#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uwm n ALA 442 N 0.00 -1.84 0.00 -1.58 0.00 -1.26 -4.83 120.51 111.00 2uwm n ALA 442 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.66 2uwm n ALA 442 Cb 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 18.81 2uwm n ALA 442 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 2uwm n TRP 443 N -3.01 0.00 -0.12 0.00 8.01 -1.26 -3.09 117.44 117.97 2uwm n TRP 443 Ca 0.00 0.00 -0.07 0.00 -1.31 0.00 0.00 57.50 56.13 2uwm n TRP 443 Cb 0.33 0.00 0.01 0.00 -2.01 0.00 0.00 31.31 29.64 2uwm n TRP 443 CO 0.00 0.00 0.00 2.35 -1.01 0.00 0.00 177.69 179.03 2uwm h TRP 444 N 0.00 0.38 -0.62 -5.99 2.91 -1.98 0.18 115.95 110.84 2uwm h TRP 444 Ca 0.00 0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.03 2uwm h TRP 444 Cb 0.00 -0.12 -0.03 0.00 -0.51 0.00 0.00 29.16 28.50 2uwm h TRP 444 CO 0.00 0.21 0.35 1.96 -1.03 0.00 0.00 178.44 179.94 2uwm h GLN 445 N 0.42 0.85 -0.75 2.65 1.08 -1.88 0.33 115.11 117.81 2uwm h GLN 445 Ca 0.16 -0.09 0.04 0.00 -1.45 0.00 0.00 58.65 57.31 2uwm h GLN 445 Cb 0.04 -0.17 -0.04 0.00 -0.05 0.00 0.00 27.48 27.26 2uwm h GLN 445 CO -0.10 0.63 0.49 0.00 -0.95 0.00 0.00 178.83 178.90 2uwm h ALA 446 N 1.17 1.58 -0.05 3.87 0.00 -1.77 -1.06 119.26 123.01 2uwm h ALA 446 Ca 0.22 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 2uwm h ALA 446 Cb 0.01 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 2uwm h ALA 446 CO -0.04 0.34 -0.08 0.28 0.00 0.00 0.00 179.25 179.75 2uwm h VAL 447 N 0.89 1.41 -0.43 0.00 2.07 0.23 -0.44 116.25 119.97 2uwm h VAL 447 Ca 0.30 -1.34 0.03 0.00 0.82 0.00 0.00 66.70 66.51 2uwm h VAL 447 Cb 0.08 2.18 -0.03 0.00 -1.52 0.00 0.00 31.29 32.01 2uwm h VAL 447 CO -0.09 0.36 0.24 0.71 0.02 0.00 0.00 177.57 178.81 2uwm h THR 448 N -0.35 1.01 -0.07 2.57 1.35 -0.27 0.13 112.91 117.28 2uwm h THR 448 Ca 0.00 -0.16 0.04 0.00 -0.55 0.00 0.00 66.41 65.74 2uwm h THR 448 Cb 0.63 0.49 -0.05 0.00 -1.73 0.00 0.00 68.15 67.49 2uwm h THR 448 CO 0.02 0.09 -0.21 -0.09 -0.25 0.00 0.00 175.52 175.08 2uwm h ARG 449 N 0.48 -0.28 -0.70 4.72 1.12 -1.22 0.32 114.38 118.82 2uwm h ARG 449 Ca 0.18 0.02 0.03 0.00 -1.11 0.00 0.00 59.98 59.10 2uwm h ARG 449 Cb 0.04 0.06 -0.05 0.00 -0.01 0.00 0.00 29.97 30.02 2uwm h ARG 449 CO -0.10 -0.19 0.43 0.00 -3.11 0.00 0.00 179.97 177.01 2uwm h ALA 450 N 0.66 0.92 -0.01 2.80 0.00 -0.69 -0.84 119.26 122.10 2uwm h ALA 450 Ca 0.08 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.76 2uwm h ALA 450 Cb 0.41 -0.21 0.02 0.00 0.00 0.00 0.00 17.79 18.00 2uwm h ALA 450 CO -0.24 0.20 -0.83 -0.07 0.00 0.00 0.00 179.25 178.31 2uwm h LEU 451 N 0.84 0.74 -0.91 0.00 3.38 -0.47 -1.29 115.31 117.61 2uwm h LEU 451 Ca 0.28 -0.74 0.06 0.00 0.09 0.00 0.00 57.88 57.57 2uwm h LEU 451 Cb 0.04 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.50 2uwm h LEU 451 CO -0.12 1.38 0.57 -0.33 0.09 0.00 0.00 178.44 180.04 2uwm h GLU 452 N 0.17 1.02 -0.09 1.13 5.08 -0.27 0.23 114.58 121.85 2uwm h GLU 452 Ca -0.10 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 2uwm h GLU 452 Cb 1.51 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 30.52 2uwm h GLU 452 CO 0.16 0.68 0.06 1.49 -1.00 0.00 0.00 179.01 180.39 2uwm h GLU 453 N 1.05 0.12 -0.28 2.33 4.81 -1.11 -2.44 114.58 119.06 2uwm h GLU 453 Ca 0.39 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.60 2uwm h GLU 453 Cb 0.15 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 2uwm h GLU 453 CO -0.17 0.11 0.14 0.35 -0.73 0.00 0.00 179.01 178.71 2uwm h PHE 454 N 0.10 0.41 -0.68 0.92 3.57 -0.55 -2.72 116.94 117.99 2uwm h PHE 454 Ca 0.03 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.48 2uwm h PHE 454 Cb 0.02 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 38.60 2uwm h PHE 454 CO -0.06 0.38 0.28 0.45 -2.23 0.00 0.00 178.31 177.12 2uwm h HIS 455 N 0.32 1.00 -0.05 0.41 3.86 -0.52 0.31 115.15 120.49 2uwm h HIS 455 Ca 0.10 -0.06 -0.16 0.00 -1.16 0.00 0.00 60.37 59.08 2uwm h HIS 455 Cb 0.12 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 28.27 2uwm h HIS 455 CO -0.02 0.76 -0.69 0.66 0.86 0.00 0.00 177.93 179.50 2uwm h SER 456 N 0.98 0.28 0.38 2.45 4.64 -1.40 -2.62 113.55 118.26 2uwm h SER 456 Ca 0.23 -0.18 -0.25 0.00 -0.47 0.00 0.00 61.79 61.12 2uwm h SER 456 Cb 0.18 -0.08 0.01 0.00 -0.31 0.00 0.00 62.40 62.19 2uwm h SER 456 CO -0.02 0.88 -1.08 -0.09 -0.87 0.00 0.00 176.83 175.65 2uwm h ARG 457 N 0.17 0.41 -2.17 4.77 2.43 -1.23 -3.40 114.38 115.36 2uwm h ARG 457 Ca -0.02 -0.52 -0.58 0.00 -0.81 0.00 0.00 59.98 58.05 2uwm h ARG 457 Cb 1.23 0.17 -0.41 0.00 -0.42 0.00 0.00 29.97 30.54 2uwm h ARG 457 CO 0.11 1.19 -0.72 0.66 -1.51 0.00 0.00 179.97 179.69 2uwm n TYR 458 N -3.69 2.90 0.74 2.20 4.02 0.11 -4.90 117.16 118.53 2uwm n TYR 458 Ca -0.08 -4.01 0.09 0.00 -0.01 0.00 0.00 57.90 53.89 2uwm n TYR 458 Cb 0.92 -0.50 0.43 0.00 -0.02 0.00 0.00 39.34 40.16 2uwm n TYR 458 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 2uwm n PRO 459 N 0.66 0.10 -0.34 -0.72 -0.04 -0.99 -2.28 135.00 131.40 2uwm n PRO 459 Ca 0.28 0.15 0.09 0.00 -0.04 0.00 0.00 63.50 63.98 2uwm n PRO 459 Cb 0.44 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.62 2uwm n PRO 459 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2uwm n LEU 460 N -1.42 3.46 -4.72 1.53 4.77 -1.26 -0.69 117.00 118.67 2uwm n LEU 460 Ca 0.06 -2.97 -0.29 0.00 -0.03 0.00 0.00 56.01 52.78 2uwm n LEU 460 Cb 0.19 -0.50 -0.07 0.00 -2.33 0.00 0.00 43.42 40.71 2uwm n LEU 460 CO 0.16 0.68 -0.30 -0.13 -1.33 0.00 0.00 177.39 176.47 2uwm s ARG 461 N -2.73 2.63 0.51 3.23 0.52 -0.96 -4.89 118.95 117.26 2uwm s ARG 461 Ca 0.38 -0.87 0.29 0.00 -0.52 0.00 0.00 55.73 55.01 2uwm s ARG 461 Cb 0.31 -2.55 1.27 0.00 0.52 0.00 0.00 34.95 34.50 2uwm s ARG 461 CO 0.08 0.52 1.96 -1.00 0.02 0.00 0.00 175.30 176.88 2uwm h PRO 462 N 3.10 0.00 0.00 3.54 0.13 -1.86 -3.45 132.00 133.45 2uwm h PRO 462 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2uwm h PRO 462 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2uwm h PRO 462 CO 0.61 0.12 0.00 0.41 -0.23 0.00 0.00 178.00 178.91 2uwm n GLY 463 N -0.15 -1.31 3.73 1.56 0.00 -1.26 -4.62 105.19 103.15 2uwm n GLY 463 Ca -0.00 -1.50 -0.39 0.00 0.00 0.00 0.00 46.02 44.12 2uwm n GLY 463 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2uwm s LEU 464 N 0.00 4.37 0.16 0.99 2.96 -0.27 -4.72 118.68 122.17 2uwm s LEU 464 Ca 0.00 1.23 -0.34 0.00 -0.22 0.00 0.00 54.13 54.80 2uwm s LEU 464 Cb 0.00 -3.06 -0.14 0.00 0.50 0.00 0.00 46.19 43.49 2uwm s LEU 464 CO 0.00 -0.03 1.57 0.00 -1.32 0.00 0.00 176.35 176.57 2uwm n ALA 465 N 3.30 1.29 -0.26 5.97 0.00 -1.26 -0.48 120.51 129.08 2uwm n ALA 465 Ca -0.03 0.45 0.07 0.00 0.00 0.00 0.00 53.44 53.92 2uwm n ALA 465 Cb 0.51 -2.34 0.20 0.00 0.00 0.00 0.00 19.45 17.82 2uwm n ALA 465 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2uwm h ARG 466 N 5.86 0.28 0.00 0.00 3.08 -1.17 -0.12 114.38 122.32 2uwm h ARG 466 Ca -0.45 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.58 2uwm h ARG 466 Cb 1.26 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.24 2uwm h ARG 466 CO 0.88 0.19 0.00 0.39 -1.07 0.00 0.00 179.97 180.36 2uwm n GLU 467 N -5.14 0.04 0.09 0.04 -0.58 -1.26 -1.41 120.64 112.41 2uwm n GLU 467 Ca 0.15 0.11 -0.23 0.00 -0.42 0.00 0.00 57.16 56.78 2uwm n GLU 467 Cb 0.48 -1.55 -0.15 0.00 -0.57 0.00 0.00 31.44 29.65 2uwm n GLU 467 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 2uwm h GLU 468 N 0.00 0.41 -0.64 3.49 4.39 -1.43 -2.56 114.58 118.24 2uwm h GLU 468 Ca 0.00 -0.70 0.01 0.00 0.34 0.00 0.00 59.36 59.00 2uwm h GLU 468 Cb 0.45 0.26 -0.03 0.00 -0.10 0.00 0.00 28.75 29.33 2uwm h GLU 468 CO 0.00 1.33 0.43 1.25 -1.16 0.00 0.00 179.01 180.85 2uwm h LEU 469 N 0.11 0.74 0.35 1.33 5.85 -0.94 -2.14 115.31 120.61 2uwm h LEU 469 Ca -0.32 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.36 2uwm h LEU 469 Cb 2.11 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.96 2uwm h LEU 469 CO 0.19 0.53 -0.17 -0.09 -0.34 0.00 0.00 178.44 178.57 2uwm h ARG 470 N 0.87 -0.46 0.00 1.25 2.43 -1.34 -3.00 114.38 114.13 2uwm h ARG 470 Ca 0.24 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.44 2uwm h ARG 470 Cb -0.10 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 2uwm h ARG 470 CO -0.05 -0.23 0.00 0.66 -1.51 0.00 0.00 179.97 178.84 2uwm h SER 471 N -1.07 0.00 0.40 -3.80 4.64 -1.46 0.51 113.55 112.77 2uwm h SER 471 Ca -0.05 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 60.96 2uwm h SER 471 Cb 0.45 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.53 2uwm h SER 471 CO 0.08 0.00 -1.59 -0.09 -0.87 0.00 0.00 176.83 174.36 2uwm h ARG 472 N 0.00 0.26 0.00 4.77 2.43 -1.47 -3.42 114.38 116.95 2uwm h ARG 472 Ca 0.00 -0.45 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 2uwm h ARG 472 Cb 0.14 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 2uwm h ARG 472 CO 0.00 1.12 -0.11 0.66 -1.51 0.00 0.00 179.97 180.13 2uwm n TYR 473 N -3.46 -0.41 -1.27 2.20 4.02 -0.94 -4.90 117.16 112.40 2uwm n TYR 473 Ca -0.18 0.07 -0.29 0.00 -0.01 0.00 0.00 57.90 57.49 2uwm n TYR 473 Cb 1.05 0.10 0.05 0.00 -0.02 0.00 0.00 39.34 40.52 2uwm n TYR 473 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 2uwm n PHE 474 N -3.42 2.55 0.08 -0.72 3.72 0.09 -4.52 117.46 115.24 2uwm n PHE 474 Ca 0.00 -2.54 -0.10 0.00 -0.05 0.00 0.00 57.45 54.77 2uwm n PHE 474 Cb 0.06 -1.27 -0.04 0.00 -0.94 0.00 0.00 39.48 37.29 2uwm n PHE 474 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2uwm h SER 475 N 2.03 0.26 0.16 4.37 4.64 -1.59 -3.12 113.55 120.30 2uwm h SER 475 Ca 0.49 -0.23 -0.17 0.00 -0.47 0.00 0.00 61.79 61.41 2uwm h SER 475 Cb 0.75 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.75 2uwm h SER 475 CO 1.26 1.06 -0.64 0.03 -0.87 0.00 0.00 176.83 177.67 2uwm h ARG 476 N 0.10 0.46 -6.77 4.77 2.47 -1.89 -3.44 114.38 110.08 2uwm h ARG 476 Ca -0.05 -0.33 -0.52 0.00 -1.26 0.00 0.00 59.98 57.81 2uwm h ARG 476 Cb 1.59 0.06 0.05 0.00 -1.65 0.00 0.00 29.97 30.02 2uwm h ARG 476 CO 0.14 0.95 0.69 -1.17 0.56 0.00 0.00 179.97 181.14 2uwm s LEU 477 N -8.13 4.41 1.15 3.04 1.98 -1.18 -5.00 118.68 114.94 2uwm s LEU 477 Ca -0.06 2.60 -0.16 0.00 -2.89 0.00 0.00 54.13 53.62 2uwm s LEU 477 Cb 0.11 -3.63 0.26 0.00 0.66 0.00 0.00 46.19 43.59 2uwm s LEU 477 CO 0.84 -0.60 1.07 -2.16 -1.89 0.00 0.00 176.35 173.61 2uwm s PRO 478 N -0.79 -0.78 0.07 0.98 0.04 -1.26 -4.93 135.00 128.33 2uwm s PRO 478 Ca 0.55 0.32 -0.23 0.00 0.04 0.00 0.00 61.00 61.68 2uwm s PRO 478 Cb -0.40 -1.61 -0.15 0.00 0.04 0.00 0.00 34.50 32.38 2uwm s PRO 478 CO 0.45 -3.50 1.64 0.00 0.04 0.00 0.00 177.00 175.63 2uwm h ALA 479 N -2.44 0.05 -2.43 8.56 0.00 -1.94 -3.28 119.26 117.77 2uwm h ALA 479 Ca -0.52 -0.06 -0.52 0.00 0.00 0.00 0.00 54.91 53.81 2uwm h ALA 479 Cb 1.32 -0.02 0.13 0.00 0.00 0.00 0.00 17.79 19.23 2uwm h ALA 479 CO 0.46 -0.39 0.34 0.50 0.00 0.00 0.00 179.25 180.16 2uwm s ARG 480 N -5.73 2.32 0.00 0.00 6.06 -1.26 -2.53 118.95 117.82 2uwm s ARG 480 Ca -0.14 1.40 0.00 0.00 -2.50 0.00 0.00 55.73 54.50 2uwm s ARG 480 Cb 0.05 -1.89 0.00 0.00 0.06 0.00 0.00 34.95 33.18 2uwm s ARG 480 CO 0.67 -1.62 0.00 0.28 -2.50 0.00 0.00 175.30 172.13 2uwm n VAL 481 N -3.00 0.00 -0.21 7.11 0.31 -1.26 -4.57 118.33 116.71 2uwm n VAL 481 Ca 0.11 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.36 2uwm n VAL 481 Cb 0.52 0.00 0.02 0.00 -0.91 0.00 0.00 33.84 33.47 2uwm n VAL 481 CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 2uwm h TYR 482 N 0.00 0.95 -0.16 3.52 3.20 -1.61 0.51 116.97 123.38 2uwm h TYR 482 Ca 0.00 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 61.77 2uwm h TYR 482 Cb 0.00 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 37.99 2uwm h TYR 482 CO 0.00 0.80 0.10 1.96 -1.64 0.00 0.00 178.16 179.38 2uwm h GLN 483 N 0.82 0.21 0.00 1.82 1.08 -1.74 -2.34 115.11 114.97 2uwm h GLN 483 Ca 0.18 -0.01 -0.05 0.00 -1.45 0.00 0.00 58.65 57.32 2uwm h GLN 483 Cb 0.31 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.69 2uwm h GLN 483 CO -0.00 0.15 -0.25 0.00 -0.95 0.00 0.00 178.83 177.79 2uwm h ALA 484 N 1.05 1.56 -0.34 3.87 0.00 -1.83 -1.49 119.26 122.08 2uwm h ALA 484 Ca 0.06 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 2uwm h ALA 484 Cb -0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2uwm h ALA 484 CO -0.01 0.31 -0.03 1.25 0.00 0.00 0.00 179.25 180.77 2uwm h LEU 485 N 0.00 0.62 -0.28 0.00 5.85 0.25 -0.62 115.31 121.13 2uwm h LEU 485 Ca -0.00 -0.33 -0.07 0.00 0.84 0.00 0.00 57.88 58.32 2uwm h LEU 485 Cb 0.44 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 2uwm h LEU 485 CO 0.03 0.80 -0.10 -0.07 -0.34 0.00 0.00 178.44 178.76 2uwm h LEU 486 N 0.42 0.57 -0.84 2.25 3.38 -1.15 -2.36 115.31 117.59 2uwm h LEU 486 Ca 0.09 -0.38 -0.11 0.00 0.09 0.00 0.00 57.88 57.57 2uwm h LEU 486 Cb 0.50 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 2uwm h LEU 486 CO 0.02 0.83 -0.35 -0.08 0.09 0.00 0.00 178.44 178.95 2uwm h GLU 487 N 0.31 0.46 0.40 1.13 4.22 -1.29 0.24 114.58 120.05 2uwm h GLU 487 Ca 0.07 -0.20 -0.02 0.00 0.08 0.00 0.00 59.36 59.28 2uwm h GLU 487 Cb 0.59 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.84 2uwm h GLU 487 CO 0.03 0.74 -0.19 1.49 -2.18 0.00 0.00 179.01 178.90 2uwm h GLU 488 N 0.39 -0.52 0.00 1.92 4.57 -1.12 -0.38 114.58 119.43 2uwm h GLU 488 Ca 0.04 0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.24 2uwm h GLU 488 Cb 0.79 0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 29.50 2uwm h GLU 488 CO 0.06 -0.32 -0.10 -1.49 -1.18 0.00 0.00 179.01 175.99 2uwm h TRP 489 N -0.60 0.00 -0.18 0.92 6.55 -1.29 -1.92 115.95 119.43 2uwm h TRP 489 Ca -0.06 0.00 -0.21 0.00 0.95 0.00 0.00 58.89 59.57 2uwm h TRP 489 Cb 0.45 0.00 0.01 0.00 -0.86 0.00 0.00 29.16 28.76 2uwm h TRP 489 CO -0.03 0.10 -0.71 1.03 -1.05 0.00 0.00 178.44 177.77 2uwm h SER 490 N 0.00 0.94 0.28 -3.49 0.87 -0.78 -1.43 113.55 109.95 2uwm h SER 490 Ca -0.00 -0.61 -0.04 0.00 -1.23 0.00 0.00 61.79 59.91 2uwm h SER 490 Cb 0.18 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 2uwm h SER 490 CO 0.01 1.39 -0.21 0.03 -0.53 0.00 0.00 176.83 177.53 2uwm h ARG 491 N 0.55 0.00 0.00 2.24 3.08 -0.59 -1.79 114.38 117.87 2uwm h ARG 491 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2uwm h ARG 491 Cb 1.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.39 2uwm h ARG 491 CO 0.15 0.21 0.00 0.39 -1.07 0.00 0.00 179.97 179.65 2uwm n GLU 492 N -4.08 0.00 -1.31 0.04 1.02 -0.77 -4.91 120.64 110.63 2uwm n GLU 492 Ca -0.02 0.08 -0.00 0.00 -0.02 0.00 0.00 57.16 57.20 2uwm n GLU 492 Cb 0.28 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.20 2uwm n GLU 492 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2uwm n GLY 493 N 1.01 0.39 0.10 0.62 0.00 -0.67 -4.95 105.19 101.69 2uwm n GLY 493 Ca 0.06 -1.02 -0.11 0.00 0.00 0.00 0.00 46.02 44.95 2uwm n GLY 493 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2uwm n ARG 494 N -2.39 0.67 -5.28 1.61 1.74 -0.55 -4.68 116.66 107.78 2uwm n ARG 494 Ca -0.00 0.13 -0.31 0.00 -0.77 0.00 0.00 57.85 56.89 2uwm n ARG 494 Cb 0.16 -1.62 -0.16 0.00 -1.02 0.00 0.00 32.46 29.82 2uwm n ARG 494 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2uwm s LEU 495 N -5.91 2.08 -0.27 0.55 1.43 -1.11 -1.06 118.68 114.40 2uwm s LEU 495 Ca -0.12 -0.48 -0.22 0.00 -1.03 0.00 0.00 54.13 52.28 2uwm s LEU 495 Cb 0.07 -1.36 -0.01 0.00 0.03 0.00 0.00 46.19 44.92 2uwm s LEU 495 CO 0.80 0.28 0.72 -1.10 0.23 0.00 0.00 176.35 177.29 2uwm s GLN 496 N -0.40 4.08 -0.22 1.70 -0.21 0.20 -4.39 119.66 120.42 2uwm s GLN 496 Ca 0.04 0.65 -0.08 0.00 0.02 0.00 0.00 55.36 55.98 2uwm s GLN 496 Cb -0.12 -3.67 -0.04 0.00 1.00 0.00 0.00 33.01 30.18 2uwm s GLN 496 CO 0.01 -0.52 0.10 -0.51 -2.12 0.00 0.00 175.29 172.26 2uwm s LEU 497 N 2.71 3.84 0.46 2.90 1.02 -1.26 -1.07 118.68 127.28 2uwm s LEU 497 Ca 0.30 0.03 0.07 0.00 0.02 0.00 0.00 54.13 54.55 2uwm s LEU 497 Cb -0.15 -2.01 -0.02 0.00 0.02 0.00 0.00 46.19 44.04 2uwm s LEU 497 CO 0.09 0.09 0.29 0.00 0.02 0.00 0.00 176.35 176.85 2uwm s ALA 498 N 0.88 3.98 0.25 4.21 0.00 0.24 -5.03 121.76 126.30 2uwm s ALA 498 Ca 0.05 -1.74 -0.04 0.00 0.00 0.00 0.00 51.96 50.24 2uwm s ALA 498 Cb -0.13 -0.64 0.49 0.00 0.00 0.00 0.00 23.12 22.83 2uwm s ALA 498 CO 0.03 -0.26 1.71 0.00 0.00 0.00 0.00 175.76 177.24 2uwm h ALA 499 N 1.12 1.05 0.00 0.00 0.00 -1.84 -3.26 119.26 116.33 2uwm h ALA 499 Ca -0.41 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2uwm h ALA 499 Cb 1.27 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.22 2uwm h ALA 499 CO 0.63 -0.28 -0.04 0.27 0.00 0.00 0.00 179.25 179.83 2uwm n ASN 500 N -5.07 0.99 -4.10 0.00 0.23 -1.05 -4.98 115.26 101.28 2uwm n ASN 500 Ca 0.15 -1.65 -0.11 0.00 -0.53 0.00 0.00 54.58 52.44 2uwm n ASN 500 Cb 0.46 -0.05 -0.11 0.00 -2.08 0.00 0.00 39.78 38.00 2uwm n ASN 500 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 2uwm s THR 501 N -0.62 0.52 0.11 5.53 -4.23 -1.23 -0.60 115.64 115.11 2uwm s THR 501 Ca 0.02 -1.47 0.09 0.00 -1.18 0.00 0.00 61.69 59.15 2uwm s THR 501 Cb 0.02 -1.08 -0.04 0.00 1.34 0.00 0.00 72.50 72.74 2uwm s THR 501 CO 0.00 -0.65 -0.18 -0.69 -0.54 0.00 0.00 174.62 172.56 2uwm s VAL 502 N -2.52 2.85 -0.02 2.29 1.01 0.37 -0.59 120.40 123.78 2uwm s VAL 502 Ca -0.00 -1.48 -0.07 0.00 0.00 0.00 0.00 61.98 60.43 2uwm s VAL 502 Cb -0.02 -2.30 0.01 0.00 0.00 0.00 0.00 36.38 34.07 2uwm s VAL 502 CO -0.03 0.12 0.16 0.00 0.00 0.00 0.00 175.10 175.35 2uwm s ALA 503 N -1.13 -0.40 0.58 5.51 0.00 -0.23 -1.12 121.76 124.98 2uwm s ALA 503 Ca 0.18 0.12 -0.20 0.00 0.00 0.00 0.00 51.96 52.06 2uwm s ALA 503 Cb -0.11 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.94 2uwm s ALA 503 CO 0.10 -0.17 1.31 -0.51 0.00 0.00 0.00 175.76 176.49 2uwm s LEU 504 N -0.85 3.74 0.17 0.00 2.01 -1.26 0.59 118.68 123.08 2uwm s LEU 504 Ca -0.09 2.65 -0.31 0.00 0.01 0.00 0.00 54.13 56.38 2uwm s LEU 504 Cb -0.05 -4.43 -0.09 0.00 0.01 0.00 0.00 46.19 41.63 2uwm s LEU 504 CO 0.01 -1.68 1.40 0.00 1.01 0.00 0.00 176.35 177.09 2uwm s ALA 505 N -1.38 3.61 0.00 4.21 0.00 -0.22 -2.65 121.76 125.32 2uwm s ALA 505 Ca 0.76 1.19 0.00 0.00 0.00 0.00 0.00 51.96 53.91 2uwm s ALA 505 Cb -0.38 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.21 2uwm s ALA 505 CO 0.42 -0.64 0.00 0.41 0.00 0.00 0.00 175.76 175.95 2uwm n GLY 506 N 2.99 2.78 3.72 0.00 0.00 -1.26 -5.01 105.19 108.40 2uwm n GLY 506 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 2uwm n GLY 506 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2uwm s PHE 507 N -2.50 3.17 -0.07 1.61 5.36 -1.09 -5.01 117.98 119.45 2uwm s PHE 507 Ca 0.00 0.82 0.02 0.00 -0.96 0.00 0.00 56.93 56.82 2uwm s PHE 507 Cb 0.00 -3.78 0.01 0.00 -0.34 0.00 0.00 43.02 38.91 2uwm s PHE 507 CO 0.00 -2.79 -0.14 0.99 -1.46 0.00 0.00 175.22 171.82 2uwm s THR 508 N 1.13 1.27 0.51 0.12 2.01 -1.26 -5.01 115.64 114.41 2uwm s THR 508 Ca 0.67 -0.56 -0.21 0.00 0.31 0.00 0.00 61.69 61.90 2uwm s THR 508 Cb -0.39 -1.14 -0.06 0.00 0.01 0.00 0.00 72.50 70.91 2uwm s THR 508 CO 0.31 0.38 1.16 -2.16 -0.69 0.00 0.00 174.62 173.62 2uwm s PRO 509 N 0.62 3.47 -0.10 4.92 0.04 -1.26 -4.90 135.00 137.80 2uwm s PRO 509 Ca -0.15 1.72 0.00 0.00 0.04 0.00 0.00 61.00 62.61 2uwm s PRO 509 Cb -0.16 -2.17 0.09 0.00 0.04 0.00 0.00 34.50 32.30 2uwm s PRO 509 CO 0.04 -0.78 1.67 0.43 0.04 0.00 0.00 177.00 178.40 2uwm n SER 510 N -0.99 4.70 -4.75 6.66 7.64 0.13 -4.89 113.62 122.11 2uwm n SER 510 Ca 0.10 -2.49 -0.32 0.00 1.01 0.00 0.00 58.87 57.17 2uwm n SER 510 Cb 0.49 -0.89 0.09 0.00 -1.01 0.00 0.00 64.21 62.89 2uwm n SER 510 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2uwm s PHE 511 N -0.59 2.40 0.75 1.43 0.08 -1.26 -4.98 117.98 115.80 2uwm s PHE 511 Ca 0.10 1.59 -0.12 0.00 0.12 0.00 0.00 56.93 58.62 2uwm s PHE 511 Cb 0.08 -3.18 0.05 0.00 -0.57 0.00 0.00 43.02 39.39 2uwm s PHE 511 CO 0.01 -2.00 1.11 -1.54 -0.10 0.00 0.00 175.22 172.70 2uwm s SER 512 N -2.84 4.49 0.41 1.36 1.04 -1.26 -4.79 113.70 112.11 2uwm s SER 512 Ca 0.66 1.97 0.08 0.00 0.48 0.00 0.00 55.95 59.13 2uwm s SER 512 Cb -0.21 -2.54 0.88 0.00 0.10 0.00 0.00 66.02 64.25 2uwm s SER 512 CO 0.50 -2.05 2.04 -0.33 0.98 0.00 0.00 173.24 174.37 2uwm h GLU 513 N -0.78 0.43 -0.27 4.02 4.39 -1.99 0.02 114.58 120.41 2uwm h GLU 513 Ca -0.45 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.19 2uwm h GLU 513 Cb 1.25 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.79 2uwm h GLU 513 CO 0.51 0.33 0.08 1.15 -1.16 0.00 0.00 179.01 179.93 2uwm h THR 514 N 0.44 1.20 -0.65 1.13 2.02 -2.00 -2.60 112.91 112.45 2uwm h THR 514 Ca 0.11 -0.64 -0.06 0.00 0.77 0.00 0.00 66.41 66.60 2uwm h THR 514 Cb 0.04 1.11 -0.03 0.00 -1.74 0.00 0.00 68.15 67.53 2uwm h THR 514 CO -0.02 0.21 0.17 1.56 0.37 0.00 0.00 175.52 177.81 2uwm h GLN 515 N 0.27 1.02 -0.64 6.66 4.20 -1.67 -1.55 115.11 123.40 2uwm h GLN 515 Ca 0.09 -0.22 0.02 0.00 0.06 0.00 0.00 58.65 58.59 2uwm h GLN 515 Cb 0.24 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 27.84 2uwm h GLN 515 CO -0.00 0.89 0.41 0.87 -0.67 0.00 0.00 178.83 180.33 2uwm h LYS 516 N 0.97 0.79 0.00 1.46 1.57 -0.99 -0.44 116.57 119.93 2uwm h LYS 516 Ca 0.21 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.94 2uwm h LYS 516 Cb 0.33 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.46 2uwm h LYS 516 CO -0.00 0.52 -0.00 -0.22 -0.57 0.00 0.00 179.45 179.18 2uwm h LYS 517 N 0.82 -0.00 -0.66 3.15 3.11 -1.26 -2.67 116.57 119.05 2uwm h LYS 517 Ca 0.25 0.00 0.13 0.00 -2.81 0.00 0.00 60.65 58.22 2uwm h LYS 517 Cb -0.04 0.00 -0.10 0.00 -1.00 0.00 0.00 32.23 31.10 2uwm h LYS 517 CO -0.08 0.03 0.14 -0.07 -2.81 0.00 0.00 179.45 176.67 2uwm h LEU 518 N -0.04 0.00 -0.72 5.20 4.07 -1.02 0.19 115.31 123.00 2uwm h LEU 518 Ca -0.00 0.13 -0.02 0.00 0.08 0.00 0.00 57.88 58.07 2uwm h LEU 518 Cb 0.04 0.17 -0.03 0.00 1.08 0.00 0.00 40.66 41.92 2uwm h LEU 518 CO 0.00 -0.01 0.38 -0.07 -1.08 0.00 0.00 178.44 177.66 2uwm h LEU 519 N 0.26 0.91 -0.52 1.67 3.38 -0.91 0.48 115.31 120.58 2uwm h LEU 519 Ca 0.36 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 2uwm h LEU 519 Cb 0.56 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 2uwm h LEU 519 CO -0.45 0.76 0.28 0.11 0.09 0.00 0.00 178.44 179.23 2uwm h LYS 520 N 0.99 0.73 -0.38 1.13 1.57 -1.10 -1.84 116.57 117.68 2uwm h LYS 520 Ca 0.25 -0.09 -0.06 0.00 -1.87 0.00 0.00 60.65 58.88 2uwm h LYS 520 Cb 0.06 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 2uwm h LYS 520 CO -0.04 0.58 -0.01 -0.44 -0.57 0.00 0.00 179.45 178.97 2uwm h ASP 521 N 0.70 0.66 0.26 0.86 3.32 -0.36 -2.22 116.42 119.64 2uwm h ASP 521 Ca 0.18 -0.31 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 2uwm h ASP 521 Cb 0.06 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 2uwm h ASP 521 CO -0.03 0.81 -0.18 -0.07 -1.72 0.00 0.00 179.24 178.05 2uwm h LEU 522 N 0.49 -0.45 -1.11 1.55 4.07 -0.06 -1.19 115.31 118.61 2uwm h LEU 522 Ca 0.11 0.03 0.18 0.00 0.08 0.00 0.00 57.88 58.28 2uwm h LEU 522 Cb 0.47 0.14 -0.10 0.00 1.08 0.00 0.00 40.66 42.26 2uwm h LEU 522 CO 0.02 -0.28 0.61 -0.08 -1.08 0.00 0.00 178.44 177.63 2uwm h GLU 523 N -0.43 0.70 -0.15 1.13 4.81 -1.28 -1.97 114.58 117.39 2uwm h GLU 523 Ca -0.02 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.11 2uwm h GLU 523 Cb 0.37 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.59 2uwm h GLU 523 CO 0.01 0.46 -0.12 -0.44 -0.73 0.00 0.00 179.01 178.19 2uwm h ASP 524 N 0.72 0.37 -0.58 1.04 3.32 -1.15 -1.19 116.42 118.96 2uwm h ASP 524 Ca 0.55 -0.46 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 2uwm h ASP 524 Cb 0.90 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.32 2uwm h ASP 524 CO -0.32 0.75 0.36 0.50 -1.72 0.00 0.00 179.24 178.81 2uwm h LYS 525 N -0.01 0.78 -0.47 3.56 1.63 -0.73 -0.98 116.57 120.35 2uwm h LYS 525 Ca 0.03 -0.07 -0.13 0.00 -0.85 0.00 0.00 60.65 59.63 2uwm h LYS 525 Cb 0.64 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 32.09 2uwm h LYS 525 CO 0.03 0.55 -0.23 1.88 -3.45 0.00 0.00 179.45 178.23 2uwm h TYR 526 N 0.78 1.13 0.07 1.91 -1.99 -1.40 -0.92 116.97 116.55 2uwm h TYR 526 Ca 0.21 -0.28 0.00 0.00 2.00 0.00 0.00 58.73 60.66 2uwm h TYR 526 Cb -0.03 -0.26 -0.00 0.00 2.00 0.00 0.00 36.73 38.43 2uwm h TYR 526 CO -0.02 1.11 -0.05 -0.09 -0.00 0.00 0.00 178.16 179.10 2uwm h ARG 527 N 0.83 -0.12 -0.35 4.88 2.43 -1.00 -1.35 114.38 119.70 2uwm h ARG 527 Ca 0.10 0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 59.15 2uwm h ARG 527 Cb 0.81 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.38 2uwm h ARG 527 CO 0.07 -0.08 -0.30 0.28 -1.51 0.00 0.00 179.97 178.43 2uwm h VAL 528 N -0.13 1.28 0.00 0.20 2.07 -1.13 -3.05 116.25 115.49 2uwm h VAL 528 Ca -0.00 -1.44 -0.13 0.00 0.82 0.00 0.00 66.70 65.95 2uwm h VAL 528 Cb 0.11 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 2uwm h VAL 528 CO -0.00 0.47 -0.60 0.28 0.02 0.00 0.00 177.57 177.74 2uwm h SER 529 N 0.63 0.00 0.00 0.57 0.02 -1.15 -3.46 113.55 110.15 2uwm h SER 529 Ca 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 2uwm h SER 529 Cb 0.82 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.36 2uwm h SER 529 CO 0.07 0.60 0.00 -1.14 -1.14 0.00 0.00 176.83 175.22 2uwm n ARG 530 N -3.78 0.00 0.00 3.45 0.63 -0.51 -0.96 116.66 115.49 2uwm n ARG 530 Ca -0.01 0.00 0.13 0.00 -0.92 0.00 0.00 57.85 57.05 2uwm n ARG 530 Cb 0.61 0.00 0.33 0.00 0.45 0.00 0.00 32.46 33.85 2uwm n ARG 530 CO 0.00 0.00 0.00 0.91 -2.51 0.00 0.00 177.63 176.03 2uwm n TRP 531 N 0.00 0.00 -3.26 -0.14 8.01 -1.26 -3.88 117.44 116.90 2uwm n TRP 531 Ca 0.00 0.00 -0.27 0.00 -1.31 0.00 0.00 57.50 55.92 2uwm n TRP 531 Cb 0.00 -0.16 -0.07 0.00 -2.01 0.00 0.00 31.31 29.08 2uwm n TRP 531 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.69 177.72 2uwm n GLN 532 N -0.90 2.56 -1.50 -0.99 3.00 -0.14 -4.85 117.38 114.56 2uwm n GLN 532 Ca 0.10 -4.59 -0.33 0.00 -0.01 0.00 0.00 57.00 52.17 2uwm n GLN 532 Cb 0.35 -2.16 0.07 0.00 0.00 0.00 0.00 30.24 28.50 2uwm n GLN 532 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 2uwm s PRO 533 N -2.68 2.42 0.62 -1.09 0.04 -1.25 -4.81 135.00 128.25 2uwm s PRO 533 Ca 0.42 1.41 -0.17 0.00 0.04 0.00 0.00 61.00 62.70 2uwm s PRO 533 Cb 0.19 -1.90 -0.02 0.00 0.04 0.00 0.00 34.50 32.82 2uwm s PRO 533 CO -0.06 -1.55 1.14 -1.25 0.04 0.00 0.00 177.00 175.33 2uwm s PRO 534 N -4.30 2.90 0.72 0.56 0.04 -1.26 -4.99 135.00 128.67 2uwm s PRO 534 Ca 0.67 1.58 -0.11 0.00 0.04 0.00 0.00 61.00 63.18 2uwm s PRO 534 Cb -0.21 -1.95 0.03 0.00 0.04 0.00 0.00 34.50 32.41 2uwm s PRO 534 CO 0.47 -1.20 1.07 -1.54 0.04 0.00 0.00 177.00 175.84 2uwm s SER 535 N -2.10 5.08 0.21 6.66 1.04 -1.26 -4.55 113.70 118.77 2uwm s SER 535 Ca 0.71 1.64 -0.11 0.00 0.48 0.00 0.00 55.95 58.67 2uwm s SER 535 Cb -0.24 -2.46 0.27 0.00 0.10 0.00 0.00 66.02 63.69 2uwm s SER 535 CO 0.36 -1.64 1.68 0.15 0.98 0.00 0.00 173.24 174.78 2uwm h PHE 536 N -0.85 0.03 -0.02 5.02 3.57 -1.40 -1.10 116.94 122.19 2uwm h PHE 536 Ca -0.44 0.04 -0.14 0.00 3.53 0.00 0.00 57.97 60.96 2uwm h PHE 536 Cb 1.22 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 40.02 2uwm h PHE 536 CO 0.60 -0.11 -0.65 0.87 -2.23 0.00 0.00 178.31 176.78 2uwm h LYS 537 N 0.16 0.09 -0.51 1.11 1.57 -1.94 -0.46 116.57 116.60 2uwm h LYS 537 Ca 0.30 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 59.00 2uwm h LYS 537 Cb 0.47 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 2uwm h LYS 537 CO -0.46 0.71 0.28 0.93 -0.57 0.00 0.00 179.45 180.34 2uwm h GLU 538 N 0.07 0.71 -0.23 3.15 5.08 -1.82 -1.22 114.58 120.31 2uwm h GLU 538 Ca -0.01 -0.08 -0.10 0.00 -1.00 0.00 0.00 59.36 58.17 2uwm h GLU 538 Cb 1.16 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.27 2uwm h GLU 538 CO 0.09 0.55 -0.25 0.28 -1.00 0.00 0.00 179.01 178.68 2uwm h VAL 539 N 0.67 1.32 -0.94 3.13 2.07 -1.03 -1.16 116.25 120.32 2uwm h VAL 539 Ca 0.18 -1.43 0.08 0.00 0.82 0.00 0.00 66.70 66.35 2uwm h VAL 539 Cb 0.05 1.71 -0.07 0.00 -1.52 0.00 0.00 31.29 31.46 2uwm h VAL 539 CO -0.03 0.44 0.61 0.00 0.02 0.00 0.00 177.57 178.61 2uwm h ALA 540 N 0.66 1.51 -0.17 1.67 0.00 -1.07 -1.15 119.26 120.72 2uwm h ALA 540 Ca 0.03 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 2uwm h ALA 540 Cb 0.81 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 2uwm h ALA 540 CO 0.06 0.32 -0.27 0.78 0.00 0.00 0.00 179.25 180.15 2uwm h GLY 541 N 1.03 0.52 1.89 0.00 0.00 -1.02 -0.26 103.07 105.23 2uwm h GLY 541 Ca 0.42 -0.59 -0.17 0.00 0.00 0.00 0.00 47.33 46.99 2uwm h GLY 541 CO -0.17 0.53 -0.78 1.48 0.00 0.00 0.00 176.54 177.60 2uwm h SER 542 N 0.12 0.12 -0.10 0.19 4.64 -1.01 -2.97 113.55 114.54 2uwm h SER 542 Ca 0.01 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 2uwm h SER 542 Cb 0.85 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 2uwm h SER 542 CO 0.06 0.85 0.00 0.49 -0.87 0.00 0.00 176.83 177.36 2uwm n PHE 543 N -3.68 0.10 -3.59 4.77 3.01 -0.45 -4.99 117.46 112.63 2uwm n PHE 543 Ca -0.02 -0.05 -0.25 0.00 1.01 0.00 0.00 57.45 58.14 2uwm n PHE 543 Cb 0.74 0.00 0.04 0.00 -0.01 0.00 0.00 39.48 40.26 2uwm n PHE 543 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 2uwm n ASN 544 N 0.73 -4.25 -4.36 4.37 4.05 -0.71 -5.00 115.26 110.09 2uwm n ASN 544 Ca 0.17 -0.89 -0.31 0.00 0.45 0.00 0.00 54.58 54.00 2uwm n ASN 544 Cb 0.46 -4.00 -0.15 0.00 1.23 0.00 0.00 39.78 37.33 2uwm n ASN 544 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 2uwm s LEU 545 N -6.30 2.25 0.42 1.20 1.43 -0.19 -5.05 118.68 112.45 2uwm s LEU 545 Ca 0.32 -0.49 -0.26 0.00 -1.03 0.00 0.00 54.13 52.68 2uwm s LEU 545 Cb -0.09 -1.37 -0.08 0.00 0.03 0.00 0.00 46.19 44.68 2uwm s LEU 545 CO 0.82 0.29 1.32 -1.81 0.23 0.00 0.00 176.35 177.19 2uwm s ASP 546 N -1.01 6.20 0.38 2.29 -0.00 -1.26 -4.74 116.67 118.54 2uwm s ASP 546 Ca 0.12 2.68 0.15 0.00 -0.00 0.00 0.00 52.55 55.50 2uwm s ASP 546 Cb -0.10 -2.64 1.01 0.00 -0.00 0.00 0.00 42.92 41.19 2uwm s ASP 546 CO 0.01 -0.93 1.80 -0.65 -0.00 0.00 0.00 175.17 175.40 2uwm h PRO 547 N 2.55 0.47 -0.33 8.23 0.11 -1.99 -1.71 132.00 139.34 2uwm h PRO 547 Ca -0.50 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.45 2uwm h PRO 547 Cb 1.25 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 2uwm h PRO 547 CO 0.62 0.31 -0.32 0.66 -0.21 0.00 0.00 178.00 179.06 2uwm h SER 548 N 0.49 0.74 -0.31 -2.05 4.64 -1.98 -0.97 113.55 114.11 2uwm h SER 548 Ca 0.56 -0.30 -0.15 0.00 -0.47 0.00 0.00 61.79 61.43 2uwm h SER 548 Cb 1.26 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 63.14 2uwm h SER 548 CO -0.28 1.01 -0.37 -0.08 -0.87 0.00 0.00 176.83 176.23 2uwm h GLU 549 N 0.60 0.80 -0.58 4.77 4.81 -1.74 -1.14 114.58 122.11 2uwm h GLU 549 Ca 0.07 -0.45 0.01 0.00 -0.13 0.00 0.00 59.36 58.86 2uwm h GLU 549 Cb 0.84 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.22 2uwm h GLU 549 CO 0.07 1.08 0.38 1.25 -0.73 0.00 0.00 179.01 181.06 2uwm h LEU 550 N 0.57 0.66 -0.42 1.64 5.85 -1.29 -2.28 115.31 120.04 2uwm h LEU 550 Ca 0.04 -0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.79 2uwm h LEU 550 Cb 0.96 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.78 2uwm h LEU 550 CO 0.09 0.48 0.16 -0.08 -0.34 0.00 0.00 178.44 178.76 2uwm h GLU 551 N 0.78 0.33 -0.78 1.25 4.57 -1.12 0.22 114.58 119.84 2uwm h GLU 551 Ca 0.21 -0.02 0.09 0.00 -1.18 0.00 0.00 59.36 58.46 2uwm h GLU 551 Cb -0.09 -0.07 -0.07 0.00 -0.16 0.00 0.00 28.75 28.36 2uwm h GLU 551 CO -0.05 0.22 0.43 1.49 -1.18 0.00 0.00 179.01 179.93 2uwm h GLU 552 N 0.34 0.72 -0.01 1.92 4.81 -0.81 0.20 114.58 121.75 2uwm h GLU 552 Ca 0.19 -0.04 -0.17 0.00 -0.13 0.00 0.00 59.36 59.21 2uwm h GLU 552 Cb 0.16 -0.16 0.01 0.00 0.63 0.00 0.00 28.75 29.39 2uwm h GLU 552 CO -0.18 0.48 -0.64 -0.07 -0.73 0.00 0.00 179.01 177.86 2uwm h LEU 553 N 0.74 0.58 -0.78 1.64 3.38 -0.93 -2.89 115.31 117.06 2uwm h LEU 553 Ca 0.37 -0.75 -0.04 0.00 0.09 0.00 0.00 57.88 57.56 2uwm h LEU 553 Cb 0.33 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 2uwm h LEU 553 CO -0.24 1.25 0.33 -0.07 0.09 0.00 0.00 178.44 179.81 2uwm h LEU 554 N -0.03 1.06 -1.19 1.67 3.38 -0.87 -2.52 115.31 116.81 2uwm h LEU 554 Ca -0.08 -0.16 0.06 0.00 0.09 0.00 0.00 57.88 57.79 2uwm h LEU 554 Cb 1.34 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.77 2uwm h LEU 554 CO 0.13 0.92 0.56 -0.74 0.09 0.00 0.00 178.44 179.40 2uwm h HIS 555 N 1.12 1.00 -0.13 1.13 2.76 -1.00 0.97 115.15 120.99 2uwm h HIS 555 Ca 0.26 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.44 2uwm h HIS 555 Cb 0.18 -0.33 -0.01 0.00 1.55 0.00 0.00 27.41 28.81 2uwm h HIS 555 CO 0.02 0.54 0.02 -0.92 -1.30 0.00 0.00 177.93 176.28 2uwm h TYR 556 N 1.00 0.24 -0.37 5.26 3.20 -1.28 0.55 116.97 125.56 2uwm h TYR 556 Ca 0.36 -0.03 -0.04 0.00 3.14 0.00 0.00 58.73 62.16 2uwm h TYR 556 Cb 0.16 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.34 2uwm h TYR 556 CO -0.00 0.41 0.05 -0.07 -1.64 0.00 0.00 178.16 176.91 2uwm h LEU 557 N -0.01 0.52 -0.13 2.82 3.38 -1.03 -0.91 115.31 119.95 2uwm h LEU 557 Ca 0.04 -0.09 -0.12 0.00 0.09 0.00 0.00 57.88 57.80 2uwm h LEU 557 Cb 0.31 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2uwm h LEU 557 CO 0.00 0.56 -0.39 0.58 0.09 0.00 0.00 178.44 179.28 2uwm h VAL 558 N 0.54 1.36 -0.69 1.22 2.07 -0.70 -0.27 116.25 119.79 2uwm h VAL 558 Ca 0.12 -1.69 0.13 0.00 0.82 0.00 0.00 66.70 66.09 2uwm h VAL 558 Cb 0.28 2.08 -0.09 0.00 -1.52 0.00 0.00 31.29 32.04 2uwm h VAL 558 CO 0.00 0.51 0.22 0.03 0.02 0.00 0.00 177.57 178.35 2uwm h ARG 559 N 0.11 0.35 0.00 1.57 3.08 -0.81 -2.92 114.38 115.76 2uwm h ARG 559 Ca -0.01 -0.02 -0.11 0.00 0.07 0.00 0.00 59.98 59.90 2uwm h ARG 559 Cb 1.01 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.97 2uwm h ARG 559 CO 0.08 0.23 -0.54 1.49 -1.07 0.00 0.00 179.97 180.17 2uwm h GLU 560 N 0.36 0.00 0.00 0.04 4.81 -1.10 -3.42 114.58 115.27 2uwm h GLU 560 Ca 0.37 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.60 2uwm h GLU 560 Cb 0.56 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.94 2uwm h GLU 560 CO -0.41 0.54 0.00 0.41 -0.73 0.00 0.00 179.01 178.82 2uwm n GLY 561 N 0.04 0.78 0.23 1.92 0.00 -0.51 -2.52 105.19 105.13 2uwm n GLY 561 Ca -0.01 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.85 2uwm n GLY 561 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2uwm h VAL 562 N 0.00 1.28 -3.39 1.61 2.07 -1.37 -3.42 116.25 113.04 2uwm h VAL 562 Ca 0.00 -1.88 -0.66 0.00 0.82 0.00 0.00 66.70 64.97 2uwm h VAL 562 Cb 0.00 1.84 -0.19 0.00 -1.52 0.00 0.00 31.29 31.43 2uwm h VAL 562 CO 0.00 0.60 -0.82 -0.76 0.02 0.00 0.00 177.57 176.61 2uwm s LEU 563 N -8.50 2.51 -0.07 2.57 1.43 -1.08 -0.75 118.68 114.80 2uwm s LEU 563 Ca -0.10 -0.77 0.03 0.00 -1.03 0.00 0.00 54.13 52.26 2uwm s LEU 563 Cb 0.09 -1.29 0.01 0.00 0.03 0.00 0.00 46.19 45.03 2uwm s LEU 563 CO 0.90 0.14 -0.16 -0.69 0.23 0.00 0.00 176.35 176.76 2uwm s VAL 564 N -1.48 1.42 -0.40 -1.59 1.01 0.79 -4.07 120.40 116.09 2uwm s VAL 564 Ca 0.19 -0.66 -0.28 0.00 0.00 0.00 0.00 61.98 61.23 2uwm s VAL 564 Cb -0.09 -1.26 0.02 0.00 0.00 0.00 0.00 36.38 35.06 2uwm s VAL 564 CO 0.10 0.42 1.08 -0.75 0.00 0.00 0.00 175.10 175.94 2uwm s LYS 565 N 0.48 3.88 -0.08 2.72 2.20 -1.26 -0.54 119.74 127.13 2uwm s LYS 565 Ca -0.14 0.77 -0.17 0.00 -0.36 0.00 0.00 55.97 56.06 2uwm s LYS 565 Cb -0.16 -3.82 -0.29 0.00 -1.51 0.00 0.00 37.83 32.05 2uwm s LYS 565 CO 0.05 -1.12 0.69 0.82 -0.36 0.00 0.00 175.35 175.43 2uwm h ILE 566 N 5.96 1.19 -2.41 5.43 5.03 -1.38 -3.49 117.51 127.84 2uwm h ILE 566 Ca -0.22 -2.46 -0.03 0.00 -0.12 0.00 0.00 64.86 62.03 2uwm h ILE 566 Cb 1.06 2.88 -0.00 0.00 -3.03 0.00 0.00 36.82 37.73 2uwm h ILE 566 CO 1.07 0.72 0.07 -0.46 -0.68 0.00 0.00 178.15 178.86 2uwm n ASN 567 N -3.96 -0.73 -0.19 1.72 0.23 -0.82 -4.66 115.26 106.86 2uwm n ASN 567 Ca -0.21 -1.57 0.06 0.00 -0.53 0.00 0.00 54.58 52.33 2uwm n ASN 567 Cb 0.90 1.23 0.35 0.00 -2.08 0.00 0.00 39.78 40.18 2uwm n ASN 567 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 2uwm h ASP 568 N 0.68 0.67 0.24 0.53 3.32 -2.03 -2.80 116.42 117.02 2uwm h ASP 568 Ca -0.11 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.62 2uwm h ASP 568 Cb 0.42 -0.14 0.03 0.00 0.22 0.00 0.00 39.33 39.87 2uwm h ASP 568 CO 0.14 0.43 -1.46 -0.08 -1.72 0.00 0.00 179.24 176.56 2uwm h GLU 569 N 0.76 0.50 -5.06 3.56 4.81 -1.99 -3.44 114.58 113.72 2uwm h GLU 569 Ca 0.32 -0.85 -0.67 0.00 -0.13 0.00 0.00 59.36 58.03 2uwm h GLU 569 Cb 0.26 0.32 -0.33 0.00 0.63 0.00 0.00 28.75 29.64 2uwm h GLU 569 CO -0.11 1.41 -0.82 -0.06 -0.73 0.00 0.00 179.01 178.70 2uwm s PHE 570 N -2.58 2.82 -0.02 0.92 2.99 -1.06 -1.11 117.98 119.95 2uwm s PHE 570 Ca -0.11 -1.40 -0.01 0.00 0.00 0.00 0.00 56.93 55.41 2uwm s PHE 570 Cb 0.04 -1.96 -0.04 0.00 0.00 0.00 0.00 43.02 41.06 2uwm s PHE 570 CO 0.92 -0.70 0.10 0.71 -0.00 0.00 0.00 175.22 176.24 2uwm s TYR 571 N 1.28 3.35 -0.01 0.36 1.51 -1.26 -0.91 117.35 121.67 2uwm s TYR 571 Ca 0.04 0.26 0.06 0.00 -1.01 0.00 0.00 57.07 56.42 2uwm s TYR 571 Cb -0.14 -1.78 -0.03 0.00 -0.11 0.00 0.00 41.96 39.91 2uwm s TYR 571 CO -0.09 0.58 -0.18 -1.58 -1.11 0.00 0.00 175.55 173.17 2uwm s TRP 572 N -1.18 2.58 0.39 2.71 0.52 0.29 -4.76 118.94 119.50 2uwm s TRP 572 Ca 0.22 -0.25 -0.27 0.00 0.02 0.00 0.00 56.10 55.82 2uwm s TRP 572 Cb -0.12 -1.55 -0.09 0.00 -1.15 0.00 0.00 33.47 30.56 2uwm s TRP 572 CO 0.13 0.16 1.38 -1.58 0.02 0.00 0.00 176.95 177.06 2uwm s HIS 573 N -0.77 2.72 0.22 -1.98 2.46 -1.26 -0.15 115.29 116.54 2uwm s HIS 573 Ca 0.12 1.32 -0.08 0.00 0.47 0.00 0.00 55.06 56.89 2uwm s HIS 573 Cb -0.10 -3.82 0.36 0.00 -0.13 0.00 0.00 32.58 28.89 2uwm s HIS 573 CO 0.02 -2.46 1.71 -0.09 -2.47 0.00 0.00 174.74 171.44 2uwm h ARG 574 N 2.82 0.30 -0.53 2.88 2.43 -1.18 -1.18 114.38 119.91 2uwm h ARG 574 Ca -0.50 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 58.56 2uwm h ARG 574 Cb 1.24 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.71 2uwm h ARG 574 CO 0.63 0.20 -0.02 1.96 -1.51 0.00 0.00 179.97 181.23 2uwm h GLN 575 N 0.31 0.93 -0.21 0.20 4.20 -1.92 -0.59 115.11 118.03 2uwm h GLN 575 Ca 0.35 -0.28 -0.00 0.00 0.06 0.00 0.00 58.65 58.78 2uwm h GLN 575 Cb 0.54 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 2uwm h GLN 575 CO -0.42 0.93 0.12 0.00 -0.67 0.00 0.00 178.83 178.80 2uwm h ALA 576 N 1.11 0.27 -0.53 3.87 0.00 -1.72 -0.97 119.26 121.31 2uwm h ALA 576 Ca 0.15 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 2uwm h ALA 576 Cb 0.53 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2uwm h ALA 576 CO 0.03 -0.20 -0.01 1.25 0.00 0.00 0.00 179.25 180.32 2uwm h LEU 577 N 0.25 0.87 -0.02 0.00 5.85 -1.08 -0.62 115.31 120.57 2uwm h LEU 577 Ca 0.08 -0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.57 2uwm h LEU 577 Cb 0.05 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 40.85 2uwm h LEU 577 CO -0.01 0.94 0.01 1.23 -0.34 0.00 0.00 178.44 180.27 2uwm h GLY 578 N 0.99 0.03 1.05 3.75 0.00 -0.96 0.34 103.07 108.27 2uwm h GLY 578 Ca 0.15 -0.01 -0.05 0.00 0.00 0.00 0.00 47.33 47.42 2uwm h GLY 578 CO 0.03 0.01 0.30 0.83 0.00 0.00 0.00 176.54 177.71 2uwm h GLU 579 N -0.00 1.17 -0.58 4.80 4.39 -1.07 -2.06 114.58 121.23 2uwm h GLU 579 Ca 0.01 -0.22 -0.03 0.00 0.34 0.00 0.00 59.36 59.46 2uwm h GLU 579 Cb 0.03 -0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 28.47 2uwm h GLU 579 CO -0.00 0.95 0.24 0.00 -1.16 0.00 0.00 179.01 179.04 2uwm h ALA 580 N 1.16 1.34 -0.45 3.43 0.00 -0.83 -1.70 119.26 122.22 2uwm h ALA 580 Ca 0.26 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 2uwm h ALA 580 Cb 0.23 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2uwm h ALA 580 CO -0.02 0.50 -0.07 0.00 0.00 0.00 0.00 179.25 179.66 2uwm h ARG 581 N 0.82 0.78 -0.33 0.00 3.08 -0.57 -0.75 114.38 117.41 2uwm h ARG 581 Ca 0.20 -0.24 0.01 0.00 0.07 0.00 0.00 59.98 60.02 2uwm h ARG 581 Cb 0.14 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 2uwm h ARG 581 CO -0.02 0.83 0.20 0.93 -1.07 0.00 0.00 179.97 180.84 2uwm h GLU 582 N 0.71 0.39 -0.63 0.04 4.39 -0.84 -0.19 114.58 118.46 2uwm h GLU 582 Ca 0.13 -0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.84 2uwm h GLU 582 Cb 0.53 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 29.05 2uwm h GLU 582 CO 0.03 0.26 0.37 0.28 -1.16 0.00 0.00 179.01 178.79 2uwm h VAL 583 N 0.40 1.03 -0.60 3.13 2.07 -1.10 -1.24 116.25 119.94 2uwm h VAL 583 Ca 0.13 -0.25 -0.05 0.00 0.82 0.00 0.00 66.70 67.35 2uwm h VAL 583 Cb -0.01 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 29.99 2uwm h VAL 583 CO -0.06 0.13 0.17 0.40 0.02 0.00 0.00 177.57 178.23 2uwm h ILE 584 N 0.72 1.25 -0.30 4.57 1.08 -0.88 -0.83 117.51 123.11 2uwm h ILE 584 Ca 0.26 -0.87 0.03 0.00 -0.39 0.00 0.00 64.86 63.90 2uwm h ILE 584 Cb 0.08 0.66 -0.03 0.00 -3.07 0.00 0.00 36.82 34.46 2uwm h ILE 584 CO -0.13 0.33 0.11 0.11 -0.69 0.00 0.00 178.15 177.87 2uwm h LYS 585 N 0.87 0.24 -0.45 2.37 1.57 -0.73 0.37 116.57 120.80 2uwm h LYS 585 Ca 0.19 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 59.01 2uwm h LYS 585 Cb 0.32 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.53 2uwm h LYS 585 CO -0.00 0.16 0.18 -0.91 -0.57 0.00 0.00 179.45 178.30 2uwm h ASN 586 N 0.24 0.21 -0.15 0.86 -0.26 -0.98 -1.79 115.58 113.73 2uwm h ASN 586 Ca 0.13 0.05 -0.00 0.00 -0.56 0.00 0.00 56.30 55.91 2uwm h ASN 586 Cb 0.09 0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 37.36 2uwm h ASN 586 CO -0.13 0.16 0.07 0.25 -1.06 0.00 0.00 177.43 176.72 2uwm h LEU 587 N 0.36 0.19 -1.65 1.61 5.85 -0.86 -2.89 115.31 117.93 2uwm h LEU 587 Ca 0.21 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 2uwm h LEU 587 Cb 0.19 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.16 2uwm h LEU 587 CO -0.20 0.24 -0.14 0.00 -0.34 0.00 0.00 178.44 178.00 2uwm h ALA 588 N 0.96 1.15 0.00 1.25 0.00 -0.83 -2.89 119.26 118.90 2uwm h ALA 588 Ca 0.05 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2uwm h ALA 588 Cb 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2uwm h ALA 588 CO -0.01 0.18 0.00 0.66 0.00 0.00 0.00 179.25 180.08 2uwm h SER 589 N 0.00 0.00 0.04 0.00 4.64 -1.09 -1.43 113.55 115.71 2uwm h SER 589 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2uwm h SER 589 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 2uwm h SER 589 CO 0.02 0.00 -0.22 0.35 -0.87 0.00 0.00 176.83 176.11 2uwm n THR 590 N -3.00 0.00 0.00 2.95 -2.24 -1.09 -5.05 114.28 105.85 2uwm n THR 590 Ca -0.01 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 2uwm n THR 590 Cb 0.16 0.96 0.00 0.00 -2.10 0.00 0.00 70.33 69.34 2uwm n THR 590 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2uwm n GLY 591 N 1.34 2.97 3.76 3.38 0.00 -0.54 -5.10 105.19 111.00 2uwm n GLY 591 Ca 0.13 -1.89 -0.40 0.00 0.00 0.00 0.00 46.02 43.86 2uwm n GLY 591 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2uwm n PRO 592 N -1.60 2.09 -4.32 1.61 -0.02 -1.26 -4.26 135.00 127.23 2uwm n PRO 592 Ca 0.00 0.75 -0.25 0.00 -2.02 0.00 0.00 63.50 61.98 2uwm n PRO 592 Cb 0.00 -2.62 -0.12 0.00 -0.02 0.00 0.00 33.50 30.74 2uwm n PRO 592 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 2uwm s PHE 593 N -1.22 1.92 0.52 6.00 -0.71 -0.11 -4.86 117.98 119.53 2uwm s PHE 593 Ca 0.64 -0.42 0.03 0.00 -1.04 0.00 0.00 56.93 56.15 2uwm s PHE 593 Cb -0.44 -1.03 0.03 0.00 -1.21 0.00 0.00 43.02 40.38 2uwm s PHE 593 CO 0.55 0.27 0.73 0.20 -1.34 0.00 0.00 175.22 175.63 2uwm s GLY 594 N -2.12 1.86 0.24 1.99 0.00 -1.26 -0.55 107.32 107.47 2uwm s GLY 594 Ca 0.10 -1.45 -0.05 0.00 0.00 0.00 0.00 44.72 43.32 2uwm s GLY 594 CO 0.05 -1.18 1.85 -2.00 0.00 0.00 0.00 173.10 171.82 2uwm h LEU 595 N 0.21 0.82 -0.55 0.66 5.85 -1.99 -1.79 115.31 118.52 2uwm h LEU 595 Ca -0.41 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.26 2uwm h LEU 595 Cb 1.29 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.15 2uwm h LEU 595 CO 0.50 0.52 0.08 0.00 -0.34 0.00 0.00 178.44 179.19 2uwm h ALA 596 N 1.41 0.73 -0.36 1.25 0.00 -1.97 -1.16 119.26 119.16 2uwm h ALA 596 Ca 0.38 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 2uwm h ALA 596 Cb 0.20 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2uwm h ALA 596 CO -0.18 0.49 -0.17 0.93 0.00 0.00 0.00 179.25 180.31 2uwm h GLU 597 N 0.81 0.68 -0.50 0.00 3.07 -1.85 -0.61 114.58 116.16 2uwm h GLU 597 Ca 0.16 -0.24 -0.13 0.00 -0.50 0.00 0.00 59.36 58.66 2uwm h GLU 597 Cb 0.43 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.28 2uwm h GLU 597 CO 0.01 0.81 -0.18 0.00 -1.40 0.00 0.00 179.01 178.25 2uwm h ALA 598 N 1.20 0.70 -0.84 3.43 0.00 -1.12 -0.62 119.26 122.02 2uwm h ALA 598 Ca 0.10 -0.38 0.01 0.00 0.00 0.00 0.00 54.91 54.64 2uwm h ALA 598 Cb 0.64 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 2uwm h ALA 598 CO 0.04 0.67 0.55 -0.09 0.00 0.00 0.00 179.25 180.43 2uwm h ARG 599 N 0.88 1.08 -0.13 0.00 1.12 -1.03 -1.52 114.38 114.79 2uwm h ARG 599 Ca 0.12 -0.07 -0.00 0.00 -1.11 0.00 0.00 59.98 58.92 2uwm h ARG 599 Cb 0.76 -0.24 -0.01 0.00 -0.01 0.00 0.00 29.97 30.47 2uwm h ARG 599 CO 0.06 0.72 0.07 -0.44 -3.11 0.00 0.00 179.97 177.27 2uwm h ASP 600 N 1.12 0.16 0.00 -3.80 3.32 -0.91 -1.15 116.42 115.16 2uwm h ASP 600 Ca 0.31 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.28 2uwm h ASP 600 Cb -0.11 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.40 2uwm h ASP 600 CO -0.08 0.20 -0.00 0.00 -1.72 0.00 0.00 179.24 177.64 2uwm h ALA 601 N 0.97 1.92 -0.02 3.45 0.00 -0.73 -1.96 119.26 122.88 2uwm h ALA 601 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2uwm h ALA 601 Cb 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2uwm h ALA 601 CO -0.01 0.00 -0.08 1.28 0.00 0.00 0.00 179.25 180.45 2uwm n LEU 602 N -4.42 2.57 -3.95 0.00 4.77 -0.61 -4.97 117.00 110.39 2uwm n LEU 602 Ca -0.03 -0.87 -0.31 0.00 -0.03 0.00 0.00 56.01 54.78 2uwm n LEU 602 Cb 0.09 -0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.20 2uwm n LEU 602 CO 0.33 0.44 0.08 0.61 -1.33 0.00 0.00 177.39 177.51 2uwm n GLY 603 N 1.33 -0.48 0.00 -0.72 0.00 -0.55 -4.95 105.19 99.83 2uwm n GLY 603 Ca 0.14 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.34 2uwm n GLY 603 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2uwm n SER 604 N -2.82 0.67 -4.23 1.61 2.88 -0.55 -5.05 113.62 106.13 2uwm n SER 604 Ca 0.03 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.43 2uwm n SER 604 Cb 0.53 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.89 2uwm n SER 604 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2uwm s SER 605 N 0.72 1.37 0.35 -3.46 1.04 -1.26 -4.89 113.70 107.57 2uwm s SER 605 Ca 0.00 -1.10 0.02 0.00 0.48 0.00 0.00 55.95 55.35 2uwm s SER 605 Cb 0.00 0.08 0.62 0.00 0.10 0.00 0.00 66.02 66.81 2uwm s SER 605 CO 0.00 -0.49 2.00 0.03 0.98 0.00 0.00 173.24 175.77 2uwm h ARG 606 N 2.76 0.85 -0.94 4.02 3.08 -1.96 -1.02 114.38 121.17 2uwm h ARG 606 Ca -0.36 -0.05 0.17 0.00 0.07 0.00 0.00 59.98 59.80 2uwm h ARG 606 Cb 1.19 -0.19 -0.08 0.00 0.08 0.00 0.00 29.97 30.97 2uwm h ARG 606 CO 0.64 0.57 0.60 -0.22 -1.07 0.00 0.00 179.97 180.48 2uwm h LYS 607 N 0.87 0.65 0.04 0.04 3.64 -2.01 -1.44 116.57 118.35 2uwm h LYS 607 Ca 0.23 -0.04 -0.34 0.00 -1.27 0.00 0.00 60.65 59.23 2uwm h LYS 607 Cb -0.09 -0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 31.54 2uwm h LYS 607 CO -0.05 0.43 -2.06 0.66 -2.27 0.00 0.00 179.45 176.16 2uwm n TYR 608 N -4.61 0.71 0.03 1.91 4.02 -0.82 -4.45 117.16 113.95 2uwm n TYR 608 Ca 0.20 0.20 -0.19 0.00 -0.01 0.00 0.00 57.90 58.10 2uwm n TYR 608 Cb 0.55 -1.11 -0.11 0.00 -0.02 0.00 0.00 39.34 38.65 2uwm n TYR 608 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 2uwm h VAL 609 N 0.02 1.35 0.22 -0.72 2.07 -1.04 -3.14 116.25 115.01 2uwm h VAL 609 Ca -0.43 -2.20 -0.00 0.00 0.82 0.00 0.00 66.70 64.89 2uwm h VAL 609 Cb 2.05 2.53 -0.01 0.00 -1.52 0.00 0.00 31.29 34.34 2uwm h VAL 609 CO 0.04 0.66 -0.17 0.25 0.02 0.00 0.00 177.57 178.37 2uwm h LEU 610 N 0.15 -0.45 -0.92 2.57 5.85 -1.49 -0.76 115.31 120.26 2uwm h LEU 610 Ca -0.11 0.04 0.18 0.00 0.84 0.00 0.00 57.88 58.82 2uwm h LEU 610 Cb 1.56 0.15 -0.11 0.00 0.37 0.00 0.00 40.66 42.63 2uwm h LEU 610 CO 0.17 -0.27 0.50 -0.65 -0.34 0.00 0.00 178.44 177.85 2uwm h PRO 611 N -0.40 0.61 -0.24 5.25 0.11 -1.78 -0.10 132.00 135.45 2uwm h PRO 611 Ca -0.01 -0.04 0.05 0.00 0.11 0.00 0.00 66.00 66.12 2uwm h PRO 611 Cb 0.36 -0.14 -0.06 0.00 0.11 0.00 0.00 31.00 31.27 2uwm h PRO 611 CO -0.01 0.41 -0.13 1.25 -0.21 0.00 0.00 178.00 179.31 2uwm h LEU 612 N 0.63 -0.42 -0.95 2.35 5.85 -1.31 -1.91 115.31 119.55 2uwm h LEU 612 Ca 0.53 0.10 -0.08 0.00 0.84 0.00 0.00 57.88 59.27 2uwm h LEU 612 Cb 0.84 0.23 -0.02 0.00 0.37 0.00 0.00 40.66 42.08 2uwm h LEU 612 CO -0.41 -0.16 -0.07 -0.07 -0.34 0.00 0.00 178.44 177.39 2uwm h LEU 613 N -0.10 0.67 -0.69 2.25 3.38 -0.25 -0.69 115.31 119.88 2uwm h LEU 613 Ca 0.13 -0.17 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 2uwm h LEU 613 Cb 0.30 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 2uwm h LEU 613 CO -0.30 0.78 -0.11 -0.33 0.09 0.00 0.00 178.44 178.57 2uwm h GLU 614 N 0.64 0.90 -0.29 1.13 5.08 -0.89 -0.98 114.58 120.17 2uwm h GLU 614 Ca 0.12 -0.32 -0.00 0.00 -1.00 0.00 0.00 59.36 58.16 2uwm h GLU 614 Cb 0.50 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 2uwm h GLU 614 CO 0.03 0.96 0.16 -0.92 -1.00 0.00 0.00 179.01 178.24 2uwm h TYR 615 N 0.80 0.39 0.00 4.33 3.20 -1.04 -1.99 116.97 122.67 2uwm h TYR 615 Ca 0.13 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.94 2uwm h TYR 615 Cb 0.64 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.77 2uwm h TYR 615 CO 0.04 0.32 -0.23 -0.07 -1.64 0.00 0.00 178.16 176.57 2uwm h LEU 616 N 0.36 0.00 -0.21 2.82 3.38 -0.90 -1.58 115.31 119.18 2uwm h LEU 616 Ca 0.10 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.90 2uwm h LEU 616 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2uwm h LEU 616 CO -0.02 0.23 -0.55 0.44 0.09 0.00 0.00 178.44 178.63 2uwm h ASP 617 N 0.00 0.84 -0.19 -0.43 3.32 -1.07 0.10 116.42 118.99 2uwm h ASP 617 Ca -0.00 -0.57 -0.13 0.00 0.02 0.00 0.00 57.03 56.35 2uwm h ASP 617 Cb 0.61 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 2uwm h ASP 617 CO 0.03 1.27 -0.31 -0.61 -1.72 0.00 0.00 179.24 177.89 2uwm h GLN 618 N 0.46 0.69 -0.10 3.56 5.75 -0.78 -2.68 115.11 122.01 2uwm h GLN 618 Ca -0.01 -0.31 0.00 0.00 -0.15 0.00 0.00 58.65 58.18 2uwm h GLN 618 Cb 1.17 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.70 2uwm h GLN 618 CO 0.12 0.91 0.00 1.33 -2.65 0.00 0.00 178.83 178.54 2uwm n VAL 619 N -4.08 0.13 -2.51 2.39 0.24 -0.65 -4.94 118.33 108.92 2uwm n VAL 619 Ca -0.01 -0.22 -0.19 0.00 -2.04 0.00 0.00 64.34 61.88 2uwm n VAL 619 Cb 0.48 0.13 0.00 0.00 -1.47 0.00 0.00 33.84 32.98 2uwm n VAL 619 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2uwm n LYS 620 N -0.09 -2.28 -0.02 7.34 4.76 -1.01 -4.90 118.16 121.97 2uwm n LYS 620 Ca 0.15 0.90 -0.16 0.00 -2.87 0.00 0.00 58.31 56.34 2uwm n LYS 620 Cb 0.23 -5.50 -0.12 0.00 -1.84 0.00 0.00 35.03 27.80 2uwm n LYS 620 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 2uwm h PHE 621 N -0.32 0.34 -1.84 2.13 3.57 -1.11 -3.42 116.94 116.28 2uwm h PHE 621 Ca -0.46 -0.19 -0.54 0.00 3.53 0.00 0.00 57.97 60.30 2uwm h PHE 621 Cb 1.34 -0.04 -0.07 0.00 2.79 0.00 0.00 35.95 39.97 2uwm h PHE 621 CO 0.50 1.02 -0.52 0.95 -2.23 0.00 0.00 178.31 178.02 2uwm s THR 622 N -3.04 2.98 -0.02 4.41 -4.23 -0.52 -1.37 115.64 113.85 2uwm s THR 622 Ca -0.15 -1.67 0.01 0.00 -1.18 0.00 0.00 61.69 58.70 2uwm s THR 622 Cb 0.01 -2.99 0.01 0.00 1.34 0.00 0.00 72.50 70.87 2uwm s THR 622 CO 0.76 -0.16 -0.02 -0.60 -0.54 0.00 0.00 174.62 174.06 2uwm s ARG 623 N -3.87 0.36 -0.12 3.99 3.52 0.11 -4.16 118.95 118.79 2uwm s ARG 623 Ca 0.38 -0.06 -0.18 0.00 -0.13 0.00 0.00 55.73 55.75 2uwm s ARG 623 Cb -0.02 -0.42 -0.04 0.00 -1.56 0.00 0.00 34.95 32.91 2uwm s ARG 623 CO 0.23 -0.01 0.45 0.50 -0.81 0.00 0.00 175.30 175.66 2uwm s ARG 624 N 0.40 4.31 -0.22 5.12 3.52 -1.26 -1.72 118.95 129.11 2uwm s ARG 624 Ca -0.04 0.41 -0.02 0.00 -0.13 0.00 0.00 55.73 55.95 2uwm s ARG 624 Cb -0.07 -3.42 0.07 0.00 -1.56 0.00 0.00 34.95 29.96 2uwm s ARG 624 CO -0.01 0.20 0.04 0.08 -0.81 0.00 0.00 175.30 174.80 2uwm s VAL 625 N 0.51 0.63 0.00 7.11 1.01 0.17 -4.99 120.40 124.84 2uwm s VAL 625 Ca 0.25 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.46 2uwm s VAL 625 Cb -0.15 -1.20 0.00 0.00 0.00 0.00 0.00 36.38 35.03 2uwm s VAL 625 CO 0.10 -0.31 0.00 0.61 0.00 0.00 0.00 175.10 175.50 2uwm n GLY 626 N 5.00 3.96 1.82 4.51 0.00 -1.26 -0.89 105.19 118.32 2uwm n GLY 626 Ca -0.08 0.02 0.01 0.00 0.00 0.00 0.00 46.02 45.97 2uwm n GLY 626 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2uwm n ASP 627 N 7.01 5.07 -4.52 1.61 8.00 -1.26 -4.95 116.55 127.51 2uwm n ASP 627 Ca 0.00 -3.10 -0.24 0.00 0.71 0.00 0.00 54.79 52.16 2uwm n ASP 627 Cb 0.00 -0.70 -0.09 0.00 -0.02 0.00 0.00 41.12 40.31 2uwm n ASP 627 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2uwm s LYS 628 N -2.90 1.84 0.09 -1.24 1.02 -0.07 -4.50 119.74 113.98 2uwm s LYS 628 Ca 0.53 -1.67 0.08 0.00 0.02 0.00 0.00 55.97 54.93 2uwm s LYS 628 Cb 0.42 -1.88 -0.03 0.00 -0.52 0.00 0.00 37.83 35.82 2uwm s LYS 628 CO 0.14 0.34 -0.20 1.03 -0.92 0.00 0.00 175.35 175.74 2uwm s ARG 629 N -3.53 1.12 0.28 1.68 0.52 0.28 0.41 118.95 119.70 2uwm s ARG 629 Ca 0.30 -1.09 0.09 0.00 -0.52 0.00 0.00 55.73 54.51 2uwm s ARG 629 Cb -0.05 -1.33 -0.05 0.00 0.52 0.00 0.00 34.95 34.03 2uwm s ARG 629 CO 0.16 0.31 -0.13 0.14 0.02 0.00 0.00 175.30 175.80 2uwm s VAL 630 N -1.11 2.07 -0.15 3.52 -7.23 -0.70 -0.93 120.40 115.86 2uwm s VAL 630 Ca 0.05 -2.25 -0.21 0.00 -1.81 0.00 0.00 61.98 57.76 2uwm s VAL 630 Cb -0.10 -2.36 -0.03 0.00 0.56 0.00 0.00 36.38 34.45 2uwm s VAL 630 CO 0.04 -0.38 0.62 -0.69 -0.31 0.00 0.00 175.10 174.38 2uwm s VAL 631 N -2.75 5.06 0.33 1.32 1.01 -1.26 -0.71 120.40 123.39 2uwm s VAL 631 Ca 0.29 1.20 -0.27 0.00 0.00 0.00 0.00 61.98 63.20 2uwm s VAL 631 Cb -0.00 -3.94 -0.09 0.00 0.00 0.00 0.00 36.38 32.34 2uwm s VAL 631 CO 0.13 0.18 1.11 0.68 0.00 0.00 0.00 175.10 177.20 2uwm s VAL 632 N 1.43 3.43 0.00 2.92 -7.23 -0.47 -4.92 120.40 115.56 2uwm s VAL 632 Ca 0.30 1.32 0.00 0.00 -1.81 0.00 0.00 61.98 61.79 2uwm s VAL 632 Cb -0.16 -3.79 0.00 0.00 0.56 0.00 0.00 36.38 32.99 2uwm s VAL 632 CO 0.12 0.22 0.00 0.61 -0.31 0.00 0.00 175.10 175.74