09 3hqw h GLU 637 Ca 0.11 -0.37 -0.06 0.00 -1.18 0.00 0.00 59.36 57.86 3hqw h GLU 637 Cb 0.60 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.10 3hqw h GLU 637 CO 0.04 1.06 0.07 0.52 -1.18 0.00 0.00 179.01 179.52 3hqw h MET 638 N 0.92 0.76 -0.19 1.92 2.86 -0.79 -1.54 114.93 118.87 3hqw h MET 638 Ca 0.15 -0.17 -0.04 0.00 -2.06 0.00 0.00 59.70 57.58 3hqw h MET 638 Cb 0.66 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.20 3hqw h MET 638 CO 0.05 0.73 -0.04 -0.92 1.06 0.00 0.00 176.91 177.78 3hqw h TYR 639 N 0.73 0.40 -0.49 -0.22 3.20 -0.84 0.34 116.97 120.09 3hqw h TYR 639 Ca 0.16 -0.08 -0.03 0.00 3.14 0.00 0.00 58.73 61.91 3hqw h TYR 639 Cb 0.34 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.49 3hqw h TYR 639 CO 0.02 0.61 0.17 1.96 -1.64 0.00 0.00 178.16 179.27 3hqw h GLN 640 N 0.09 0.72 -0.03 1.82 1.08 -0.98 -2.66 115.11 115.15 3hqw h GLN 640 Ca 0.05 -0.12 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 3hqw h GLN 640 Cb 0.47 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.78 3hqw h GLN 640 CO 0.02 0.62 0.00 0.25 -0.95 0.00 0.00 178.83 178.77 3hqw n THR 641 N -4.33 0.01 -1.71 -0.54 -2.24 -0.60 -4.94 114.28 99.94 3hqw n THR 641 Ca 0.04 -0.39 -0.14 0.00 -2.27 0.00 0.00 64.05 61.28 3hqw n THR 641 Cb 0.18 1.04 -0.04 0.00 -2.10 0.00 0.00 70.33 69.41 3hqw n THR 641 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hqw n GLY 642 N 1.27 0.86 0.55 3.38 0.00 -0.81 -4.91 105.19 105.54 3hqw n GLY 642 Ca 0.16 -0.35 0.11 0.00 0.00 0.00 0.00 46.02 45.94 3hqw n GLY 642 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hqw n SER 643 N -0.38 2.15 -4.71 1.61 3.41 0.05 -4.95 113.62 110.80 3hqw n SER 643 Ca -0.15 -1.58 -0.42 0.00 -0.26 0.00 0.00 58.87 56.47 3hqw n SER 643 Cb 0.51 0.42 -0.03 0.00 -0.26 0.00 0.00 64.21 64.86 3hqw n SER 643 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3hqw s LEU 644 N -2.41 4.38 -0.29 1.04 2.96 -1.11 -4.97 118.68 118.27 3hqw s LEU 644 Ca 0.19 2.70 0.00 0.00 -0.22 0.00 0.00 54.13 56.81 3hqw s LEU 644 Cb 0.18 -3.58 0.09 0.00 0.50 0.00 0.00 46.19 43.38 3hqw s LEU 644 CO 0.54 -0.92 0.05 0.21 -1.32 0.00 0.00 176.35 174.91 3hqw s ASN 645 N 1.74 4.02 0.28 3.68 2.47 -1.26 -4.99 114.94 120.87 3hqw s ASN 645 Ca 0.75 -1.56 0.22 0.00 0.42 0.00 0.00 52.86 52.69 3hqw s ASN 645 Cb -0.45 -1.05 1.04 0.00 -1.45 0.00 0.00 41.25 39.33 3hqw s ASN 645 CO 0.33 -0.36 1.67 0.18 -3.72 0.00 0.00 177.10 175.20 3hqw n LEU 646 N 4.71 0.60 0.00 3.21 4.77 -1.26 -1.26 117.00 127.77 3hqw n LEU 646 Ca -0.04 0.70 0.13 0.00 -0.03 0.00 0.00 56.01 56.78 3hqw n LEU 646 Cb 0.43 -0.69 0.47 0.00 -2.33 0.00 0.00 43.42 41.30 3hqw n LEU 646 CO 0.15 -0.73 0.75 1.41 -1.33 0.00 0.00 177.39 177.64 3hqw n HIS 647 N -2.22 0.01 -3.04 -1.77 8.25 -1.26 -4.55 115.22 110.64 3hqw n HIS 647 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.06 3hqw n HIS 647 Cb 0.14 -0.41 -0.06 0.00 1.12 0.00 0.00 29.99 30.78 3hqw n HIS 647 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 3hqw s ASN 648 N -3.03 6.58 0.29 0.41 3.84 -0.39 -4.97 114.94 117.68 3hqw s ASN 648 Ca 0.13 0.58 -0.02 0.00 0.21 0.00 0.00 52.86 53.76 3hqw s ASN 648 Cb 0.18 -2.36 0.41 0.00 -0.55 0.00 0.00 41.25 38.93 3hqw s ASN 648 CO 0.60 -0.51 1.94 -0.61 -2.79 0.00 0.00 177.10 175.74 3hqw h GLN 649 N 8.09 1.13 -0.53 0.43 5.75 -1.85 0.73 115.11 128.86 3hqw h GLN 649 Ca -0.26 -0.07 -0.01 0.00 -0.15 0.00 0.00 58.65 58.17 3hqw h GLN 649 Cb 1.11 -0.26 -0.03 0.00 1.07 0.00 0.00 27.48 29.38 3hqw h GLN 649 CO 0.83 0.75 0.30 0.66 -2.65 0.00 0.00 178.83 178.72 3hqw h SER 650 N 1.17 0.65 -0.32 -0.69 4.64 -1.93 0.32 113.55 117.39 3hqw h SER 650 Ca 0.34 -0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 61.57 3hqw h SER 650 Cb -0.06 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 61.85 3hqw h SER 650 CO -0.09 0.54 0.15 0.45 -0.87 0.00 0.00 176.83 177.01 3hqw h HIS 651 N 0.71 0.46 -0.95 4.77 3.86 -1.69 -2.59 115.15 119.72 3hqw h HIS 651 Ca 0.19 -0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.39 3hqw h HIS 651 Cb 0.02 -0.14 -0.05 0.00 1.06 0.00 0.00 27.41 28.30 3hqw h HIS 651 CO -0.02 0.41 0.63 -0.09 0.86 0.00 0.00 177.93 179.72 3hqw h ARG 652 N 0.38 1.25 -0.68 2.45 2.43 -0.63 -1.28 114.38 118.29 3hqw h ARG 652 Ca 0.11 -0.08 -0.06 0.00 -0.81 0.00 0.00 59.98 59.15 3hqw h ARG 652 Cb 0.12 -0.28 -0.03 0.00 -0.42 0.00 0.00 29.97 29.36 3hqw h ARG 652 CO -0.01 0.83 0.20 -0.44 -1.51 0.00 0.00 179.97 179.03 3hqw h ASP 653 N 1.29 0.99 -0.55 -3.80 3.32 -0.81 -1.54 116.42 115.32 3hqw h ASP 653 Ca 0.35 -0.19 -0.06 0.00 0.02 0.00 0.00 57.03 57.16 3hqw h ASP 653 Cb -0.14 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.13 3hqw h ASP 653 CO -0.08 0.94 0.12 0.03 -1.72 0.00 0.00 179.24 178.53 3hqw h ARG 654 N 1.02 0.89 -0.56 3.56 3.08 -0.98 -0.31 114.38 121.08 3hqw h ARG 654 Ca 0.22 -0.22 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 3hqw h ARG 654 Cb 0.31 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.22 3hqw h ARG 654 CO -0.01 0.84 0.28 0.28 -1.07 0.00 0.00 179.97 180.30 3hqw h VAL 655 N 0.78 1.20 -0.84 2.04 2.07 -0.96 -1.22 116.25 119.32 3hqw h VAL 655 Ca 0.17 -0.54 -0.00 0.00 0.82 0.00 0.00 66.70 67.15 3hqw h VAL 655 Cb 0.36 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 30.63 3hqw h VAL 655 CO 0.00 0.22 0.51 0.40 0.02 0.00 0.00 177.57 178.73 3hqw h ILE 656 N 0.75 1.23 -0.61 4.57 2.04 -1.12 -0.65 117.51 123.73 3hqw h ILE 656 Ca 0.19 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.55 3hqw h ILE 656 Cb 0.09 0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 36.20 3hqw h ILE 656 CO -0.03 0.24 0.39 1.23 0.00 0.00 0.00 178.15 179.99 3hqw h GLY 657 N 1.15 0.86 1.23 5.37 0.00 -0.58 -0.09 103.07 111.01 3hqw h GLY 657 Ca 0.30 -0.33 -0.04 0.00 0.00 0.00 0.00 47.33 47.26 3hqw h GLY 657 CO -0.06 0.33 0.25 -2.00 0.00 0.00 0.00 176.54 175.06 3hqw h LEU 658 N 0.82 0.90 -0.69 3.11 5.85 -0.81 -1.46 115.31 123.04 3hqw h LEU 658 Ca 0.22 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 3hqw h LEU 658 Cb -0.07 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.69 3hqw h LEU 658 CO -0.05 0.82 0.42 0.24 -0.34 0.00 0.00 178.44 179.54 3hqw h MET 659 N 0.96 0.93 -0.54 1.25 2.86 -0.53 -0.23 114.93 119.62 3hqw h MET 659 Ca 0.22 -0.08 -0.03 0.00 -2.06 0.00 0.00 59.70 57.76 3hqw h MET 659 Cb 0.21 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 3hqw h MET 659 CO -0.02 0.65 0.23 0.52 1.06 0.00 0.00 176.91 179.36 3hqw h MET 660 N 0.93 0.80 -0.26 1.72 2.86 -0.60 -0.31 114.93 120.08 3hqw h MET 660 Ca 0.25 -0.14 0.04 0.00 -2.06 0.00 0.00 59.70 57.79 3hqw h MET 660 Cb -0.05 -0.13 -0.04 0.00 0.06 0.00 0.00 31.60 31.44 3hqw h MET 660 CO -0.05 0.69 0.03 1.15 1.06 0.00 0.00 176.91 179.79 3hqw h THR 661 N 0.73 0.85 -0.78 2.22 2.02 -0.99 0.03 112.91 117.00 3hqw h THR 661 Ca 0.18 -0.04 0.03 0.00 0.77 0.00 0.00 66.41 67.36 3hqw h THR 661 Cb 0.17 0.73 -0.05 0.00 -1.74 0.00 0.00 68.15 67.26 3hqw h THR 661 CO -0.02 0.02 0.50 0.00 0.37 0.00 0.00 175.52 176.39 3hqw h ALA 662 N 1.20 1.03 -0.29 6.16 0.00 -0.70 -0.95 119.26 125.72 3hqw h ALA 662 Ca 0.12 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 3hqw h ALA 662 Cb 0.14 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3hqw h ALA 662 CO -0.18 0.30 -0.26 0.00 0.00 0.00 0.00 179.25 179.11 3hqw h ASP 664 N 0.43 0.42 -0.29 0.00 3.58 -0.41 -2.65 116.42 117.50 3hqw h ASP 664 Ca 0.05 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.43 3hqw h ASP 664 Cb 0.82 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.76 3hqw h ASP 664 CO 0.07 0.49 0.00 0.18 -2.88 0.00 0.00 179.24 177.10 3hqw n LEU 665 N -4.30 2.20 0.00 2.28 4.77 -0.41 -4.66 117.00 116.88 3hqw n LEU 665 Ca 0.01 -0.99 0.03 0.00 -0.03 0.00 0.00 56.01 55.04 3hqw n LEU 665 Cb 0.23 -0.19 0.15 0.00 -2.33 0.00 0.00 43.42 41.28 3hqw n LEU 665 CO 0.38 0.49 0.57 0.00 -1.33 0.00 0.00 177.39 177.51 3hqw h SER 667 N 0.00 0.11 -0.06 0.00 4.64 -1.85 -0.54 113.55 115.85 3hqw h SER 667 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3hqw h SER 667 Cb 0.09 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 3hqw h SER 667 CO 0.00 0.05 0.00 1.33 -0.87 0.00 0.00 176.83 177.34 3hqw n VAL 668 N -4.37 0.07 -0.05 0.95 0.24 -0.92 -2.88 118.33 111.38 3hqw n VAL 668 Ca 0.15 -0.11 0.04 0.00 -2.04 0.00 0.00 64.34 62.37 3hqw n VAL 668 Cb 0.75 -0.07 0.09 0.00 -1.47 0.00 0.00 33.84 33.14 3hqw n VAL 668 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3hqw n THR 669 N -0.42 0.83 -2.34 3.34 -2.24 -0.21 -3.51 114.28 109.73 3hqw n THR 669 Ca 0.14 -0.92 -0.26 0.00 -2.27 0.00 0.00 64.05 60.75 3hqw n THR 669 Cb 0.14 0.61 0.12 0.00 -2.10 0.00 0.00 70.33 69.10 3hqw n THR 669 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3hqw s LYS 670 N -0.94 1.53 0.62 -0.78 -0.14 -1.14 -4.53 119.74 114.37 3hqw s LYS 670 Ca 0.14 -0.75 -0.16 0.00 -1.36 0.00 0.00 55.97 53.84 3hqw s LYS 670 Cb 0.08 -2.18 -0.02 0.00 -1.68 0.00 0.00 37.83 34.03 3hqw s LYS 670 CO 0.10 -1.64 1.11 -0.51 -0.76 0.00 0.00 175.35 173.65 3hqw s LEU 671 N -5.35 3.50 0.24 3.17 1.43 -1.26 -4.71 118.68 115.70 3hqw s LEU 671 Ca 0.67 2.03 -0.05 0.00 -1.03 0.00 0.00 54.13 55.74 3hqw s LEU 671 Cb -0.06 -4.56 0.45 0.00 0.03 0.00 0.00 46.19 42.06 3hqw s LEU 671 CO 0.46 -1.48 1.67 -0.25 0.23 0.00 0.00 176.35 176.99 3hqw h TRP 672 N 0.38 0.20 -0.57 0.29 2.91 -1.96 -0.57 115.95 116.63 3hqw h TRP 672 Ca -0.48 0.05 0.01 0.00 1.13 0.00 0.00 58.89 59.60 3hqw h TRP 672 Cb 1.25 0.02 -0.03 0.00 -0.51 0.00 0.00 29.16 29.89 3hqw h TRP 672 CO 0.54 -0.12 0.38 -1.35 -1.03 0.00 0.00 178.44 176.86 3hqw h PRO 673 N 0.23 0.74 -0.04 2.65 0.11 -1.99 0.04 132.00 133.73 3hqw h PRO 673 Ca 0.41 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.45 3hqw h PRO 673 Cb 0.71 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.66 3hqw h PRO 673 CO -0.54 0.49 -0.10 0.28 -0.21 0.00 0.00 178.00 177.93 3hqw h VAL 674 N 0.76 1.44 -0.45 3.15 2.07 -1.52 -2.36 116.25 119.35 3hqw h VAL 674 Ca 0.21 -1.45 0.08 0.00 0.82 0.00 0.00 66.70 66.36 3hqw h VAL 674 Cb -0.07 2.31 -0.07 0.00 -1.52 0.00 0.00 31.29 31.94 3hqw h VAL 674 CO -0.05 0.40 0.04 0.74 0.02 0.00 0.00 177.57 178.72 3hqw h THR 675 N -0.40 0.70 -0.37 2.57 2.02 -0.93 -0.05 112.91 116.45 3hqw h THR 675 Ca -0.00 -0.05 -0.04 0.00 0.77 0.00 0.00 66.41 67.09 3hqw h THR 675 Cb 0.69 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 67.61 3hqw h THR 675 CO 0.02 0.03 0.09 0.50 0.37 0.00 0.00 175.52 176.53 3hqw h LYS 676 N 0.16 0.59 -0.44 6.66 3.64 -1.05 -1.41 116.57 124.72 3hqw h LYS 676 Ca 0.22 -0.14 -0.08 0.00 -1.27 0.00 0.00 60.65 59.38 3hqw h LYS 676 Cb 0.31 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 3hqw h LYS 676 CO -0.34 0.63 -0.06 -0.07 -2.27 0.00 0.00 179.45 177.34 3hqw h LEU 677 N 0.45 0.74 -0.61 5.20 3.38 -1.17 -2.97 115.31 120.33 3hqw h LEU 677 Ca 0.12 -0.20 -0.13 0.00 0.09 0.00 0.00 57.88 57.76 3hqw h LEU 677 Cb 0.30 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3hqw h LEU 677 CO 0.00 0.85 -0.31 0.74 0.09 0.00 0.00 178.44 179.80 3hqw h THR 678 N 0.70 1.28 -0.73 0.22 2.02 -0.76 -2.48 112.91 113.16 3hqw h THR 678 Ca 0.13 -1.46 0.13 0.00 0.77 0.00 0.00 66.41 65.98 3hqw h THR 678 Cb 0.52 1.35 -0.05 0.00 -1.74 0.00 0.00 68.15 68.23 3hqw h THR 678 CO 0.03 0.48 0.49 0.00 0.37 0.00 0.00 175.52 176.89 3hqw h ALA 679 N 1.00 2.05 -0.91 6.16 0.00 -1.10 -0.90 119.26 125.57 3hqw h ALA 679 Ca 0.07 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.04 3hqw h ALA 679 Cb 0.85 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.50 3hqw h ALA 679 CO 0.07 -0.24 0.57 -0.91 0.00 0.00 0.00 179.25 178.75 3hqw h ASN 680 N 0.46 0.91 -0.18 0.00 2.35 -1.42 -1.19 115.58 116.51 3hqw h ASN 680 Ca 0.35 0.01 -0.18 0.00 -0.55 0.00 0.00 56.30 55.94 3hqw h ASN 680 Cb 0.74 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.93 3hqw h ASN 680 CO -0.12 0.59 -0.56 0.44 -1.65 0.00 0.00 177.43 176.13 3hqw h ASP 681 N 1.05 0.87 -0.45 5.81 3.32 -1.24 -1.65 116.42 124.12 3hqw h ASP 681 Ca 0.39 -0.47 -0.02 0.00 0.02 0.00 0.00 57.03 56.95 3hqw h ASP 681 Cb 0.15 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 3hqw h ASP 681 CO -0.17 1.24 0.20 0.40 -1.72 0.00 0.00 179.24 179.20 3hqw h ILE 682 N 0.59 1.19 -0.03 0.35 2.04 -0.97 -2.76 117.51 117.92 3hqw h ILE 682 Ca 0.01 -0.57 -0.12 0.00 1.00 0.00 0.00 64.86 65.18 3hqw h ILE 682 Cb 1.15 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.95 3hqw h ILE 682 CO 0.12 0.22 -0.54 1.88 0.00 0.00 0.00 178.15 179.83 3hqw h TYR 683 N 0.59 0.11 -0.80 1.37 0.05 -1.21 -1.66 116.97 115.42 3hqw h TYR 683 Ca 0.15 -0.04 0.05 0.00 0.05 0.00 0.00 58.73 58.94 3hqw h TYR 683 Cb 0.15 -0.02 -0.05 0.00 1.01 0.00 0.00 36.73 37.82 3hqw h TYR 683 CO -0.00 0.61 0.50 0.00 -1.05 0.00 0.00 178.16 178.21 3hqw h ALA 684 N 1.38 1.08 0.06 3.88 0.00 -1.02 0.11 119.26 124.75 3hqw h ALA 684 Ca -0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3hqw h ALA 684 Cb 0.97 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3hqw h ALA 684 CO 0.07 0.27 -0.03 0.93 0.00 0.00 0.00 179.25 180.49 3hqw h GLU 685 N 0.94 -0.07 -0.65 0.00 5.08 -1.29 -2.80 114.58 115.80 3hqw h GLU 685 Ca 0.34 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.76 3hqw h GLU 685 Cb 0.10 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.31 3hqw h GLU 685 CO -0.15 0.30 0.36 0.74 -1.00 0.00 0.00 179.01 179.26 3hqw h PHE 686 N -0.46 0.65 -0.29 4.33 0.04 -0.96 -1.30 116.94 118.96 3hqw h PHE 686 Ca -0.01 0.02 -0.12 0.00 2.80 0.00 0.00 57.97 60.67 3hqw h PHE 686 Cb 0.41 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 38.35 3hqw h PHE 686 CO 0.05 0.31 -0.31 -1.49 -0.60 0.00 0.00 178.31 176.28 3hqw h TRP 687 N 0.66 0.70 -0.67 -0.55 6.55 -0.87 -0.54 115.95 121.23 3hqw h TRP 687 Ca 0.29 -0.17 -0.06 0.00 0.95 0.00 0.00 58.89 59.90 3hqw h TRP 687 Cb 0.18 -0.16 -0.03 0.00 -0.86 0.00 0.00 29.16 28.29 3hqw h TRP 687 CO -0.08 0.84 0.19 0.00 -1.05 0.00 0.00 178.44 178.34 3hqw h ALA 688 N 1.15 1.06 -0.54 1.49 0.00 -1.17 0.32 119.26 121.56 3hqw h ALA 688 Ca 0.06 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 3hqw h ALA 688 Cb 0.79 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3hqw h ALA 688 CO 0.06 0.63 0.19 1.49 0.00 0.00 0.00 179.25 181.62 3hqw h GLU 689 N 1.00 0.83 -0.84 0.00 4.81 -0.79 -1.81 114.58 117.77 3hqw h GLU 689 Ca 0.22 -0.17 0.02 0.00 -0.13 0.00 0.00 59.36 59.29 3hqw h GLU 689 Cb 0.32 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.52 3hqw h GLU 689 CO -0.00 0.75 0.55 0.78 -0.73 0.00 0.00 179.01 180.36 3hqw h GLY 690 N 0.75 1.20 0.55 1.92 0.00 -0.64 0.83 103.07 107.68 3hqw h GLY 690 Ca 0.18 -0.43 0.08 0.00 0.00 0.00 0.00 47.33 47.15 3hqw h GLY 690 CO -0.01 0.41 0.35 -0.55 0.00 0.00 0.00 176.54 176.74 3hqw h ASP 691 N 1.12 0.47 -0.10 0.19 3.32 -0.73 -1.52 116.42 119.16 3hqw h ASP 691 Ca 0.32 0.05 -0.09 0.00 0.02 0.00 0.00 57.03 57.32 3hqw h ASP 691 Cb -0.09 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 3hqw h ASP 691 CO -0.08 0.29 -0.22 -0.33 -1.72 0.00 0.00 179.24 177.17 3hqw h GLU 692 N 0.61 0.52 -0.16 3.56 4.39 -0.40 -1.64 114.58 121.46 3hqw h GLU 692 Ca 0.32 -0.19 -0.00 0.00 0.34 0.00 0.00 59.36 59.83 3hqw h GLU 692 Cb 0.29 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 3hqw h GLU 692 CO -0.24 0.71 0.09 0.52 -1.16 0.00 0.00 179.01 178.93 3hqw h MET 693 N 0.46 0.22 -0.83 2.33 2.86 -0.39 -2.24 114.93 117.35 3hqw h MET 693 Ca 0.07 -0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.74 3hqw h MET 693 Cb 0.64 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 32.20 3hqw h MET 693 CO 0.05 0.22 0.54 0.87 1.06 0.00 0.00 176.91 179.64 3hqw h LYS 694 N 0.16 0.93 0.00 1.72 1.57 -0.90 -0.53 116.57 119.53 3hqw h LYS 694 Ca 0.06 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 3hqw h LYS 694 Cb 0.06 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 3hqw h LYS 694 CO -0.01 0.62 -0.18 0.87 -0.57 0.00 0.00 179.45 180.18 3hqw h LYS 695 N 0.96 0.00 -0.00 3.15 1.57 -0.94 -1.22 116.57 120.09 3hqw h LYS 695 Ca 0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 3hqw h LYS 695 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 3hqw h LYS 695 CO -0.11 0.18 -0.05 1.28 -0.57 0.00 0.00 179.45 180.17 3hqw n LEU 696 N -3.49 0.14 0.00 2.94 4.77 -0.34 -4.92 117.00 116.10 3hqw n LEU 696 Ca -0.01 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 3hqw n LEU 696 Cb 0.34 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 3hqw n LEU 696 CO 0.32 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 3hqw n GLY 697 N 1.33 0.54 3.15 -0.72 0.00 -0.46 -5.06 105.19 103.97 3hqw n GLY 697 Ca 0.13 -0.84 -0.32 0.00 0.00 0.00 0.00 46.02 44.99 3hqw n GLY 697 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hqw s ILE 698 N -2.00 1.95 -0.06 -0.61 1.01 -0.43 -5.00 121.20 116.07 3hqw s ILE 698 Ca 0.00 -0.92 -0.30 0.00 0.00 0.00 0.00 60.65 59.44 3hqw s ILE 698 Cb 0.00 -1.73 -0.06 0.00 0.01 0.00 0.00 42.46 40.67 3hqw s ILE 698 CO 0.00 0.53 1.83 -1.58 0.00 0.00 0.00 174.94 175.72 3hqw s GLN 699 N 0.83 4.01 0.72 2.79 2.00 -1.26 -2.75 119.66 125.99 3hqw s GLN 699 Ca -0.07 2.26 -0.11 0.00 -2.00 0.00 0.00 55.36 55.44 3hqw s GLN 699 Cb -0.15 -4.10 0.02 0.00 0.80 0.00 0.00 33.01 29.58 3hqw s GLN 699 CO -0.02 -1.08 1.07 -1.25 -0.50 0.00 0.00 175.29 173.52 3hqw s PRO 700 N 4.52 2.70 0.67 1.67 0.04 -1.26 -5.00 135.00 138.33 3hqw s PRO 700 Ca 0.82 1.07 -0.16 0.00 0.04 0.00 0.00 61.00 62.77 3hqw s PRO 700 Cb -0.36 -1.96 0.01 0.00 0.04 0.00 0.00 34.50 32.23 3hqw s PRO 700 CO 0.35 -1.29 1.18 0.96 0.04 0.00 0.00 177.00 178.23 3hqw s ILE 701 N -2.92 2.68 0.31 0.56 -4.36 -1.26 -4.79 121.20 111.42 3hqw s ILE 701 Ca 0.60 0.35 0.09 0.00 -0.26 0.00 0.00 60.65 61.43 3hqw s ILE 701 Cb -0.16 -2.96 0.31 0.00 1.25 0.00 0.00 42.46 40.91 3hqw s ILE 701 CO 0.54 -0.16 1.71 -0.65 0.24 0.00 0.00 174.94 176.61 3hqw h PRO 702 N 0.15 0.46 0.00 0.37 0.11 -1.95 -1.17 132.00 129.97 3hqw h PRO 702 Ca -0.48 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 3hqw h PRO 702 Cb 1.28 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 3hqw h PRO 702 CO 0.53 0.31 -0.04 1.98 -0.21 0.00 0.00 178.00 180.56 3hqw h MET 703 N 0.48 0.00 -0.02 1.05 1.85 -1.96 -1.46 114.93 114.87 3hqw h MET 703 Ca 0.64 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.73 3hqw h MET 703 Cb 1.26 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.29 3hqw h MET 703 CO -0.52 0.04 -0.20 -1.33 -0.40 0.00 0.00 176.91 174.50 3hqw n MET 704 N -3.89 1.79 -3.43 0.39 2.81 -0.46 -4.61 117.12 109.72 3hqw n MET 704 Ca -0.03 -1.48 -0.44 0.00 -1.81 0.00 0.00 57.70 53.95 3hqw n MET 704 Cb 0.13 -1.44 -0.09 0.00 -0.71 0.00 0.00 33.22 31.11 3hqw n MET 704 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3hqw s ASP 705 N -2.12 6.11 0.62 7.83 -1.08 -0.55 -3.17 116.67 124.30 3hqw s ASP 705 Ca 0.23 -1.15 0.36 0.00 -0.52 0.00 0.00 52.55 51.46 3hqw s ASP 705 Cb 0.18 -2.16 2.06 0.00 -1.46 0.00 0.00 42.92 41.54 3hqw s ASP 705 CO 0.40 -0.56 2.30 0.08 0.52 0.00 0.00 175.17 177.91 3hqw h ARG 706 N 8.69 0.00 0.00 4.34 0.11 -1.84 -0.40 114.38 125.27 3hqw h ARG 706 Ca -0.28 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.80 3hqw h ARG 706 Cb 1.11 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.19 3hqw h ARG 706 CO 0.81 0.00 -0.01 -0.44 0.10 0.00 0.00 179.97 180.43 3hqw h ASP 707 N 0.00 0.00 -0.65 0.08 3.32 -1.92 -2.49 116.42 114.76 3hqw h ASP 707 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hqw h ASP 707 Cb 0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.56 3hqw h ASP 707 CO 0.00 0.01 0.00 0.29 -1.72 0.00 0.00 179.24 177.82 3hqw n LYS 708 N -3.18 3.71 0.32 3.56 4.76 -0.16 -4.68 118.16 122.49 3hqw n LYS 708 Ca -0.02 -2.83 0.21 0.00 -2.87 0.00 0.00 58.31 52.80 3hqw n LYS 708 Cb 0.16 -1.90 1.05 0.00 -1.84 0.00 0.00 35.03 32.51 3hqw n LYS 708 CO 0.00 0.00 0.00 0.07 -1.37 0.00 0.00 177.40 176.10 3hqw h ARG 709 N 4.07 0.00 0.00 1.97 0.11 -1.56 -0.75 114.38 118.23 3hqw h ARG 709 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3hqw h ARG 709 Cb 1.44 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.52 3hqw h ARG 709 CO 0.23 0.00 0.00 -0.44 0.10 0.00 0.00 179.97 179.87 3hqw h ASP 710 N 0.00 0.00 -0.38 0.08 3.32 -1.86 -2.29 116.42 115.29 3hqw h ASP 710 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hqw h ASP 710 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 3hqw h ASP 710 CO 0.00 0.00 0.00 -0.62 -1.72 0.00 0.00 179.24 176.90 3hqw n GLU 711 N -2.94 2.00 -0.16 3.56 1.02 -0.29 -4.52 120.64 119.32 3hqw n GLU 711 Ca -0.01 -1.54 -0.04 0.00 -0.02 0.00 0.00 57.16 55.55 3hqw n GLU 711 Cb 0.20 -1.37 0.03 0.00 -0.02 0.00 0.00 31.44 30.28 3hqw n GLU 711 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3hqw h VAL 712 N 2.65 0.42 -0.93 2.62 2.07 -1.56 -0.73 116.25 120.78 3hqw h VAL 712 Ca 0.00 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 3hqw h VAL 712 Cb 0.60 0.42 -0.05 0.00 -1.52 0.00 0.00 31.29 30.74 3hqw h VAL 712 CO 0.00 0.00 0.61 -0.65 0.02 0.00 0.00 177.57 177.55 3hqw h PRO 713 N -0.06 1.16 -0.51 1.57 0.11 -1.86 0.33 132.00 132.74 3hqw h PRO 713 Ca 0.23 -0.07 -0.08 0.00 0.11 0.00 0.00 66.00 66.19 3hqw h PRO 713 Cb 0.42 -0.26 -0.02 0.00 0.11 0.00 0.00 31.00 31.25 3hqw h PRO 713 CO -0.54 0.77 -0.02 1.96 -0.21 0.00 0.00 178.00 179.96 3hqw h GLN 714 N 1.19 0.88 -0.59 1.05 7.50 -1.69 -1.82 115.11 121.64 3hqw h GLN 714 Ca 0.36 -0.26 -0.05 0.00 0.50 0.00 0.00 58.65 59.20 3hqw h GLN 714 Cb -0.03 -0.09 -0.03 0.00 0.05 0.00 0.00 27.48 27.39 3hqw h GLN 714 CO -0.10 0.89 0.18 0.78 -1.50 0.00 0.00 178.83 179.08 3hqw h GLY 715 N 0.99 0.99 1.00 3.46 0.00 -0.19 -2.10 103.07 107.21 3hqw h GLY 715 Ca 0.15 -0.59 0.00 0.00 0.00 0.00 0.00 47.33 46.90 3hqw h GLY 715 CO 0.03 0.55 0.12 1.46 0.00 0.00 0.00 176.54 178.70 3hqw h GLN 716 N 0.84 0.25 -0.63 4.80 1.08 -0.70 -1.75 115.11 118.99 3hqw h GLN 716 Ca 0.19 -0.02 0.13 0.00 -1.45 0.00 0.00 58.65 57.51 3hqw h GLN 716 Cb 0.29 -0.06 -0.10 0.00 -0.05 0.00 0.00 27.48 27.56 3hqw h GLN 716 CO -0.01 0.17 0.05 -0.07 -0.95 0.00 0.00 178.83 178.03 3hqw h LEU 717 N 0.25 -0.18 -0.42 1.46 4.07 -1.17 0.28 115.31 119.61 3hqw h LEU 717 Ca 0.07 0.15 0.06 0.00 0.08 0.00 0.00 57.88 58.23 3hqw h LEU 717 Cb -0.03 0.24 -0.05 0.00 1.08 0.00 0.00 40.66 41.90 3hqw h LEU 717 CO -0.01 -0.08 0.13 1.23 -1.08 0.00 0.00 178.44 178.63 3hqw h GLY 718 N 0.17 0.54 0.88 0.83 0.00 -0.90 -0.97 103.07 103.62 3hqw h GLY 718 Ca 0.34 -0.07 -0.07 0.00 0.00 0.00 0.00 47.33 47.53 3hqw h GLY 718 CO -0.50 0.00 -0.11 -2.75 0.00 0.00 0.00 176.54 173.18 3hqw h PHE 719 N 0.29 0.63 -0.72 5.60 3.57 -0.47 -1.22 116.94 124.61 3hqw h PHE 719 Ca 0.20 -0.15 -0.04 0.00 3.53 0.00 0.00 57.97 61.51 3hqw h PHE 719 Cb 0.21 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.77 3hqw h PHE 719 CO -0.17 0.78 0.29 1.88 -2.23 0.00 0.00 178.31 178.87 3hqw h TYR 720 N 0.29 1.10 -0.36 0.41 -1.99 -0.84 0.26 116.97 115.83 3hqw h TYR 720 Ca 0.06 -0.08 -0.16 0.00 2.00 0.00 0.00 58.73 60.55 3hqw h TYR 720 Cb 0.61 -0.33 -0.01 0.00 2.00 0.00 0.00 36.73 39.00 3hqw h TYR 720 CO 0.06 0.85 -0.40 -0.91 -0.00 0.00 0.00 178.16 177.75 3hqw h ASN 721 N 1.04 0.97 0.60 3.88 2.35 -1.10 -0.06 115.58 123.26 3hqw h ASN 721 Ca 0.24 -0.45 -0.18 0.00 -0.55 0.00 0.00 56.30 55.36 3hqw h ASN 721 Cb 0.21 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.28 3hqw h ASN 721 CO -0.02 1.24 -1.53 0.00 -1.65 0.00 0.00 177.43 175.47 3hqw n ALA 722 N -2.54 1.92 0.04 -0.83 0.00 -0.47 -4.52 120.51 114.11 3hqw n ALA 722 Ca -0.02 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 52.81 3hqw n ALA 722 Cb 0.55 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 19.12 3hqw n ALA 722 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3hqw n VAL 723 N -2.86 0.48 0.07 0.00 0.31 -0.00 -4.82 118.33 111.52 3hqw n VAL 723 Ca -0.12 0.16 -0.13 0.00 -0.01 0.00 0.00 64.34 64.25 3hqw n VAL 723 Cb 0.86 -1.02 -0.09 0.00 -0.91 0.00 0.00 33.84 32.69 3hqw n VAL 723 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hqw h ALA 724 N 0.00 -0.21 -0.15 3.52 0.00 -1.32 -0.83 119.26 120.27 3hqw h ALA 724 Ca 0.00 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.72 3hqw h ALA 724 Cb 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3hqw h ALA 724 CO 0.00 -0.42 0.09 0.82 0.00 0.00 0.00 179.25 179.74 3hqw h ILE 725 N -0.61 1.02 -0.94 0.00 1.08 -1.26 -1.62 117.51 115.17 3hqw h ILE 725 Ca -0.02 -0.06 0.04 0.00 -0.39 0.00 0.00 64.86 64.43 3hqw h ILE 725 Cb 0.46 0.82 -0.06 0.00 -3.07 0.00 0.00 36.82 34.97 3hqw h ILE 725 CO 0.04 0.03 0.61 -0.65 -0.69 0.00 0.00 178.15 177.49 3hqw h PRO 726 N 0.18 1.13 0.45 2.37 0.11 -1.76 0.07 132.00 134.54 3hqw h PRO 726 Ca 0.06 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 66.09 3hqw h PRO 726 Cb -0.00 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 30.84 3hqw h PRO 726 CO -0.03 0.75 -0.32 0.00 -0.21 0.00 0.00 178.00 178.19 3hqw h TYR 728 N -0.75 0.00 -0.02 0.00 0.05 -1.20 -1.07 116.97 113.97 3hqw h TYR 728 Ca -0.05 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.73 3hqw h TYR 728 Cb 0.63 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.37 3hqw h TYR 728 CO -0.13 0.38 -0.00 1.15 -1.05 0.00 0.00 178.16 178.50 3hqw h THR 729 N 0.00 1.28 -0.91 -2.88 2.02 -0.79 -0.94 112.91 110.69 3hqw h THR 729 Ca -0.00 -0.85 -0.01 0.00 0.77 0.00 0.00 66.41 66.32 3hqw h THR 729 Cb 0.89 1.82 -0.04 0.00 -1.74 0.00 0.00 68.15 69.08 3hqw h THR 729 CO 0.05 0.23 0.53 0.74 0.37 0.00 0.00 175.52 177.43 3hqw h THR 730 N -0.31 1.25 -0.68 3.16 2.02 -1.06 -1.83 112.91 115.46 3hqw h THR 730 Ca 0.01 -0.58 -0.03 0.00 0.77 0.00 0.00 66.41 66.58 3hqw h THR 730 Cb 0.37 -0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 66.74 3hqw h THR 730 CO 0.00 0.27 0.31 0.25 0.37 0.00 0.00 175.52 176.73 3hqw h LEU 731 N 1.26 0.91 -0.92 2.58 5.85 -1.04 -2.64 115.31 121.30 3hqw h LEU 731 Ca 0.32 -0.14 -0.11 0.00 0.84 0.00 0.00 57.88 58.79 3hqw h LEU 731 Cb -0.03 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.76 3hqw h LEU 731 CO -0.06 0.80 -0.41 0.74 -0.34 0.00 0.00 178.44 179.17 3hqw h THR 732 N 0.96 1.31 -0.82 1.05 2.02 -0.85 0.22 112.91 116.80 3hqw h THR 732 Ca 0.23 -1.53 -0.03 0.00 0.77 0.00 0.00 66.41 65.86 3hqw h THR 732 Cb 0.14 1.68 -0.04 0.00 -1.74 0.00 0.00 68.15 68.19 3hqw h THR 732 CO -0.03 0.46 0.40 1.56 0.37 0.00 0.00 175.52 178.28 3hqw h GLN 733 N 0.22 1.18 0.21 6.66 4.20 -1.04 -2.21 115.11 124.33 3hqw h GLN 733 Ca 0.02 -0.17 -0.35 0.00 0.06 0.00 0.00 58.65 58.22 3hqw h GLN 733 Cb 0.83 -0.22 0.02 0.00 0.30 0.00 0.00 27.48 28.41 3hqw h GLN 733 CO 0.07 0.90 -1.66 0.82 -0.67 0.00 0.00 178.83 178.29 3hqw h ILE 734 N 1.17 1.06 -2.87 2.54 2.04 -1.20 -3.41 117.51 116.84 3hqw h ILE 734 Ca 0.28 -2.59 -0.61 0.00 1.00 0.00 0.00 64.86 62.94 3hqw h ILE 734 Cb 0.11 2.86 -0.40 0.00 -0.74 0.00 0.00 36.82 38.64 3hqw h ILE 734 CO -0.04 0.84 -0.73 -0.76 0.00 0.00 0.00 178.15 177.47 3hqw s LEU 735 N -7.38 3.31 0.37 1.44 1.43 0.76 -5.02 118.68 113.59 3hqw s LEU 735 Ca -0.13 -3.30 0.15 0.00 -1.03 0.00 0.00 54.13 49.82 3hqw s LEU 735 Cb 0.05 -1.15 1.02 0.00 0.03 0.00 0.00 46.19 46.14 3hqw s LEU 735 CO 0.89 -0.16 1.75 -0.65 0.23 0.00 0.00 176.35 178.41 3hqw h PRO 736 N 5.83 0.46 0.00 1.29 0.11 -1.62 -1.07 132.00 136.99 3hqw h PRO 736 Ca 0.13 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.22 3hqw h PRO 736 Cb 0.85 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.85 3hqw h PRO 736 CO 0.56 0.30 0.00 -2.30 -0.21 0.00 0.00 178.00 176.35 3hqw n PRO 737 N -4.72 0.00 -0.03 1.05 -0.02 -1.26 -1.95 135.00 128.07 3hqw n PRO 737 Ca 0.26 0.44 0.10 0.00 -2.02 0.00 0.00 63.50 62.28 3hqw n PRO 737 Cb 0.83 -1.50 0.51 0.00 -0.02 0.00 0.00 33.50 33.32 3hqw n PRO 737 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3hqw n THR 738 N -1.49 0.07 -0.33 3.45 -2.24 -0.41 -4.42 114.28 108.92 3hqw n THR 738 Ca 0.01 -0.13 0.22 0.00 -2.27 0.00 0.00 64.05 61.88 3hqw n THR 738 Cb 0.03 -0.04 0.44 0.00 -2.10 0.00 0.00 70.33 68.67 3hqw n THR 738 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3hqw h GLU 739 N 0.88 0.28 -0.56 -0.78 4.57 -1.59 -0.77 114.58 116.60 3hqw h GLU 739 Ca 0.00 -0.02 0.15 0.00 -1.18 0.00 0.00 59.36 58.32 3hqw h GLU 739 Cb 0.19 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.69 3hqw h GLU 739 CO 0.00 0.18 0.40 -1.35 -1.18 0.00 0.00 179.01 177.07 3hqw h PRO 740 N 0.29 0.05 -0.17 0.92 0.11 -1.88 -0.64 132.00 130.68 3hqw h PRO 740 Ca 0.71 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.79 3hqw h PRO 740 Cb 1.59 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.68 3hqw h PRO 740 CO -0.63 0.04 0.02 -0.07 -0.21 0.00 0.00 178.00 177.15 3hqw h LEU 741 N 0.06 0.27 -0.54 2.35 3.38 -1.48 -1.61 115.31 117.73 3hqw h LEU 741 Ca 0.27 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3hqw h LEU 741 Cb 1.00 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 3hqw h LEU 741 CO -0.02 0.48 0.26 0.25 0.09 0.00 0.00 178.44 179.50 3hqw h LEU 742 N 0.05 0.71 -0.40 1.67 5.85 -1.35 -1.48 115.31 120.36 3hqw h LEU 742 Ca 0.05 -0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.67 3hqw h LEU 742 Cb 0.33 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 3hqw h LEU 742 CO 0.00 0.64 0.22 0.50 -0.34 0.00 0.00 178.44 179.46 3hqw h LYS 743 N 0.73 0.43 -0.42 1.25 3.64 -1.10 -0.41 116.57 120.68 3hqw h LYS 743 Ca 0.19 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.47 3hqw h LYS 743 Cb 0.12 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 3hqw h LYS 743 CO -0.02 0.28 -0.03 0.00 -2.27 0.00 0.00 179.45 177.41 3hqw h ALA 744 N 1.20 1.16 -0.22 5.00 0.00 -1.12 -1.64 119.26 123.64 3hqw h ALA 744 Ca 0.17 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3hqw h ALA 744 Cb 0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3hqw h ALA 744 CO -0.10 0.54 0.06 0.00 0.00 0.00 0.00 179.25 179.75 3hqw h ARG 746 N 0.17 1.18 -0.84 0.00 3.08 -0.82 -0.80 114.38 116.35 3hqw h ARG 746 Ca 0.07 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 3hqw h ARG 746 Cb 0.25 -0.27 -0.04 0.00 0.08 0.00 0.00 29.97 29.99 3hqw h ARG 746 CO -0.00 0.78 0.43 -0.44 -1.07 0.00 0.00 179.97 179.66 3hqw h ASP 747 N 1.21 1.07 -0.17 7.04 3.32 -1.00 -1.73 116.42 126.16 3hqw h ASP 747 Ca 0.36 -0.11 -0.15 0.00 0.02 0.00 0.00 57.03 57.15 3hqw h ASP 747 Cb -0.05 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.22 3hqw h ASP 747 CO -0.11 0.89 -0.43 0.78 -1.72 0.00 0.00 179.24 178.65 3hqw h ASN 748 N 1.19 0.78 -0.47 6.45 2.35 -0.73 -1.63 115.58 123.52 3hqw h ASN 748 Ca 0.29 -0.37 0.05 0.00 -0.55 0.00 0.00 56.30 55.72 3hqw h ASN 748 Cb 0.08 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 38.18 3hqw h ASN 748 CO -0.04 1.10 0.21 0.25 -1.65 0.00 0.00 177.43 177.30 3hqw h LEU 749 N 0.58 0.28 -1.11 1.61 5.85 -0.84 -1.06 115.31 120.63 3hqw h LEU 749 Ca 0.04 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.82 3hqw h LEU 749 Cb 0.98 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.95 3hqw h LEU 749 CO 0.09 0.20 0.60 0.78 -0.34 0.00 0.00 178.44 179.78 3hqw h ASN 750 N 0.42 1.01 -0.60 1.25 -0.26 -1.09 -0.88 115.58 115.43 3hqw h ASN 750 Ca 0.21 -0.02 -0.04 0.00 -0.56 0.00 0.00 56.30 55.90 3hqw h ASN 750 Cb 0.15 -0.24 -0.03 0.00 -1.06 0.00 0.00 38.32 37.15 3hqw h ASN 750 CO -0.17 0.71 0.23 1.56 -1.06 0.00 0.00 177.43 178.69 3hqw h GLN 751 N 1.18 0.91 -0.35 0.81 1.08 -0.55 -0.94 115.11 117.25 3hqw h GLN 751 Ca 0.36 -0.17 -0.10 0.00 -1.45 0.00 0.00 58.65 57.28 3hqw h GLN 751 Cb -0.03 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.24 3hqw h GLN 751 CO -0.10 0.78 -0.19 -1.49 -0.95 0.00 0.00 178.83 176.88 3hqw h TRP 752 N 0.84 0.74 -0.75 2.96 4.06 -0.67 -1.24 115.95 121.89 3hqw h TRP 752 Ca 0.20 -0.15 -0.02 0.00 2.06 0.00 0.00 58.89 60.98 3hqw h TRP 752 Cb 0.23 -0.18 -0.04 0.00 -1.00 0.00 0.00 29.16 28.17 3hqw h TRP 752 CO 0.01 0.80 0.38 0.93 -3.56 0.00 0.00 178.44 177.01 3hqw h GLU 753 N 0.59 1.05 -0.54 0.49 5.08 -0.90 -2.28 114.58 118.07 3hqw h GLU 753 Ca 0.09 -0.13 -0.08 0.00 -1.00 0.00 0.00 59.36 58.23 3hqw h GLU 753 Cb 0.65 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 3hqw h GLU 753 CO 0.05 0.79 0.00 -0.22 -1.00 0.00 0.00 179.01 178.63 3hqw h LYS 754 N 1.05 0.92 -0.49 2.33 3.64 -0.55 -1.23 116.57 122.24 3hqw h LYS 754 Ca 0.26 -0.27 0.03 0.00 -1.27 0.00 0.00 60.65 59.40 3hqw h LYS 754 Cb 0.07 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 3hqw h LYS 754 CO -0.04 0.92 0.28 0.28 -2.27 0.00 0.00 179.45 178.62 3hqw h VAL 755 N 0.85 1.04 -0.63 2.00 2.07 -0.78 -2.49 116.25 118.31 3hqw h VAL 755 Ca 0.16 -0.19 -0.04 0.00 0.82 0.00 0.00 66.70 67.44 3hqw h VAL 755 Cb 0.50 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 3hqw h VAL 755 CO 0.02 0.10 0.23 0.40 0.02 0.00 0.00 177.57 178.35 3hqw h ILE 756 N 0.57 1.24 0.00 4.57 2.04 -1.07 -3.52 117.51 121.33 3hqw h ILE 756 Ca 0.20 -0.77 0.00 0.00 1.00 0.00 0.00 64.86 65.29 3hqw h ILE 756 Cb 0.03 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 3hqw h ILE 756 CO -0.10 0.30 0.00 0.54 0.00 0.00 0.00 178.15 178.89