#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jxo s PHE 431 N 0.00 -0.14 0.03 1.61 -0.12 -1.14 -5.02 117.98 113.19 1jxo s PHE 431 Ca 0.00 -0.21 0.08 0.00 -0.05 0.00 0.00 56.93 56.75 1jxo s PHE 431 Cb 0.00 0.46 -0.03 0.00 -0.63 0.00 0.00 43.02 42.82 1jxo s PHE 431 CO 0.00 -0.98 -0.23 0.71 -0.05 0.00 0.00 175.22 174.68 1jxo s TYR 432 N -3.88 2.43 0.11 3.49 1.51 -1.26 0.09 117.35 119.84 1jxo s TYR 432 Ca 0.10 -0.35 0.01 0.00 -1.01 0.00 0.00 57.07 55.82 1jxo s TYR 432 Cb -0.02 -1.45 -0.04 0.00 -0.11 0.00 0.00 41.96 40.34 1jxo s TYR 432 CO -0.01 0.15 -0.04 0.96 -1.11 0.00 0.00 175.55 175.50 1jxo s ILE 433 N -0.81 0.56 -0.12 2.71 -4.36 0.42 -2.17 121.20 117.44 1jxo s ILE 433 Ca 0.12 -1.92 0.03 0.00 -0.26 0.00 0.00 60.65 58.62 1jxo s ILE 433 Cb -0.10 -1.77 -0.00 0.00 1.25 0.00 0.00 42.46 41.84 1jxo s ILE 433 CO 0.02 -0.78 -0.21 -0.60 0.24 0.00 0.00 174.94 173.61 1jxo s ARG 434 N -3.88 3.11 0.28 0.37 3.52 -0.13 0.14 118.95 122.36 1jxo s ARG 434 Ca 0.14 -0.83 -0.29 0.00 -0.13 0.00 0.00 55.73 54.62 1jxo s ARG 434 Cb 0.06 -2.41 -0.09 0.00 -1.56 0.00 0.00 34.95 30.94 1jxo s ARG 434 CO -0.03 0.13 1.12 0.00 -0.81 0.00 0.00 175.30 175.71 1jxo s ALA 435 N 0.48 3.42 -0.22 6.12 0.00 -0.19 -1.52 121.76 129.86 1jxo s ALA 435 Ca -0.14 0.93 0.14 0.00 0.00 0.00 0.00 51.96 52.89 1jxo s ALA 435 Cb -0.17 -3.34 0.50 0.00 0.00 0.00 0.00 23.12 20.10 1jxo s ALA 435 CO 0.05 -0.21 1.41 1.28 0.00 0.00 0.00 175.76 178.29 1jxo n LEU 436 N 1.27 3.83 -3.43 0.00 4.77 0.14 -0.20 117.00 123.38 1jxo n LEU 436 Ca -0.01 -3.30 -0.12 0.00 -0.03 0.00 0.00 56.01 52.55 1jxo n LEU 436 Cb 0.45 -0.57 -0.02 0.00 -2.33 0.00 0.00 43.42 40.95 1jxo n LEU 436 CO 0.55 0.89 0.42 0.72 -1.33 0.00 0.00 177.39 178.63 1jxo s PHE 437 N -2.99 -0.53 0.06 -1.77 -0.12 -1.26 -4.80 117.98 106.57 1jxo s PHE 437 Ca 0.42 0.34 -0.16 0.00 -0.05 0.00 0.00 56.93 57.48 1jxo s PHE 437 Cb 0.36 0.56 -0.06 0.00 -0.63 0.00 0.00 43.02 43.24 1jxo s PHE 437 CO 0.05 -0.83 0.50 -0.51 -0.05 0.00 0.00 175.22 174.38 1jxo s ASP 438 N -2.70 6.91 -0.05 1.98 1.01 -1.26 -3.17 116.67 119.39 1jxo s ASP 438 Ca 0.01 1.10 -0.02 0.00 0.71 0.00 0.00 52.55 54.35 1jxo s ASP 438 Cb -0.01 -2.30 0.03 0.00 1.01 0.00 0.00 42.92 41.65 1jxo s ASP 438 CO -0.12 0.25 0.07 -0.47 0.21 0.00 0.00 175.17 175.11 1jxo s TYR 439 N -1.19 0.05 -0.39 4.23 5.04 0.14 -4.95 117.35 120.28 1jxo s TYR 439 Ca 0.29 0.27 0.06 0.00 -2.44 0.00 0.00 57.07 55.26 1jxo s TYR 439 Cb -0.17 -0.47 0.17 0.00 0.35 0.00 0.00 41.96 41.84 1jxo s TYR 439 CO 0.17 -0.20 0.56 0.34 -1.34 0.00 0.00 175.55 175.07 1jxo s ASP 440 N 2.18 -0.78 0.38 4.32 -1.08 -1.26 -1.04 116.67 119.39 1jxo s ASP 440 Ca 0.05 -0.95 0.11 0.00 -0.52 0.00 0.00 52.55 51.25 1jxo s ASP 440 Cb -0.12 1.58 0.77 0.00 -1.46 0.00 0.00 42.92 43.69 1jxo s ASP 440 CO -0.03 -0.20 1.87 0.07 0.52 0.00 0.00 175.17 177.40 1jxo h LYS 441 N 7.08 0.10 -0.37 4.34 5.09 -1.89 -1.25 116.57 129.69 1jxo h LYS 441 Ca 0.04 -0.03 -0.10 0.00 0.09 0.00 0.00 60.65 60.65 1jxo h LYS 441 Cb 1.15 -0.01 -0.01 0.00 0.10 0.00 0.00 32.23 33.46 1jxo h LYS 441 CO 0.13 0.36 -0.18 1.15 -2.09 0.00 0.00 179.45 178.83 1jxo h THR 442 N 0.10 1.28 -0.14 0.07 2.02 -1.92 -0.33 112.91 113.99 1jxo h THR 442 Ca 0.01 -1.30 -0.02 0.00 0.77 0.00 0.00 66.41 65.87 1jxo h THR 442 Cb 0.52 1.34 -0.00 0.00 -1.74 0.00 0.00 68.15 68.27 1jxo h THR 442 CO 0.04 0.43 -0.01 0.11 0.37 0.00 0.00 175.52 176.46 1jxo h LYS 443 N 0.56 0.25 -0.25 6.66 1.57 -1.82 0.12 116.57 123.66 1jxo h LYS 443 Ca 0.08 -0.08 -0.16 0.00 -1.87 0.00 0.00 60.65 58.62 1jxo h LYS 443 Cb 0.72 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.01 1jxo h LYS 443 CO 0.05 0.50 -0.46 0.38 -0.57 0.00 0.00 179.45 179.35 1jxo h ASP 444 N -0.02 0.85 -0.00 0.86 2.03 -1.23 -3.39 116.42 115.52 1jxo h ASP 444 Ca 0.04 -0.53 0.00 0.00 -0.73 0.00 0.00 57.03 55.80 1jxo h ASP 444 Cb 0.39 -0.24 0.00 0.00 -0.83 0.00 0.00 39.33 38.65 1jxo h ASP 444 CO 0.01 1.22 -0.00 0.00 -1.03 0.00 0.00 179.24 179.44 1jxo n GLY 446 N 0.89 0.44 3.69 0.00 0.00 0.42 -5.01 105.19 105.62 1jxo n GLY 446 Ca 0.00 -0.80 -0.39 0.00 0.00 0.00 0.00 46.02 44.83 1jxo n GLY 446 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1jxo s PHE 447 N -2.01 3.44 -0.15 1.61 5.36 -1.22 -4.95 117.98 120.07 1jxo s PHE 447 Ca 0.00 0.85 -0.11 0.00 -0.96 0.00 0.00 56.93 56.71 1jxo s PHE 447 Cb 0.00 -2.63 -0.05 0.00 -0.34 0.00 0.00 43.02 40.01 1jxo s PHE 447 CO 0.00 0.02 0.20 -0.51 -1.46 0.00 0.00 175.22 173.48 1jxo s LEU 448 N 1.16 4.30 0.00 6.12 1.43 -1.26 -3.26 118.68 127.17 1jxo s LEU 448 Ca 0.25 0.45 -0.15 0.00 -1.03 0.00 0.00 54.13 53.65 1jxo s LEU 448 Cb -0.15 -2.21 0.05 0.00 0.03 0.00 0.00 46.19 43.91 1jxo s LEU 448 CO 0.10 0.24 0.69 -1.54 0.23 0.00 0.00 176.35 176.08 1jxo n SER 449 N 2.90 -0.93 -0.16 2.29 3.41 -1.26 -4.99 113.62 114.88 1jxo n SER 449 Ca -0.16 -1.39 0.01 0.00 -0.26 0.00 0.00 58.87 57.06 1jxo n SER 449 Cb 0.53 1.49 0.02 0.00 -0.26 0.00 0.00 64.21 65.99 1jxo n SER 449 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jxo n GLN 450 N -0.49 1.13 -2.17 4.33 3.00 -1.26 -4.85 117.38 117.07 1jxo n GLN 450 Ca 0.00 -0.18 -0.42 0.00 -0.01 0.00 0.00 57.00 56.39 1jxo n GLN 450 Cb 0.36 -1.11 -0.03 0.00 0.00 0.00 0.00 30.24 29.46 1jxo n GLN 450 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1jxo s ALA 451 N -1.82 3.59 0.34 -1.58 0.00 -1.26 -0.22 121.76 120.81 1jxo s ALA 451 Ca 0.03 1.11 -0.25 0.00 0.00 0.00 0.00 51.96 52.85 1jxo s ALA 451 Cb 0.02 -3.54 -0.10 0.00 0.00 0.00 0.00 23.12 19.50 1jxo s ALA 451 CO 0.02 -0.63 0.96 -1.17 0.00 0.00 0.00 175.76 174.94 1jxo s LEU 452 N 1.18 4.28 -0.08 0.00 2.96 0.27 -4.74 118.68 122.55 1jxo s LEU 452 Ca 0.65 1.85 -0.01 0.00 -0.22 0.00 0.00 54.13 56.40 1jxo s LEU 452 Cb -0.37 -4.08 -0.03 0.00 0.50 0.00 0.00 46.19 42.21 1jxo s LEU 452 CO 0.30 -0.15 -0.01 -0.94 -1.32 0.00 0.00 176.35 174.23 1jxo s SER 453 N -1.65 5.10 0.19 3.68 1.04 -1.26 -4.79 113.70 116.00 1jxo s SER 453 Ca 0.52 0.11 -0.17 0.00 0.48 0.00 0.00 55.95 56.89 1jxo s SER 453 Cb -0.18 -1.40 0.03 0.00 0.10 0.00 0.00 66.02 64.56 1jxo s SER 453 CO 0.23 0.37 0.50 0.72 0.98 0.00 0.00 173.24 176.05 1jxo s PHE 454 N -0.87 -0.08 0.28 5.02 -0.12 -0.21 -5.02 117.98 116.99 1jxo s PHE 454 Ca 0.13 -0.26 0.11 0.00 -0.05 0.00 0.00 56.93 56.86 1jxo s PHE 454 Cb -0.11 0.35 -0.05 0.00 -0.63 0.00 0.00 43.02 42.58 1jxo s PHE 454 CO 0.02 -0.89 -0.09 -0.98 -0.05 0.00 0.00 175.22 173.23 1jxo s ARG 455 N -3.88 1.97 0.21 1.99 1.04 -1.26 -0.68 118.95 118.35 1jxo s ARG 455 Ca 0.10 -1.64 -0.30 0.00 -1.04 0.00 0.00 55.73 52.85 1jxo s ARG 455 Cb -0.01 -1.94 -0.16 0.00 -2.04 0.00 0.00 34.95 30.81 1jxo s ARG 455 CO -0.03 0.31 0.91 0.34 -0.04 0.00 0.00 175.30 176.79 1jxo n PHE 456 N -0.78 0.72 0.00 5.89 7.35 -1.19 -0.88 117.46 128.57 1jxo n PHE 456 Ca -0.05 0.80 0.00 0.00 -0.76 0.00 0.00 57.45 57.43 1jxo n PHE 456 Cb 0.60 -2.16 0.00 0.00 0.35 0.00 0.00 39.48 38.27 1jxo n PHE 456 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1jxo n GLY 457 N 1.68 2.27 3.73 7.13 0.00 0.72 -4.64 105.19 116.09 1jxo n GLY 457 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1jxo n GLY 457 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jxo s ASP 458 N -3.14 6.76 -0.15 1.61 1.01 -0.06 -4.66 116.67 118.05 1jxo s ASP 458 Ca 0.00 2.51 -0.23 0.00 0.71 0.00 0.00 52.55 55.54 1jxo s ASP 458 Cb 0.00 -2.61 -0.02 0.00 1.01 0.00 0.00 42.92 41.30 1jxo s ASP 458 CO 0.00 -0.64 0.73 -0.69 0.21 0.00 0.00 175.17 174.78 1jxo s VAL 459 N 0.32 4.97 -0.08 -1.27 1.01 -1.26 -1.02 120.40 123.07 1jxo s VAL 459 Ca 0.60 1.44 0.04 0.00 0.00 0.00 0.00 61.98 64.06 1jxo s VAL 459 Cb -0.39 -4.05 -0.01 0.00 0.00 0.00 0.00 36.38 31.92 1jxo s VAL 459 CO 0.38 0.12 -0.19 -0.76 0.00 0.00 0.00 175.10 174.65 1jxo s LEU 460 N 1.67 2.39 -0.38 3.92 1.43 0.37 -1.61 118.68 126.46 1jxo s LEU 460 Ca 0.35 -0.40 -0.19 0.00 -1.03 0.00 0.00 54.13 52.86 1jxo s LEU 460 Cb -0.17 -1.48 0.01 0.00 0.03 0.00 0.00 46.19 44.58 1jxo s LEU 460 CO 0.13 0.23 0.57 -2.28 0.23 0.00 0.00 176.35 175.24 1jxo s HIS 461 N -0.09 3.14 -0.38 0.29 5.65 -0.30 -0.44 115.29 123.17 1jxo s HIS 461 Ca -0.04 0.12 -0.23 0.00 0.25 0.00 0.00 55.06 55.16 1jxo s HIS 461 Cb -0.14 -3.09 0.01 0.00 -1.18 0.00 0.00 32.58 28.18 1jxo s HIS 461 CO 0.04 -0.66 0.77 0.08 -0.65 0.00 0.00 174.74 174.32 1jxo s VAL 462 N 2.57 4.73 -0.01 0.89 1.01 0.11 -2.05 120.40 127.65 1jxo s VAL 462 Ca 0.21 0.75 0.12 0.00 0.00 0.00 0.00 61.98 63.05 1jxo s VAL 462 Cb -0.15 -4.22 -0.22 0.00 0.00 0.00 0.00 36.38 31.79 1jxo s VAL 462 CO 0.15 -0.49 0.82 0.16 0.00 0.00 0.00 175.10 175.75 1jxo h ILE 463 N 5.80 1.02 -2.24 2.22 3.07 -1.17 -3.01 117.51 123.20 1jxo h ILE 463 Ca -0.25 -2.81 -0.19 0.00 1.55 0.00 0.00 64.86 63.16 1jxo h ILE 463 Cb 1.09 2.49 -0.31 0.00 -0.27 0.00 0.00 36.82 39.82 1jxo h ILE 463 CO 0.92 0.58 -0.51 -0.62 -1.05 0.00 0.00 178.15 177.47 1jxo s ASP 464 N -6.21 0.46 -0.17 2.16 -1.08 -1.06 -4.81 116.67 105.95 1jxo s ASP 464 Ca -0.03 0.26 0.16 0.00 -0.52 0.00 0.00 52.55 52.42 1jxo s ASP 464 Cb 0.08 0.92 0.60 0.00 -1.46 0.00 0.00 42.92 43.06 1jxo s ASP 464 CO 0.82 -0.29 1.50 0.00 0.52 0.00 0.00 175.17 177.72 1jxo n ALA 465 N 5.36 3.15 -0.19 3.66 0.00 -1.26 -0.85 120.51 130.38 1jxo n ALA 465 Ca -0.05 -2.08 0.04 0.00 0.00 0.00 0.00 53.44 51.35 1jxo n ALA 465 Cb 0.50 -0.81 0.31 0.00 0.00 0.00 0.00 19.45 19.45 1jxo n ALA 465 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1jxo h GLY 466 N 2.50 0.99 -4.71 0.00 0.00 -1.94 -3.40 103.07 96.51 1jxo h GLY 466 Ca 0.00 -0.34 -0.55 0.00 0.00 0.00 0.00 47.33 46.44 1jxo h GLY 466 CO 0.27 0.28 0.29 -0.35 0.00 0.00 0.00 176.54 177.03 1jxo s ASP 467 N -6.28 7.20 0.50 0.19 2.15 -1.26 -4.93 116.67 114.24 1jxo s ASP 467 Ca -0.10 1.45 0.24 0.00 0.43 0.00 0.00 52.55 54.58 1jxo s ASP 467 Cb 0.19 -2.51 1.34 0.00 -0.30 0.00 0.00 42.92 41.64 1jxo s ASP 467 CO 0.77 -0.23 2.05 -0.33 -0.17 0.00 0.00 175.17 177.26 1jxo h GLU 468 N 6.85 0.00 0.00 4.34 3.07 -2.00 -3.28 114.58 123.56 1jxo h GLU 468 Ca -0.39 0.00 -0.39 0.00 -0.50 0.00 0.00 59.36 58.08 1jxo h GLU 468 Cb 1.20 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 29.04 1jxo h GLU 468 CO 0.77 0.14 -2.47 0.39 -1.40 0.00 0.00 179.01 176.43 1jxo n GLU 469 N -3.78 0.65 -4.53 2.33 -0.58 -1.26 -4.52 120.64 108.95 1jxo n GLU 469 Ca -0.02 0.15 -0.31 0.00 -0.42 0.00 0.00 57.16 56.56 1jxo n GLU 469 Cb 0.25 -1.52 -0.17 0.00 -0.57 0.00 0.00 31.44 29.43 1jxo n GLU 469 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1jxo s TRP 470 N -2.52 2.34 -0.04 -0.32 0.52 -1.24 -1.13 118.94 116.55 1jxo s TRP 470 Ca -0.35 -1.16 -0.09 0.00 0.02 0.00 0.00 56.10 54.53 1jxo s TRP 470 Cb 0.09 -1.63 -0.05 0.00 -1.15 0.00 0.00 33.47 30.73 1jxo s TRP 470 CO 0.61 -0.56 0.26 -1.58 0.02 0.00 0.00 176.95 175.70 1jxo s TRP 471 N 0.94 3.62 -0.13 -1.98 0.51 0.11 -4.16 118.94 117.85 1jxo s TRP 471 Ca -0.06 0.67 -0.16 0.00 -2.12 0.00 0.00 56.10 54.42 1jxo s TRP 471 Cb -0.15 -2.05 -0.04 0.00 -0.81 0.00 0.00 33.47 30.42 1jxo s TRP 471 CO -0.02 0.66 0.40 -1.14 -0.51 0.00 0.00 176.95 176.34 1jxo s GLN 472 N -1.35 4.28 0.33 4.98 0.74 -0.03 -0.68 119.66 127.93 1jxo s GLN 472 Ca 0.22 0.30 -0.17 0.00 0.05 0.00 0.00 55.36 55.77 1jxo s GLN 472 Cb -0.14 -3.42 0.03 0.00 1.10 0.00 0.00 33.01 30.59 1jxo s GLN 472 CO 0.11 0.22 0.71 0.00 -0.55 0.00 0.00 175.29 175.79 1jxo s ALA 473 N 0.46 -0.78 0.01 1.58 0.00 0.42 -0.65 121.76 122.79 1jxo s ALA 473 Ca 0.22 -0.64 -0.01 0.00 0.00 0.00 0.00 51.96 51.53 1jxo s ALA 473 Cb -0.14 0.82 -0.01 0.00 0.00 0.00 0.00 23.12 23.78 1jxo s ALA 473 CO 0.08 -0.98 -0.00 1.03 0.00 0.00 0.00 175.76 175.88 1jxo s ARG 474 N -3.18 0.24 0.09 0.00 0.52 -0.87 -0.33 118.95 115.42 1jxo s ARG 474 Ca 0.15 -0.41 -0.30 0.00 -0.52 0.00 0.00 55.73 54.65 1jxo s ARG 474 Cb -0.05 0.09 -0.06 0.00 0.52 0.00 0.00 34.95 35.45 1jxo s ARG 474 CO 0.10 -0.04 1.20 1.03 0.02 0.00 0.00 175.30 177.61 1jxo s ARG 475 N -1.04 4.45 -1.52 3.54 3.00 -1.26 -1.14 118.95 124.97 1jxo s ARG 475 Ca -0.11 1.80 -0.12 0.00 0.00 0.00 0.00 55.73 57.29 1jxo s ARG 475 Cb -0.07 -3.32 -0.01 0.00 0.00 0.00 0.00 34.95 31.55 1jxo s ARG 475 CO -0.00 -0.21 2.52 0.28 0.00 0.00 0.00 175.30 177.89 1jxo n VAL 476 N 3.56 3.82 0.00 3.52 0.31 -0.64 -4.90 118.33 124.01 1jxo n VAL 476 Ca 0.08 -2.86 0.00 0.00 -0.01 0.00 0.00 64.34 61.54 1jxo n VAL 476 Cb 0.46 -2.61 0.00 0.00 -0.91 0.00 0.00 33.84 30.78 1jxo n VAL 476 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1jxo n HIS 477 N 5.04 0.00 -4.46 3.52 8.25 -1.26 -4.90 115.22 121.41 1jxo n HIS 477 Ca 0.63 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.84 1jxo n HIS 477 Cb 0.32 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.34 1jxo n HIS 477 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1jxo s ILE 485 N 0.00 2.55 0.08 1.59 1.01 -1.26 -5.20 121.20 119.97 1jxo s ILE 485 Ca 0.00 -2.30 -0.03 0.00 0.00 0.00 0.00 60.65 58.33 1jxo s ILE 485 Cb 0.00 -2.44 0.01 0.00 0.01 0.00 0.00 42.46 40.04 1jxo s ILE 485 CO 0.00 -0.35 0.15 0.61 0.00 0.00 0.00 174.94 175.34 1jxo n GLY 486 N -0.70 1.94 3.67 6.18 0.00 0.54 -4.98 105.19 111.84 1jxo n GLY 486 Ca -0.05 -1.10 -0.32 0.00 0.00 0.00 0.00 46.02 44.55 1jxo n GLY 486 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jxo s PHE 487 N -7.30 3.02 0.06 1.61 0.40 0.69 -0.44 117.98 116.03 1jxo s PHE 487 Ca 0.03 0.03 0.03 0.00 -0.60 0.00 0.00 56.93 56.43 1jxo s PHE 487 Cb -0.01 -1.63 -0.03 0.00 0.51 0.00 0.00 43.02 41.86 1jxo s PHE 487 CO 0.03 0.45 -0.09 0.96 0.70 0.00 0.00 175.22 177.26 1jxo s ILE 488 N -1.13 0.74 0.35 0.64 -4.36 0.15 0.96 121.20 118.55 1jxo s ILE 488 Ca 0.21 -1.33 -0.28 0.00 -0.26 0.00 0.00 60.65 58.99 1jxo s ILE 488 Cb -0.11 -0.96 -0.10 0.00 1.25 0.00 0.00 42.46 42.54 1jxo s ILE 488 CO 0.12 -0.44 1.30 -2.16 0.24 0.00 0.00 174.94 174.00 1jxo s PRO 489 N -2.09 4.28 0.93 0.37 0.04 -1.26 -0.71 135.00 136.56 1jxo s PRO 489 Ca -0.03 2.19 -0.11 0.00 0.04 0.00 0.00 61.00 63.09 1jxo s PRO 489 Cb -0.07 -3.01 0.15 0.00 0.04 0.00 0.00 34.50 31.62 1jxo s PRO 489 CO 0.00 -0.24 1.09 -1.54 0.04 0.00 0.00 177.00 176.35 1jxo s SER 490 N -0.55 3.05 0.19 6.66 1.04 -0.29 -4.70 113.70 119.10 1jxo s SER 490 Ca 0.50 1.62 -0.12 0.00 0.48 0.00 0.00 55.95 58.43 1jxo s SER 490 Cb -0.39 -2.27 0.15 0.00 0.10 0.00 0.00 66.02 63.61 1jxo s SER 490 CO 0.52 -2.92 1.80 0.50 0.98 0.00 0.00 173.24 174.11 1jxo h LYS 491 N -1.74 0.55 -0.31 4.02 3.64 -1.90 -1.07 116.57 119.76 1jxo h LYS 491 Ca -0.50 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 58.89 1jxo h LYS 491 Cb 1.29 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.94 1jxo h LYS 491 CO 0.52 0.36 0.08 0.00 -2.27 0.00 0.00 179.45 178.14 1jxo h ARG 492 N 0.57 0.20 -0.12 1.90 3.08 -1.91 -0.82 114.38 117.27 1jxo h ARG 492 Ca 0.24 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.28 1jxo h ARG 492 Cb 0.12 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 1jxo h ARG 492 CO -0.15 0.13 0.07 -0.09 -1.07 0.00 0.00 179.97 178.86 1jxo h ARG 493 N 0.20 0.16 0.18 0.04 2.43 -1.63 -0.02 114.38 115.75 1jxo h ARG 493 Ca 0.14 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.29 1jxo h ARG 493 Cb 0.14 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 1jxo h ARG 493 CO -0.17 0.14 -0.08 0.28 -1.51 0.00 0.00 179.97 178.63 1jxo h VAL 494 N 0.13 0.84 -0.65 0.20 2.07 -1.03 -2.71 116.25 115.11 1jxo h VAL 494 Ca 0.04 -0.08 -0.08 0.00 0.82 0.00 0.00 66.70 67.41 1jxo h VAL 494 Cb 0.02 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 1jxo h VAL 494 CO -0.01 0.02 0.11 -0.33 0.02 0.00 0.00 177.57 177.38 1jxo h GLU 495 N -0.27 1.08 -0.85 1.57 5.08 -1.10 -2.02 114.58 118.07 1jxo h GLU 495 Ca -0.02 -0.29 0.08 0.00 -1.00 0.00 0.00 59.36 58.13 1jxo h GLU 495 Cb 0.21 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.28 1jxo h GLU 495 CO 0.04 0.99 0.55 0.00 -1.00 0.00 0.00 179.01 179.59 1jxo h ARG 496 N 0.99 0.87 -0.18 2.33 2.47 -0.97 0.38 114.38 120.27 1jxo h ARG 496 Ca 0.20 -0.05 -0.12 0.00 -1.26 0.00 0.00 59.98 58.74 1jxo h ARG 496 Cb 0.43 -0.20 -0.01 0.00 -1.65 0.00 0.00 29.97 28.54 1jxo h ARG 496 CO 0.01 0.57 -0.41 0.07 0.56 0.00 0.00 179.97 180.77 1jxo h ARG 497 N 0.90 0.42 -0.12 0.04 -0.00 -1.09 -1.27 114.38 113.26 1jxo h ARG 497 Ca 0.37 -0.21 -0.10 0.00 -0.00 0.00 0.00 59.98 60.04 1jxo h ARG 497 Cb 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.27 1jxo h ARG 497 CO -0.14 0.77 -0.33 0.93 -0.00 0.00 0.00 179.97 181.19 1jxo h GLU 498 N 0.35 0.43 -0.21 0.08 4.39 -0.22 -2.54 114.58 116.86 1jxo h GLU 498 Ca 0.03 -0.31 -0.06 0.00 0.34 0.00 0.00 59.36 59.36 1jxo h GLU 498 Cb 0.88 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.56 1jxo h GLU 498 CO 0.07 0.92 -0.15 -1.49 -1.16 0.00 0.00 179.01 177.21 1jxo h TRP 499 N 0.01 0.38 -0.83 4.33 -0.00 -0.36 -2.30 115.95 117.18 1jxo h TRP 499 Ca -0.01 -0.05 -0.02 0.00 -0.00 0.00 0.00 58.89 58.81 1jxo h TRP 499 Cb 0.95 -0.10 -0.04 0.00 -0.00 0.00 0.00 29.16 29.96 1jxo h TRP 499 CO 0.11 0.50 0.44 1.03 -0.00 0.00 0.00 178.44 180.52 1jxo h SER 500 N 0.33 1.04 -0.24 -3.49 0.87 -1.15 0.21 113.55 111.13 1jxo h SER 500 Ca 0.06 -0.11 -0.03 0.00 -1.23 0.00 0.00 61.79 60.49 1jxo h SER 500 Cb 0.47 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.15 1jxo h SER 500 CO 0.03 0.85 0.03 0.03 -0.53 0.00 0.00 176.83 177.24 1jxo h ARG 501 N 1.16 0.39 -0.39 2.24 -0.00 -0.99 -2.35 114.38 114.44 1jxo h ARG 501 Ca 0.29 -0.11 -0.08 0.00 -0.50 0.00 0.00 59.98 59.58 1jxo h ARG 501 Cb 0.05 -0.04 -0.02 0.00 0.00 0.00 0.00 29.97 29.95 1jxo h ARG 501 CO -0.04 0.54 -0.09 -0.07 0.00 0.00 0.00 179.97 180.30 1jxo h LEU 502 N 0.19 0.64 -1.58 3.04 3.38 -0.99 -1.99 115.31 118.02 1jxo h LEU 502 Ca 0.07 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1jxo h LEU 502 Cb 0.34 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1jxo h LEU 502 CO 0.01 0.77 -0.09 0.11 0.09 0.00 0.00 178.44 179.33 1jxo h LYS 503 N 0.61 0.00 0.00 1.13 1.57 -0.48 -1.50 116.57 117.90 1jxo h LYS 503 Ca 0.11 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.88 1jxo h LYS 503 Cb 0.51 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.82 1jxo h LYS 503 CO 0.03 0.09 -0.08 0.00 -0.57 0.00 0.00 179.45 178.92 1jxo h ALA 504 N 1.91 1.06 -0.14 3.86 0.00 -0.80 -2.60 119.26 122.56 1jxo h ALA 504 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1jxo h ALA 504 Cb 0.50 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1jxo h ALA 504 CO 0.01 0.10 0.00 1.63 0.00 0.00 0.00 179.25 180.99 1jxo n LYS 505 N -3.27 2.37 -1.69 0.00 5.02 -0.57 -4.91 118.16 115.11 1jxo n LYS 505 Ca -0.00 -2.01 -0.42 0.00 -2.02 0.00 0.00 58.31 53.85 1jxo n LYS 505 Cb 0.29 -1.48 -0.00 0.00 -0.02 0.00 0.00 35.03 33.82 1jxo n LYS 505 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1jxo n ASP 506 N 1.37 2.57 -2.23 4.39 8.00 -0.98 -0.65 116.55 129.03 1jxo n ASP 506 Ca 0.16 1.19 -0.13 0.00 0.71 0.00 0.00 54.79 56.71 1jxo n ASP 506 Cb 0.60 -1.47 -0.02 0.00 -0.02 0.00 0.00 41.12 40.21 1jxo n ASP 506 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 1jxo n TRP 507 N 0.23 -1.18 -0.00 1.24 5.03 -1.26 -5.10 117.44 116.40 1jxo n TRP 507 Ca 0.05 0.00 -0.00 0.00 3.03 0.00 0.00 57.50 60.58 1jxo n TRP 507 Cb 0.36 -2.81 -0.00 0.00 -1.03 0.00 0.00 31.31 27.83 1jxo n TRP 507 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 1jxo n GLY 508 N -0.71 -0.17 3.23 6.99 0.00 0.18 -5.25 105.19 109.47 1jxo n GLY 508 Ca -0.15 -0.01 0.04 0.00 0.00 0.00 0.00 46.02 45.89 1jxo n GLY 508 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jxo s VAL 520 N -1.14 -0.42 0.10 1.61 1.01 -1.26 -5.06 120.40 115.24 1jxo s VAL 520 Ca -0.01 0.00 0.10 0.00 0.00 0.00 0.00 61.98 62.07 1jxo s VAL 520 Cb 0.00 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 1jxo s VAL 520 CO 0.02 0.00 -0.26 -0.76 0.00 0.00 0.00 175.10 174.10 1jxo s LEU 521 N 2.73 2.27 0.00 3.92 1.43 -1.26 -5.05 118.68 122.72 1jxo s LEU 521 Ca 0.00 -0.69 0.00 0.00 -1.03 0.00 0.00 54.13 52.41 1jxo s LEU 521 Cb -0.09 -1.18 0.00 0.00 0.03 0.00 0.00 46.19 44.96 1jxo s LEU 521 CO -0.14 0.18 0.00 -1.54 0.23 0.00 0.00 176.35 175.08 1jxo n SER 522 N 1.18 0.00 -4.28 2.29 3.41 -1.26 -4.83 113.62 110.13 1jxo n SER 522 Ca -0.18 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.28 1jxo n SER 522 Cb 0.53 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.38 1jxo n SER 522 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1jxo s TYR 523 N 0.00 1.37 -0.02 7.33 1.51 -1.26 -0.68 117.35 125.60 1jxo s TYR 523 Ca 0.00 -0.84 0.02 0.00 -1.01 0.00 0.00 57.07 55.23 1jxo s TYR 523 Cb 0.00 -0.75 0.00 0.00 -0.11 0.00 0.00 41.96 41.11 1jxo s TYR 523 CO 0.00 0.01 -0.06 -1.83 -1.11 0.00 0.00 175.55 172.56 1jxo s GLU 524 N -3.81 0.71 0.22 -0.62 -1.05 -0.57 -4.93 118.70 108.65 1jxo s GLU 524 Ca 0.22 -0.21 -0.30 0.00 -0.15 0.00 0.00 54.97 54.53 1jxo s GLU 524 Cb 0.04 -0.69 -0.09 0.00 -0.44 0.00 0.00 34.13 32.95 1jxo s GLU 524 CO 0.04 0.07 1.37 0.95 0.95 0.00 0.00 175.26 178.64 1jxo s THR 525 N 0.24 2.95 0.14 1.83 -4.23 -1.26 -0.95 115.64 114.36 1jxo s THR 525 Ca -0.03 0.79 0.05 0.00 -1.18 0.00 0.00 61.69 61.32 1jxo s THR 525 Cb -0.07 -3.50 -0.04 0.00 1.34 0.00 0.00 72.50 70.22 1jxo s THR 525 CO 0.00 0.12 -0.10 0.68 -0.54 0.00 0.00 174.62 174.78 1jxo s VAL 526 N 0.09 1.17 0.05 2.29 -7.23 -0.92 -0.67 120.40 115.18 1jxo s VAL 526 Ca 0.58 -2.02 0.01 0.00 -1.81 0.00 0.00 61.98 58.75 1jxo s VAL 526 Cb -0.39 -1.80 -0.03 0.00 0.56 0.00 0.00 36.38 34.72 1jxo s VAL 526 CO 0.40 -0.71 -0.06 0.42 -0.31 0.00 0.00 175.10 174.84 1jxo s THR 527 N -3.19 0.42 0.05 5.32 -4.23 -0.20 -4.47 115.64 109.34 1jxo s THR 527 Ca 0.16 -1.34 -0.18 0.00 -1.18 0.00 0.00 61.69 59.14 1jxo s THR 527 Cb 0.02 -0.90 -0.06 0.00 1.34 0.00 0.00 72.50 72.89 1jxo s THR 527 CO 0.01 -0.61 0.54 -1.10 -0.54 0.00 0.00 174.62 172.91 1jxo s GLN 528 N -2.41 4.16 0.05 3.99 -0.21 -1.26 -1.08 119.66 122.90 1jxo s GLN 528 Ca -0.04 0.66 0.01 0.00 0.02 0.00 0.00 55.36 56.01 1jxo s GLN 528 Cb -0.04 -3.25 -0.03 0.00 1.00 0.00 0.00 33.01 30.69 1jxo s GLN 528 CO -0.03 0.61 -0.05 0.00 -2.12 0.00 0.00 175.29 173.70 1jxo s MET 529 N -0.97 0.58 0.10 2.91 0.23 0.25 -4.94 119.30 117.46 1jxo s MET 529 Ca 0.28 -0.98 -0.12 0.00 -1.03 0.00 0.00 55.69 53.84 1jxo s MET 529 Cb -0.19 -0.07 -0.06 0.00 -1.53 0.00 0.00 34.83 32.99 1jxo s MET 529 CO 0.17 -0.03 0.47 -2.00 -2.03 0.00 0.00 175.02 171.61 1jxo s GLU 530 N -2.66 3.88 0.08 3.16 2.12 -1.26 -1.03 118.70 122.99 1jxo s GLU 530 Ca -0.02 0.35 0.08 0.00 0.36 0.00 0.00 54.97 55.74 1jxo s GLU 530 Cb -0.02 -2.99 -0.03 0.00 0.26 0.00 0.00 34.13 31.35 1jxo s GLU 530 CO -0.04 0.53 -0.22 0.14 -0.54 0.00 0.00 175.26 175.13 1jxo s VAL 531 N -1.40 1.82 -0.39 3.70 -7.23 0.77 -4.96 120.40 112.71 1jxo s VAL 531 Ca 0.34 -1.44 0.12 0.00 -1.81 0.00 0.00 61.98 59.20 1jxo s VAL 531 Cb -0.15 -1.62 0.33 0.00 0.56 0.00 0.00 36.38 35.51 1jxo s VAL 531 CO 0.18 0.10 1.25 1.41 -0.31 0.00 0.00 175.10 177.74 1jxo n HIS 532 N 1.40 0.48 -4.33 2.82 -0.00 -1.26 -4.75 115.22 109.58 1jxo n HIS 532 Ca -0.18 -0.71 -0.17 0.00 -0.00 0.00 0.00 57.72 56.66 1jxo n HIS 532 Cb 0.53 -0.15 -0.10 0.00 -0.00 0.00 0.00 29.99 30.27 1jxo n HIS 532 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 176.34 177.86 1jxo s TYR 533 N -1.93 1.57 -0.07 4.41 -0.85 -1.26 -4.92 117.35 114.29 1jxo s TYR 533 Ca 0.27 -0.96 -0.24 0.00 -0.52 0.00 0.00 57.07 55.63 1jxo s TYR 533 Cb 0.20 -0.92 -0.03 0.00 0.38 0.00 0.00 41.96 41.59 1jxo s TYR 533 CO 0.09 -0.07 0.72 0.00 -1.52 0.00 0.00 175.55 174.76 1jxo s ALA 534 N -3.46 3.34 0.19 9.51 0.00 -0.68 -5.01 121.76 125.66 1jxo s ALA 534 Ca 0.30 0.14 -0.32 0.00 0.00 0.00 0.00 51.96 52.08 1jxo s ALA 534 Cb 0.06 -2.99 -0.11 0.00 0.00 0.00 0.00 23.12 20.08 1jxo s ALA 534 CO 0.09 -0.15 1.63 1.03 0.00 0.00 0.00 175.76 178.37 1jxo s ARG 535 N 0.91 4.17 0.79 0.00 0.52 -1.26 -4.62 118.95 119.46 1jxo s ARG 535 Ca 0.38 2.48 -0.12 0.00 -0.52 0.00 0.00 55.73 57.95 1jxo s ARG 535 Cb -0.18 -3.11 0.07 0.00 0.52 0.00 0.00 34.95 32.25 1jxo s ARG 535 CO 0.18 -0.67 1.14 -2.14 0.02 0.00 0.00 175.30 173.83 1jxo s PRO 536 N 1.04 1.93 -0.06 3.54 0.02 -1.26 -4.17 135.00 136.03 1jxo s PRO 536 Ca 0.72 1.47 0.04 0.00 0.02 0.00 0.00 61.00 63.25 1jxo s PRO 536 Cb -0.47 -1.84 0.00 0.00 0.02 0.00 0.00 34.50 32.22 1jxo s PRO 536 CO 0.33 -1.94 -0.17 0.42 -0.33 0.00 0.00 177.00 175.30 1jxo s ILE 537 N -2.50 1.49 -0.38 2.83 1.01 0.33 -0.56 121.20 123.42 1jxo s ILE 537 Ca 0.67 -0.72 0.02 0.00 0.00 0.00 0.00 60.65 60.62 1jxo s ILE 537 Cb -0.22 -1.30 0.11 0.00 0.01 0.00 0.00 42.46 41.06 1jxo s ILE 537 CO 0.52 0.43 0.14 -0.63 0.00 0.00 0.00 174.94 175.40 1jxo s ILE 538 N 0.25 1.55 -0.03 2.92 1.01 -0.34 -0.60 121.20 125.97 1jxo s ILE 538 Ca -0.09 -2.16 -0.21 0.00 0.00 0.00 0.00 60.65 58.18 1jxo s ILE 538 Cb -0.14 -2.13 -0.05 0.00 0.01 0.00 0.00 42.46 40.15 1jxo s ILE 538 CO 0.04 -0.73 0.62 -0.63 0.00 0.00 0.00 174.94 174.24 1jxo s ILE 539 N 0.89 4.96 0.17 2.92 1.01 -1.26 -1.02 121.20 128.86 1jxo s ILE 539 Ca 0.13 1.29 0.07 0.00 0.00 0.00 0.00 60.65 62.15 1jxo s ILE 539 Cb -0.21 -3.96 -0.04 0.00 0.01 0.00 0.00 42.46 38.26 1jxo s ILE 539 CO -0.11 0.36 -0.15 -0.76 0.00 0.00 0.00 174.94 174.28 1jxo s LEU 540 N 0.14 2.49 0.00 2.97 1.43 0.11 -4.89 118.68 120.92 1jxo s LEU 540 Ca 0.33 -0.93 0.00 0.00 -1.03 0.00 0.00 54.13 52.50 1jxo s LEU 540 Cb -0.18 -0.67 0.00 0.00 0.03 0.00 0.00 46.19 45.37 1jxo s LEU 540 CO 0.17 -0.14 0.00 0.61 0.23 0.00 0.00 176.35 177.23 1jxo n GLY 541 N 0.01 -4.13 3.72 -3.19 0.00 -1.26 -1.07 105.19 99.27 1jxo n GLY 541 Ca -0.11 -2.07 -0.43 0.00 0.00 0.00 0.00 46.02 43.41 1jxo n GLY 541 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1jxo n PRO 542 N -0.07 2.39 -0.92 1.61 -0.02 -1.26 -2.26 135.00 134.47 1jxo n PRO 542 Ca 0.00 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 1jxo n PRO 542 Cb 0.00 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 30.94 1jxo n PRO 542 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1jxo n THR 543 N 1.44 0.00 -0.23 3.45 -2.24 -1.26 -4.87 114.28 110.57 1jxo n THR 543 Ca 0.08 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.96 1jxo n THR 543 Cb 0.35 -0.19 0.39 0.00 -2.10 0.00 0.00 70.33 68.78 1jxo n THR 543 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1jxo h LYS 544 N 1.58 0.66 -0.08 -0.78 2.10 -1.76 0.51 116.57 118.80 1jxo h LYS 544 Ca 0.00 -0.04 -0.01 0.00 -2.00 0.00 0.00 60.65 58.61 1jxo h LYS 544 Cb 0.11 -0.15 -0.00 0.00 -0.90 0.00 0.00 32.23 31.29 1jxo h LYS 544 CO 0.00 0.43 0.03 -0.44 -2.00 0.00 0.00 179.45 177.47 1jxo h ASP 545 N 0.68 0.11 -0.87 7.07 3.32 -1.90 0.44 116.42 125.26 1jxo h ASP 545 Ca 0.40 -0.19 -0.03 0.00 0.02 0.00 0.00 57.03 57.24 1jxo h ASP 545 Cb 0.62 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 40.10 1jxo h ASP 545 CO -0.17 0.27 0.44 -0.09 -1.72 0.00 0.00 179.24 177.98 1jxo h ARG 546 N -0.06 1.24 -0.49 3.56 2.43 -1.68 -1.63 114.38 117.75 1jxo h ARG 546 Ca 0.03 -0.17 -0.07 0.00 -0.81 0.00 0.00 59.98 58.95 1jxo h ARG 546 Cb 0.20 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 1jxo h ARG 546 CO -0.00 0.93 0.00 0.00 -1.51 0.00 0.00 179.97 179.40 1jxo h ALA 547 N 1.24 1.08 -0.18 2.80 0.00 -0.65 -1.49 119.26 122.07 1jxo h ALA 547 Ca 0.30 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1jxo h ALA 547 Cb 0.08 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1jxo h ALA 547 CO -0.04 0.58 0.04 -0.91 0.00 0.00 0.00 179.25 178.92 1jxo h ASN 548 N 0.76 0.27 -0.43 0.00 2.35 -0.38 -2.39 115.58 115.76 1jxo h ASN 548 Ca 0.15 -0.23 -0.01 0.00 -0.55 0.00 0.00 56.30 55.66 1jxo h ASN 548 Cb 0.46 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.74 1jxo h ASN 548 CO 0.02 0.43 0.23 0.44 -1.65 0.00 0.00 177.43 176.90 1jxo h ASP 549 N 0.09 0.54 -0.39 5.81 3.32 -1.16 -2.01 116.42 122.62 1jxo h ASP 549 Ca 0.06 -0.09 -0.07 0.00 0.02 0.00 0.00 57.03 56.95 1jxo h ASP 549 Cb 0.26 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 1jxo h ASP 549 CO 0.00 0.47 0.02 0.44 -1.72 0.00 0.00 179.24 178.45 1jxo h ASP 550 N 0.56 0.74 -0.33 6.45 3.32 -1.27 0.23 116.42 126.12 1jxo h ASP 550 Ca 0.15 -0.17 -0.04 0.00 0.02 0.00 0.00 57.03 56.99 1jxo h ASP 550 Cb 0.06 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 1jxo h ASP 550 CO -0.02 0.79 0.04 -0.07 -1.72 0.00 0.00 179.24 178.26 1jxo h LEU 551 N 0.72 0.53 -1.25 1.55 3.38 -1.22 0.44 115.31 119.47 1jxo h LEU 551 Ca 0.15 -0.27 -0.08 0.00 0.09 0.00 0.00 57.88 57.77 1jxo h LEU 551 Cb 0.42 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1jxo h LEU 551 CO 0.02 0.66 -0.36 -0.07 0.09 0.00 0.00 178.44 178.78 1jxo h LEU 552 N 0.37 0.00 0.05 1.67 3.38 -1.17 -1.35 115.31 118.26 1jxo h LEU 552 Ca 0.10 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.76 1jxo h LEU 552 Cb 0.37 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 1jxo h LEU 552 CO 0.01 0.36 -1.74 0.77 0.09 0.00 0.00 178.44 177.93 1jxo h SER 553 N 0.00 0.18 1.25 -0.43 4.64 -0.67 -3.30 113.55 115.21 1jxo h SER 553 Ca -0.00 -0.35 -0.11 0.00 -0.47 0.00 0.00 61.79 60.85 1jxo h SER 553 Cb 0.69 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.71 1jxo h SER 553 CO 0.05 1.31 -0.79 -0.08 -0.87 0.00 0.00 176.83 176.45 1jxo h GLU 554 N 0.03 0.00 -2.00 4.77 4.81 -0.10 -3.40 114.58 118.69 1jxo h GLU 554 Ca -0.31 0.00 -0.53 0.00 -0.13 0.00 0.00 59.36 58.39 1jxo h GLU 554 Cb 2.01 0.00 -0.39 0.00 0.63 0.00 0.00 28.75 31.00 1jxo h GLU 554 CO 0.10 0.39 -1.14 1.19 -0.73 0.00 0.00 179.01 178.81 1jxo n PHE 555 N -3.09 -0.16 0.32 0.92 3.01 -0.51 -4.94 117.46 113.01 1jxo n PHE 555 Ca -0.02 -3.65 0.20 0.00 1.01 0.00 0.00 57.45 54.99 1jxo n PHE 555 Cb 0.75 -0.37 1.09 0.00 -0.01 0.00 0.00 39.48 40.93 1jxo n PHE 555 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1jxo h PRO 556 N 3.66 0.00 0.00 -1.08 0.11 -1.76 -0.61 132.00 132.32 1jxo h PRO 556 Ca 0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.19 1jxo h PRO 556 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 1jxo h PRO 556 CO 0.48 0.00 -0.24 -0.44 -0.21 0.00 0.00 178.00 177.59 1jxo h ASP 557 N 0.00 0.00 0.00 -2.05 3.45 -1.92 -3.36 116.42 112.54 1jxo h ASP 557 Ca 0.01 -0.05 -0.06 0.00 0.43 0.00 0.00 57.03 57.35 1jxo h ASP 557 Cb 0.10 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.86 1jxo h ASP 557 CO -0.00 0.03 -1.53 2.29 -1.57 0.00 0.00 179.24 178.46 1jxo n LYS 558 N -2.45 1.12 -4.88 3.56 2.85 -0.36 -4.84 118.16 113.16 1jxo n LYS 558 Ca 0.04 -0.06 -0.25 0.00 -1.05 0.00 0.00 58.31 56.99 1jxo n LYS 558 Cb 0.47 -1.24 -0.15 0.00 -0.65 0.00 0.00 35.03 33.45 1jxo n LYS 558 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 1jxo s PHE 559 N -2.52 1.66 0.07 5.58 0.40 -0.46 -0.53 117.98 122.18 1jxo s PHE 559 Ca -0.04 -0.32 -0.03 0.00 -0.60 0.00 0.00 56.93 55.95 1jxo s PHE 559 Cb 0.05 -1.07 -0.03 0.00 0.51 0.00 0.00 43.02 42.48 1jxo s PHE 559 CO 0.41 -0.02 0.03 0.20 0.70 0.00 0.00 175.22 176.53 1jxo s GLY 560 N -0.46 0.45 0.01 4.36 0.00 -0.32 -4.55 107.32 106.81 1jxo s GLY 560 Ca 0.07 -1.11 -0.01 0.00 0.00 0.00 0.00 44.72 43.67 1jxo s GLY 560 CO -0.01 -1.21 0.15 -0.56 0.00 0.00 0.00 173.10 171.47 1jxo s SER 561 N -2.92 6.11 0.49 1.64 0.01 -1.26 -0.95 113.70 116.82 1jxo s SER 561 Ca 0.09 0.25 -0.02 0.00 1.31 0.00 0.00 55.95 57.58 1jxo s SER 561 Cb 0.07 -1.85 0.00 0.00 0.21 0.00 0.00 66.02 64.45 1jxo s SER 561 CO -0.09 0.24 0.74 0.00 0.41 0.00 0.00 173.24 174.55 1jxo s VAL 563 N -2.69 4.69 0.67 0.00 1.01 -1.26 -5.05 120.40 117.77 1jxo s VAL 563 Ca 0.50 0.34 -0.11 0.00 0.00 0.00 0.00 61.98 62.71 1jxo s VAL 563 Cb -0.10 -4.29 -0.01 0.00 0.00 0.00 0.00 36.38 31.98 1jxo s VAL 563 CO 0.40 -0.69 1.05 -2.16 0.00 0.00 0.00 175.10 173.70 1jxo s PRO 564 N 3.17 3.17 0.12 2.72 0.04 -1.26 -4.67 135.00 138.28 1jxo s PRO 564 Ca 0.28 0.76 -0.06 0.00 0.04 0.00 0.00 61.00 62.02 1jxo s PRO 564 Cb -0.13 -2.03 -0.06 0.00 0.04 0.00 0.00 34.50 32.33 1jxo s PRO 564 CO 0.22 -0.89 0.37 -1.01 0.04 0.00 0.00 177.00 175.74 1jxo s HIS 565 N -3.16 3.51 0.03 0.56 3.76 -0.34 -1.24 115.29 118.40 1jxo s HIS 565 Ca 0.57 0.61 -0.08 0.00 -0.15 0.00 0.00 55.06 56.01 1jxo s HIS 565 Cb -0.12 -2.04 0.00 0.00 1.11 0.00 0.00 32.58 31.53 1jxo s HIS 565 CO 0.54 0.47 0.17 -0.08 -0.85 0.00 0.00 174.74 174.98 1jxo s THR 566 N -1.57 0.11 -1.26 1.30 -1.32 -0.89 -2.08 115.64 109.93 1jxo s THR 566 Ca 0.38 -0.89 0.22 0.00 -1.21 0.00 0.00 61.69 60.19 1jxo s THR 566 Cb -0.13 -0.83 -0.15 0.00 -1.51 0.00 0.00 72.50 69.89 1jxo s THR 566 CO 0.22 -0.49 1.01 0.35 -2.21 0.00 0.00 174.62 173.50 1jxo n THR 567 N 0.83 0.00 0.28 5.08 -2.24 -0.91 -1.28 114.28 116.04 1jxo n THR 567 Ca -0.20 -0.06 -0.14 0.00 -2.27 0.00 0.00 64.05 61.39 1jxo n THR 567 Cb 0.58 0.98 -0.07 0.00 -2.10 0.00 0.00 70.33 69.72 1jxo n THR 567 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1jxo h ARG 568 N 0.60 -0.71 -2.50 -0.78 -0.00 -1.81 -3.44 114.38 105.73 1jxo h ARG 568 Ca 0.00 0.05 -0.09 0.00 -0.50 0.00 0.00 59.98 59.44 1jxo h ARG 568 Cb 0.56 0.16 -0.20 0.00 0.00 0.00 0.00 29.97 30.49 1jxo h ARG 568 CO 0.00 -0.41 -0.04 0.34 0.00 0.00 0.00 179.97 179.86 1jxo s ASP 576 N -4.71 -0.43 0.00 7.04 2.15 -1.26 -4.71 116.67 114.75 1jxo s ASP 576 Ca -0.14 0.43 0.00 0.00 0.43 0.00 0.00 52.55 53.27 1jxo s ASP 576 Cb 0.02 0.45 0.00 0.00 -0.30 0.00 0.00 42.92 43.08 1jxo s ASP 576 CO 0.45 -0.52 0.00 0.61 -0.17 0.00 0.00 175.17 175.54 1jxo n GLY 577 N 1.14 3.02 0.05 2.66 0.00 -0.15 -4.78 105.19 107.12 1jxo n GLY 577 Ca -0.20 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.79 1jxo n GLY 577 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1jxo h ARG 578 N 1.14 0.00 0.00 1.61 2.43 -2.01 -3.44 114.38 114.10 1jxo h ARG 578 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1jxo h ARG 578 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1jxo h ARG 578 CO 0.00 0.00 0.00 -0.25 -1.51 0.00 0.00 179.97 178.21 1jxo n ASP 579 N -4.17 0.00 -4.38 -3.80 9.92 -1.26 -4.93 116.55 107.94 1jxo n ASP 579 Ca -0.05 0.42 -0.19 0.00 -0.53 0.00 0.00 54.79 54.43 1jxo n ASP 579 Cb 0.19 -0.32 -0.10 0.00 -0.64 0.00 0.00 41.12 40.25 1jxo n ASP 579 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 1jxo s TYR 580 N -0.96 1.76 -0.43 1.24 1.51 -1.26 -4.49 117.35 114.73 1jxo s TYR 580 Ca 0.00 -0.75 -0.18 0.00 -1.01 0.00 0.00 57.07 55.13 1jxo s TYR 580 Cb 0.00 -0.98 0.02 0.00 -0.11 0.00 0.00 41.96 40.89 1jxo s TYR 580 CO 0.00 0.18 0.46 -1.01 -1.11 0.00 0.00 175.55 174.08 1jxo s HIS 581 N -3.14 3.16 0.16 2.71 3.76 -0.37 -0.98 115.29 120.58 1jxo s HIS 581 Ca 0.27 -0.35 -0.28 0.00 -0.15 0.00 0.00 55.06 54.55 1jxo s HIS 581 Cb 0.04 -2.96 -0.07 0.00 1.11 0.00 0.00 32.58 30.69 1jxo s HIS 581 CO 0.10 -0.73 0.89 -0.06 -0.85 0.00 0.00 174.74 174.08 1jxo s PHE 582 N 2.22 3.89 -0.23 1.40 0.40 -1.26 -2.09 117.98 122.29 1jxo s PHE 582 Ca 0.13 1.76 -0.00 0.00 -0.60 0.00 0.00 56.93 58.22 1jxo s PHE 582 Cb -0.17 -2.93 0.06 0.00 0.51 0.00 0.00 43.02 40.49 1jxo s PHE 582 CO 0.14 0.37 -0.02 0.08 0.70 0.00 0.00 175.22 176.50 1jxo s VAL 583 N -0.68 1.24 0.13 -0.44 1.01 -0.41 -4.95 120.40 116.31 1jxo s VAL 583 Ca 0.41 -1.10 -0.18 0.00 0.00 0.00 0.00 61.98 61.11 1jxo s VAL 583 Cb -0.24 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 1jxo s VAL 583 CO 0.29 -0.19 1.77 0.28 0.00 0.00 0.00 175.10 177.25 1jxo h SER 584 N 8.03 0.33 -3.39 3.32 0.02 -1.85 -3.38 113.55 116.63 1jxo h SER 584 Ca -0.17 -0.04 -0.55 0.00 -0.84 0.00 0.00 61.79 60.20 1jxo h SER 584 Cb 1.08 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 63.50 1jxo h SER 584 CO 0.40 0.27 0.20 -0.55 -1.14 0.00 0.00 176.83 176.01 1jxo s SER 585 N -5.49 7.16 0.04 3.07 0.15 -1.26 -4.95 113.70 112.41 1jxo s SER 585 Ca -0.13 1.39 -0.20 0.00 0.70 0.00 0.00 55.95 57.72 1jxo s SER 585 Cb 0.09 -2.48 -0.16 0.00 -1.71 0.00 0.00 66.02 61.76 1jxo s SER 585 CO 0.71 -0.16 1.28 -0.09 1.20 0.00 0.00 173.24 176.18 1jxo h ARG 586 N 6.70 0.41 -0.39 5.44 9.65 -1.92 -3.04 114.38 131.22 1jxo h ARG 586 Ca -0.41 -0.27 0.08 0.00 -1.10 0.00 0.00 59.98 58.28 1jxo h ARG 586 Cb 1.21 0.04 -0.08 0.00 -1.39 0.00 0.00 29.97 29.74 1jxo h ARG 586 CO 0.75 0.87 -0.15 0.93 2.80 0.00 0.00 179.97 185.17 1jxo h GLU 587 N 0.01 -0.07 -0.97 0.20 3.07 -1.99 0.70 114.58 115.53 1jxo h GLU 587 Ca 0.00 0.01 0.02 0.00 -0.50 0.00 0.00 59.36 58.89 1jxo h GLU 587 Cb 0.86 0.02 -0.05 0.00 -0.84 0.00 0.00 28.75 28.74 1jxo h GLU 587 CO 0.06 -0.05 0.64 1.57 -1.40 0.00 0.00 179.01 179.83 1jxo h LYS 588 N -0.08 1.24 0.25 2.33 5.09 -1.98 -1.05 116.57 122.38 1jxo h LYS 588 Ca 0.19 -0.07 -0.01 0.00 0.09 0.00 0.00 60.65 60.85 1jxo h LYS 588 Cb 0.37 -0.28 -0.00 0.00 0.10 0.00 0.00 32.23 32.42 1jxo h LYS 588 CO -0.44 0.82 -0.14 1.98 -2.09 0.00 0.00 179.45 179.58 1jxo h MET 589 N 1.28 -0.36 -0.84 0.07 -1.53 -0.97 -0.03 114.93 112.55 1jxo h MET 589 Ca 0.37 0.02 0.04 0.00 -3.44 0.00 0.00 59.70 56.69 1jxo h MET 589 Cb -0.09 0.08 -0.05 0.00 -0.55 0.00 0.00 31.60 31.00 1jxo h MET 589 CO -0.10 -0.24 0.55 0.93 0.14 0.00 0.00 176.91 178.20 1jxo h GLU 590 N -0.37 1.00 -0.41 0.39 5.08 -0.46 -0.66 114.58 119.15 1jxo h GLU 590 Ca -0.03 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.14 1jxo h GLU 590 Cb 0.30 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1jxo h GLU 590 CO 0.03 0.66 -0.27 0.87 -1.00 0.00 0.00 179.01 179.31 1jxo h LYS 591 N 1.03 0.87 -0.95 2.33 1.57 -0.84 -1.01 116.57 119.57 1jxo h LYS 591 Ca 0.34 -0.39 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1jxo h LYS 591 Cb 0.06 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.30 1jxo h LYS 591 CO -0.10 1.03 0.58 -0.44 -0.57 0.00 0.00 179.45 179.95 1jxo h ASP 592 N 0.74 1.14 -0.40 0.86 3.32 -0.10 0.40 116.42 122.38 1jxo h ASP 592 Ca 0.09 -0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.04 1jxo h ASP 592 Cb 0.82 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 40.07 1jxo h ASP 592 CO 0.07 0.87 0.09 0.40 -1.72 0.00 0.00 179.24 178.95 1jxo h ILE 593 N 1.31 1.23 0.00 0.35 2.04 -0.74 -1.38 117.51 120.32 1jxo h ILE 593 Ca 0.34 -0.80 -0.03 0.00 1.00 0.00 0.00 64.86 65.38 1jxo h ILE 593 Cb -0.07 0.99 -0.00 0.00 -0.74 0.00 0.00 36.82 36.99 1jxo h ILE 593 CO -0.07 0.28 -0.12 1.56 0.00 0.00 0.00 178.15 179.80 1jxo h GLN 594 N 0.51 0.00 -0.58 2.37 4.20 -0.55 -1.74 115.11 119.32 1jxo h GLN 594 Ca 0.13 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.84 1jxo h GLN 594 Cb 0.32 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.10 1jxo h GLN 594 CO 0.00 0.12 0.00 0.00 -0.67 0.00 0.00 178.83 178.29 1jxo n ALA 595 N -2.26 2.83 -3.73 3.87 0.00 0.07 -4.92 120.51 116.38 1jxo n ALA 595 Ca -0.01 -0.85 -0.25 0.00 0.00 0.00 0.00 53.44 52.32 1jxo n ALA 595 Cb 0.26 -1.02 0.05 0.00 0.00 0.00 0.00 19.45 18.74 1jxo n ALA 595 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1jxo n HIS 596 N 0.50 -2.41 0.07 0.00 -0.00 -0.65 -4.88 115.22 107.84 1jxo n HIS 596 Ca 0.14 0.93 -0.01 0.00 -0.00 0.00 0.00 57.72 58.79 1jxo n HIS 596 Cb 0.54 -4.49 -0.05 0.00 -0.00 0.00 0.00 29.99 25.98 1jxo n HIS 596 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.34 177.21 1jxo h LYS 597 N -2.23 0.00 -5.89 -0.41 6.56 -1.45 -3.46 116.57 109.69 1jxo h LYS 597 Ca -0.58 0.00 -0.66 0.00 -1.06 0.00 0.00 60.65 58.35 1jxo h LYS 597 Cb 1.37 0.00 -0.09 0.00 -0.57 0.00 0.00 32.23 32.94 1jxo h LYS 597 CO 0.60 0.45 -0.55 -0.06 -2.06 0.00 0.00 179.45 177.84 1jxo s PHE 598 N -2.89 3.38 0.00 -1.35 0.40 -1.26 -1.91 117.98 114.36 1jxo s PHE 598 Ca -0.00 0.30 0.16 0.00 -0.60 0.00 0.00 56.93 56.79 1jxo s PHE 598 Cb 0.08 -1.80 0.31 0.00 0.51 0.00 0.00 43.02 42.12 1jxo s PHE 598 CO 0.79 0.60 1.56 0.82 0.70 0.00 0.00 175.22 179.68 1jxo h ILE 599 N 3.43 0.93 -1.40 0.64 2.04 -0.95 -3.47 117.51 118.74 1jxo h ILE 599 Ca -0.51 -2.01 0.13 0.00 1.00 0.00 0.00 64.86 63.47 1jxo h ILE 599 Cb 1.19 2.24 -0.26 0.00 -0.74 0.00 0.00 36.82 39.26 1jxo h ILE 599 CO 0.61 0.48 0.66 -0.70 0.00 0.00 0.00 178.15 179.20 1jxo s GLU 600 N -3.22 0.40 0.20 2.37 2.12 -1.24 -4.51 118.70 114.83 1jxo s GLU 600 Ca 0.02 0.19 -0.19 0.00 0.36 0.00 0.00 54.97 55.36 1jxo s GLU 600 Cb 0.09 0.19 0.03 0.00 0.26 0.00 0.00 34.13 34.70 1jxo s GLU 600 CO 0.72 -0.10 0.56 0.00 -0.54 0.00 0.00 175.26 175.90 1jxo s ALA 601 N -0.71 -1.05 0.01 6.30 0.00 -1.26 -0.93 121.76 124.13 1jxo s ALA 601 Ca 0.03 -0.16 -0.28 0.00 0.00 0.00 0.00 51.96 51.54 1jxo s ALA 601 Cb -0.02 0.86 0.10 0.00 0.00 0.00 0.00 23.12 24.06 1jxo s ALA 601 CO -0.04 -0.84 1.25 0.20 0.00 0.00 0.00 175.76 176.34 1jxo s GLY 602 N -2.87 -0.18 0.00 0.00 0.00 0.69 -4.98 107.32 99.98 1jxo s GLY 602 Ca 0.09 0.18 0.00 0.00 0.00 0.00 0.00 44.72 44.99 1jxo s GLY 602 CO -0.02 3.61 0.00 -0.18 0.00 0.00 0.00 173.10 176.51 1jxo n GLN 603 N -0.76 1.88 0.00 2.90 7.27 -1.26 0.51 117.38 127.92 1jxo n GLN 603 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.06 1jxo n GLN 603 Cb 0.60 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.25 1jxo n GLN 603 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 1jxo n SER 606 N -1.61 0.00 -4.65 1.69 7.64 -1.26 -4.94 113.62 110.49 1jxo n SER 606 Ca 0.00 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.61 1jxo n SER 606 Cb 0.00 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.10 1jxo n SER 606 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1jxo s HIS 607 N 0.00 2.54 0.20 1.43 0.09 -1.26 -5.07 115.29 113.23 1jxo s HIS 607 Ca 0.00 -0.62 -0.24 0.00 -0.00 0.00 0.00 55.06 54.20 1jxo s HIS 607 Cb 0.00 -1.79 -0.08 0.00 -0.00 0.00 0.00 32.58 30.70 1jxo s HIS 607 CO 0.00 0.38 0.79 -0.51 -0.00 0.00 0.00 174.74 175.40 1jxo s LEU 608 N -3.77 4.51 -0.01 0.89 1.43 -1.26 -4.91 118.68 115.56 1jxo s LEU 608 Ca 0.37 1.63 0.01 0.00 -1.03 0.00 0.00 54.13 55.11 1jxo s LEU 608 Cb 0.07 -3.46 0.00 0.00 0.03 0.00 0.00 46.19 42.83 1jxo s LEU 608 CO 0.19 0.14 -0.04 -0.31 0.23 0.00 0.00 176.35 176.56 1jxo s TYR 609 N -1.29 0.46 0.14 0.29 1.51 0.18 -2.14 117.35 116.50 1jxo s TYR 609 Ca 0.39 -0.09 -0.15 0.00 -1.01 0.00 0.00 57.07 56.22 1jxo s TYR 609 Cb -0.21 -0.33 0.03 0.00 -0.11 0.00 0.00 41.96 41.33 1jxo s TYR 609 CO 0.25 -0.04 0.39 0.20 -1.11 0.00 0.00 175.55 175.24 1jxo s GLY 610 N 0.10 -0.14 -0.31 0.71 0.00 -0.88 -0.22 107.32 106.58 1jxo s GLY 610 Ca -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 44.72 44.50 1jxo s GLY 610 CO -0.00 -0.40 0.00 -1.59 0.00 0.00 0.00 173.10 171.11 1jxo s THR 611 N -3.84 2.69 0.43 0.90 2.01 -0.10 -1.20 115.64 116.52 1jxo s THR 611 Ca 0.06 -1.69 -0.22 0.00 0.31 0.00 0.00 61.69 60.14 1jxo s THR 611 Cb 0.02 -2.66 -0.10 0.00 0.01 0.00 0.00 72.50 69.77 1jxo s THR 611 CO -0.09 -0.24 0.99 -0.94 -0.69 0.00 0.00 174.62 173.65 1jxo s SER 612 N 1.23 6.78 0.15 3.53 1.04 -1.26 -0.27 113.70 124.89 1jxo s SER 612 Ca -0.02 1.84 -0.18 0.00 0.48 0.00 0.00 55.95 58.07 1jxo s SER 612 Cb -0.20 -2.56 0.03 0.00 0.10 0.00 0.00 66.02 63.39 1jxo s SER 612 CO -0.04 -0.47 1.72 0.58 0.98 0.00 0.00 173.24 176.01 1jxo h VAL 613 N 1.94 0.83 -0.96 5.02 2.07 -1.73 -2.49 116.25 120.94 1jxo h VAL 613 Ca -0.49 -0.04 0.05 0.00 0.82 0.00 0.00 66.70 67.04 1jxo h VAL 613 Cb 1.20 0.68 -0.06 0.00 -1.52 0.00 0.00 31.29 31.59 1jxo h VAL 613 CO 0.61 0.02 0.62 -0.61 0.02 0.00 0.00 177.57 178.23 1jxo h GLN 614 N 0.13 1.13 -0.66 1.57 5.75 -1.93 0.68 115.11 121.77 1jxo h GLN 614 Ca 0.14 -0.07 -0.03 0.00 -0.15 0.00 0.00 58.65 58.54 1jxo h GLN 614 Cb 0.16 -0.26 -0.03 0.00 1.07 0.00 0.00 27.48 28.43 1jxo h GLN 614 CO -0.21 0.75 0.29 1.03 -2.65 0.00 0.00 178.83 178.05 1jxo h SER 615 N 1.17 0.87 -0.25 -0.69 0.87 -1.78 0.25 113.55 113.98 1jxo h SER 615 Ca 0.40 -0.10 -0.08 0.00 -1.23 0.00 0.00 61.79 60.77 1jxo h SER 615 Cb 0.08 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.81 1jxo h SER 615 CO -0.14 0.75 -0.17 0.58 -0.53 0.00 0.00 176.83 177.31 1jxo h VAL 616 N 0.95 1.31 -0.86 2.23 2.07 -0.93 -3.00 116.25 118.01 1jxo h VAL 616 Ca 0.23 -1.30 0.02 0.00 0.82 0.00 0.00 66.70 66.47 1jxo h VAL 616 Cb 0.14 1.61 -0.05 0.00 -1.52 0.00 0.00 31.29 31.47 1jxo h VAL 616 CO -0.03 0.40 0.57 -0.09 0.02 0.00 0.00 177.57 178.45 1jxo h ARG 617 N 0.27 1.10 -0.33 1.57 2.43 -0.29 0.76 114.38 119.90 1jxo h ARG 617 Ca 0.05 -0.07 0.05 0.00 -0.81 0.00 0.00 59.98 59.21 1jxo h ARG 617 Cb 0.70 -0.25 -0.05 0.00 -0.42 0.00 0.00 29.97 29.96 1jxo h ARG 617 CO 0.05 0.73 0.02 0.93 -1.51 0.00 0.00 179.97 180.19 1jxo h GLU 618 N 1.14 0.12 -0.11 0.20 5.08 -0.45 0.46 114.58 121.03 1jxo h GLU 618 Ca 0.33 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.67 1jxo h GLU 618 Cb -0.08 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 1jxo h GLU 618 CO -0.09 0.08 0.05 0.28 -1.00 0.00 0.00 179.01 178.33 1jxo h VAL 619 N 0.12 1.13 -0.87 3.13 2.07 -1.28 -1.72 116.25 118.83 1jxo h VAL 619 Ca 0.16 -0.37 0.06 0.00 0.82 0.00 0.00 66.70 67.37 1jxo h VAL 619 Cb 0.20 1.18 -0.06 0.00 -1.52 0.00 0.00 31.29 31.09 1jxo h VAL 619 CO -0.24 0.11 0.57 0.00 0.02 0.00 0.00 177.57 178.02 1jxo h ALA 620 N 0.91 1.55 -0.27 1.67 0.00 -0.14 -1.83 119.26 121.16 1jxo h ALA 620 Ca 0.04 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.74 1jxo h ALA 620 Cb 0.13 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1jxo h ALA 620 CO -0.00 0.32 -0.55 1.05 0.00 0.00 0.00 179.25 180.07 1jxo h GLU 621 N 0.97 0.80 0.00 0.00 4.11 0.05 -1.75 114.58 118.77 1jxo h GLU 621 Ca 0.37 -0.51 0.00 0.00 0.07 0.00 0.00 59.36 59.30 1jxo h GLU 621 Cb 0.21 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1jxo h GLU 621 CO -0.14 1.14 0.01 0.00 0.07 0.00 0.00 179.01 180.09 1jxo n GLN 622 N -4.00 0.00 -0.09 1.06 0.00 -0.66 -4.79 117.38 108.90 1jxo n GLN 622 Ca -0.04 0.42 0.00 0.00 0.00 0.00 0.00 57.00 57.38 1jxo n GLN 622 Cb 0.62 -1.51 0.00 0.00 0.00 0.00 0.00 30.24 29.35 1jxo n GLN 622 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1jxo n GLY 623 N -1.42 0.70 3.43 2.61 0.00 -1.06 -5.09 105.19 104.36 1jxo n GLY 623 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1jxo n GLY 623 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jxo s LYS 624 N -0.91 1.54 -0.10 1.61 -2.85 -1.19 -4.76 119.74 113.07 1jxo s LYS 624 Ca 0.00 -1.45 -0.30 0.00 -1.00 0.00 0.00 55.97 53.23 1jxo s LYS 624 Cb 0.00 -1.89 -0.03 0.00 -2.06 0.00 0.00 37.83 33.84 1jxo s LYS 624 CO 0.00 0.42 1.38 -1.01 0.10 0.00 0.00 175.35 176.24 1jxo s HIS 625 N -1.49 2.64 -0.44 1.78 3.76 0.31 -3.88 115.29 117.97 1jxo s HIS 625 Ca 0.19 0.77 -0.27 0.00 -0.15 0.00 0.00 55.06 55.61 1jxo s HIS 625 Cb -0.09 -3.63 0.02 0.00 1.11 0.00 0.00 32.58 29.99 1jxo s HIS 625 CO 0.09 -2.37 0.99 0.00 -0.85 0.00 0.00 174.74 172.61 1jxo s ILE 627 N 3.88 3.69 -0.15 0.00 -1.09 -0.13 -0.51 121.20 126.89 1jxo s ILE 627 Ca 0.41 0.63 -0.11 0.00 -2.23 0.00 0.00 60.65 59.35 1jxo s ILE 627 Cb -0.10 -4.12 -0.05 0.00 -1.58 0.00 0.00 42.46 36.62 1jxo s ILE 627 CO 0.26 -0.84 0.21 -0.76 -1.23 0.00 0.00 174.94 172.57 1jxo s LEU 628 N 6.51 4.29 -1.01 2.97 1.43 0.23 -4.66 118.68 128.45 1jxo s LEU 628 Ca 0.63 0.45 -0.04 0.00 -1.03 0.00 0.00 54.13 54.14 1jxo s LEU 628 Cb -0.14 -2.22 0.27 0.00 0.03 0.00 0.00 46.19 44.13 1jxo s LEU 628 CO 0.29 0.23 1.12 -0.67 0.23 0.00 0.00 176.35 177.55 1jxo n ASP 629 N 2.97 5.33 -4.07 2.29 4.64 -1.26 -4.47 116.55 121.98 1jxo n ASP 629 Ca -0.16 -3.23 -0.17 0.00 -1.38 0.00 0.00 54.79 49.86 1jxo n ASP 629 Cb 0.53 -1.19 -0.10 0.00 -1.04 0.00 0.00 41.12 39.32 1jxo n ASP 629 CO 0.00 0.00 0.00 0.68 -0.82 0.00 0.00 177.20 177.06 1jxo s VAL 630 N -1.93 0.30 0.67 5.18 -7.23 -1.26 -5.14 120.40 110.99 1jxo s VAL 630 Ca 0.31 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.42 1jxo s VAL 630 Cb -0.02 -2.54 0.05 0.00 0.56 0.00 0.00 36.38 34.43 1jxo s VAL 630 CO -0.02 0.00 0.98 -0.94 -0.31 0.00 0.00 175.10 174.81 1jxo s SER 631 N -3.32 5.04 0.57 4.85 1.04 -1.26 -4.93 113.70 115.69 1jxo s SER 631 Ca 0.37 0.53 0.26 0.00 0.48 0.00 0.00 55.95 57.60 1jxo s SER 631 Cb 0.06 -1.28 1.67 0.00 0.10 0.00 0.00 66.02 66.56 1jxo s SER 631 CO 0.16 -1.44 2.21 0.00 0.98 0.00 0.00 173.24 175.15 1jxo h ALA 632 N -0.48 1.68 -0.30 5.32 0.00 -1.98 -1.45 119.26 122.05 1jxo h ALA 632 Ca -0.45 -0.00 0.09 0.00 0.00 0.00 0.00 54.91 54.55 1jxo h ALA 632 Cb 1.30 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 1jxo h ALA 632 CO 0.60 -0.03 0.23 -0.91 0.00 0.00 0.00 179.25 179.13 1jxo h ASN 633 N 0.00 0.00 0.75 0.00 2.35 -1.96 -0.60 115.58 116.12 1jxo h ASN 633 Ca 0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1jxo h ASN 633 Cb 0.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.43 1jxo h ASN 633 CO -0.00 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.78 1jxo h ALA 634 N 1.83 1.00 -0.35 -0.83 0.00 -1.49 -3.17 119.26 116.25 1jxo h ALA 634 Ca 0.14 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1jxo h ALA 634 Cb 0.59 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1jxo h ALA 634 CO -0.00 0.00 0.21 0.28 0.00 0.00 0.00 179.25 179.74 1jxo h VAL 635 N 0.00 1.06 -0.64 0.00 2.07 -1.27 -1.81 116.25 115.66 1jxo h VAL 635 Ca 0.00 -0.15 -0.05 0.00 0.82 0.00 0.00 66.70 67.32 1jxo h VAL 635 Cb 0.38 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 1jxo h VAL 635 CO 0.00 0.08 0.20 0.03 0.02 0.00 0.00 177.57 177.90 1jxo h ARG 636 N 0.43 0.96 -0.33 1.57 2.47 -1.73 -1.58 114.38 116.18 1jxo h ARG 636 Ca 0.13 -0.19 -0.08 0.00 -1.26 0.00 0.00 59.98 58.58 1jxo h ARG 636 Cb -0.02 -0.15 -0.02 0.00 -1.65 0.00 0.00 29.97 28.14 1jxo h ARG 636 CO -0.05 0.83 -0.14 0.00 0.56 0.00 0.00 179.97 181.16 1jxo h ARG 637 N 0.93 0.58 -0.18 0.04 3.08 -1.59 -1.88 114.38 115.37 1jxo h ARG 637 Ca 0.21 -0.18 -0.22 0.00 0.07 0.00 0.00 59.98 59.86 1jxo h ARG 637 Cb 0.26 -0.05 0.01 0.00 0.08 0.00 0.00 29.97 30.27 1jxo h ARG 637 CO -0.01 0.71 -0.75 -0.07 -1.07 0.00 0.00 179.97 178.78 1jxo h LEU 638 N 0.53 0.96 -0.99 3.04 3.38 -1.00 -2.73 115.31 118.49 1jxo h LEU 638 Ca 0.09 -0.61 -0.00 0.00 0.09 0.00 0.00 57.88 57.45 1jxo h LEU 638 Cb 0.56 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.98 1jxo h LEU 638 CO 0.04 1.42 0.58 1.56 0.09 0.00 0.00 178.44 182.13 1jxo h GLN 639 N 0.57 1.27 -0.04 1.13 4.20 -1.09 0.21 115.11 121.35 1jxo h GLN 639 Ca -0.04 -0.11 -0.07 0.00 0.06 0.00 0.00 58.65 58.49 1jxo h GLN 639 Cb 1.37 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 28.87 1jxo h GLN 639 CO 0.16 0.88 -0.28 0.00 -0.67 0.00 0.00 178.83 178.91 1jxo h ALA 640 N 1.35 1.45 -0.14 3.87 0.00 -1.31 -0.62 119.26 123.85 1jxo h ALA 640 Ca 0.34 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1jxo h ALA 640 Cb -0.08 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1jxo h ALA 640 CO -0.07 0.40 0.00 0.00 0.00 0.00 0.00 179.25 179.59 1jxo n ALA 641 N -2.48 2.51 -2.86 0.00 0.00 -0.50 -4.86 120.51 112.30 1jxo n ALA 641 Ca -0.02 -0.31 -0.22 0.00 0.00 0.00 0.00 53.44 52.89 1jxo n ALA 641 Cb 0.35 -1.07 0.03 0.00 0.00 0.00 0.00 19.45 18.76 1jxo n ALA 641 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1jxo n HIS 642 N -0.08 -1.71 -3.77 0.00 -0.00 -0.24 -4.94 115.22 104.47 1jxo n HIS 642 Ca 0.09 0.40 -0.28 0.00 -0.00 0.00 0.00 57.72 57.94 1jxo n HIS 642 Cb 0.17 -4.32 -0.11 0.00 -0.00 0.00 0.00 29.99 25.73 1jxo n HIS 642 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1jxo n LEU 643 N -3.72 3.12 -4.56 2.41 4.77 0.62 -5.01 117.00 114.64 1jxo n LEU 643 Ca -0.14 -5.25 -0.38 0.00 -0.03 0.00 0.00 56.01 50.21 1jxo n LEU 643 Cb 0.63 -0.70 -0.03 0.00 -2.33 0.00 0.00 43.42 41.00 1jxo n LEU 643 CO 0.42 1.84 1.91 -1.00 -1.33 0.00 0.00 177.39 179.22 1jxo s HIS 644 N -1.69 1.22 0.77 -1.77 3.76 -1.26 -4.04 115.29 112.27 1jxo s HIS 644 Ca 0.29 1.25 -0.12 0.00 -0.15 0.00 0.00 55.06 56.33 1jxo s HIS 644 Cb 0.01 -3.74 0.05 0.00 1.11 0.00 0.00 32.58 30.01 1jxo s HIS 644 CO -0.13 -2.74 1.11 -1.25 -0.85 0.00 0.00 174.74 170.87 1jxo s PRO 645 N 7.67 2.33 -0.47 8.40 0.04 -1.26 -4.28 135.00 147.42 1jxo s PRO 645 Ca 0.92 0.49 -0.11 0.00 0.04 0.00 0.00 61.00 62.34 1jxo s PRO 645 Cb -0.19 -1.96 0.11 0.00 0.04 0.00 0.00 34.50 32.50 1jxo s PRO 645 CO 0.27 -1.42 0.36 0.42 0.04 0.00 0.00 177.00 176.67 1jxo s ILE 646 N -3.29 4.53 -0.41 0.56 1.01 0.27 -4.92 121.20 118.95 1jxo s ILE 646 Ca 0.60 -1.55 -0.18 0.00 0.00 0.00 0.00 60.65 59.52 1jxo s ILE 646 Cb -0.13 -3.88 0.01 0.00 0.01 0.00 0.00 42.46 38.48 1jxo s ILE 646 CO 0.53 -0.70 0.48 0.00 0.00 0.00 0.00 174.94 175.25 1jxo s ALA 647 N 1.46 3.42 -0.24 9.38 0.00 -1.26 -1.20 121.76 133.32 1jxo s ALA 647 Ca 0.04 -1.34 -0.05 0.00 0.00 0.00 0.00 51.96 50.61 1jxo s ALA 647 Cb -0.26 -3.08 -0.01 0.00 0.00 0.00 0.00 23.12 19.78 1jxo s ALA 647 CO 0.02 -1.52 -0.01 0.42 0.00 0.00 0.00 175.76 174.66 1jxo s ILE 648 N 2.31 3.55 -0.25 0.00 1.01 -0.19 0.40 121.20 128.03 1jxo s ILE 648 Ca 0.15 -0.53 -0.12 0.00 0.00 0.00 0.00 60.65 60.16 1jxo s ILE 648 Cb -0.16 -2.68 -0.05 0.00 0.01 0.00 0.00 42.46 39.58 1jxo s ILE 648 CO 0.14 0.34 0.21 0.12 0.00 0.00 0.00 174.94 175.75 1jxo s PHE 649 N 1.49 3.29 -0.47 3.97 5.36 -0.54 0.06 117.98 131.14 1jxo s PHE 649 Ca 0.05 0.25 -0.19 0.00 -0.96 0.00 0.00 56.93 56.08 1jxo s PHE 649 Cb -0.15 -2.35 0.04 0.00 -0.34 0.00 0.00 43.02 40.22 1jxo s PHE 649 CO -0.02 -0.03 0.60 0.42 -1.46 0.00 0.00 175.22 174.73 1jxo s ILE 650 N 1.36 4.90 -0.25 3.12 1.01 -0.23 0.28 121.20 131.40 1jxo s ILE 650 Ca 0.09 -0.25 -0.13 0.00 0.00 0.00 0.00 60.65 60.35 1jxo s ILE 650 Cb -0.14 -4.22 -0.04 0.00 0.01 0.00 0.00 42.46 38.06 1jxo s ILE 650 CO 0.07 -0.66 0.30 -0.60 0.00 0.00 0.00 174.94 174.05 1jxo s ARG 651 N 2.61 4.06 0.16 2.79 3.52 0.16 -4.06 118.95 128.19 1jxo s ARG 651 Ca 0.17 -0.05 -0.30 0.00 -0.13 0.00 0.00 55.73 55.42 1jxo s ARG 651 Cb -0.17 -3.60 -0.08 0.00 -1.56 0.00 0.00 34.95 29.55 1jxo s ARG 651 CO 0.15 -0.12 1.18 -2.14 -0.81 0.00 0.00 175.30 173.56 1jxo s PRO 652 N 1.57 4.50 0.48 5.12 0.02 -1.26 -4.58 135.00 140.85 1jxo s PRO 652 Ca 0.13 1.83 0.27 0.00 0.02 0.00 0.00 61.00 63.25 1jxo s PRO 652 Cb -0.15 -3.27 0.84 0.00 0.02 0.00 0.00 34.50 31.94 1jxo s PRO 652 CO 0.08 -0.10 1.79 0.00 -0.33 0.00 0.00 177.00 178.45 1jxo h ARG 653 N 5.53 0.00 -2.06 5.54 3.08 -1.90 -3.48 114.38 121.09 1jxo h ARG 653 Ca -0.44 0.00 0.35 0.00 0.07 0.00 0.00 59.98 59.96 1jxo h ARG 653 Cb 1.21 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.19 1jxo h ARG 653 CO 0.76 0.05 0.91 -1.54 -1.07 0.00 0.00 179.97 179.08 1jxo s SER 654 N -5.99 0.00 0.16 7.04 1.04 -1.26 -4.94 113.70 109.74 1jxo s SER 654 Ca 0.04 -0.17 -0.13 0.00 0.48 0.00 0.00 55.95 56.16 1jxo s SER 654 Cb 0.07 0.13 0.04 0.00 0.10 0.00 0.00 66.02 66.36 1jxo s SER 654 CO 0.61 -0.26 1.70 0.25 0.98 0.00 0.00 173.24 176.53 1jxo h LEU 655 N 2.00 0.72 -1.08 2.42 5.85 -1.93 -1.94 115.31 121.36 1jxo h LEU 655 Ca -0.22 -0.18 -0.07 0.00 0.84 0.00 0.00 57.88 58.25 1jxo h LEU 655 Cb 1.18 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.01 1jxo h LEU 655 CO 0.31 0.71 -0.08 -0.33 -0.34 0.00 0.00 178.44 178.71 1jxo h GLU 656 N 0.69 0.56 -0.31 1.25 4.39 -1.96 -2.15 114.58 117.06 1jxo h GLU 656 Ca 0.17 -0.15 -0.05 0.00 0.34 0.00 0.00 59.36 59.67 1jxo h GLU 656 Cb 0.22 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.79 1jxo h GLU 656 CO -0.01 0.64 -0.02 -0.97 -1.16 0.00 0.00 179.01 177.49 1jxo h ASN 657 N 0.53 0.45 -0.26 1.42 -0.00 -1.79 -2.14 115.58 113.79 1jxo h ASN 657 Ca 0.10 -0.09 0.02 0.00 -0.00 0.00 0.00 56.30 56.33 1jxo h ASN 657 Cb 0.45 -0.12 -0.02 0.00 -0.00 0.00 0.00 38.32 38.63 1jxo h ASN 657 CO 0.02 0.54 0.13 0.58 -0.00 0.00 0.00 177.43 178.70 1jxo h VAL 658 N 0.46 1.00 0.00 2.57 2.07 -0.68 -0.48 116.25 121.19 1jxo h VAL 658 Ca 0.10 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1jxo h VAL 658 Cb 0.34 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 30.80 1jxo h VAL 658 CO 0.01 0.05 -0.05 -0.07 0.02 0.00 0.00 177.57 177.53 1jxo h LEU 659 N 0.28 0.00 0.22 2.57 3.38 -1.34 0.69 115.31 121.11 1jxo h LEU 659 Ca 0.11 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.79 1jxo h LEU 659 Cb 0.03 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.81 1jxo h LEU 659 CO -0.07 0.05 -1.27 -0.33 0.09 0.00 0.00 178.44 176.92 1jxo h GLU 660 N 0.00 0.47 0.00 1.13 5.08 -0.54 -3.33 114.58 117.38 1jxo h GLU 660 Ca -0.00 -0.80 0.00 0.00 -1.00 0.00 0.00 59.36 57.56 1jxo h GLU 660 Cb 0.31 0.30 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1jxo h GLU 660 CO 0.01 1.38 -0.26 -0.84 -1.00 0.00 0.00 179.01 178.29 1jxo h ILE 661 N -0.02 0.00 -2.98 3.13 3.07 -0.83 -3.40 117.51 116.49 1jxo h ILE 661 Ca -0.22 -0.69 -0.58 0.00 1.55 0.00 0.00 64.86 64.92 1jxo h ILE 661 Cb 2.00 1.53 -0.40 0.00 -0.27 0.00 0.00 36.82 39.68 1jxo h ILE 661 CO 0.24 0.00 -0.77 0.21 -1.05 0.00 0.00 178.15 176.78 1jxo s ASN 662 N -5.02 3.70 -0.13 2.16 3.84 0.21 -3.71 114.94 115.98 1jxo s ASN 662 Ca 0.07 -1.96 0.06 0.00 0.21 0.00 0.00 52.86 51.25 1jxo s ASN 662 Cb 0.10 -0.78 0.41 0.00 -0.55 0.00 0.00 41.25 40.43 1jxo s ASN 662 CO 0.67 -0.36 1.17 2.29 -2.79 0.00 0.00 177.10 178.08 1jxo n LYS 663 N 4.41 2.83 -0.08 0.43 -0.00 -1.25 -4.05 118.16 120.45 1jxo n LYS 663 Ca 0.03 -1.59 0.10 0.00 -0.00 0.00 0.00 58.31 56.84 1jxo n LYS 663 Cb 0.39 -1.86 0.13 0.00 -0.00 0.00 0.00 35.03 33.70 1jxo n LYS 663 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 1jxo n ARG 664 N 0.24 1.30 -4.28 -1.58 0.00 -1.26 -5.04 116.66 106.03 1jxo n ARG 664 Ca 0.16 -2.53 -0.15 0.00 -0.00 0.00 0.00 57.85 55.33 1jxo n ARG 664 Cb 0.78 -1.47 -0.10 0.00 -0.00 0.00 0.00 32.46 31.66 1jxo n ARG 664 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.63 178.59 1jxo s ILE 665 N -2.78 0.97 0.76 8.89 -4.36 -1.26 -5.16 121.20 118.26 1jxo s ILE 665 Ca 0.31 -2.03 -0.09 0.00 -0.26 0.00 0.00 60.65 58.58 1jxo s ILE 665 Cb 0.27 -2.14 0.09 0.00 1.25 0.00 0.00 42.46 41.93 1jxo s ILE 665 CO 0.03 -0.49 1.09 0.42 0.24 0.00 0.00 174.94 176.23 1jxo s THR 666 N -3.46 2.17 0.17 8.37 -4.23 -1.26 -4.89 115.64 112.51 1jxo s THR 666 Ca 0.24 -0.20 -0.12 0.00 -1.18 0.00 0.00 61.69 60.43 1jxo s THR 666 Cb 0.05 -2.97 0.07 0.00 1.34 0.00 0.00 72.50 70.99 1jxo s THR 666 CO 0.05 0.00 1.71 1.05 -0.54 0.00 0.00 174.62 176.89 1jxo h GLU 667 N -0.83 0.92 -0.70 3.99 9.09 -2.00 -0.41 114.58 124.62 1jxo h GLU 667 Ca -0.44 -0.19 -0.03 0.00 0.05 0.00 0.00 59.36 58.75 1jxo h GLU 667 Cb 1.30 -0.14 -0.03 0.00 -1.65 0.00 0.00 28.75 28.24 1jxo h GLU 667 CO 0.57 0.81 0.32 0.93 0.05 0.00 0.00 179.01 181.69 1jxo h GLU 668 N 0.84 1.01 -0.54 1.06 4.39 -1.99 0.66 114.58 120.01 1jxo h GLU 668 Ca 0.19 -0.15 -0.10 0.00 0.34 0.00 0.00 59.36 59.64 1jxo h GLU 668 Cb 0.26 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 1jxo h GLU 668 CO -0.01 0.80 -0.07 1.96 -1.16 0.00 0.00 179.01 180.53 1jxo h GLN 669 N 1.00 0.97 -0.69 2.33 4.20 -1.84 -1.75 115.11 119.34 1jxo h GLN 669 Ca 0.24 -0.33 -0.07 0.00 0.06 0.00 0.00 58.65 58.55 1jxo h GLN 669 Cb 0.14 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.81 1jxo h GLN 669 CO -0.03 1.00 0.15 0.00 -0.67 0.00 0.00 178.83 179.28 1jxo h ALA 670 N 1.04 0.96 -0.42 3.87 0.00 -0.13 -0.26 119.26 124.32 1jxo h ALA 670 Ca 0.15 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1jxo h ALA 670 Cb 0.61 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1jxo h ALA 670 CO 0.04 0.66 0.05 0.07 0.00 0.00 0.00 179.25 180.08 1jxo h ARG 671 N 1.05 0.70 -0.39 0.00 -0.00 -0.68 -0.03 114.38 115.03 1jxo h ARG 671 Ca 0.22 -0.20 -0.09 0.00 -0.00 0.00 0.00 59.98 59.91 1jxo h ARG 671 Cb 0.39 -0.08 -0.02 0.00 -0.00 0.00 0.00 29.97 30.27 1jxo h ARG 671 CO 0.01 0.75 -0.11 1.57 -0.00 0.00 0.00 179.97 182.18 1jxo h LYS 672 N 0.55 0.69 -0.44 0.08 5.09 -1.10 -1.60 116.57 119.84 1jxo h LYS 672 Ca 0.12 -0.22 -0.10 0.00 0.09 0.00 0.00 60.65 60.54 1jxo h LYS 672 Cb 0.40 -0.06 -0.01 0.00 0.10 0.00 0.00 32.23 32.65 1jxo h LYS 672 CO 0.01 0.79 -0.12 0.00 -2.09 0.00 0.00 179.45 178.04 1jxo h ALA 673 N 1.24 0.61 -0.78 0.07 0.00 -0.75 -1.58 119.26 118.07 1jxo h ALA 673 Ca 0.11 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 1jxo h ALA 673 Cb 0.56 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1jxo h ALA 673 CO 0.04 0.51 0.29 0.35 0.00 0.00 0.00 179.25 180.44 1jxo h PHE 674 N 0.69 1.20 -0.36 0.00 3.57 -0.73 0.23 116.94 121.55 1jxo h PHE 674 Ca 0.11 -0.10 -0.05 0.00 3.53 0.00 0.00 57.97 61.46 1jxo h PHE 674 Cb 0.67 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 1jxo h PHE 674 CO 0.05 0.92 0.04 -0.44 -2.23 0.00 0.00 178.31 176.65 1jxo h ASP 675 N 1.14 0.59 -0.23 0.41 3.45 -1.16 -1.24 116.42 119.38 1jxo h ASP 675 Ca 0.26 -0.28 -0.07 0.00 0.43 0.00 0.00 57.03 57.37 1jxo h ASP 675 Cb 0.24 -0.16 -0.02 0.00 -0.56 0.00 0.00 39.33 38.84 1jxo h ASP 675 CO -0.02 0.72 -0.07 0.03 -1.57 0.00 0.00 179.24 178.34 1jxo h ARG 676 N 0.44 0.59 -0.58 3.56 3.08 -0.98 -2.18 114.38 118.30 1jxo h ARG 676 Ca 0.11 -0.16 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 1jxo h ARG 676 Cb 0.40 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 1jxo h ARG 676 CO 0.01 0.67 0.20 0.00 -1.07 0.00 0.00 179.97 179.78 1jxo h ALA 677 N 1.38 0.76 -0.20 0.04 0.00 -0.66 -0.32 119.26 120.25 1jxo h ALA 677 Ca 0.11 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1jxo h ALA 677 Cb 0.46 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1jxo h ALA 677 CO 0.02 0.41 0.13 1.15 0.00 0.00 0.00 179.25 180.96 1jxo h THR 678 N 0.81 1.04 0.00 0.00 2.02 -0.87 -1.00 112.91 114.91 1jxo h THR 678 Ca 0.19 -0.09 -0.08 0.00 0.77 0.00 0.00 66.41 67.20 1jxo h THR 678 Cb 0.25 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 1jxo h THR 678 CO -0.01 0.05 -0.39 0.11 0.37 0.00 0.00 175.52 175.65 1jxo h LYS 679 N 0.26 0.00 -0.15 6.66 1.57 -1.24 -0.85 116.57 122.82 1jxo h LYS 679 Ca 0.08 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.78 1jxo h LYS 679 Cb -0.02 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.29 1jxo h LYS 679 CO -0.02 0.39 -0.19 1.25 -0.57 0.00 0.00 179.45 180.30 1jxo h LEU 680 N 0.00 0.42 -0.87 2.94 5.85 -0.56 -2.37 115.31 120.72 1jxo h LEU 680 Ca -0.00 -0.51 -0.09 0.00 0.84 0.00 0.00 57.88 58.12 1jxo h LEU 680 Cb 0.76 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 1jxo h LEU 680 CO 0.05 0.84 -0.12 -0.08 -0.34 0.00 0.00 178.44 178.80 1jxo h GLU 681 N 0.01 0.71 -0.87 1.25 4.81 -1.06 0.03 114.58 119.45 1jxo h GLU 681 Ca 0.02 -0.23 -0.02 0.00 -0.13 0.00 0.00 59.36 59.00 1jxo h GLU 681 Cb 0.74 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.02 1jxo h GLU 681 CO 0.04 0.80 0.46 1.96 -0.73 0.00 0.00 179.01 181.55 1jxo h GLN 682 N 0.64 1.23 0.01 1.92 4.20 -1.07 -3.11 115.11 118.94 1jxo h GLN 682 Ca 0.11 -0.16 -0.34 0.00 0.06 0.00 0.00 58.65 58.33 1jxo h GLN 682 Cb 0.57 -0.23 -0.05 0.00 0.30 0.00 0.00 27.48 28.06 1jxo h GLN 682 CO 0.04 0.91 -2.04 -1.91 -0.67 0.00 0.00 178.83 175.16 1jxo n GLU 683 N -4.34 0.67 -0.22 1.46 2.13 -0.90 -4.66 120.64 114.78 1jxo n GLU 683 Ca 0.09 0.18 0.06 0.00 0.66 0.00 0.00 57.16 58.15 1jxo n GLU 683 Cb 0.11 -1.67 0.16 0.00 0.27 0.00 0.00 31.44 30.31 1jxo n GLU 683 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 1jxo n PHE 684 N -3.01 0.47 -0.28 4.31 3.01 -0.02 -4.77 117.46 117.16 1jxo n PHE 684 Ca -0.27 -0.69 0.10 0.00 1.01 0.00 0.00 57.45 57.61 1jxo n PHE 684 Cb 1.08 -0.14 0.25 0.00 -0.01 0.00 0.00 39.48 40.67 1jxo n PHE 684 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 1jxo h THR 685 N 1.33 0.48 -0.01 4.37 2.02 -1.71 0.13 112.91 119.52 1jxo h THR 685 Ca 0.00 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.07 1jxo h THR 685 Cb 0.96 0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 67.48 1jxo h THR 685 CO 0.07 0.06 0.02 -0.33 0.37 0.00 0.00 175.52 175.71 1jxo h GLU 686 N 0.34 0.00 0.00 6.66 3.07 -1.90 -1.35 114.58 121.40 1jxo h GLU 686 Ca 0.50 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.36 1jxo h GLU 686 Cb 0.92 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.83 1jxo h GLU 686 CO -0.53 0.00 -0.37 0.00 -1.40 0.00 0.00 179.01 176.70 1jxo s PHE 688 N -3.12 3.62 -0.03 0.00 2.99 -0.51 -4.67 117.98 116.26 1jxo s PHE 688 Ca 0.09 1.67 0.08 0.00 0.00 0.00 0.00 56.93 58.76 1jxo s PHE 688 Cb 0.14 -3.26 -0.24 0.00 0.00 0.00 0.00 43.02 39.66 1jxo s PHE 688 CO 0.67 -0.50 0.69 0.77 -0.00 0.00 0.00 175.22 176.85 1jxo h SER 689 N 4.44 0.10 -5.02 1.36 0.02 -0.38 -3.47 113.55 110.60 1jxo h SER 689 Ca -0.45 -0.20 -0.04 0.00 -0.84 0.00 0.00 61.79 60.25 1jxo h SER 689 Cb 1.21 -0.03 -0.14 0.00 0.14 0.00 0.00 62.40 63.58 1jxo h SER 689 CO 0.70 1.17 0.08 0.00 -1.14 0.00 0.00 176.83 177.64 1jxo s ALA 690 N -2.60 -1.36 -0.12 3.77 0.00 -1.09 -4.59 121.76 115.76 1jxo s ALA 690 Ca -0.07 0.46 0.02 0.00 0.00 0.00 0.00 51.96 52.36 1jxo s ALA 690 Cb 0.08 0.60 0.02 0.00 0.00 0.00 0.00 23.12 23.81 1jxo s ALA 690 CO 0.82 -0.62 -0.16 0.42 0.00 0.00 0.00 175.76 176.22 1jxo s ILE 691 N -3.11 1.62 -0.01 0.00 1.01 -1.26 -1.46 121.20 117.99 1jxo s ILE 691 Ca -0.02 -0.70 0.04 0.00 0.00 0.00 0.00 60.65 59.97 1jxo s ILE 691 Cb -0.00 -1.48 -0.03 0.00 0.01 0.00 0.00 42.46 40.96 1jxo s ILE 691 CO -0.07 0.47 -0.10 -0.69 0.00 0.00 0.00 174.94 174.54 1jxo s VAL 692 N 1.07 3.37 0.12 2.92 1.01 0.14 -4.96 120.40 124.08 1jxo s VAL 692 Ca -0.04 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.13 1jxo s VAL 692 Cb -0.14 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 1jxo s VAL 692 CO -0.04 0.44 0.01 -1.61 0.00 0.00 0.00 175.10 173.90 1jxo s GLU 693 N -1.23 0.91 -0.08 2.72 2.02 -1.26 -0.67 118.70 121.11 1jxo s GLU 693 Ca 0.15 -1.41 -0.32 0.00 0.02 0.00 0.00 54.97 53.40 1jxo s GLU 693 Cb -0.11 0.01 0.14 0.00 0.10 0.00 0.00 34.13 34.28 1jxo s GLU 693 CO 0.05 -0.16 1.42 0.20 0.02 0.00 0.00 175.26 176.79 1jxo s GLY 694 N -3.06 -0.48 0.00 -1.39 0.00 -1.26 -4.63 107.32 96.50 1jxo s GLY 694 Ca 0.19 0.88 0.22 0.00 0.00 0.00 0.00 44.72 46.01 1jxo s GLY 694 CO -0.01 0.54 1.24 1.22 0.00 0.00 0.00 173.10 176.09 1jxo n ASP 695 N -0.53 2.99 -3.44 1.64 8.00 -1.26 -4.82 116.55 119.13 1jxo n ASP 695 Ca -0.09 -1.93 -0.13 0.00 0.71 0.00 0.00 54.79 53.36 1jxo n ASP 695 Cb 0.63 -0.08 -0.03 0.00 -0.02 0.00 0.00 41.12 41.63 1jxo n ASP 695 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1jxo s SER 696 N -1.68 -0.58 0.31 -2.24 1.04 -1.26 -4.42 113.70 104.86 1jxo s SER 696 Ca 0.29 0.13 -0.01 0.00 0.48 0.00 0.00 55.95 56.84 1jxo s SER 696 Cb 0.19 0.58 0.49 0.00 0.10 0.00 0.00 66.02 67.39 1jxo s SER 696 CO 0.28 -0.89 1.97 0.15 0.98 0.00 0.00 173.24 175.73 1jxo h PHE 697 N 2.19 0.96 -0.79 5.02 3.57 -1.77 -2.25 116.94 123.86 1jxo h PHE 697 Ca -0.32 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.27 1jxo h PHE 697 Cb 1.28 -0.32 -0.07 0.00 2.79 0.00 0.00 35.95 39.63 1jxo h PHE 697 CO 0.26 0.62 0.46 0.93 -2.23 0.00 0.00 178.31 178.35 1jxo h GLU 698 N 1.03 0.78 -0.46 1.11 3.07 -1.96 0.19 114.58 118.35 1jxo h GLU 698 Ca 0.27 -0.05 -0.09 0.00 -0.50 0.00 0.00 59.36 58.99 1jxo h GLU 698 Cb -0.09 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 27.63 1jxo h GLU 698 CO -0.06 0.52 -0.08 1.49 -1.40 0.00 0.00 179.01 179.48 1jxo h GLU 699 N 0.81 0.86 -0.58 2.33 4.81 -1.83 -1.50 114.58 119.48 1jxo h GLU 699 Ca 0.37 -0.31 -0.08 0.00 -0.13 0.00 0.00 59.36 59.20 1jxo h GLU 699 Cb 0.27 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 1jxo h GLU 699 CO -0.21 0.95 0.06 0.82 -0.73 0.00 0.00 179.01 179.89 1jxo h ILE 700 N 0.70 1.25 -0.23 2.32 2.04 -0.80 -2.09 117.51 120.70 1jxo h ILE 700 Ca 0.12 -1.03 -0.04 0.00 1.00 0.00 0.00 64.86 64.91 1jxo h ILE 700 Cb 0.61 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 1jxo h ILE 700 CO 0.04 0.38 -0.02 0.22 0.00 0.00 0.00 178.15 178.77 1jxo h TYR 701 N 0.90 0.46 -0.51 1.37 3.20 -0.54 0.13 116.97 121.98 1jxo h TYR 701 Ca 0.18 -0.09 0.06 0.00 3.14 0.00 0.00 58.73 62.02 1jxo h TYR 701 Cb 0.45 -0.12 -0.05 0.00 1.54 0.00 0.00 36.73 38.55 1jxo h TYR 701 CO 0.03 0.61 0.22 1.25 -1.64 0.00 0.00 178.16 178.63 1jxo h HIS 702 N 0.18 0.40 -0.51 -3.82 2.76 -1.16 -1.57 115.15 111.42 1jxo h HIS 702 Ca 0.06 0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.17 1jxo h HIS 702 Cb 0.44 -0.10 -0.02 0.00 1.55 0.00 0.00 27.41 29.28 1jxo h HIS 702 CO 0.04 0.16 -0.04 0.87 -1.30 0.00 0.00 177.93 177.66 1jxo h LYS 703 N 0.43 0.89 -0.45 5.26 1.57 -1.19 -2.20 116.57 120.89 1jxo h LYS 703 Ca 0.24 -0.28 0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1jxo h LYS 703 Cb 0.21 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 1jxo h LYS 703 CO -0.21 0.92 0.24 0.28 -0.57 0.00 0.00 179.45 180.11 1jxo h VAL 704 N 0.82 1.00 -0.81 0.50 2.07 -0.19 0.08 116.25 119.72 1jxo h VAL 704 Ca 0.15 -0.17 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 1jxo h VAL 704 Cb 0.55 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 30.76 1jxo h VAL 704 CO 0.03 0.09 0.40 0.11 0.02 0.00 0.00 177.57 178.22 1jxo h LYS 705 N 0.48 1.16 -0.36 1.57 1.57 -1.12 -1.79 116.57 118.08 1jxo h LYS 705 Ca 0.19 -0.16 -0.11 0.00 -1.87 0.00 0.00 60.65 58.69 1jxo h LYS 705 Cb 0.06 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 1jxo h LYS 705 CO -0.11 0.88 -0.24 0.00 -0.57 0.00 0.00 179.45 179.41 1jxo h ARG 706 N 1.15 0.73 -0.26 3.15 2.47 -0.74 -2.14 114.38 118.73 1jxo h ARG 706 Ca 0.28 -0.30 -0.03 0.00 -1.26 0.00 0.00 59.98 58.67 1jxo h ARG 706 Cb 0.09 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.37 1jxo h ARG 706 CO -0.04 0.90 0.04 0.28 0.56 0.00 0.00 179.97 181.71 1jxo h VAL 707 N 0.63 1.23 -0.46 2.04 2.07 -0.63 -0.95 116.25 120.18 1jxo h VAL 707 Ca 0.09 -0.81 0.03 0.00 0.82 0.00 0.00 66.70 66.83 1jxo h VAL 707 Cb 0.74 1.25 -0.04 0.00 -1.52 0.00 0.00 31.29 31.73 1jxo h VAL 707 CO 0.06 0.26 0.24 0.40 0.02 0.00 0.00 177.57 178.55 1jxo h ILE 708 N 0.25 0.99 -0.44 4.57 2.04 -1.24 -1.36 117.51 122.32 1jxo h ILE 708 Ca 0.08 -0.17 -0.02 0.00 1.00 0.00 0.00 64.86 65.76 1jxo h ILE 708 Cb 0.35 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 1jxo h ILE 708 CO 0.01 0.09 0.21 -0.08 0.00 0.00 0.00 178.15 178.38 1jxo h GLU 709 N 0.49 0.64 -0.44 2.37 4.81 -1.25 -1.95 114.58 119.24 1jxo h GLU 709 Ca 0.20 -0.09 -0.04 0.00 -0.13 0.00 0.00 59.36 59.30 1jxo h GLU 709 Cb 0.09 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 1jxo h GLU 709 CO -0.13 0.54 0.10 -0.44 -0.73 0.00 0.00 179.01 178.36 1jxo h ASP 710 N 0.57 0.60 -0.58 1.04 3.45 -0.76 -2.98 116.42 117.78 1jxo h ASP 710 Ca 0.15 -0.09 0.00 0.00 0.43 0.00 0.00 57.03 57.52 1jxo h ASP 710 Cb 0.11 -0.16 0.00 0.00 -0.56 0.00 0.00 39.33 38.73 1jxo h ASP 710 CO -0.02 0.61 0.00 0.18 -1.57 0.00 0.00 179.24 178.44 1jxo n LEU 711 N -4.31 4.85 -1.68 1.55 4.77 -0.55 -4.53 117.00 117.11 1jxo n LEU 711 Ca 0.03 -2.61 -0.16 0.00 -0.03 0.00 0.00 56.01 53.23 1jxo n LEU 711 Cb 0.20 -0.59 0.14 0.00 -2.33 0.00 0.00 43.42 40.85 1jxo n LEU 711 CO 0.39 0.75 0.82 -1.20 -1.33 0.00 0.00 177.39 176.82 1jxo n SER 712 N 0.80 4.01 -4.97 -1.43 7.64 -0.75 -4.94 113.62 113.97 1jxo n SER 712 Ca 0.25 -3.76 -0.21 0.00 1.01 0.00 0.00 58.87 56.15 1jxo n SER 712 Cb 0.95 -0.68 0.04 0.00 -1.01 0.00 0.00 64.21 63.51 1jxo n SER 712 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1jxo s GLY 713 N -2.43 1.80 0.54 0.23 0.00 -1.26 -4.96 107.32 101.23 1jxo s GLY 713 Ca 0.51 -1.29 0.20 0.00 0.00 0.00 0.00 44.72 44.15 1jxo s GLY 713 CO 0.02 -1.00 2.15 -2.55 0.00 0.00 0.00 173.10 171.72 1jxo h PRO 714 N 0.05 0.00 -5.61 2.90 0.11 -1.96 -3.40 132.00 124.09 1jxo h PRO 714 Ca -0.42 0.00 -0.66 0.00 0.11 0.00 0.00 66.00 65.03 1jxo h PRO 714 Cb 1.29 0.00 -0.23 0.00 0.11 0.00 0.00 31.00 32.18 1jxo h PRO 714 CO 0.53 0.00 -0.72 0.71 -0.21 0.00 0.00 178.00 178.31 1jxo s TYR 715 N -4.96 2.90 0.09 0.65 1.51 -1.26 -0.16 117.35 116.11 1jxo s TYR 715 Ca -0.05 -0.32 -0.00 0.00 -1.01 0.00 0.00 57.07 55.68 1jxo s TYR 715 Cb 0.17 -1.83 -0.04 0.00 -0.11 0.00 0.00 41.96 40.15 1jxo s TYR 715 CO 0.65 0.02 -0.01 0.96 -1.11 0.00 0.00 175.55 176.05 1jxo s ILE 716 N -0.04 0.29 0.01 2.71 -4.36 -0.20 -4.94 121.20 114.67 1jxo s ILE 716 Ca -0.01 -1.87 -0.15 0.00 -0.26 0.00 0.00 60.65 58.37 1jxo s ILE 716 Cb -0.14 -1.72 -0.06 0.00 1.25 0.00 0.00 42.46 41.80 1jxo s ILE 716 CO 0.03 -0.81 0.42 0.26 0.24 0.00 0.00 174.94 175.09 1jxo s TRP 717 N -3.89 3.73 0.04 1.37 0.52 -1.26 -0.58 118.94 118.87 1jxo s TRP 717 Ca 0.13 1.01 -0.10 0.00 0.02 0.00 0.00 56.10 57.17 1jxo s TRP 717 Cb 0.07 -2.30 0.01 0.00 -1.15 0.00 0.00 33.47 30.10 1jxo s TRP 717 CO -0.05 0.64 0.21 0.14 0.02 0.00 0.00 176.95 177.90 1jxo s VAL 718 N -1.10 0.11 0.16 4.03 -7.23 -0.24 -4.93 120.40 111.19 1jxo s VAL 718 Ca 0.25 -0.88 -0.34 0.00 -1.81 0.00 0.00 61.98 59.20 1jxo s VAL 718 Cb -0.17 -0.93 -0.16 0.00 0.56 0.00 0.00 36.38 35.69 1jxo s VAL 718 CO 0.14 -0.49 1.21 -2.65 -0.31 0.00 0.00 175.10 173.01 1jxo n PRO 719 N 0.65 1.21 0.00 4.82 -0.02 -1.26 -1.03 135.00 139.37 1jxo n PRO 719 Ca -0.19 0.43 0.16 0.00 -2.02 0.00 0.00 63.50 61.88 1jxo n PRO 719 Cb 0.59 -1.97 0.94 0.00 -0.02 0.00 0.00 33.50 33.04 1jxo n PRO 719 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48