#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mtt n ASP 437 N 0.00 3.04 -4.71 4.31 2.03 -1.26 -4.65 116.55 115.31 3mtt n ASP 437 Ca 0.00 -1.97 -0.42 0.00 0.52 0.00 0.00 54.79 52.92 3mtt n ASP 437 Cb 0.00 -0.07 -0.03 0.00 -0.72 0.00 0.00 41.12 40.30 3mtt n ASP 437 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 3mtt s SER 438 N -1.85 6.49 0.26 1.67 0.01 -1.26 -4.87 113.70 114.15 3mtt s SER 438 Ca 0.32 2.71 -0.01 0.00 1.31 0.00 0.00 55.95 60.28 3mtt s SER 438 Cb 0.21 -2.59 0.52 0.00 0.21 0.00 0.00 66.02 64.37 3mtt s SER 438 CO 0.31 -0.92 1.77 0.58 0.41 0.00 0.00 173.24 175.39 3mtt h VAL 439 N 4.16 0.75 -0.61 3.43 2.07 -1.99 0.37 116.25 124.42 3mtt h VAL 439 Ca -0.43 -0.22 0.01 0.00 0.82 0.00 0.00 66.70 66.87 3mtt h VAL 439 Cb 1.20 0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 3mtt h VAL 439 CO 0.94 0.12 0.40 -0.08 0.02 0.00 0.00 177.57 178.97 3mtt h GLU 440 N 0.64 0.81 -0.32 1.57 4.57 -1.98 0.32 114.58 120.19 3mtt h GLU 440 Ca 0.46 -0.05 -0.18 0.00 -1.18 0.00 0.00 59.36 58.41 3mtt h GLU 440 Cb 0.62 -0.18 -0.00 0.00 -0.16 0.00 0.00 28.75 29.03 3mtt h GLU 440 CO -0.35 0.54 -0.49 0.00 -1.18 0.00 0.00 179.01 177.53 3mtt h ALA 441 N 1.61 0.51 0.29 2.92 0.00 -0.75 0.13 119.26 123.97 3mtt h ALA 441 Ca 0.22 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 3mtt h ALA 441 Cb -0.09 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3mtt h ALA 441 CO -0.05 0.68 -0.14 0.28 0.00 0.00 0.00 179.25 180.03 3mtt h VAL 442 N 0.70 0.75 -0.59 0.00 2.07 -0.48 -1.98 116.25 116.72 3mtt h VAL 442 Ca 0.03 -0.50 0.13 0.00 0.82 0.00 0.00 66.70 67.18 3mtt h VAL 442 Cb 1.10 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.85 3mtt h VAL 442 CO 0.11 0.10 0.41 1.23 0.02 0.00 0.00 177.57 179.44 3mtt h GLY 443 N -0.65 0.38 1.33 2.17 0.00 -0.97 0.13 103.07 105.46 3mtt h GLY 443 Ca -0.04 -0.10 -0.08 0.00 0.00 0.00 0.00 47.33 47.11 3mtt h GLY 443 CO 0.06 0.05 -0.01 0.00 0.00 0.00 0.00 176.54 176.64 3mtt h ALA 444 N 1.71 1.07 -0.22 3.60 0.00 -0.73 -2.28 119.26 122.42 3mtt h ALA 444 Ca 0.28 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 3mtt h ALA 444 Cb 0.77 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 3mtt h ALA 444 CO -0.06 0.58 -0.33 0.37 0.00 0.00 0.00 179.25 179.82 3mtt h GLN 445 N 0.75 0.61 -0.18 0.00 5.75 -0.07 -3.14 115.11 118.82 3mtt h GLN 445 Ca 0.14 -0.36 0.05 0.00 -0.15 0.00 0.00 58.65 58.34 3mtt h GLN 445 Cb 0.47 0.03 -0.06 0.00 1.07 0.00 0.00 27.48 28.99 3mtt h GLN 445 CO 0.02 0.97 -0.26 1.25 -2.65 0.00 0.00 178.83 178.16 3mtt h LEU 446 N 0.30 -0.82 -0.89 -2.39 5.85 -0.85 -1.28 115.31 115.24 3mtt h LEU 446 Ca 0.02 0.13 0.20 0.00 0.84 0.00 0.00 57.88 59.07 3mtt h LEU 446 Cb 0.91 0.37 -0.11 0.00 0.37 0.00 0.00 40.66 42.19 3mtt h LEU 446 CO 0.08 -0.30 0.42 0.50 -0.34 0.00 0.00 178.44 178.80 3mtt h LYS 447 N -0.30 0.48 -0.16 1.25 3.64 -1.46 0.50 116.57 120.52 3mtt h LYS 447 Ca 0.12 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 3mtt h LYS 447 Cb 0.48 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 3mtt h LYS 447 CO -0.35 0.31 0.07 0.28 -2.27 0.00 0.00 179.45 177.49 3mtt h VAL 448 N 0.49 1.15 -0.19 2.00 2.07 -1.21 -1.84 116.25 118.71 3mtt h VAL 448 Ca 0.53 -0.43 -0.08 0.00 0.82 0.00 0.00 66.70 67.54 3mtt h VAL 448 Cb 0.93 1.15 -0.00 0.00 -1.52 0.00 0.00 31.29 31.84 3mtt h VAL 448 CO -0.47 0.14 -0.19 1.88 0.02 0.00 0.00 177.57 178.95 3mtt h TYR 449 N 0.10 0.56 -0.66 1.57 0.05 -0.76 -2.19 116.97 115.65 3mtt h TYR 449 Ca 0.05 -0.17 0.09 0.00 0.05 0.00 0.00 58.73 58.75 3mtt h TYR 449 Cb 0.16 -0.12 -0.07 0.00 1.01 0.00 0.00 36.73 37.71 3mtt h TYR 449 CO -0.02 0.83 0.31 1.25 -1.05 0.00 0.00 178.16 179.47 3mtt h HIS 450 N 0.14 0.55 0.77 4.88 2.76 -0.91 0.23 115.15 123.56 3mtt h HIS 450 Ca 0.03 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.19 3mtt h HIS 450 Cb 0.73 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 29.55 3mtt h HIS 450 CO 0.08 0.19 -0.39 0.37 -1.30 0.00 0.00 177.93 176.87 3mtt h GLN 451 N 0.53 -1.02 -0.90 5.26 5.75 -1.27 0.20 115.11 123.66 3mtt h GLN 451 Ca 0.33 0.07 0.22 0.00 -0.15 0.00 0.00 58.65 59.12 3mtt h GLN 451 Cb 0.35 0.23 -0.16 0.00 1.07 0.00 0.00 27.48 28.97 3mtt h GLN 451 CO -0.27 -0.68 0.01 1.96 -2.65 0.00 0.00 178.83 177.19 3mtt h GLN 452 N -1.06 0.06 0.15 1.69 4.20 -0.98 0.01 115.11 119.18 3mtt h GLN 452 Ca -0.10 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.60 3mtt h GLN 452 Cb 0.83 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.60 3mtt h GLN 452 CO 0.15 0.04 -0.07 -0.92 -0.67 0.00 0.00 178.83 177.36 3mtt h TYR 453 N 0.06 -0.19 -0.68 2.96 5.03 0.05 0.11 116.97 124.30 3mtt h TYR 453 Ca 0.52 -0.00 0.03 0.00 2.58 0.00 0.00 58.73 61.85 3mtt h TYR 453 Cb 0.99 0.06 -0.04 0.00 1.55 0.00 0.00 36.73 39.29 3mtt h TYR 453 CO -0.48 -0.07 0.42 1.96 -1.32 0.00 0.00 178.16 178.67 3mtt h GLN 454 N -0.26 0.80 -0.13 1.82 4.20 0.06 0.99 115.11 122.59 3mtt h GLN 454 Ca -0.02 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 3mtt h GLN 454 Cb 0.20 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 3mtt h GLN 454 CO 0.03 0.53 0.04 -0.44 -0.67 0.00 0.00 178.83 178.33 3mtt h ASP 455 N 0.83 0.19 -0.72 1.46 3.32 -0.82 0.42 116.42 121.09 3mtt h ASP 455 Ca 0.28 -0.21 0.09 0.00 0.02 0.00 0.00 57.03 57.21 3mtt h ASP 455 Cb 0.03 -0.05 -0.05 0.00 0.22 0.00 0.00 39.33 39.48 3mtt h ASP 455 CO -0.11 0.35 0.47 0.50 -1.72 0.00 0.00 179.24 178.73 3mtt h LYS 456 N 0.02 0.63 -0.09 3.56 1.63 -0.58 -0.92 116.57 120.83 3mtt h LYS 456 Ca 0.04 -0.04 -0.05 0.00 -0.85 0.00 0.00 60.65 59.75 3mtt h LYS 456 Cb 0.23 -0.14 -0.00 0.00 -0.60 0.00 0.00 32.23 31.72 3mtt h LYS 456 CO -0.00 0.42 -0.16 1.03 -3.45 0.00 0.00 179.45 177.29 3mtt h SER 457 N 0.65 0.30 -0.26 4.20 0.87 -0.03 -2.47 113.55 116.81 3mtt h SER 457 Ca 0.33 -0.54 0.02 0.00 -1.23 0.00 0.00 61.79 60.36 3mtt h SER 457 Cb 0.42 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.27 3mtt h SER 457 CO -0.11 0.78 0.13 0.03 -0.53 0.00 0.00 176.83 177.13 3mtt h ARG 458 N -0.18 0.27 -0.86 2.24 3.08 0.22 -1.26 114.38 117.89 3mtt h ARG 458 Ca 0.01 -0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.09 3mtt h ARG 458 Cb 0.72 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.66 3mtt h ARG 458 CO 0.04 0.18 0.56 0.93 -1.07 0.00 0.00 179.97 180.60 3mtt h GLU 459 N 0.27 0.97 -0.43 0.04 5.08 -1.23 -0.16 114.58 119.12 3mtt h GLU 459 Ca 0.11 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 3mtt h GLU 459 Cb 0.03 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 3mtt h GLU 459 CO -0.07 0.64 0.14 -0.92 -1.00 0.00 0.00 179.01 177.80 3mtt h TYR 460 N 0.99 0.69 -0.46 4.33 3.20 -0.91 -2.19 116.97 122.63 3mtt h TYR 460 Ca 0.36 -0.07 0.02 0.00 3.14 0.00 0.00 58.73 62.18 3mtt h TYR 460 Cb 0.15 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.19 3mtt h TYR 460 CO -0.00 0.62 0.27 -0.44 -1.64 0.00 0.00 178.16 176.97 3mtt h ASP 461 N 0.55 0.44 -0.71 -2.11 3.32 -0.18 -0.66 116.42 117.06 3mtt h ASP 461 Ca 0.14 0.00 0.11 0.00 0.02 0.00 0.00 57.03 57.30 3mtt h ASP 461 Cb 0.25 -0.09 -0.08 0.00 0.22 0.00 0.00 39.33 39.64 3mtt h ASP 461 CO -0.01 0.31 0.32 1.56 -1.72 0.00 0.00 179.24 179.70 3mtt h GLN 462 N 0.55 0.50 -0.54 3.56 1.08 -0.90 -1.75 115.11 117.61 3mtt h GLN 462 Ca 0.18 -0.03 -0.07 0.00 -1.45 0.00 0.00 58.65 57.29 3mtt h GLN 462 Cb 0.01 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.31 3mtt h GLN 462 CO -0.08 0.33 0.07 -0.07 -0.95 0.00 0.00 178.83 178.13 3mtt h LEU 463 N 0.52 0.87 -1.00 1.46 3.38 -0.77 -2.28 115.31 117.49 3mtt h LEU 463 Ca 0.36 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 3mtt h LEU 463 Cb 0.46 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 3mtt h LEU 463 CO -0.32 0.92 0.18 0.22 0.09 0.00 0.00 178.44 179.53 3mtt h TYR 464 N 0.79 0.93 -0.00 1.13 3.20 -0.38 0.95 116.97 123.58 3mtt h TYR 464 Ca 0.16 -0.08 -0.00 0.00 3.14 0.00 0.00 58.73 61.95 3mtt h TYR 464 Cb 0.43 -0.28 -0.00 0.00 1.54 0.00 0.00 36.73 38.43 3mtt h TYR 464 CO 0.03 0.75 0.00 0.93 -1.64 0.00 0.00 178.16 178.23 3mtt h GLU 465 N 0.88 0.00 -0.85 1.82 5.08 -1.29 -2.11 114.58 118.12 3mtt h GLU 465 Ca 0.20 -0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.66 3mtt h GLU 465 Cb 0.26 -0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.43 3mtt h GLU 465 CO -0.01 0.30 0.49 1.49 -1.00 0.00 0.00 179.01 180.28 3mtt h GLU 466 N -0.29 0.78 -0.04 2.33 4.81 -0.94 0.24 114.58 121.46 3mtt h GLU 466 Ca 0.00 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3mtt h GLU 466 Cb 0.30 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.50 3mtt h GLU 466 CO 0.00 0.51 0.01 -0.92 -0.73 0.00 0.00 179.01 177.89 3mtt h TYR 467 N 0.80 0.06 -0.50 0.92 5.03 -0.73 -0.43 116.97 122.12 3mtt h TYR 467 Ca 0.42 -0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.70 3mtt h TYR 467 Cb 0.42 -0.02 -0.02 0.00 1.55 0.00 0.00 36.73 38.66 3mtt h TYR 467 CO -0.06 0.22 0.23 1.79 -1.32 0.00 0.00 178.16 179.03 3mtt h THR 468 N -0.11 1.20 -0.03 1.81 1.35 -0.82 -0.95 112.91 115.35 3mtt h THR 468 Ca 0.01 -0.57 0.01 0.00 -0.55 0.00 0.00 66.41 65.32 3mtt h THR 468 Cb 0.19 0.64 -0.02 0.00 -1.73 0.00 0.00 68.15 67.23 3mtt h THR 468 CO -0.00 0.22 -0.05 -0.09 -0.25 0.00 0.00 175.52 175.35 3mtt h ARG 469 N 0.67 -0.08 0.00 4.72 1.12 -0.44 -1.75 114.38 118.62 3mtt h ARG 469 Ca 0.17 0.01 -0.04 0.00 -1.11 0.00 0.00 59.98 59.01 3mtt h ARG 469 Cb 0.13 0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 30.10 3mtt h ARG 469 CO -0.02 -0.05 -0.20 1.15 -3.11 0.00 0.00 179.97 177.74 3mtt h THR 470 N -0.08 1.00 0.00 0.20 2.02 -0.95 -0.39 112.91 114.71 3mtt h THR 470 Ca 0.03 -0.71 -0.04 0.00 0.77 0.00 0.00 66.41 66.46 3mtt h THR 470 Cb 0.12 1.40 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 3mtt h THR 470 CO -0.08 0.19 -0.20 -1.28 0.37 0.00 0.00 175.52 174.53 3mtt h SER 471 N 0.00 0.00 0.13 4.18 0.87 -0.61 -0.19 113.55 117.93 3mtt h SER 471 Ca -0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 3mtt h SER 471 Cb 0.38 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.34 3mtt h SER 471 CO 0.03 0.20 -0.06 1.56 -0.53 0.00 0.00 176.83 178.02 3mtt h GLN 472 N 0.00 -0.17 -0.33 2.24 4.20 -0.24 -2.69 115.11 118.11 3mtt h GLN 472 Ca -0.00 0.01 0.10 0.00 0.06 0.00 0.00 58.65 58.82 3mtt h GLN 472 Cb 0.75 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.56 3mtt h GLN 472 CO 0.03 0.13 0.33 0.93 -0.67 0.00 0.00 178.83 179.58 3mtt h GLU 473 N -0.99 0.00 -0.01 1.46 5.08 -1.29 0.43 114.58 119.27 3mtt h GLU 473 Ca -0.02 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.20 3mtt h GLU 473 Cb 0.38 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 3mtt h GLU 473 CO 0.03 0.00 -0.68 1.25 -1.00 0.00 0.00 179.01 178.61 3mtt h LEU 474 N 0.00 0.05 -0.16 1.33 5.85 -1.04 -3.01 115.31 118.33 3mtt h LEU 474 Ca 0.16 -0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.76 3mtt h LEU 474 Cb 0.82 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.83 3mtt h LEU 474 CO -0.00 0.71 -0.22 -0.61 -0.34 0.00 0.00 178.44 177.98 3mtt h GLN 475 N 0.03 0.43 -0.64 1.25 5.75 0.20 -2.71 115.11 119.42 3mtt h GLN 475 Ca -0.01 -0.25 0.10 0.00 -0.15 0.00 0.00 58.65 58.33 3mtt h GLN 475 Cb 1.21 0.02 -0.07 0.00 1.07 0.00 0.00 27.48 29.71 3mtt h GLN 475 CO 0.09 0.84 0.26 0.52 -2.65 0.00 0.00 178.83 177.89 3mtt h MET 476 N 0.06 0.44 -0.36 1.69 2.86 -1.44 -0.15 114.93 118.02 3mtt h MET 476 Ca 0.02 -0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.66 3mtt h MET 476 Cb 0.79 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 32.32 3mtt h MET 476 CO 0.05 0.29 0.18 0.87 1.06 0.00 0.00 176.91 179.36 3mtt h LYS 477 N 0.45 0.36 -0.79 1.72 1.57 -1.48 0.51 116.57 118.91 3mtt h LYS 477 Ca 0.32 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 59.13 3mtt h LYS 477 Cb 0.39 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.56 3mtt h LYS 477 CO -0.30 0.24 0.49 0.00 -0.57 0.00 0.00 179.45 179.31 3mtt h ARG 478 N 0.38 0.89 -0.27 3.15 3.08 -1.01 -0.37 114.38 120.22 3mtt h ARG 478 Ca 0.15 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.11 3mtt h ARG 478 Cb 0.06 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 3mtt h ARG 478 CO -0.11 0.59 0.03 1.15 -1.07 0.00 0.00 179.97 180.57 3mtt h THR 479 N 0.92 1.24 -0.48 2.04 2.02 -0.16 -2.61 112.91 115.88 3mtt h THR 479 Ca 0.34 -0.82 0.08 0.00 0.77 0.00 0.00 66.41 66.77 3mtt h THR 479 Cb 0.11 1.25 -0.06 0.00 -1.74 0.00 0.00 68.15 67.71 3mtt h THR 479 CO -0.15 0.26 0.11 0.00 0.37 0.00 0.00 175.52 176.12 3mtt h ALA 480 N 0.86 0.54 -0.58 6.16 0.00 0.47 -0.94 119.26 125.77 3mtt h ALA 480 Ca 0.08 0.09 0.09 0.00 0.00 0.00 0.00 54.91 55.18 3mtt h ALA 480 Cb 0.36 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.18 3mtt h ALA 480 CO 0.01 -0.29 0.18 0.82 0.00 0.00 0.00 179.25 179.97 3mtt h ILE 481 N 0.26 0.74 -0.57 0.00 2.04 -0.95 0.50 117.51 119.52 3mtt h ILE 481 Ca 0.24 -0.12 0.01 0.00 1.00 0.00 0.00 64.86 65.98 3mtt h ILE 481 Cb 0.29 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 36.71 3mtt h ILE 481 CO -0.29 0.06 0.38 -0.33 0.00 0.00 0.00 178.15 177.97 3mtt h GLU 482 N 0.34 0.75 -0.09 2.37 5.08 -0.91 0.35 114.58 122.47 3mtt h GLU 482 Ca 0.29 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.62 3mtt h GLU 482 Cb 0.38 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 3mtt h GLU 482 CO -0.32 0.50 -0.00 0.00 -1.00 0.00 0.00 179.01 178.18 3mtt h ALA 483 N 1.64 0.07 -0.07 3.43 0.00 0.35 0.11 119.26 124.80 3mtt h ALA 483 Ca 0.21 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3mtt h ALA 483 Cb -0.09 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3mtt h ALA 483 CO -0.04 -0.47 0.03 0.74 0.00 0.00 0.00 179.25 179.51 3mtt h PHE 484 N 0.03 0.06 -0.88 0.00 0.05 -0.49 0.27 116.94 115.96 3mtt h PHE 484 Ca 0.04 0.00 0.16 0.00 3.82 0.00 0.00 57.97 61.99 3mtt h PHE 484 Cb 0.05 -0.02 -0.10 0.00 2.00 0.00 0.00 35.95 37.89 3mtt h PHE 484 CO -0.13 0.03 0.46 -0.91 -0.18 0.00 0.00 178.31 177.59 3mtt h ASN 485 N 0.07 0.56 0.01 2.17 4.21 -0.71 0.27 115.58 122.16 3mtt h ASN 485 Ca 0.03 0.10 -0.00 0.00 1.21 0.00 0.00 56.30 57.63 3mtt h ASN 485 Cb 0.01 0.01 0.00 0.00 -1.12 0.00 0.00 38.32 37.21 3mtt h ASN 485 CO -0.02 0.21 -0.00 -0.08 -1.29 0.00 0.00 177.43 176.25 3mtt h GLU 486 N 0.63 -0.01 0.07 0.81 4.57 -0.25 -1.74 114.58 118.67 3mtt h GLU 486 Ca 0.49 0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.69 3mtt h GLU 486 Cb 0.73 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.27 3mtt h GLU 486 CO -0.38 0.42 -0.45 1.15 -1.18 0.00 0.00 179.01 178.57 3mtt h THR 487 N -0.43 0.12 -0.45 0.32 2.02 0.30 -1.21 112.91 113.58 3mtt h THR 487 Ca -0.00 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.26 3mtt h THR 487 Cb 0.43 0.12 -0.07 0.00 -1.74 0.00 0.00 68.15 66.89 3mtt h THR 487 CO 0.00 0.00 0.02 0.40 0.37 0.00 0.00 175.52 176.32 3mtt h ILE 488 N -0.65 0.68 -0.53 3.11 2.04 -0.55 -0.65 117.51 120.97 3mtt h ILE 488 Ca 0.03 -0.05 0.08 0.00 1.00 0.00 0.00 64.86 65.92 3mtt h ILE 488 Cb 0.69 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 3mtt h ILE 488 CO -0.28 0.03 0.35 0.50 0.00 0.00 0.00 178.15 178.75 3mtt h LYS 489 N 0.14 0.35 0.49 2.37 3.64 -0.94 -1.44 116.57 121.19 3mtt h LYS 489 Ca 0.22 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.56 3mtt h LYS 489 Cb 0.31 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 3mtt h LYS 489 CO -0.35 0.23 -0.23 0.82 -2.27 0.00 0.00 179.45 177.65 3mtt h ILE 490 N 0.36 0.00 -0.97 2.00 2.04 0.09 -2.85 117.51 118.19 3mtt h ILE 490 Ca 0.24 -0.11 0.24 0.00 1.00 0.00 0.00 64.86 66.22 3mtt h ILE 490 Cb 0.47 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.42 3mtt h ILE 490 CO -0.06 0.00 0.53 -0.26 0.00 0.00 0.00 178.15 178.36 3mtt h PHE 491 N -0.77 0.90 -0.69 1.37 0.05 -0.99 0.28 116.94 117.09 3mtt h PHE 491 Ca -0.07 0.04 -0.01 0.00 3.82 0.00 0.00 57.97 61.76 3mtt h PHE 491 Cb 0.50 -0.25 -0.03 0.00 2.00 0.00 0.00 35.95 38.17 3mtt h PHE 491 CO 0.08 0.03 0.41 0.93 -0.18 0.00 0.00 178.31 179.58 3mtt h GLU 492 N 0.53 0.94 -0.46 1.51 5.08 -1.30 0.25 114.58 121.13 3mtt h GLU 492 Ca 0.61 -0.08 -0.09 0.00 -1.00 0.00 0.00 59.36 58.81 3mtt h GLU 492 Cb 1.16 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 30.20 3mtt h GLU 492 CO -0.49 0.66 -0.05 0.93 -1.00 0.00 0.00 179.01 179.07 3mtt h GLU 493 N 0.95 0.85 -0.26 2.33 5.08 -0.23 -0.69 114.58 122.61 3mtt h GLU 493 Ca 0.25 -0.29 0.01 0.00 -1.00 0.00 0.00 59.36 58.33 3mtt h GLU 493 Cb -0.03 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 3mtt h GLU 493 CO -0.05 0.92 0.14 1.96 -1.00 0.00 0.00 179.01 180.99 3mtt h GLN 494 N 0.70 0.29 -0.79 2.33 4.20 -0.60 -2.14 115.11 119.10 3mtt h GLN 494 Ca 0.13 -0.02 0.07 0.00 0.06 0.00 0.00 58.65 58.89 3mtt h GLN 494 Cb 0.57 -0.07 -0.06 0.00 0.30 0.00 0.00 27.48 28.22 3mtt h GLN 494 CO 0.03 0.19 0.47 0.78 -0.67 0.00 0.00 178.83 179.63 3mtt h GLY 495 N 0.30 1.19 0.96 3.46 0.00 -0.31 -1.52 103.07 107.15 3mtt h GLY 495 Ca 0.10 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 3mtt h GLY 495 CO -0.06 0.20 0.20 -1.61 0.00 0.00 0.00 176.54 175.28 3mtt h GLN 496 N 0.84 0.59 -0.14 4.80 5.75 -0.74 -0.85 115.11 125.36 3mtt h GLN 496 Ca 0.35 -0.08 -0.22 0.00 -0.15 0.00 0.00 58.65 58.55 3mtt h GLN 496 Cb 0.22 -0.11 0.01 0.00 1.07 0.00 0.00 27.48 28.67 3mtt h GLN 496 CO -0.19 0.50 -0.79 1.79 -2.65 0.00 0.00 178.83 177.49 3mtt h THR 497 N 0.52 1.29 -0.47 2.39 1.35 -1.11 -1.77 112.91 115.10 3mtt h THR 497 Ca 0.14 -2.00 -0.08 0.00 -0.55 0.00 0.00 66.41 63.92 3mtt h THR 497 Cb 0.10 2.01 -0.02 0.00 -1.73 0.00 0.00 68.15 68.51 3mtt h THR 497 CO -0.02 0.63 -0.04 0.06 -0.25 0.00 0.00 175.52 175.91 3mtt h GLN 498 N 0.51 0.80 0.00 4.72 3.07 -1.26 -1.97 115.11 120.98 3mtt h GLN 498 Ca -0.05 -0.23 -0.04 0.00 0.09 0.00 0.00 58.65 58.41 3mtt h GLN 498 Cb 1.41 -0.08 -0.01 0.00 0.08 0.00 0.00 27.48 28.88 3mtt h GLN 498 CO 0.16 0.83 -0.21 1.49 0.09 0.00 0.00 178.83 181.19 3mtt h GLU 499 N 0.74 0.00 -0.07 0.06 4.81 -1.02 -0.46 114.58 118.64 3mtt h GLU 499 Ca 0.14 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.34 3mtt h GLU 499 Cb 0.50 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.88 3mtt h GLU 499 CO 0.03 0.21 -0.05 -0.22 -0.73 0.00 0.00 179.01 178.25 3mtt h LYS 500 N 0.00 0.16 -0.37 1.92 3.64 -0.57 -2.62 116.57 118.73 3mtt h LYS 500 Ca -0.00 -0.07 -0.17 0.00 -1.27 0.00 0.00 60.65 59.14 3mtt h LYS 500 Cb 0.38 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.20 3mtt h LYS 500 CO 0.03 0.56 -0.41 0.00 -2.27 0.00 0.00 179.45 177.36 3mtt h SER 502 N 0.75 0.21 -0.42 0.00 4.64 -1.13 -3.22 113.55 114.38 3mtt h SER 502 Ca 0.05 -0.01 0.06 0.00 -0.47 0.00 0.00 61.79 61.42 3mtt h SER 502 Cb 1.01 -0.05 -0.05 0.00 -0.31 0.00 0.00 62.40 63.00 3mtt h SER 502 CO 0.10 0.16 0.14 0.50 -0.87 0.00 0.00 176.83 176.85 3mtt h LYS 503 N 0.25 0.28 0.66 4.77 3.64 -1.33 0.62 116.57 125.45 3mtt h LYS 503 Ca 0.07 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.40 3mtt h LYS 503 Cb -0.03 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 31.74 3mtt h LYS 503 CO -0.01 0.19 -0.31 1.49 -2.27 0.00 0.00 179.45 178.53 3mtt h GLU 504 N 0.29 -0.85 -0.16 1.90 4.81 -1.72 -0.90 114.58 117.95 3mtt h GLU 504 Ca 0.20 0.06 0.03 0.00 -0.13 0.00 0.00 59.36 59.51 3mtt h GLU 504 Cb 0.20 0.19 -0.05 0.00 0.63 0.00 0.00 28.75 29.72 3mtt h GLU 504 CO -0.22 -0.57 -0.43 1.88 -0.73 0.00 0.00 179.01 178.95 3mtt h TYR 505 N -0.91 -1.28 -0.45 0.92 -1.99 -1.64 -2.26 116.97 109.35 3mtt h TYR 505 Ca -0.09 0.05 0.09 0.00 2.00 0.00 0.00 58.73 60.78 3mtt h TYR 505 Cb 0.67 0.58 -0.10 0.00 2.00 0.00 0.00 36.73 39.89 3mtt h TYR 505 CO 0.07 -0.42 -0.29 1.25 -0.00 0.00 0.00 178.16 178.78 3mtt h LEU 506 N -0.42 -0.97 -1.86 3.88 5.85 0.19 0.49 115.31 122.48 3mtt h LEU 506 Ca 0.03 0.19 0.11 0.00 0.84 0.00 0.00 57.88 59.05 3mtt h LEU 506 Cb 0.51 0.48 -0.02 0.00 0.37 0.00 0.00 40.66 42.00 3mtt h LEU 506 CO -0.37 -0.29 0.33 -0.08 -0.34 0.00 0.00 178.44 177.69 3mtt h GLU 507 N -0.19 0.15 0.01 1.25 4.81 -0.93 -0.77 114.58 118.91 3mtt h GLU 507 Ca 0.20 -0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.28 3mtt h GLU 507 Cb 0.52 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.84 3mtt h GLU 507 CO -0.56 0.10 -0.77 -0.09 -0.73 0.00 0.00 179.01 176.96 3mtt h ARG 508 N 0.15 0.03 -0.57 1.92 2.43 -0.21 -3.30 114.38 114.83 3mtt h ARG 508 Ca 0.22 -0.05 0.16 0.00 -0.81 0.00 0.00 59.98 59.51 3mtt h ARG 508 Cb 0.69 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.23 3mtt h ARG 508 CO -0.03 1.02 0.47 0.74 -1.51 0.00 0.00 179.97 180.66 3mtt h PHE 509 N -0.93 0.00 -0.70 2.20 0.04 0.10 -0.42 116.94 117.23 3mtt h PHE 509 Ca -0.20 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.54 3mtt h PHE 509 Cb 1.23 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.35 3mtt h PHE 509 CO 0.17 0.00 0.34 -0.09 -0.60 0.00 0.00 178.31 178.14 3mtt h ARG 510 N 0.00 1.00 -0.03 1.51 2.43 -1.22 0.18 114.38 118.26 3mtt h ARG 510 Ca 0.27 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 3mtt h ARG 510 Cb 1.21 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.57 3mtt h ARG 510 CO -0.00 0.79 0.00 2.89 -1.51 0.00 0.00 179.97 182.13 3mtt n ARG 511 N -4.44 2.09 0.02 0.20 1.85 -0.26 -4.53 116.66 111.58 3mtt n ARG 511 Ca 0.06 -1.58 -0.19 0.00 -1.00 0.00 0.00 57.85 55.14 3mtt n ARG 511 Cb 0.13 -1.47 -0.10 0.00 -1.05 0.00 0.00 32.46 29.97 3mtt n ARG 511 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 3mtt h GLU 512 N 3.84 0.58 -4.40 2.89 5.08 -1.11 -3.48 114.58 117.98 3mtt h GLU 512 Ca 0.00 -0.60 -0.63 0.00 -1.00 0.00 0.00 59.36 57.14 3mtt h GLU 512 Cb 0.82 0.16 -0.39 0.00 0.50 0.00 0.00 28.75 29.84 3mtt h GLU 512 CO 0.00 1.21 -0.77 0.20 -1.00 0.00 0.00 179.01 178.65 3mtt s GLY 513 N -4.17 1.44 -0.50 -3.84 0.00 -1.26 -5.11 107.32 93.89 3mtt s GLY 513 Ca -0.11 -1.68 -0.29 0.00 0.00 0.00 0.00 44.72 42.64 3mtt s GLY 513 CO 0.87 0.96 1.15 0.21 0.00 0.00 0.00 173.10 176.29 3mtt s ASN 514 N 1.28 6.59 0.00 1.64 3.84 0.62 -4.93 114.94 123.99 3mtt s ASN 514 Ca -0.01 0.39 -0.25 0.00 0.21 0.00 0.00 52.86 53.20 3mtt s ASN 514 Cb -0.19 -2.55 -0.15 0.00 -0.55 0.00 0.00 41.25 37.81 3mtt s ASN 514 CO -0.09 -1.30 1.12 -0.08 -2.79 0.00 0.00 177.10 173.97 3mtt h GLU 515 N 9.29 -0.59 -0.80 0.43 4.57 -1.97 -3.06 114.58 122.46 3mtt h GLU 515 Ca -0.23 0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 57.98 3mtt h GLU 515 Cb 1.06 0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 29.74 3mtt h GLU 515 CO 1.14 -0.28 0.47 0.87 -1.18 0.00 0.00 179.01 180.02 3mtt h LYS 516 N -0.97 1.08 0.24 1.92 1.57 -1.98 0.77 116.57 119.20 3mtt h LYS 516 Ca -0.06 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 3mtt h LYS 516 Cb 0.58 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.66 3mtt h LYS 516 CO 0.10 0.77 -0.12 1.49 -0.57 0.00 0.00 179.45 181.13 3mtt h GLU 517 N 1.10 -0.31 0.00 3.15 4.57 -1.99 -2.35 114.58 118.75 3mtt h GLU 517 Ca 0.28 0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.48 3mtt h GLU 517 Cb -0.03 0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 28.63 3mtt h GLU 517 CO -0.05 -0.02 -0.01 0.00 -1.18 0.00 0.00 179.01 177.75 3mtt h MET 518 N -0.60 0.00 0.24 1.92 -0.00 -1.44 -2.92 114.93 112.12 3mtt h MET 518 Ca -0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.66 3mtt h MET 518 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.04 3mtt h MET 518 CO 0.05 0.01 -0.11 0.37 -0.00 0.00 0.00 176.91 177.23 3mtt h GLN 519 N 0.00 -0.30 -0.81 -0.10 5.75 -0.69 -2.73 115.11 116.22 3mtt h GLN 519 Ca -0.00 0.02 0.16 0.00 -0.15 0.00 0.00 58.65 58.68 3mtt h GLN 519 Cb 0.71 0.07 -0.15 0.00 1.07 0.00 0.00 27.48 29.18 3mtt h GLN 519 CO 0.00 -0.13 -0.21 -0.09 -2.65 0.00 0.00 178.83 175.74 3mtt h ARG 520 N -0.41 -0.01 -0.51 1.69 2.43 -1.23 -0.67 114.38 115.68 3mtt h ARG 520 Ca -0.03 0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.21 3mtt h ARG 520 Cb 0.31 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.81 3mtt h ARG 520 CO 0.05 -0.00 0.19 0.82 -1.51 0.00 0.00 179.97 179.52 3mtt h ILE 521 N -0.01 0.84 -0.19 1.20 2.04 -1.46 -1.70 117.51 118.24 3mtt h ILE 521 Ca 0.38 -0.13 -0.12 0.00 1.00 0.00 0.00 64.86 66.00 3mtt h ILE 521 Cb 0.59 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 3mtt h ILE 521 CO -0.84 0.07 -0.40 -0.07 0.00 0.00 0.00 178.15 176.91 3mtt h LEU 522 N 0.37 0.46 -1.23 1.44 3.38 -0.98 -2.85 115.31 115.89 3mtt h LEU 522 Ca 0.24 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 3mtt h LEU 522 Cb 0.25 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3mtt h LEU 522 CO -0.24 0.81 -0.02 -0.07 0.09 0.00 0.00 178.44 179.01 3mtt h LEU 523 N 0.36 0.47 0.60 1.67 -0.00 -0.35 -1.56 115.31 116.51 3mtt h LEU 523 Ca 0.03 -0.09 -0.03 0.00 -0.00 0.00 0.00 57.88 57.79 3mtt h LEU 523 Cb 0.86 -0.12 0.01 0.00 -0.00 0.00 0.00 40.66 41.40 3mtt h LEU 523 CO 0.07 0.56 -0.29 0.78 -0.00 0.00 0.00 178.44 179.56 3mtt h ASN 524 N 0.48 -0.69 -0.98 -0.43 2.35 -1.12 -2.69 115.58 112.50 3mtt h ASN 524 Ca 0.10 0.00 0.24 0.00 -0.55 0.00 0.00 56.30 56.10 3mtt h ASN 524 Cb 0.34 0.18 -0.07 0.00 0.05 0.00 0.00 38.32 38.81 3mtt h ASN 524 CO 0.01 -0.29 0.65 0.77 -1.65 0.00 0.00 177.43 176.92 3mtt h SER 525 N -1.19 0.37 0.27 5.81 4.64 -1.47 -1.72 113.55 120.27 3mtt h SER 525 Ca -0.08 0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.28 3mtt h SER 525 Cb 0.64 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 3mtt h SER 525 CO 0.14 0.11 -0.13 -0.08 -0.87 0.00 0.00 176.83 176.00 3mtt h GLU 526 N 0.35 -0.35 -0.97 4.77 4.57 -1.23 -0.03 114.58 121.69 3mtt h GLU 526 Ca 0.53 0.02 0.23 0.00 -1.18 0.00 0.00 59.36 58.97 3mtt h GLU 526 Cb 1.42 0.08 -0.08 0.00 -0.16 0.00 0.00 28.75 30.01 3mtt h GLU 526 CO -0.21 -0.23 0.64 0.07 -1.18 0.00 0.00 179.01 178.10 3mtt h ARG 527 N -0.49 0.38 0.20 1.92 0.11 -1.30 0.25 114.38 115.45 3mtt h ARG 527 Ca -0.04 -0.02 -0.01 0.00 0.10 0.00 0.00 59.98 60.01 3mtt h ARG 527 Cb 0.28 -0.09 0.00 0.00 1.11 0.00 0.00 29.97 31.27 3mtt h ARG 527 CO 0.06 0.25 -0.10 1.25 0.10 0.00 0.00 179.97 181.54 3mtt h LEU 528 N 0.39 -0.23 -1.59 0.08 7.12 -1.27 -0.28 115.31 119.54 3mtt h LEU 528 Ca 0.53 -0.11 0.00 0.00 0.13 0.00 0.00 57.88 58.42 3mtt h LEU 528 Cb 1.35 0.06 0.00 0.00 -0.53 0.00 0.00 40.66 41.54 3mtt h LEU 528 CO -0.22 -0.02 0.00 0.50 -0.13 0.00 0.00 178.44 178.57 3mtt h LYS 529 N -0.42 0.00 -0.02 1.25 3.64 0.11 -0.26 116.57 120.86 3mtt h LYS 529 Ca -0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3mtt h LYS 529 Cb 0.33 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 3mtt h LYS 529 CO 0.04 0.00 -0.07 0.45 -2.27 0.00 0.00 179.45 177.61 3mtt n SER 530 N -2.95 2.00 -0.08 4.20 2.88 0.66 -0.88 113.62 119.46 3mtt n SER 530 Ca 0.00 -1.60 -0.21 0.00 -1.33 0.00 0.00 58.87 55.72 3mtt n SER 530 Cb 0.25 0.06 -0.12 0.00 -0.75 0.00 0.00 64.21 63.65 3mtt n SER 530 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 3mtt h ARG 531 N 3.04 0.06 0.94 -1.46 9.65 0.65 -3.28 114.38 123.99 3mtt h ARG 531 Ca 0.00 -0.11 -0.05 0.00 -1.10 0.00 0.00 59.98 58.73 3mtt h ARG 531 Cb 0.69 0.04 0.01 0.00 -1.39 0.00 0.00 29.97 29.32 3mtt h ARG 531 CO 0.00 1.05 -0.45 0.82 2.80 0.00 0.00 179.97 184.19 3mtt h ILE 532 N -0.78 0.00 -0.50 1.20 2.04 -1.33 -0.85 117.51 117.28 3mtt h ILE 532 Ca -0.34 -0.03 0.15 0.00 1.00 0.00 0.00 64.86 65.64 3mtt h ILE 532 Cb 1.44 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 3mtt h ILE 532 CO -0.13 0.00 0.54 0.00 0.00 0.00 0.00 178.15 178.56 3mtt h ALA 533 N -1.39 2.24 0.08 1.87 0.00 -1.23 0.19 119.26 121.02 3mtt h ALA 533 Ca -0.13 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.59 3mtt h ALA 533 Cb 0.97 0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.82 3mtt h ALA 533 CO 0.21 -0.80 -0.73 1.49 0.00 0.00 0.00 179.25 179.42 3mtt h GLU 534 N 0.00 0.36 -0.28 0.00 4.22 -1.52 -3.24 114.58 114.12 3mtt h GLU 534 Ca 0.24 -0.49 -0.06 0.00 0.08 0.00 0.00 59.36 59.13 3mtt h GLU 534 Cb 1.33 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.73 3mtt h GLU 534 CO -0.00 1.18 -0.05 0.82 -2.18 0.00 0.00 179.01 178.78 3mtt h ILE 535 N -0.23 1.28 -0.88 2.32 2.04 0.69 -2.29 117.51 120.43 3mtt h ILE 535 Ca -0.11 -1.06 0.17 0.00 1.00 0.00 0.00 64.86 64.86 3mtt h ILE 535 Cb 1.50 1.40 -0.10 0.00 -0.74 0.00 0.00 36.82 38.87 3mtt h ILE 535 CO 0.14 0.34 0.45 -0.74 0.00 0.00 0.00 178.15 178.33 3mtt h HIS 536 N 0.30 0.77 -0.05 1.37 2.76 -0.98 0.48 115.15 119.79 3mtt h HIS 536 Ca 0.07 0.04 -0.15 0.00 -2.20 0.00 0.00 60.37 58.13 3mtt h HIS 536 Cb 0.52 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 29.26 3mtt h HIS 536 CO 0.05 0.13 -0.65 1.49 -1.30 0.00 0.00 177.93 177.65 3mtt h GLU 537 N 0.58 0.22 -0.44 5.26 4.22 -1.57 -2.97 114.58 119.88 3mtt h GLU 537 Ca 0.50 -0.16 -0.04 0.00 0.08 0.00 0.00 59.36 59.74 3mtt h GLU 537 Cb 0.79 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 3mtt h GLU 537 CO -0.41 0.79 0.10 1.03 -2.18 0.00 0.00 179.01 178.34 3mtt h SER 538 N 0.15 0.60 0.32 1.04 0.87 0.51 -2.05 113.55 114.99 3mtt h SER 538 Ca -0.01 -0.09 -0.25 0.00 -1.23 0.00 0.00 61.79 60.20 3mtt h SER 538 Cb 1.17 -0.16 0.01 0.00 -0.44 0.00 0.00 62.40 62.98 3mtt h SER 538 CO 0.10 0.61 -1.06 0.08 -0.53 0.00 0.00 176.83 176.02 3mtt h ARG 539 N 0.63 0.45 -0.89 2.24 0.11 -1.30 -3.24 114.38 112.39 3mtt h ARG 539 Ca 0.14 -0.55 0.14 0.00 0.10 0.00 0.00 59.98 59.82 3mtt h ARG 539 Cb 0.25 0.17 -0.07 0.00 1.11 0.00 0.00 29.97 31.43 3mtt h ARG 539 CO -0.00 1.20 0.57 1.15 0.10 0.00 0.00 179.97 182.99 3mtt h THR 540 N 0.23 0.83 0.00 0.08 2.02 -1.22 0.49 112.91 115.34 3mtt h THR 540 Ca -0.11 -0.23 -0.07 0.00 0.77 0.00 0.00 66.41 66.76 3mtt h THR 540 Cb 1.72 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 68.21 3mtt h THR 540 CO 0.19 0.12 -0.36 0.50 0.37 0.00 0.00 175.52 176.35 3mtt h LYS 541 N 0.68 0.00 0.01 6.66 1.63 -1.44 -2.23 116.57 121.88 3mtt h LYS 541 Ca 0.45 0.00 -0.26 0.00 -0.85 0.00 0.00 60.65 59.98 3mtt h LYS 541 Cb 0.73 0.00 0.02 0.00 -0.60 0.00 0.00 32.23 32.38 3mtt h LYS 541 CO -0.20 0.36 -1.04 1.25 -3.45 0.00 0.00 179.45 176.37 3mtt h LEU 542 N 0.00 0.89 -0.36 5.20 5.85 -0.22 -1.93 115.31 124.74 3mtt h LEU 542 Ca -0.00 -0.75 0.01 0.00 0.84 0.00 0.00 57.88 57.98 3mtt h LEU 542 Cb 0.63 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 3mtt h LEU 542 CO 0.05 1.52 0.22 -0.33 -0.34 0.00 0.00 178.44 179.56 3mtt h GLU 543 N 0.35 0.43 -0.75 1.25 5.08 -0.57 0.69 114.58 121.06 3mtt h GLU 543 Ca -0.13 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.22 3mtt h GLU 543 Cb 1.70 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 30.81 3mtt h GLU 543 CO 0.20 0.29 0.49 1.96 -1.00 0.00 0.00 179.01 180.94 3mtt h GLN 544 N 0.45 0.95 0.00 2.33 1.08 -1.47 -1.34 115.11 117.10 3mtt h GLN 544 Ca 0.14 -0.06 -0.05 0.00 -1.45 0.00 0.00 58.65 57.23 3mtt h GLN 544 Cb -0.01 -0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 27.20 3mtt h GLN 544 CO -0.06 0.63 -0.23 0.37 -0.95 0.00 0.00 178.83 178.59 3mtt h GLN 545 N 0.97 0.00 0.23 1.46 4.15 -0.48 -2.96 115.11 118.48 3mtt h GLN 545 Ca 0.28 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.69 3mtt h GLN 545 Cb -0.06 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.63 3mtt h GLN 545 CO -0.08 0.23 -0.11 1.25 -1.93 0.00 0.00 178.83 178.19 3mtt h LEU 546 N 0.00 -0.26 -1.97 -2.39 5.85 0.13 -3.23 115.31 113.45 3mtt h LEU 546 Ca -0.00 -0.23 0.19 0.00 0.84 0.00 0.00 57.88 58.68 3mtt h LEU 546 Cb 0.53 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 3mtt h LEU 546 CO 0.03 0.26 0.48 0.03 -0.34 0.00 0.00 178.44 178.90 3mtt h ARG 547 N -0.96 0.03 0.44 1.25 3.08 -1.26 0.70 114.38 117.66 3mtt h ARG 547 Ca -0.03 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 3mtt h ARG 547 Cb 0.47 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 3mtt h ARG 547 CO 0.05 0.02 -0.29 0.00 -1.07 0.00 0.00 179.97 178.68 3mtt h ALA 548 N 1.66 -0.71 -0.86 0.04 0.00 -1.57 -0.42 119.26 117.40 3mtt h ALA 548 Ca 0.32 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3mtt h ALA 548 Cb 1.25 0.37 -0.04 0.00 0.00 0.00 0.00 17.79 19.37 3mtt h ALA 548 CO -0.01 -0.92 0.49 1.96 0.00 0.00 0.00 179.25 180.78 3mtt h GLN 549 N -0.71 1.19 -0.86 0.00 4.20 -1.03 -2.54 115.11 115.36 3mtt h GLN 549 Ca -0.05 -0.13 0.06 0.00 0.06 0.00 0.00 58.65 58.60 3mtt h GLN 549 Cb 0.59 -0.24 -0.06 0.00 0.30 0.00 0.00 27.48 28.07 3mtt h GLN 549 CO 0.03 0.86 0.53 0.00 -0.67 0.00 0.00 178.83 179.58 3mtt h ALA 550 N 1.27 1.18 -0.57 3.87 0.00 -0.71 -1.40 119.26 122.89 3mtt h ALA 550 Ca 0.31 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 3mtt h ALA 550 Cb -0.01 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 3mtt h ALA 550 CO -0.05 0.26 0.31 1.03 0.00 0.00 0.00 179.25 180.80 3mtt h SER 551 N 0.96 0.71 -0.86 0.00 0.87 -0.76 -1.72 113.55 112.75 3mtt h SER 551 Ca 0.38 -0.09 0.05 0.00 -1.23 0.00 0.00 61.79 60.90 3mtt h SER 551 Cb 0.19 -0.18 -0.06 0.00 -0.44 0.00 0.00 62.40 61.91 3mtt h SER 551 CO -0.18 0.60 0.54 0.44 -0.53 0.00 0.00 176.83 177.70 3mtt h ASP 552 N 0.77 0.87 -0.60 6.23 5.19 -0.89 0.35 116.42 128.35 3mtt h ASP 552 Ca 0.20 0.01 -0.10 0.00 -0.62 0.00 0.00 57.03 56.52 3mtt h ASP 552 Cb 0.04 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 39.36 3mtt h ASP 552 CO -0.03 0.57 -0.02 0.78 -3.12 0.00 0.00 179.24 177.42 3mtt h ASN 553 N 1.01 1.06 -0.47 6.45 4.21 -1.12 0.38 115.58 127.11 3mtt h ASN 553 Ca 0.37 -0.32 0.04 0.00 1.21 0.00 0.00 56.30 57.60 3mtt h ASN 553 Cb 0.12 -0.29 -0.03 0.00 -1.12 0.00 0.00 38.32 37.01 3mtt h ASN 553 CO -0.15 1.12 0.31 0.03 -1.29 0.00 0.00 177.43 177.44 3mtt h ARG 554 N 0.97 0.48 0.11 0.81 3.08 -0.34 0.33 114.38 119.83 3mtt h ARG 554 Ca 0.17 -0.03 -0.24 0.00 0.07 0.00 0.00 59.98 59.94 3mtt h ARG 554 Cb 0.59 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.53 3mtt h ARG 554 CO 0.04 0.32 -1.22 1.49 -1.07 0.00 0.00 179.97 179.53 3mtt h GLU 555 N 0.50 0.24 -0.44 0.04 4.81 -0.43 -2.81 114.58 116.48 3mtt h GLU 555 Ca 0.19 -0.41 -0.03 0.00 -0.13 0.00 0.00 59.36 58.98 3mtt h GLU 555 Cb 0.14 0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 3mtt h GLU 555 CO -0.05 1.20 0.15 0.82 -0.73 0.00 0.00 179.01 180.39 3mtt h ILE 556 N -0.37 1.18 -0.34 2.32 5.03 -0.17 0.36 117.51 125.53 3mtt h ILE 556 Ca -0.26 -0.60 -0.05 0.00 -0.12 0.00 0.00 64.86 63.83 3mtt h ILE 556 Cb 1.69 0.69 -0.02 0.00 -3.03 0.00 0.00 36.82 36.15 3mtt h ILE 556 CO 0.07 0.23 0.00 -0.78 -0.68 0.00 0.00 178.15 176.99 3mtt h ASP 557 N 0.64 0.48 0.35 1.72 3.58 -1.02 -0.24 116.42 121.93 3mtt h ASP 557 Ca 0.15 -0.09 -0.02 0.00 0.42 0.00 0.00 57.03 57.50 3mtt h ASP 557 Cb 0.18 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.11 3mtt h ASP 557 CO -0.01 0.55 -0.17 0.50 -2.88 0.00 0.00 179.24 177.23 3mtt h LYS 558 N 0.50 -0.45 -0.66 0.28 3.64 -0.72 -2.19 116.57 116.96 3mtt h LYS 558 Ca 0.11 0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.60 3mtt h LYS 558 Cb 0.32 0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.20 3mtt h LYS 558 CO 0.01 -0.15 0.44 0.00 -2.27 0.00 0.00 179.45 177.48 3mtt h ARG 559 N -0.79 0.58 0.00 1.90 3.08 -1.07 0.03 114.38 118.11 3mtt h ARG 559 Ca -0.05 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.93 3mtt h ARG 559 Cb 0.52 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.43 3mtt h ARG 559 CO 0.08 0.38 -0.15 1.98 -1.07 0.00 0.00 179.97 181.19 3mtt h MET 560 N 0.60 0.00 0.00 0.04 4.05 -0.83 -1.95 114.93 116.83 3mtt h MET 560 Ca 0.29 0.00 -0.05 0.00 -0.28 0.00 0.00 59.70 59.66 3mtt h MET 560 Cb 0.37 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.17 3mtt h MET 560 CO -0.09 0.15 -0.68 -0.91 0.23 0.00 0.00 176.91 175.61 3mtt h ASN 561 N 0.00 0.00 0.13 1.39 2.35 -0.37 -3.30 115.58 115.78 3mtt h ASN 561 Ca -0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.72 3mtt h ASN 561 Cb 0.28 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.64 3mtt h ASN 561 CO 0.02 0.20 -0.11 0.28 -1.65 0.00 0.00 177.43 176.16 3mtt h SER 562 N 0.00 0.00 0.71 5.81 0.02 -0.65 -3.14 113.55 116.30 3mtt h SER 562 Ca -0.03 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.86 3mtt h SER 562 Cb 1.18 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.71 3mtt h SER 562 CO 0.02 0.11 -1.33 0.18 -1.14 0.00 0.00 176.83 174.67 3mtt n LEU 563 N -4.29 0.68 -0.20 5.07 4.77 -1.21 -4.26 117.00 117.55 3mtt n LEU 563 Ca -0.03 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 3mtt n LEU 563 Cb 0.19 0.01 0.11 0.00 -2.33 0.00 0.00 43.42 41.40 3mtt n LEU 563 CO 0.35 -0.04 0.97 0.11 -1.33 0.00 0.00 177.39 177.45 3mtt h LYS 564 N 0.00 0.37 0.29 3.23 1.57 -1.67 -0.75 116.57 119.61 3mtt h LYS 564 Ca -0.06 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.69 3mtt h LYS 564 Cb 1.20 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 33.40 3mtt h LYS 564 CO 0.01 0.24 -0.49 -1.35 -0.57 0.00 0.00 179.45 177.30 3mtt h PRO 565 N 0.38 -0.80 -0.47 3.15 0.11 -1.76 -2.24 132.00 130.36 3mtt h PRO 565 Ca 0.31 0.05 0.08 0.00 0.11 0.00 0.00 66.00 66.55 3mtt h PRO 565 Cb 0.40 0.18 -0.07 0.00 0.11 0.00 0.00 31.00 31.62 3mtt h PRO 565 CO -0.32 -0.53 0.09 -0.44 -0.21 0.00 0.00 178.00 176.59 3mtt h ASP 566 N -0.83 -0.00 -0.24 -2.05 3.32 -1.65 -1.38 116.42 113.59 3mtt h ASP 566 Ca -0.03 0.08 0.06 0.00 0.02 0.00 0.00 57.03 57.16 3mtt h ASP 566 Cb 0.77 0.12 -0.07 0.00 0.22 0.00 0.00 39.33 40.36 3mtt h ASP 566 CO -0.17 0.03 -0.30 -0.07 -1.72 0.00 0.00 179.24 177.01 3mtt h LEU 567 N 0.23 -0.97 -0.39 1.55 3.38 -1.10 0.35 115.31 118.36 3mtt h LEU 567 Ca 0.23 0.16 0.08 0.00 0.09 0.00 0.00 57.88 58.44 3mtt h LEU 567 Cb 0.31 0.43 -0.09 0.00 0.09 0.00 0.00 40.66 41.40 3mtt h LEU 567 CO -0.31 -0.33 -0.24 -0.03 0.09 0.00 0.00 178.44 177.62 3mtt h MET 568 N -0.32 -0.17 0.21 1.13 4.05 -0.73 -0.17 114.93 118.93 3mtt h MET 568 Ca 0.13 0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.55 3mtt h MET 568 Cb 0.52 0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.36 3mtt h MET 568 CO -0.42 -0.12 -0.10 1.96 0.23 0.00 0.00 176.91 178.46 3mtt h GLN 569 N -0.18 -0.28 -0.68 0.39 1.08 -0.34 -1.07 115.11 114.04 3mtt h GLN 569 Ca 0.19 0.02 0.08 0.00 -1.45 0.00 0.00 58.65 57.48 3mtt h GLN 569 Cb 0.47 0.06 -0.06 0.00 -0.05 0.00 0.00 27.48 27.90 3mtt h GLN 569 CO -0.49 -0.11 0.35 -0.07 -0.95 0.00 0.00 178.83 177.55 3mtt h LEU 570 N -0.38 0.48 0.01 1.46 4.07 -0.13 0.24 115.31 121.07 3mtt h LEU 570 Ca -0.03 0.05 0.01 0.00 0.08 0.00 0.00 57.88 57.99 3mtt h LEU 570 Cb 0.29 -0.04 -0.02 0.00 1.08 0.00 0.00 40.66 41.98 3mtt h LEU 570 CO 0.05 0.30 -0.07 -0.09 -1.08 0.00 0.00 178.44 177.54 3mtt h ARG 571 N 0.62 -0.13 -0.00 1.13 1.12 -0.85 0.68 114.38 116.95 3mtt h ARG 571 Ca 0.32 0.01 0.03 0.00 -1.11 0.00 0.00 59.98 59.23 3mtt h ARG 571 Cb 0.28 0.03 -0.05 0.00 -0.01 0.00 0.00 29.97 30.22 3mtt h ARG 571 CO -0.23 -0.09 -0.32 0.87 -3.11 0.00 0.00 179.97 177.09 3mtt h LYS 572 N -0.14 -0.46 0.01 0.20 1.57 -0.50 -0.37 116.57 116.89 3mtt h LYS 572 Ca 0.03 0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.86 3mtt h LYS 572 Cb 0.17 0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.53 3mtt h LYS 572 CO -0.07 -0.30 -0.49 0.82 -0.57 0.00 0.00 179.45 178.83 3mtt h ILE 573 N -0.47 0.05 -0.91 1.86 1.08 -0.35 -0.96 117.51 117.82 3mtt h ILE 573 Ca 0.06 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.67 3mtt h ILE 573 Cb 0.56 0.05 -0.09 0.00 -3.07 0.00 0.00 36.82 34.27 3mtt h ILE 573 CO -0.27 0.00 0.52 -0.09 -0.69 0.00 0.00 178.15 177.62 3mtt h ARG 574 N -0.65 0.75 -0.18 2.37 1.12 -0.70 0.36 114.38 117.46 3mtt h ARG 574 Ca 0.02 -0.05 -0.02 0.00 -1.11 0.00 0.00 59.98 58.83 3mtt h ARG 574 Cb 0.71 -0.17 -0.01 0.00 -0.01 0.00 0.00 29.97 30.49 3mtt h ARG 574 CO -0.34 0.50 0.04 -0.44 -3.11 0.00 0.00 179.97 176.62 3mtt h ASP 575 N 0.77 0.22 -0.12 -3.80 5.19 -0.47 -2.02 116.42 116.19 3mtt h ASP 575 Ca 0.48 -0.02 -0.06 0.00 -0.62 0.00 0.00 57.03 56.81 3mtt h ASP 575 Cb 0.60 -0.06 -0.00 0.00 0.18 0.00 0.00 39.33 40.05 3mtt h ASP 575 CO -0.32 0.24 -0.16 -0.61 -3.12 0.00 0.00 179.24 175.27 3mtt h GLN 576 N 0.25 0.32 -0.84 3.56 5.75 0.11 -2.08 115.11 122.17 3mtt h GLN 576 Ca 0.06 -0.18 0.05 0.00 -0.15 0.00 0.00 58.65 58.43 3mtt h GLN 576 Cb 0.11 0.01 -0.05 0.00 1.07 0.00 0.00 27.48 28.62 3mtt h GLN 576 CO -0.00 0.75 0.55 1.88 -2.65 0.00 0.00 178.83 179.36 3mtt h TYR 577 N -0.09 0.97 0.09 3.99 0.05 -1.16 -0.51 116.97 120.30 3mtt h TYR 577 Ca 0.01 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.82 3mtt h TYR 577 Cb 0.72 -0.32 -0.00 0.00 1.01 0.00 0.00 36.73 38.13 3mtt h TYR 577 CO 0.10 0.53 -0.07 -0.07 -1.05 0.00 0.00 178.16 177.60 3mtt h LEU 578 N 0.97 -0.17 -0.67 3.88 3.38 -1.19 0.16 115.31 121.67 3mtt h LEU 578 Ca 0.35 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.37 3mtt h LEU 578 Cb 0.16 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 3mtt h LEU 578 CO -0.12 -0.11 0.41 0.58 0.09 0.00 0.00 178.44 179.29 3mtt h VAL 579 N -0.16 1.07 0.91 1.22 2.07 -0.92 0.25 116.25 120.69 3mtt h VAL 579 Ca -0.00 -0.27 -0.04 0.00 0.82 0.00 0.00 66.70 67.20 3mtt h VAL 579 Cb 0.14 0.21 0.01 0.00 -1.52 0.00 0.00 31.29 30.13 3mtt h VAL 579 CO -0.00 0.14 -0.43 -0.25 0.02 0.00 0.00 177.57 177.04 3mtt h TRP 580 N 0.79 -1.13 -0.68 1.57 7.01 -0.78 -0.23 115.95 122.50 3mtt h TRP 580 Ca 0.27 -0.03 0.12 0.00 2.11 0.00 0.00 58.89 61.36 3mtt h TRP 580 Cb 0.05 0.37 -0.04 0.00 -2.10 0.00 0.00 29.16 27.44 3mtt h TRP 580 CO -0.05 -0.70 0.45 -0.07 -2.79 0.00 0.00 178.44 175.28 3mtt h LEU 581 N -1.23 0.41 -0.30 0.65 3.38 -0.62 0.11 115.31 117.71 3mtt h LEU 581 Ca -0.12 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 3mtt h LEU 581 Cb 0.93 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 3mtt h LEU 581 CO 0.20 0.23 -0.03 0.74 0.09 0.00 0.00 178.44 179.67 3mtt h THR 582 N 0.45 1.27 -0.04 0.22 2.02 -0.09 -2.90 112.91 113.83 3mtt h THR 582 Ca 0.32 -1.02 -0.16 0.00 0.77 0.00 0.00 66.41 66.32 3mtt h THR 582 Cb 0.65 1.34 -0.01 0.00 -1.74 0.00 0.00 68.15 68.38 3mtt h THR 582 CO -0.10 0.33 -0.69 0.06 0.37 0.00 0.00 175.52 175.49 3mtt h GLN 583 N 0.32 0.21 -7.23 6.66 3.07 -0.61 -3.43 115.11 114.10 3mtt h GLN 583 Ca 0.08 -0.17 -0.50 0.00 0.09 0.00 0.00 58.65 58.15 3mtt h GLN 583 Cb 0.49 0.03 0.20 0.00 0.08 0.00 0.00 27.48 28.29 3mtt h GLN 583 CO 0.02 0.82 0.16 0.15 0.09 0.00 0.00 178.83 180.07 3mtt s LYS 584 N -3.58 0.44 0.56 0.06 1.02 0.33 -4.86 119.74 113.72 3mtt s LYS 584 Ca -0.03 1.39 0.27 0.00 0.02 0.00 0.00 55.97 57.62 3mtt s LYS 584 Cb 0.11 -1.67 1.48 0.00 -0.52 0.00 0.00 37.83 37.23 3mtt s LYS 584 CO 0.81 -2.97 1.99 0.78 -0.92 0.00 0.00 175.35 175.03 3mtt h GLY 585 N -2.11 0.00 -3.88 -3.33 0.00 -1.84 -3.43 103.07 88.48 3mtt h GLY 585 Ca -0.48 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.25 3mtt h GLY 585 CO 0.43 0.00 -0.42 0.00 0.00 0.00 0.00 176.54 176.56 3mtt n ALA 586 N -2.50 -1.49 -3.73 3.60 0.00 -1.21 -4.96 120.51 110.22 3mtt n ALA 586 Ca 0.08 0.14 -0.09 0.00 0.00 0.00 0.00 53.44 53.57 3mtt n ALA 586 Cb 0.58 -1.77 0.02 0.00 0.00 0.00 0.00 19.45 18.28 3mtt n ALA 586 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3mtt s ARG 587 N -1.61 2.25 0.00 0.00 0.52 -1.26 -4.36 118.95 114.49 3mtt s ARG 587 Ca 0.63 -1.50 0.00 0.00 -0.52 0.00 0.00 55.73 54.34 3mtt s ARG 587 Cb -0.58 0.61 0.00 0.00 0.52 0.00 0.00 34.95 35.50 3mtt s ARG 587 CO 0.58 -1.05 0.46 0.94 0.02 0.00 0.00 175.30 176.25 3mtt n GLN 588 N -0.54 0.00 -0.34 3.54 -0.06 -1.26 -2.99 117.38 115.72 3mtt n GLN 588 Ca -0.08 0.46 0.10 0.00 -2.00 0.00 0.00 57.00 55.48 3mtt n GLN 588 Cb 0.60 -0.88 0.21 0.00 -4.06 0.00 0.00 30.24 26.11 3mtt n GLN 588 CO 0.00 0.00 0.00 -0.22 -0.20 0.00 0.00 177.06 176.64 3mtt h LYS 589 N 0.00 0.01 -0.23 3.69 3.64 -2.00 0.69 116.57 122.37 3mtt h LYS 589 Ca 0.00 -0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.24 3mtt h LYS 589 Cb 0.00 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 3mtt h LYS 589 CO 0.00 0.01 -0.44 -0.22 -2.27 0.00 0.00 179.45 176.52 3mtt h LYS 590 N 0.01 0.57 -0.40 1.90 3.64 -1.98 -1.79 116.57 118.52 3mtt h LYS 590 Ca 0.53 -0.31 0.08 0.00 -1.27 0.00 0.00 60.65 59.68 3mtt h LYS 590 Cb 0.98 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.73 3mtt h LYS 590 CO -0.95 0.90 -0.15 0.82 -2.27 0.00 0.00 179.45 177.80 3mtt h ILE 591 N 0.46 0.49 -0.88 2.00 2.04 0.46 0.26 117.51 122.35 3mtt h ILE 591 Ca 0.03 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.92 3mtt h ILE 591 Cb 0.96 0.49 -0.05 0.00 -0.74 0.00 0.00 36.82 37.49 3mtt h ILE 591 CO 0.09 0.00 0.58 0.78 0.00 0.00 0.00 178.15 179.59 3mtt h ASN 592 N -0.07 0.97 -0.40 1.72 4.21 -0.86 -1.07 115.58 120.08 3mtt h ASN 592 Ca 0.20 -0.02 0.06 0.00 1.21 0.00 0.00 56.30 57.75 3mtt h ASN 592 Cb 0.37 -0.23 -0.05 0.00 -1.12 0.00 0.00 38.32 37.29 3mtt h ASN 592 CO -0.45 0.68 0.10 -0.33 -1.29 0.00 0.00 177.43 176.14 3mtt h GLU 593 N 1.13 0.23 0.00 0.81 5.08 -0.35 -0.63 114.58 120.85 3mtt h GLU 593 Ca 0.34 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 3mtt h GLU 593 Cb -0.04 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.16 3mtt h GLU 593 CO -0.09 0.15 0.00 -1.49 -1.00 0.00 0.00 179.01 176.58 3mtt h TRP 594 N 0.24 0.00 -0.50 4.33 6.55 0.22 -1.69 115.95 125.10 3mtt h TRP 594 Ca 0.19 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.03 3mtt h TRP 594 Cb 0.21 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.51 3mtt h TRP 594 CO -0.18 0.00 0.00 1.28 -1.05 0.00 0.00 178.44 178.49 3mtt n LEU 595 N -2.51 3.39 -3.55 -4.49 4.77 -0.67 -4.15 117.00 109.80 3mtt n LEU 595 Ca 0.02 -1.87 -0.23 0.00 -0.03 0.00 0.00 56.01 53.89 3mtt n LEU 595 Cb 0.25 -0.33 0.05 0.00 -2.33 0.00 0.00 43.42 41.06 3mtt n LEU 595 CO 0.22 0.82 -0.04 0.61 -1.33 0.00 0.00 177.39 177.68 3mtt n GLY 596 N 1.15 -0.81 3.53 -0.72 0.00 -0.64 -5.00 105.19 102.70 3mtt n GLY 596 Ca 0.18 0.39 -0.34 0.00 0.00 0.00 0.00 46.02 46.25 3mtt n GLY 596 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mtt s ILE 597 N -3.50 3.66 0.00 -0.61 1.01 -0.33 -5.04 121.20 116.39 3mtt s ILE 597 Ca 0.31 -0.47 0.00 0.00 0.00 0.00 0.00 60.65 60.49 3mtt s ILE 597 Cb -0.08 -2.53 0.00 0.00 0.01 0.00 0.00 42.46 39.86 3mtt s ILE 597 CO 0.81 0.56 0.32 0.29 0.00 0.00 0.00 174.94 176.92