#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ii5 s ASP 448 N 0.00 4.47 -0.07 -2.24 2.15 -1.26 -4.95 116.67 114.78 3ii5 s ASP 448 Ca 0.00 -1.30 0.20 0.00 0.43 0.00 0.00 52.55 51.88 3ii5 s ASP 448 Cb 0.00 -1.59 0.68 0.00 -0.30 0.00 0.00 42.92 41.71 3ii5 s ASP 448 CO 0.00 -0.19 1.58 0.79 -0.17 0.00 0.00 175.17 177.18 3ii5 n TRP 449 N 4.50 1.25 -2.49 -5.34 7.02 -1.26 -4.94 117.44 116.17 3ii5 n TRP 449 Ca -0.14 -0.57 -0.39 0.00 -1.02 0.00 0.00 57.50 55.38 3ii5 n TRP 449 Cb 0.43 -0.14 -0.04 0.00 -2.42 0.00 0.00 31.31 29.14 3ii5 n TRP 449 CO 0.00 0.00 0.00 -2.00 -2.02 0.00 0.00 177.69 173.67 3ii5 s GLU 450 N -1.50 4.47 -0.26 -0.99 2.12 -1.26 -1.96 118.70 119.32 3ii5 s GLU 450 Ca 0.50 1.71 0.03 0.00 0.36 0.00 0.00 54.97 57.56 3ii5 s GLU 450 Cb 0.29 -2.96 0.06 0.00 0.26 0.00 0.00 34.13 31.78 3ii5 s GLU 450 CO 0.28 0.08 -0.10 0.42 -0.54 0.00 0.00 175.26 175.40 3ii5 s ILE 451 N -1.33 2.19 0.51 -3.70 1.01 0.28 -4.89 121.20 115.28 3ii5 s ILE 451 Ca 0.49 -1.66 -0.21 0.00 0.00 0.00 0.00 60.65 59.28 3ii5 s ILE 451 Cb -0.29 -2.30 -0.08 0.00 0.01 0.00 0.00 42.46 39.80 3ii5 s ILE 451 CO 0.36 -0.05 0.87 -2.65 0.00 0.00 0.00 174.94 173.48 3ii5 n PRO 452 N 4.43 0.98 -0.79 2.79 -0.02 -1.26 -4.59 135.00 136.54 3ii5 n PRO 452 Ca -0.13 0.37 -0.31 0.00 -2.02 0.00 0.00 63.50 61.40 3ii5 n PRO 452 Cb 0.42 -1.99 0.15 0.00 -0.02 0.00 0.00 33.50 32.06 3ii5 n PRO 452 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3ii5 s ASP 453 N -1.02 3.17 0.00 2.55 2.15 -1.26 -3.25 116.67 119.01 3ii5 s ASP 453 Ca 0.69 2.14 0.00 0.00 0.43 0.00 0.00 52.55 55.81 3ii5 s ASP 453 Cb -0.49 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 39.57 3ii5 s ASP 453 CO 0.53 -2.94 0.00 0.61 -0.17 0.00 0.00 175.17 173.20 3ii5 n GLY 454 N -0.01 2.42 0.28 2.66 0.00 -1.26 -4.83 105.19 104.46 3ii5 n GLY 454 Ca 0.11 -0.56 -0.01 0.00 0.00 0.00 0.00 46.02 45.56 3ii5 n GLY 454 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3ii5 h GLN 455 N 0.00 0.78 -5.87 1.61 4.20 -1.92 -3.41 115.11 110.50 3ii5 h GLN 455 Ca 0.00 -0.05 -0.57 0.00 0.06 0.00 0.00 58.65 58.09 3ii5 h GLN 455 Cb 0.00 -0.18 -0.07 0.00 0.30 0.00 0.00 27.48 27.54 3ii5 h GLN 455 CO 0.00 0.52 -0.01 0.42 -0.67 0.00 0.00 178.83 179.09 3ii5 s ILE 456 N -6.09 5.11 -0.50 2.54 1.01 -1.26 -4.75 121.20 117.25 3ii5 s ILE 456 Ca -0.13 1.21 -0.15 0.00 0.00 0.00 0.00 60.65 61.58 3ii5 s ILE 456 Cb 0.17 -3.94 0.10 0.00 0.01 0.00 0.00 42.46 38.80 3ii5 s ILE 456 CO 0.77 0.27 0.43 -0.89 0.00 0.00 0.00 174.94 175.53 3ii5 s THR 457 N 0.82 5.19 0.22 2.92 2.01 -0.67 -4.93 115.64 121.20 3ii5 s THR 457 Ca 0.32 -1.26 -0.30 0.00 0.31 0.00 0.00 61.69 60.76 3ii5 s THR 457 Cb -0.16 -4.20 -0.09 0.00 0.01 0.00 0.00 72.50 68.06 3ii5 s THR 457 CO 0.14 -0.70 1.22 -0.69 -0.69 0.00 0.00 174.62 173.91 3ii5 s VAL 458 N 1.62 3.36 0.00 3.82 1.01 -1.26 -0.98 120.40 127.96 3ii5 s VAL 458 Ca 0.04 1.19 0.00 0.00 0.00 0.00 0.00 61.98 63.21 3ii5 s VAL 458 Cb -0.27 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.35 3ii5 s VAL 458 CO 0.05 0.21 0.00 0.61 0.00 0.00 0.00 175.10 175.97 3ii5 n GLY 459 N 1.90 3.91 3.64 4.51 0.00 0.38 -4.96 105.19 114.58 3ii5 n GLY 459 Ca 0.03 -0.82 -0.47 0.00 0.00 0.00 0.00 46.02 44.77 3ii5 n GLY 459 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3ii5 n GLN 460 N 0.00 1.76 -2.45 1.61 7.27 -1.25 -4.64 117.38 119.68 3ii5 n GLN 460 Ca 0.00 0.63 -0.41 0.00 0.07 0.00 0.00 57.00 57.29 3ii5 n GLN 460 Cb 0.00 -2.28 -0.04 0.00 2.41 0.00 0.00 30.24 30.33 3ii5 n GLN 460 CO 0.00 0.00 0.00 0.50 0.07 0.00 0.00 177.06 177.63 3ii5 s ARG 461 N 0.05 4.55 0.00 3.69 3.52 -1.26 -1.01 118.95 128.49 3ii5 s ARG 461 Ca 0.74 1.80 0.00 0.00 -0.13 0.00 0.00 55.73 58.14 3ii5 s ARG 461 Cb -0.74 -3.25 0.00 0.00 -1.56 0.00 0.00 34.95 29.40 3ii5 s ARG 461 CO 0.47 0.02 0.00 0.44 -0.81 0.00 0.00 175.30 175.42 3ii5 n ILE 462 N 2.27 0.00 -3.64 4.11 -5.35 -0.04 -4.91 119.36 111.81 3ii5 n ILE 462 Ca 0.03 -0.27 -0.06 0.00 -0.27 0.00 0.00 62.75 62.18 3ii5 n ILE 462 Cb 0.45 0.80 -0.07 0.00 -1.74 0.00 0.00 39.64 39.08 3ii5 n ILE 462 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3ii5 s GLY 463 N -1.14 -0.50 -0.02 3.28 0.00 -0.96 -5.00 107.32 102.98 3ii5 s GLY 463 Ca 0.00 2.58 0.04 0.00 0.00 0.00 0.00 44.72 47.34 3ii5 s GLY 463 CO 0.00 2.49 -0.13 -0.56 0.00 0.00 0.00 173.10 174.90 3ii5 s SER 464 N 1.64 4.14 0.29 1.64 0.01 -1.26 -0.91 113.70 119.26 3ii5 s SER 464 Ca -0.10 -0.22 -0.05 0.00 1.31 0.00 0.00 55.95 56.90 3ii5 s SER 464 Cb -0.05 -0.87 -0.01 0.00 0.21 0.00 0.00 66.02 65.31 3ii5 s SER 464 CO -0.19 0.32 0.42 -0.83 0.41 0.00 0.00 173.24 173.36 3ii5 s GLY 465 N -1.03 1.25 0.09 3.44 0.00 -1.09 -4.93 107.32 105.04 3ii5 s GLY 465 Ca 0.13 -1.39 -0.21 0.00 0.00 0.00 0.00 44.72 43.25 3ii5 s GLY 465 CO 0.03 -0.97 1.66 1.76 0.00 0.00 0.00 173.10 175.58 3ii5 h SER 466 N 2.23 0.15 -3.18 1.64 0.02 -1.79 -3.34 113.55 109.27 3ii5 h SER 466 Ca -0.29 -0.11 -0.66 0.00 -0.84 0.00 0.00 61.79 59.89 3ii5 h SER 466 Cb 1.24 -0.04 -0.39 0.00 0.14 0.00 0.00 62.40 63.36 3ii5 h SER 466 CO 0.40 0.22 -0.33 0.49 -1.14 0.00 0.00 176.83 176.47 3ii5 n PHE 467 N -4.94 3.75 0.00 3.45 3.01 -1.08 -5.03 117.46 116.61 3ii5 n PHE 467 Ca -0.05 -4.22 0.00 0.00 1.01 0.00 0.00 57.45 54.19 3ii5 n PHE 467 Cb 0.09 -0.88 0.00 0.00 -0.01 0.00 0.00 39.48 38.68 3ii5 n PHE 467 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3ii5 n GLY 468 N 2.10 2.73 3.18 1.37 0.00 -1.25 -4.84 105.19 108.48 3ii5 n GLY 468 Ca 0.21 -1.77 -0.23 0.00 0.00 0.00 0.00 46.02 44.23 3ii5 n GLY 468 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ii5 s THR 469 N -2.15 1.32 -0.15 2.61 2.01 -1.04 -2.68 115.64 115.56 3ii5 s THR 469 Ca 0.00 -0.97 -0.03 0.00 0.31 0.00 0.00 61.69 61.00 3ii5 s THR 469 Cb 0.00 -1.16 -0.02 0.00 0.01 0.00 0.00 72.50 71.33 3ii5 s THR 469 CO 0.00 0.16 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.34 3ii5 s VAL 470 N -0.70 3.58 0.29 3.82 1.01 -0.09 0.62 120.40 128.94 3ii5 s VAL 470 Ca 0.05 -0.46 0.10 0.00 0.00 0.00 0.00 61.98 61.66 3ii5 s VAL 470 Cb -0.08 -2.56 -0.05 0.00 0.00 0.00 0.00 36.38 33.70 3ii5 s VAL 470 CO 0.01 0.49 -0.06 -0.31 0.00 0.00 0.00 175.10 175.24 3ii5 s TYR 471 N 0.48 2.53 0.15 5.22 1.51 0.09 -0.86 117.35 126.48 3ii5 s TYR 471 Ca -0.05 -0.32 -0.23 0.00 -1.01 0.00 0.00 57.07 55.47 3ii5 s TYR 471 Cb -0.15 -1.22 -0.08 0.00 -0.11 0.00 0.00 41.96 40.41 3ii5 s TYR 471 CO 0.03 0.61 0.71 0.21 -1.11 0.00 0.00 175.55 176.00 3ii5 s LYS 472 N -3.64 4.40 0.27 -0.62 2.20 -0.18 -1.03 119.74 121.15 3ii5 s LYS 472 Ca 0.32 0.98 0.02 0.00 -0.36 0.00 0.00 55.97 56.93 3ii5 s LYS 472 Cb -0.04 -3.19 -0.04 0.00 -1.51 0.00 0.00 37.83 33.05 3ii5 s LYS 472 CO 0.18 0.56 0.15 0.20 -0.36 0.00 0.00 175.35 176.08 3ii5 s GLY 473 N -1.23 1.83 -0.15 5.54 0.00 0.21 -0.47 107.32 113.05 3ii5 s GLY 473 Ca 0.35 -1.79 0.00 0.00 0.00 0.00 0.00 44.72 43.28 3ii5 s GLY 473 CO 0.23 -1.53 -0.15 0.54 0.00 0.00 0.00 173.10 172.20 3ii5 s LYS 474 N -3.93 3.24 -0.31 2.90 -0.14 -0.15 -1.90 119.74 119.44 3ii5 s LYS 474 Ca 0.37 -0.74 -0.03 0.00 -1.36 0.00 0.00 55.97 54.22 3ii5 s LYS 474 Cb 0.06 -2.63 0.19 0.00 -1.68 0.00 0.00 37.83 33.77 3ii5 s LYS 474 CO 0.16 0.05 0.84 -0.46 -0.76 0.00 0.00 175.35 175.17 3ii5 s TRP 475 N 0.75 -1.09 -1.57 3.18 -0.00 -1.26 -1.67 118.94 117.28 3ii5 s TRP 475 Ca -0.06 0.51 -0.14 0.00 -0.00 0.00 0.00 56.10 56.41 3ii5 s TRP 475 Cb -0.15 0.19 0.10 0.00 -0.00 0.00 0.00 33.47 33.61 3ii5 s TRP 475 CO 0.01 -0.66 0.87 0.72 -0.00 0.00 0.00 176.95 177.89 3ii5 n HIS 476 N 4.90 -2.06 0.00 5.86 8.25 -1.26 -4.51 115.22 126.40 3ii5 n HIS 476 Ca 0.08 0.86 0.00 0.00 -0.26 0.00 0.00 57.72 58.39 3ii5 n HIS 476 Cb 0.57 -3.65 0.00 0.00 1.12 0.00 0.00 29.99 28.03 3ii5 n HIS 476 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ii5 n GLY 477 N -1.61 0.21 3.77 -1.41 0.00 -1.26 -5.04 105.19 99.84 3ii5 n GLY 477 Ca 0.01 -2.27 -0.39 0.00 0.00 0.00 0.00 46.02 43.37 3ii5 n GLY 477 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ii5 s ASP 478 N -4.00 7.13 0.12 1.61 1.01 -1.26 -4.35 116.67 116.93 3ii5 s ASP 478 Ca 0.00 1.35 0.04 0.00 0.71 0.00 0.00 52.55 54.64 3ii5 s ASP 478 Cb 0.00 -2.42 -0.04 0.00 1.01 0.00 0.00 42.92 41.47 3ii5 s ASP 478 CO 0.00 0.12 -0.09 0.68 0.21 0.00 0.00 175.17 176.09 3ii5 s VAL 479 N -0.46 0.99 -0.12 -1.27 -7.23 -0.80 -3.80 120.40 107.71 3ii5 s VAL 479 Ca 0.34 -1.87 -0.05 0.00 -1.81 0.00 0.00 61.98 58.58 3ii5 s VAL 479 Cb -0.20 -1.62 -0.04 0.00 0.56 0.00 0.00 36.38 35.08 3ii5 s VAL 479 CO 0.21 -0.70 0.09 0.00 -0.31 0.00 0.00 175.10 174.39 3ii5 s ALA 480 N -3.03 3.64 -0.21 1.32 0.00 0.34 -0.62 121.76 123.21 3ii5 s ALA 480 Ca 0.11 -0.70 -0.01 0.00 0.00 0.00 0.00 51.96 51.36 3ii5 s ALA 480 Cb 0.01 -1.81 0.06 0.00 0.00 0.00 0.00 23.12 21.37 3ii5 s ALA 480 CO -0.01 0.56 -0.02 0.08 0.00 0.00 0.00 175.76 176.37 3ii5 s VAL 481 N -0.82 1.10 -0.34 0.00 1.01 -0.19 -0.99 120.40 120.16 3ii5 s VAL 481 Ca 0.13 -0.88 -0.21 0.00 0.00 0.00 0.00 61.98 61.03 3ii5 s VAL 481 Cb -0.12 -1.43 -0.00 0.00 0.00 0.00 0.00 36.38 34.83 3ii5 s VAL 481 CO 0.03 -0.09 0.65 -0.75 0.00 0.00 0.00 175.10 174.94 3ii5 s LYS 482 N 1.60 3.75 0.57 2.72 2.20 -0.45 -0.73 119.74 129.41 3ii5 s LYS 482 Ca -0.03 0.16 0.06 0.00 -0.36 0.00 0.00 55.97 55.80 3ii5 s LYS 482 Cb -0.18 -3.78 0.07 0.00 -1.51 0.00 0.00 37.83 32.44 3ii5 s LYS 482 CO -0.07 -0.70 0.79 1.41 -0.36 0.00 0.00 175.35 176.42 3ii5 s MET 483 N 2.72 2.30 -0.12 4.03 1.75 0.20 -1.58 119.30 128.60 3ii5 s MET 483 Ca 0.25 -1.37 0.10 0.00 -1.25 0.00 0.00 55.69 53.43 3ii5 s MET 483 Cb -0.14 -2.59 -0.15 0.00 2.84 0.00 0.00 34.83 34.79 3ii5 s MET 483 CO 0.14 -0.85 0.03 -0.11 -0.65 0.00 0.00 175.02 173.58 3ii5 n LEU 484 N -2.29 0.28 0.00 4.11 7.94 -0.87 -2.49 117.00 123.68 3ii5 n LEU 484 Ca 0.13 -0.01 0.00 0.00 -1.11 0.00 0.00 56.01 55.02 3ii5 n LEU 484 Cb 0.61 0.22 0.00 0.00 0.53 0.00 0.00 43.42 44.78 3ii5 n LEU 484 CO 0.41 0.34 0.00 0.59 -1.11 0.00 0.00 177.39 177.62 3ii5 n ASN 485 N -2.50 0.00 -4.65 1.96 5.03 -1.26 -3.78 115.26 110.06 3ii5 n ASN 485 Ca -0.21 0.00 -0.42 0.00 0.87 0.00 0.00 54.58 54.82 3ii5 n ASN 485 Cb 0.89 0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 39.62 3ii5 n ASN 485 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3ii5 s VAL 486 N 0.00 3.06 0.10 2.41 1.01 -1.26 -4.88 120.40 120.84 3ii5 s VAL 486 Ca 0.00 0.07 -0.13 0.00 0.00 0.00 0.00 61.98 61.91 3ii5 s VAL 486 Cb 0.00 -3.05 -0.12 0.00 0.00 0.00 0.00 36.38 33.20 3ii5 s VAL 486 CO 0.00 -0.01 1.35 0.71 0.00 0.00 0.00 175.10 177.14 3ii5 h THR 487 N 5.98 1.29 -3.42 3.92 1.35 -1.93 -3.40 112.91 116.71 3ii5 h THR 487 Ca -0.47 -1.78 -0.72 0.00 -0.55 0.00 0.00 66.41 62.89 3ii5 h THR 487 Cb 1.23 1.82 -0.26 0.00 -1.73 0.00 0.00 68.15 69.21 3ii5 h THR 487 CO 0.95 0.57 -0.43 0.00 -0.25 0.00 0.00 175.52 176.36 3ii5 s ALA 488 N -3.98 3.38 -0.09 6.62 0.00 -1.26 -4.99 121.76 121.44 3ii5 s ALA 488 Ca -0.11 -2.08 -0.24 0.00 0.00 0.00 0.00 51.96 49.52 3ii5 s ALA 488 Cb 0.09 -2.79 -0.03 0.00 0.00 0.00 0.00 23.12 20.39 3ii5 s ALA 488 CO 0.88 -1.64 0.76 -2.14 0.00 0.00 0.00 175.76 173.61 3ii5 s PRO 489 N 1.51 4.41 0.42 0.00 0.02 -1.26 -5.05 135.00 135.05 3ii5 s PRO 489 Ca 0.03 0.96 -0.23 0.00 0.02 0.00 0.00 61.00 61.78 3ii5 s PRO 489 Cb -0.23 -3.48 -0.09 0.00 0.02 0.00 0.00 34.50 30.72 3ii5 s PRO 489 CO 0.04 -0.05 1.05 -0.08 -0.33 0.00 0.00 177.00 177.63 3ii5 s THR 490 N 1.18 3.74 0.37 0.99 -1.32 -1.26 -4.82 115.64 114.51 3ii5 s THR 490 Ca 0.39 1.27 0.13 0.00 -1.21 0.00 0.00 61.69 62.27 3ii5 s THR 490 Cb -0.18 -3.62 0.13 0.00 -1.51 0.00 0.00 72.50 67.32 3ii5 s THR 490 CO 0.18 -0.05 1.32 -0.65 -2.21 0.00 0.00 174.62 173.21 3ii5 h PRO 491 N 2.27 0.00 0.04 7.08 0.11 -1.97 0.34 132.00 139.87 3ii5 h PRO 491 Ca -0.49 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 3ii5 h PRO 491 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3ii5 h PRO 491 CO 0.61 0.00 -0.02 1.96 -0.21 0.00 0.00 178.00 180.35 3ii5 h GLN 492 N 0.00 -0.05 0.06 1.05 1.08 -2.00 -2.79 115.11 112.46 3ii5 h GLN 492 Ca 0.00 0.00 -0.26 0.00 -1.45 0.00 0.00 58.65 56.94 3ii5 h GLN 492 Cb 1.02 0.01 0.01 0.00 -0.05 0.00 0.00 27.48 28.47 3ii5 h GLN 492 CO 0.00 0.36 -1.10 1.96 -0.95 0.00 0.00 178.83 179.10 3ii5 h GLN 493 N -0.47 0.48 0.00 1.46 4.20 -0.74 -2.97 115.11 117.07 3ii5 h GLN 493 Ca -0.01 -0.59 -0.01 0.00 0.06 0.00 0.00 58.65 58.10 3ii5 h GLN 493 Cb 0.43 0.19 -0.00 0.00 0.30 0.00 0.00 27.48 28.40 3ii5 h GLN 493 CO 0.01 1.23 -0.04 1.25 -0.67 0.00 0.00 178.83 180.61 3ii5 h LEU 494 N 0.23 0.00 0.14 1.46 5.85 -1.30 -1.20 115.31 120.49 3ii5 h LEU 494 Ca -0.13 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 3ii5 h LEU 494 Cb 1.76 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.79 3ii5 h LEU 494 CO 0.20 0.04 -0.07 -0.61 -0.34 0.00 0.00 178.44 177.66 3ii5 h GLN 495 N 0.00 -0.18 -0.12 1.25 5.75 -1.41 -3.07 115.11 117.33 3ii5 h GLN 495 Ca -0.00 0.01 0.03 0.00 -0.15 0.00 0.00 58.65 58.55 3ii5 h GLN 495 Cb 0.08 0.04 -0.00 0.00 1.07 0.00 0.00 27.48 28.66 3ii5 h GLN 495 CO 0.01 0.28 0.10 0.00 -2.65 0.00 0.00 178.83 176.56 3ii5 h ALA 496 N -0.29 1.94 0.29 3.38 0.00 -1.32 -0.05 119.26 123.21 3ii5 h ALA 496 Ca -0.02 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3ii5 h ALA 496 Cb 0.53 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3ii5 h ALA 496 CO 0.03 -0.16 -0.14 0.35 0.00 0.00 0.00 179.25 179.33 3ii5 h PHE 497 N 0.00 -0.37 -0.69 0.00 3.57 -1.29 -1.48 116.94 116.68 3ii5 h PHE 497 Ca 0.06 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.58 3ii5 h PHE 497 Cb 0.25 0.12 -0.05 0.00 2.79 0.00 0.00 35.95 39.06 3ii5 h PHE 497 CO 0.00 -0.15 0.42 0.87 -2.23 0.00 0.00 178.31 177.22 3ii5 h LYS 498 N -0.50 0.79 -0.49 1.11 1.57 -0.97 -1.72 116.57 116.35 3ii5 h LYS 498 Ca -0.04 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 3ii5 h LYS 498 Cb 0.38 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 3ii5 h LYS 498 CO 0.07 0.52 0.26 -0.91 -0.57 0.00 0.00 179.45 178.82 3ii5 h ASN 499 N 0.81 0.62 0.26 0.86 -0.26 -1.07 0.19 115.58 117.00 3ii5 h ASN 499 Ca 0.28 -0.10 -0.01 0.00 -0.56 0.00 0.00 56.30 55.91 3ii5 h ASN 499 Cb 0.06 -0.16 0.00 0.00 -1.06 0.00 0.00 38.32 37.16 3ii5 h ASN 499 CO -0.12 0.55 -0.13 -0.08 -1.06 0.00 0.00 177.43 176.59 3ii5 h GLU 500 N 0.65 -0.34 -0.70 0.81 4.81 -1.04 -2.09 114.58 116.67 3ii5 h GLU 500 Ca 0.17 0.02 0.11 0.00 -0.13 0.00 0.00 59.36 59.53 3ii5 h GLU 500 Cb 0.07 0.08 -0.08 0.00 0.63 0.00 0.00 28.75 29.45 3ii5 h GLU 500 CO -0.03 -0.12 0.32 0.28 -0.73 0.00 0.00 179.01 178.73 3ii5 h VAL 501 N -0.51 0.78 -0.55 0.32 2.07 -1.18 -0.19 116.25 117.00 3ii5 h VAL 501 Ca -0.04 -0.18 0.02 0.00 0.82 0.00 0.00 66.70 67.32 3ii5 h VAL 501 Cb 0.38 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 3ii5 h VAL 501 CO 0.06 0.10 0.36 1.23 0.02 0.00 0.00 177.57 179.34 3ii5 h GLY 502 N 0.52 0.75 0.72 2.17 0.00 -0.45 -0.68 103.07 106.11 3ii5 h GLY 502 Ca 0.36 -0.27 -0.13 0.00 0.00 0.00 0.00 47.33 47.28 3ii5 h GLY 502 CO -0.31 0.26 -0.51 -2.08 0.00 0.00 0.00 176.54 173.89 3ii5 h VAL 503 N 0.70 1.44 -0.38 4.60 2.07 -0.57 -3.31 116.25 120.81 3ii5 h VAL 503 Ca 0.21 -2.01 0.00 0.00 0.82 0.00 0.00 66.70 65.72 3ii5 h VAL 503 Cb -0.02 2.58 -0.02 0.00 -1.52 0.00 0.00 31.29 32.32 3ii5 h VAL 503 CO -0.05 0.58 0.25 -0.07 0.02 0.00 0.00 177.57 178.30 3ii5 h LEU 504 N -0.16 0.44 -0.25 2.57 3.38 -0.60 -2.35 115.31 118.34 3ii5 h LEU 504 Ca -0.06 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3ii5 h LEU 504 Cb 1.22 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.86 3ii5 h LEU 504 CO 0.10 0.33 0.00 -2.11 0.09 0.00 0.00 178.44 176.86 3ii5 n ARG 505 N -4.81 0.04 0.00 1.13 1.85 -0.30 -0.69 116.66 113.88 3ii5 n ARG 505 Ca 0.00 0.40 0.15 0.00 -1.00 0.00 0.00 57.85 57.39 3ii5 n ARG 505 Cb 0.03 -1.60 0.73 0.00 -1.05 0.00 0.00 32.46 30.58 3ii5 n ARG 505 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 3ii5 n LYS 506 N -1.68 0.48 -3.99 2.89 5.02 -0.89 -4.86 118.16 115.14 3ii5 n LYS 506 Ca 0.02 -0.04 -0.35 0.00 -2.02 0.00 0.00 58.31 55.92 3ii5 n LYS 506 Cb 0.11 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.51 3ii5 n LYS 506 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3ii5 s THR 507 N -2.55 4.43 -0.39 -0.18 -4.23 0.14 -5.02 115.64 107.84 3ii5 s THR 507 Ca 0.29 -0.15 0.03 0.00 -1.18 0.00 0.00 61.69 60.67 3ii5 s THR 507 Cb 0.20 -3.02 0.16 0.00 1.34 0.00 0.00 72.50 71.18 3ii5 s THR 507 CO 0.46 0.42 0.30 -0.13 -0.54 0.00 0.00 174.62 175.13 3ii5 s ARG 508 N 0.86 0.77 -0.11 3.99 0.52 -1.26 -4.81 118.95 118.91 3ii5 s ARG 508 Ca 0.03 -1.79 -0.15 0.00 -0.52 0.00 0.00 55.73 53.30 3ii5 s ARG 508 Cb -0.14 -1.34 0.04 0.00 0.52 0.00 0.00 34.95 34.03 3ii5 s ARG 508 CO 0.02 -1.32 0.38 -1.58 0.02 0.00 0.00 175.30 172.83 3ii5 s HIS 509 N 0.47 -0.37 0.26 -0.53 2.46 -1.26 -5.04 115.29 111.27 3ii5 s HIS 509 Ca 0.27 0.85 0.29 0.00 0.47 0.00 0.00 55.06 56.94 3ii5 s HIS 509 Cb -0.06 0.15 1.33 0.00 -0.13 0.00 0.00 32.58 33.86 3ii5 s HIS 509 CO -0.12 -0.27 1.99 -0.39 -2.47 0.00 0.00 174.74 173.48 3ii5 h VAL 510 N 4.28 0.37 -0.46 0.89 -1.51 -1.99 -2.22 116.25 115.60 3ii5 h VAL 510 Ca -0.28 -0.69 0.00 0.00 -1.23 0.00 0.00 66.70 64.51 3ii5 h VAL 510 Cb 1.18 1.50 0.00 0.00 -2.13 0.00 0.00 31.29 31.84 3ii5 h VAL 510 CO 0.30 0.11 0.00 0.59 -1.23 0.00 0.00 177.57 177.35 3ii5 n ASN 511 N -3.37 2.93 -4.39 4.19 5.03 -1.26 -4.72 115.26 113.67 3ii5 n ASN 511 Ca -0.01 -1.95 -0.33 0.00 0.87 0.00 0.00 54.58 53.17 3ii5 n ASN 511 Cb 0.31 -0.30 -0.14 0.00 -1.02 0.00 0.00 39.78 38.62 3ii5 n ASN 511 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3ii5 s ILE 512 N -1.40 2.97 0.02 2.41 -1.09 -0.84 -0.40 121.20 122.88 3ii5 s ILE 512 Ca 0.37 -0.71 -0.39 0.00 -2.23 0.00 0.00 60.65 57.70 3ii5 s ILE 512 Cb 0.20 -2.22 -0.18 0.00 -1.58 0.00 0.00 42.46 38.68 3ii5 s ILE 512 CO 0.28 0.54 1.24 -0.11 -1.23 0.00 0.00 174.94 175.66 3ii5 n LEU 513 N 3.19 0.90 -4.60 2.97 7.94 0.51 -4.69 117.00 123.22 3ii5 n LEU 513 Ca -0.18 1.14 -0.43 0.00 -1.11 0.00 0.00 56.01 55.43 3ii5 n LEU 513 Cb 0.53 -1.06 -0.02 0.00 0.53 0.00 0.00 43.42 43.40 3ii5 n LEU 513 CO 0.29 -1.42 1.00 -0.22 -1.11 0.00 0.00 177.39 175.93 3ii5 s LEU 514 N 0.41 3.67 0.42 -1.96 2.96 -1.26 -4.99 118.68 117.93 3ii5 s LEU 514 Ca 0.88 0.42 -0.25 0.00 -0.22 0.00 0.00 54.13 54.96 3ii5 s LEU 514 Cb -1.11 -3.51 -0.08 0.00 0.50 0.00 0.00 46.19 41.98 3ii5 s LEU 514 CO 0.53 -1.24 1.27 0.12 -1.32 0.00 0.00 176.35 175.71 3ii5 s PHE 515 N 4.40 2.84 0.00 5.38 5.36 -1.26 -1.15 117.98 133.54 3ii5 s PHE 515 Ca 0.47 1.45 0.00 0.00 -0.96 0.00 0.00 56.93 57.88 3ii5 s PHE 515 Cb -0.07 -3.60 0.00 0.00 -0.34 0.00 0.00 43.02 39.01 3ii5 s PHE 515 CO 0.31 -1.94 0.00 -1.33 -1.46 0.00 0.00 175.22 170.80 3ii5 n MET 516 N -0.01 2.12 0.00 10.12 2.81 -0.43 -4.83 117.12 126.89 3ii5 n MET 516 Ca 0.05 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.94 3ii5 n MET 516 Cb 0.45 -0.73 0.00 0.00 -0.71 0.00 0.00 33.22 32.22 3ii5 n MET 516 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3ii5 n GLY 517 N 1.56 -0.37 3.48 3.03 0.00 -1.03 -4.97 105.19 106.89 3ii5 n GLY 517 Ca 0.00 -1.15 -0.11 0.00 0.00 0.00 0.00 46.02 44.76 3ii5 n GLY 517 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3ii5 s TYR 518 N -2.00 0.73 0.10 1.61 -0.85 -0.83 0.62 117.35 116.73 3ii5 s TYR 518 Ca 0.00 -1.02 -0.17 0.00 -0.52 0.00 0.00 57.07 55.36 3ii5 s TYR 518 Cb 0.00 -0.04 0.03 0.00 0.38 0.00 0.00 41.96 42.33 3ii5 s TYR 518 CO 0.00 -0.96 0.40 -1.54 -1.52 0.00 0.00 175.55 171.93 3ii5 s SER 519 N -3.11 -0.24 0.00 -0.18 1.04 -0.13 -0.55 113.70 110.53 3ii5 s SER 519 Ca 0.28 -0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.49 3ii5 s SER 519 Cb 0.01 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.58 3ii5 s SER 519 CO 0.13 -0.79 0.00 0.35 0.98 0.00 0.00 173.24 173.91 3ii5 n THR 520 N 0.02 0.00 0.00 2.02 -2.24 -1.26 -1.01 114.28 111.81 3ii5 n THR 520 Ca -0.17 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 3ii5 n THR 520 Cb 0.62 0.96 0.00 0.00 -2.10 0.00 0.00 70.33 69.81 3ii5 n THR 520 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3ii5 n LYS 521 N -0.86 0.00 -0.06 -0.78 5.02 -1.26 -3.97 118.16 116.24 3ii5 n LYS 521 Ca 0.00 0.28 -0.18 0.00 -2.02 0.00 0.00 58.31 56.38 3ii5 n LYS 521 Cb 0.00 -0.72 -0.13 0.00 -0.02 0.00 0.00 35.03 34.16 3ii5 n LYS 521 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3ii5 n PRO 522 N -0.59 0.70 -4.13 1.97 -0.05 -1.26 -4.96 135.00 126.68 3ii5 n PRO 522 Ca 0.00 0.20 -0.15 0.00 -0.05 0.00 0.00 63.50 63.50 3ii5 n PRO 522 Cb 0.00 -1.62 -0.11 0.00 -0.05 0.00 0.00 33.50 31.72 3ii5 n PRO 522 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 175.50 174.80 3ii5 s GLN 523 N -2.54 0.72 0.21 0.54 -0.21 -1.25 -4.97 119.66 112.14 3ii5 s GLN 523 Ca -0.26 -0.96 -0.31 0.00 0.02 0.00 0.00 55.36 53.85 3ii5 s GLN 523 Cb 0.08 -0.50 -0.10 0.00 1.00 0.00 0.00 33.01 33.49 3ii5 s GLN 523 CO 0.70 0.09 1.45 -0.51 -2.12 0.00 0.00 175.29 174.91 3ii5 s LEU 524 N -1.95 4.38 -0.11 2.90 1.43 -1.26 -4.11 118.68 119.96 3ii5 s LEU 524 Ca -0.02 2.58 -0.13 0.00 -1.03 0.00 0.00 54.13 55.53 3ii5 s LEU 524 Cb -0.07 -3.61 0.03 0.00 0.03 0.00 0.00 46.19 42.57 3ii5 s LEU 524 CO 0.01 -0.71 0.35 0.00 0.23 0.00 0.00 176.35 176.22 3ii5 s ALA 525 N 0.44 -0.86 -0.08 4.21 0.00 -0.18 -2.05 121.76 123.24 3ii5 s ALA 525 Ca 0.62 0.88 0.04 0.00 0.00 0.00 0.00 51.96 53.51 3ii5 s ALA 525 Cb -0.41 -0.46 -0.00 0.00 0.00 0.00 0.00 23.12 22.25 3ii5 s ALA 525 CO 0.38 -0.19 -0.22 0.42 0.00 0.00 0.00 175.76 176.16 3ii5 s ILE 526 N -0.10 1.85 -0.13 0.00 1.01 -0.62 -0.95 121.20 122.26 3ii5 s ILE 526 Ca -0.03 -0.91 -0.02 0.00 0.00 0.00 0.00 60.65 59.69 3ii5 s ILE 526 Cb -0.03 -1.60 -0.02 0.00 0.01 0.00 0.00 42.46 40.82 3ii5 s ILE 526 CO 0.01 0.51 -0.07 -0.69 0.00 0.00 0.00 174.94 174.71 3ii5 s VAL 527 N 0.25 3.66 0.19 2.92 1.01 0.20 -1.34 120.40 127.30 3ii5 s VAL 527 Ca -0.13 -0.45 0.03 0.00 0.00 0.00 0.00 61.98 61.43 3ii5 s VAL 527 Cb -0.16 -2.57 -0.05 0.00 0.00 0.00 0.00 36.38 33.60 3ii5 s VAL 527 CO 0.06 0.52 -0.03 0.42 0.00 0.00 0.00 175.10 176.07 3ii5 s THR 528 N 0.11 1.00 0.32 3.92 -4.23 -0.16 -1.32 115.64 115.28 3ii5 s THR 528 Ca -0.02 -2.03 -0.24 0.00 -1.18 0.00 0.00 61.69 58.21 3ii5 s THR 528 Cb -0.14 -2.15 -0.16 0.00 1.34 0.00 0.00 72.50 71.39 3ii5 s THR 528 CO 0.03 -0.48 0.32 1.67 -0.54 0.00 0.00 174.62 175.62 3ii5 n GLN 529 N -0.32 0.08 -3.10 3.99 7.27 -0.30 -0.50 117.38 124.49 3ii5 n GLN 529 Ca -0.07 0.03 -0.41 0.00 0.07 0.00 0.00 57.00 56.62 3ii5 n GLN 529 Cb 0.63 -1.06 -0.06 0.00 2.41 0.00 0.00 30.24 32.16 3ii5 n GLN 529 CO 0.00 0.00 0.00 -0.46 0.07 0.00 0.00 177.06 176.67 3ii5 s TRP 530 N -1.38 3.26 -0.27 3.69 -0.11 -1.25 -4.08 118.94 118.81 3ii5 s TRP 530 Ca 0.61 0.76 -0.19 0.00 1.22 0.00 0.00 56.10 58.50 3ii5 s TRP 530 Cb -0.75 -2.90 -0.02 0.00 -1.50 0.00 0.00 33.47 28.30 3ii5 s TRP 530 CO 0.60 -0.37 0.56 0.00 -4.62 0.00 0.00 176.95 173.11 3ii5 s GLU 532 N 2.41 3.89 0.00 0.00 2.56 -1.26 -4.91 118.70 121.39 3ii5 s GLU 532 Ca 0.23 -0.16 0.00 0.00 0.00 0.00 0.00 54.97 55.04 3ii5 s GLU 532 Cb -0.15 -3.69 0.00 0.00 2.00 0.00 0.00 34.13 32.28 3ii5 s GLU 532 CO 0.10 -0.31 0.00 0.41 -0.56 0.00 0.00 175.26 174.89 3ii5 n GLY 533 N 4.84 0.46 3.21 -1.50 0.00 -1.26 0.83 105.19 111.77 3ii5 n GLY 533 Ca -0.10 -1.28 -0.09 0.00 0.00 0.00 0.00 46.02 44.55 3ii5 n GLY 533 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ii5 s SER 534 N -4.00 0.07 0.84 1.61 0.01 -1.26 -5.03 113.70 105.94 3ii5 s SER 534 Ca 0.00 -0.56 -0.11 0.00 1.31 0.00 0.00 55.95 56.59 3ii5 s SER 534 Cb 0.00 0.34 0.09 0.00 0.21 0.00 0.00 66.02 66.67 3ii5 s SER 534 CO 0.00 -0.71 1.10 -0.94 0.41 0.00 0.00 173.24 173.10 3ii5 s SER 535 N -2.71 3.91 0.19 2.44 1.04 -1.26 -1.64 113.70 115.67 3ii5 s SER 535 Ca 0.03 1.75 -0.09 0.00 0.48 0.00 0.00 55.95 58.12 3ii5 s SER 535 Cb 0.04 -2.41 0.09 0.00 0.10 0.00 0.00 66.02 63.84 3ii5 s SER 535 CO -0.10 -2.40 1.68 0.25 0.98 0.00 0.00 173.24 173.66 3ii5 h LEU 536 N -1.38 1.06 -0.57 2.42 5.85 -0.48 -2.52 115.31 119.68 3ii5 h LEU 536 Ca -0.46 -0.26 0.11 0.00 0.84 0.00 0.00 57.88 58.11 3ii5 h LEU 536 Cb 1.25 -0.28 -0.09 0.00 0.37 0.00 0.00 40.66 41.91 3ii5 h LEU 536 CO 0.51 1.05 0.01 0.22 -0.34 0.00 0.00 178.44 179.89 3ii5 h TYR 537 N 1.02 -0.03 0.21 1.25 3.20 -1.65 -0.13 116.97 120.85 3ii5 h TYR 537 Ca 0.20 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 62.11 3ii5 h TYR 537 Cb 0.44 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.81 3ii5 h TYR 537 CO 0.03 -0.14 -0.15 1.25 -1.64 0.00 0.00 178.16 177.52 3ii5 h HIS 538 N 0.12 -0.38 -0.63 -3.82 2.76 -1.76 0.63 115.15 112.07 3ii5 h HIS 538 Ca 0.29 -0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.52 3ii5 h HIS 538 Cb 0.46 0.14 -0.06 0.00 1.55 0.00 0.00 27.41 29.50 3ii5 h HIS 538 CO -0.34 -0.23 0.33 0.45 -1.30 0.00 0.00 177.93 176.84 3ii5 h HIS 539 N -0.36 0.60 0.01 5.26 3.86 -1.09 -1.34 115.15 122.09 3ii5 h HIS 539 Ca -0.02 0.02 -0.18 0.00 -1.16 0.00 0.00 60.37 59.04 3ii5 h HIS 539 Cb 0.31 -0.18 0.01 0.00 1.06 0.00 0.00 27.41 28.62 3ii5 h HIS 539 CO -0.10 0.27 -0.69 -0.07 0.86 0.00 0.00 177.93 178.20 3ii5 h LEU 540 N 0.61 0.59 -1.37 2.43 4.07 -0.63 0.28 115.31 121.28 3ii5 h LEU 540 Ca 0.29 -0.77 0.00 0.00 0.08 0.00 0.00 57.88 57.48 3ii5 h LEU 540 Cb 0.21 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 41.77 3ii5 h LEU 540 CO -0.20 1.29 0.00 1.41 -1.08 0.00 0.00 178.44 179.86 3ii5 n HIS 541 N -4.15 0.00 0.00 1.13 8.25 0.18 -4.14 115.22 116.49 3ii5 n HIS 541 Ca -0.11 -0.10 -0.01 0.00 -0.26 0.00 0.00 57.72 57.25 3ii5 n HIS 541 Cb 0.72 -0.01 -0.00 0.00 1.12 0.00 0.00 29.99 31.81 3ii5 n HIS 541 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 3ii5 n ILE 542 N -0.10 0.27 -0.00 1.59 5.41 -0.60 -4.76 119.36 121.17 3ii5 n ILE 542 Ca 0.00 0.06 0.08 0.00 1.00 0.00 0.00 62.75 63.88 3ii5 n ILE 542 Cb 0.05 -1.53 0.17 0.00 -0.71 0.00 0.00 39.64 37.62 3ii5 n ILE 542 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 3ii5 n ILE 543 N -3.14 0.73 -3.84 1.39 -5.35 -0.63 -5.00 119.36 103.53 3ii5 n ILE 543 Ca -0.02 -0.86 -0.24 0.00 -0.27 0.00 0.00 62.75 61.36 3ii5 n ILE 543 Cb 0.43 0.72 -0.07 0.00 -1.74 0.00 0.00 39.64 38.98 3ii5 n ILE 543 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3ii5 n GLU 544 N 0.87 -0.94 -1.63 6.28 1.02 -0.42 -4.84 120.64 120.98 3ii5 n GLU 544 Ca 0.14 0.07 -0.48 0.00 -0.02 0.00 0.00 57.16 56.87 3ii5 n GLU 544 Cb 0.46 -2.75 -0.05 0.00 -0.02 0.00 0.00 31.44 29.08 3ii5 n GLU 544 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3ii5 n THR 545 N -3.60 0.21 -3.21 2.62 -1.04 0.84 -4.94 114.28 105.16 3ii5 n THR 545 Ca -0.20 -0.05 -0.45 0.00 -2.04 0.00 0.00 64.05 61.30 3ii5 n THR 545 Cb 0.50 -1.22 -0.05 0.00 -1.82 0.00 0.00 70.33 67.74 3ii5 n THR 545 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3ii5 s LYS 546 N 0.47 3.04 0.41 -2.82 -0.14 -1.26 -4.76 119.74 114.68 3ii5 s LYS 546 Ca 0.79 -1.54 -0.19 0.00 -1.36 0.00 0.00 55.97 53.67 3ii5 s LYS 546 Cb -0.79 -4.29 -0.10 0.00 -1.68 0.00 0.00 37.83 30.97 3ii5 s LYS 546 CO 0.44 -1.44 0.89 -0.06 -0.76 0.00 0.00 175.35 174.42 3ii5 s PHE 547 N 2.11 3.34 0.55 3.18 0.40 -1.26 -5.06 117.98 121.24 3ii5 s PHE 547 Ca 0.08 1.48 -0.17 0.00 -0.60 0.00 0.00 56.93 57.71 3ii5 s PHE 547 Cb -0.26 -2.75 -0.06 0.00 0.51 0.00 0.00 43.02 40.46 3ii5 s PHE 547 CO 0.04 -0.08 1.04 -1.21 0.70 0.00 0.00 175.22 175.71 3ii5 s GLU 548 N -3.22 3.59 0.40 0.44 2.02 -1.26 -4.82 118.70 115.85 3ii5 s GLU 548 Ca 0.59 1.20 0.11 0.00 0.02 0.00 0.00 54.97 56.89 3ii5 s GLU 548 Cb -0.09 -2.07 0.92 0.00 0.10 0.00 0.00 34.13 32.98 3ii5 s GLU 548 CO 0.16 -0.59 1.97 1.98 0.02 0.00 0.00 175.26 178.80 3ii5 h MET 549 N 0.87 0.53 -0.56 1.61 1.85 -1.97 0.15 114.93 117.41 3ii5 h MET 549 Ca -0.48 -0.03 -0.07 0.00 -0.61 0.00 0.00 59.70 58.52 3ii5 h MET 549 Cb 1.21 -0.12 -0.02 0.00 0.43 0.00 0.00 31.60 33.10 3ii5 h MET 549 CO 0.59 0.35 0.08 0.82 -0.40 0.00 0.00 176.91 178.35 3ii5 h ILE 550 N 0.54 1.24 -0.08 1.77 2.04 -1.99 -1.97 117.51 119.07 3ii5 h ILE 550 Ca 0.30 -0.94 -0.23 0.00 1.00 0.00 0.00 64.86 64.99 3ii5 h ILE 550 Cb 0.46 0.72 0.01 0.00 -0.74 0.00 0.00 36.82 37.27 3ii5 h ILE 550 CO -0.09 0.35 -0.86 0.50 0.00 0.00 0.00 178.15 178.04 3ii5 h LYS 551 N 0.85 0.67 -0.00 2.37 1.63 -1.16 -2.03 116.57 118.90 3ii5 h LYS 551 Ca 0.18 -0.60 0.00 0.00 -0.85 0.00 0.00 60.65 59.37 3ii5 h LYS 551 Cb 0.39 0.14 -0.00 0.00 -0.60 0.00 0.00 32.23 32.16 3ii5 h LYS 551 CO 0.01 1.21 0.00 -0.07 -3.45 0.00 0.00 179.45 177.16 3ii5 h LEU 552 N 0.43 0.01 -0.90 5.20 3.38 -0.94 -0.93 115.31 121.56 3ii5 h LEU 552 Ca -0.07 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 57.92 3ii5 h LEU 552 Cb 1.49 -0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.18 3ii5 h LEU 552 CO 0.17 0.03 0.58 0.40 0.09 0.00 0.00 178.44 179.70 3ii5 h ILE 553 N -0.02 1.12 0.16 1.22 2.04 -1.35 -1.86 117.51 118.82 3ii5 h ILE 553 Ca 0.00 -0.38 0.01 0.00 1.00 0.00 0.00 64.86 65.49 3ii5 h ILE 553 Cb 0.02 -0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.00 3ii5 h ILE 553 CO -0.00 0.20 -0.20 -0.78 0.00 0.00 0.00 178.15 177.38 3ii5 h ASP 554 N 1.10 -0.53 -0.81 1.72 3.58 -1.03 -1.00 116.42 119.46 3ii5 h ASP 554 Ca 0.37 0.06 0.16 0.00 0.42 0.00 0.00 57.03 58.03 3ii5 h ASP 554 Cb 0.06 0.19 -0.06 0.00 1.72 0.00 0.00 39.33 41.24 3ii5 h ASP 554 CO -0.14 -0.28 0.53 0.40 -2.88 0.00 0.00 179.24 176.87 3ii5 h ILE 555 N -0.40 0.78 -0.28 2.25 2.04 -0.73 -0.11 117.51 121.05 3ii5 h ILE 555 Ca 0.01 -0.16 -0.07 0.00 1.00 0.00 0.00 64.86 65.65 3ii5 h ILE 555 Cb 0.39 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 3ii5 h ILE 555 CO -0.08 0.08 -0.08 0.00 0.00 0.00 0.00 178.15 178.08 3ii5 h ALA 556 N 1.63 0.39 -0.32 1.87 0.00 -0.63 -2.43 119.26 119.78 3ii5 h ALA 556 Ca 0.40 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3ii5 h ALA 556 Cb 0.89 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 3ii5 h ALA 556 CO -0.14 0.22 0.21 -0.09 0.00 0.00 0.00 179.25 179.44 3ii5 h ARG 557 N 0.31 0.42 -0.61 0.00 2.43 0.23 -0.62 114.38 116.55 3ii5 h ARG 557 Ca 0.07 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.18 3ii5 h ARG 557 Cb 0.57 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.99 3ii5 h ARG 557 CO 0.03 0.29 0.27 1.96 -1.51 0.00 0.00 179.97 181.01 3ii5 h GLN 558 N 0.43 0.86 -0.42 0.20 4.20 -1.22 -0.01 115.11 119.14 3ii5 h GLN 558 Ca 0.12 -0.12 -0.06 0.00 0.06 0.00 0.00 58.65 58.65 3ii5 h GLN 558 Cb -0.03 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.57 3ii5 h GLN 558 CO -0.02 0.69 0.04 1.15 -0.67 0.00 0.00 178.83 180.01 3ii5 h THR 559 N 0.86 1.25 -0.26 -0.54 2.02 -0.91 -2.22 112.91 113.11 3ii5 h THR 559 Ca 0.21 -0.95 0.02 0.00 0.77 0.00 0.00 66.41 66.45 3ii5 h THR 559 Cb 0.12 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 3ii5 h THR 559 CO -0.02 0.33 0.13 0.00 0.37 0.00 0.00 175.52 176.33 3ii5 h ALA 560 N 0.92 0.32 -0.21 6.16 0.00 -0.61 -1.90 119.26 123.94 3ii5 h ALA 560 Ca 0.13 0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.09 3ii5 h ALA 560 Cb 0.43 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.10 3ii5 h ALA 560 CO 0.01 -0.26 -0.45 1.96 0.00 0.00 0.00 179.25 180.51 3ii5 h GLN 561 N 0.28 -0.45 -0.37 0.00 4.20 -0.78 0.54 115.11 118.53 3ii5 h GLN 561 Ca 0.11 0.03 0.06 0.00 0.06 0.00 0.00 58.65 58.91 3ii5 h GLN 561 Cb 0.02 0.10 -0.05 0.00 0.30 0.00 0.00 27.48 27.85 3ii5 h GLN 561 CO -0.07 -0.30 0.04 0.78 -0.67 0.00 0.00 178.83 178.60 3ii5 h GLY 562 N -0.47 0.40 1.44 3.46 0.00 -1.30 -0.92 103.07 105.67 3ii5 h GLY 562 Ca 0.08 0.01 -0.07 0.00 0.00 0.00 0.00 47.33 47.36 3ii5 h GLY 562 CO -0.46 -0.06 -0.00 -0.33 0.00 0.00 0.00 176.54 175.69 3ii5 h MET 563 N 0.15 0.69 0.14 4.80 2.86 -0.64 0.14 114.93 123.08 3ii5 h MET 563 Ca 0.18 -0.17 0.01 0.00 -2.06 0.00 0.00 59.70 57.65 3ii5 h MET 563 Cb 0.23 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 3ii5 h MET 563 CO -0.27 0.71 -0.19 0.22 1.06 0.00 0.00 176.91 178.44 3ii5 h ASP 564 N 0.65 -0.52 -0.46 1.22 3.58 0.55 -2.01 116.42 119.42 3ii5 h ASP 564 Ca 0.13 0.06 0.06 0.00 0.42 0.00 0.00 57.03 57.70 3ii5 h ASP 564 Cb 0.41 0.19 -0.05 0.00 1.72 0.00 0.00 39.33 41.60 3ii5 h ASP 564 CO 0.02 -0.28 0.15 0.22 -2.88 0.00 0.00 179.24 176.47 3ii5 h TYR 565 N -0.39 0.27 -0.84 0.28 3.20 -0.25 -0.26 116.97 118.98 3ii5 h TYR 565 Ca 0.02 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.91 3ii5 h TYR 565 Cb 0.39 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.57 3ii5 h TYR 565 CO -0.17 0.09 0.54 -0.07 -1.64 0.00 0.00 178.16 176.90 3ii5 h LEU 566 N 0.32 0.98 -0.30 2.82 3.38 -0.55 -1.65 115.31 120.31 3ii5 h LEU 566 Ca 0.22 -0.04 -0.18 0.00 0.09 0.00 0.00 57.88 57.97 3ii5 h LEU 566 Cb 0.23 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 3ii5 h LEU 566 CO -0.23 0.73 -0.51 0.45 0.09 0.00 0.00 178.44 178.96 3ii5 h HIS 567 N 1.14 1.10 0.00 1.13 3.86 -0.98 0.41 115.15 121.82 3ii5 h HIS 567 Ca 0.30 -0.38 -0.00 0.00 -1.16 0.00 0.00 60.37 59.13 3ii5 h HIS 567 Cb -0.10 -0.21 -0.00 0.00 1.06 0.00 0.00 27.41 28.16 3ii5 h HIS 567 CO -0.01 1.21 -0.02 0.00 0.86 0.00 0.00 177.93 179.98 3ii5 h ALA 568 N 0.69 1.58 -0.59 2.45 0.00 -0.63 0.35 119.26 123.11 3ii5 h ALA 568 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ii5 h ALA 568 Cb 1.12 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3ii5 h ALA 568 CO 0.12 0.03 0.00 1.17 0.00 0.00 0.00 179.25 180.56 3ii5 n LYS 569 N -3.95 2.89 -3.17 0.00 3.00 -0.66 -4.93 118.16 111.34 3ii5 n LYS 569 Ca -0.03 -2.34 -0.18 0.00 -0.00 0.00 0.00 58.31 55.76 3ii5 n LYS 569 Cb 0.11 -1.64 0.05 0.00 0.00 0.00 0.00 35.03 33.54 3ii5 n LYS 569 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 3ii5 n SER 570 N 1.13 -5.23 -4.16 3.14 7.64 0.12 -5.01 113.62 111.25 3ii5 n SER 570 Ca 0.21 -0.35 -0.34 0.00 1.01 0.00 0.00 58.87 59.41 3ii5 n SER 570 Cb 0.65 -3.91 -0.15 0.00 -1.01 0.00 0.00 64.21 59.80 3ii5 n SER 570 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3ii5 s ILE 571 N -3.17 2.52 -0.34 0.44 1.01 0.14 -4.99 121.20 116.82 3ii5 s ILE 571 Ca 0.38 -1.05 -0.15 0.00 0.00 0.00 0.00 60.65 59.82 3ii5 s ILE 571 Cb -0.17 -2.23 -0.01 0.00 0.01 0.00 0.00 42.46 40.06 3ii5 s ILE 571 CO 0.47 0.30 0.38 -0.63 0.00 0.00 0.00 174.94 175.46 3ii5 s ILE 572 N 1.29 5.15 0.07 2.92 1.01 -1.26 -3.63 121.20 126.74 3ii5 s ILE 572 Ca 0.01 0.13 -0.31 0.00 0.00 0.00 0.00 60.65 60.48 3ii5 s ILE 572 Cb -0.16 -3.83 -0.18 0.00 0.01 0.00 0.00 42.46 38.30 3ii5 s ILE 572 CO -0.07 -0.08 1.59 -0.74 0.00 0.00 0.00 174.94 175.63 3ii5 h HIS 573 N 8.44 -0.74 0.00 3.97 -0.00 -1.95 -3.47 115.15 121.40 3ii5 h HIS 573 Ca -0.30 -0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.06 3ii5 h HIS 573 Cb 1.14 0.24 0.00 0.00 -0.00 0.00 0.00 27.41 28.80 3ii5 h HIS 573 CO 0.70 -0.45 0.00 0.54 -0.00 0.00 0.00 177.93 178.73 3ii5 n ARG 574 N -5.42 0.00 -2.43 5.26 1.74 -1.26 -4.77 116.66 109.78 3ii5 n ARG 574 Ca -0.13 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 56.94 3ii5 n ARG 574 Cb 0.33 -1.47 0.08 0.00 -1.02 0.00 0.00 32.46 30.38 3ii5 n ARG 574 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3ii5 n ASP 575 N 0.00 -0.42 -4.77 0.55 2.03 -1.26 -5.09 116.55 107.59 3ii5 n ASP 575 Ca 0.00 -2.12 -0.41 0.00 0.52 0.00 0.00 54.79 52.78 3ii5 n ASP 575 Cb 0.00 0.26 -0.00 0.00 -0.72 0.00 0.00 41.12 40.65 3ii5 n ASP 575 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3ii5 s LEU 576 N -3.25 4.32 0.00 -2.67 2.96 -1.26 -4.83 118.68 113.95 3ii5 s LEU 576 Ca 0.14 2.92 0.00 0.00 -0.22 0.00 0.00 54.13 56.97 3ii5 s LEU 576 Cb 0.35 -3.71 0.00 0.00 0.50 0.00 0.00 46.19 43.34 3ii5 s LEU 576 CO -0.09 -0.82 0.00 2.29 -1.32 0.00 0.00 176.35 176.41 3ii5 n LYS 577 N 0.46 0.00 0.15 1.98 2.85 -1.26 -4.84 118.16 117.49 3ii5 n LYS 577 Ca 0.01 0.00 0.19 0.00 -1.05 0.00 0.00 58.31 57.46 3ii5 n LYS 577 Cb 0.40 0.00 0.79 0.00 -0.65 0.00 0.00 35.03 35.57 3ii5 n LYS 577 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3ii5 h SER 578 N 0.00 0.00 -0.50 -5.58 4.64 -1.93 0.18 113.55 110.35 3ii5 h SER 578 Ca 0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 3ii5 h SER 578 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 3ii5 h SER 578 CO 0.00 0.00 0.14 0.78 -0.87 0.00 0.00 176.83 176.88 3ii5 h ASN 579 N 0.00 0.79 -0.44 4.97 4.21 -1.95 -2.18 115.58 120.98 3ii5 h ASN 579 Ca 0.14 -0.14 -0.05 0.00 1.21 0.00 0.00 56.30 57.46 3ii5 h ASN 579 Cb 0.78 -0.21 -0.03 0.00 -1.12 0.00 0.00 38.32 37.75 3ii5 h ASN 579 CO -0.00 0.77 0.06 0.59 -1.29 0.00 0.00 177.43 177.56 3ii5 n ASN 580 N -4.28 4.19 -3.99 5.81 3.02 0.62 -4.72 115.26 115.91 3ii5 n ASN 580 Ca 0.04 -2.71 -0.31 0.00 -0.03 0.00 0.00 54.58 51.57 3ii5 n ASN 580 Cb 0.22 -0.64 -0.15 0.00 -0.61 0.00 0.00 39.78 38.60 3ii5 n ASN 580 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3ii5 s ILE 581 N -2.23 1.85 -0.07 2.41 1.01 -1.14 -2.09 121.20 120.94 3ii5 s ILE 581 Ca 0.38 -1.54 -0.16 0.00 0.00 0.00 0.00 60.65 59.33 3ii5 s ILE 581 Cb 0.29 -2.10 -0.05 0.00 0.01 0.00 0.00 42.46 40.62 3ii5 s ILE 581 CO 0.11 -0.16 0.41 0.12 0.00 0.00 0.00 174.94 175.42 3ii5 s PHE 582 N 1.22 3.61 -1.06 3.97 5.36 0.12 -0.26 117.98 130.94 3ii5 s PHE 582 Ca -0.04 0.89 -0.14 0.00 -0.96 0.00 0.00 56.93 56.67 3ii5 s PHE 582 Cb -0.19 -2.39 0.19 0.00 -0.34 0.00 0.00 43.02 40.29 3ii5 s PHE 582 CO -0.07 0.41 1.19 -0.51 -1.46 0.00 0.00 175.22 174.78 3ii5 s LEU 583 N -0.21 5.58 -0.14 6.12 1.43 -0.65 -0.42 118.68 130.39 3ii5 s LEU 583 Ca 0.23 -2.83 -0.29 0.00 -1.03 0.00 0.00 54.13 50.21 3ii5 s LEU 583 Cb -0.15 -2.33 -0.06 0.00 0.03 0.00 0.00 46.19 43.67 3ii5 s LEU 583 CO 0.11 -0.71 2.12 -2.28 0.23 0.00 0.00 176.35 175.82 3ii5 s HIS 584 N 1.05 1.22 -1.42 0.29 5.65 0.69 -1.66 115.29 121.12 3ii5 s HIS 584 Ca 0.34 0.21 -0.08 0.00 0.25 0.00 0.00 55.06 55.78 3ii5 s HIS 584 Cb -0.06 -4.04 0.05 0.00 -1.18 0.00 0.00 32.58 27.35 3ii5 s HIS 584 CO -0.05 -4.54 0.60 0.39 -0.65 0.00 0.00 174.74 170.49 3ii5 n GLU 585 N 8.34 -4.32 -2.95 2.88 1.02 0.24 -1.71 120.64 124.16 3ii5 n GLU 585 Ca 0.26 0.67 -0.20 0.00 -0.02 0.00 0.00 57.16 57.87 3ii5 n GLU 585 Cb 0.44 -5.46 0.01 0.00 -0.02 0.00 0.00 31.44 26.40 3ii5 n GLU 585 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3ii5 n ASP 586 N -2.45 -4.83 0.17 1.62 9.92 -0.67 -4.73 116.55 115.58 3ii5 n ASP 586 Ca -0.05 -0.19 0.00 0.00 -0.53 0.00 0.00 54.79 54.02 3ii5 n ASP 586 Cb 0.57 -3.98 0.00 0.00 -0.64 0.00 0.00 41.12 37.08 3ii5 n ASP 586 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 3ii5 n LEU 587 N -3.57 -1.01 -4.64 0.64 7.94 -0.69 -5.10 117.00 110.57 3ii5 n LEU 587 Ca -0.10 0.59 -0.38 0.00 -1.11 0.00 0.00 56.01 55.00 3ii5 n LEU 587 Cb 0.60 1.14 -0.08 0.00 0.53 0.00 0.00 43.42 45.61 3ii5 n LEU 587 CO 0.40 -0.58 0.08 -0.89 -1.11 0.00 0.00 177.39 175.29 3ii5 s THR 588 N -2.00 5.19 0.03 1.96 2.01 -0.85 -4.88 115.64 117.10 3ii5 s THR 588 Ca 0.00 0.63 -0.30 0.00 0.31 0.00 0.00 61.69 62.33 3ii5 s THR 588 Cb 0.00 -3.71 -0.06 0.00 0.01 0.00 0.00 72.50 68.74 3ii5 s THR 588 CO 0.00 0.21 1.32 -0.69 -0.69 0.00 0.00 174.62 174.77 3ii5 s VAL 589 N 1.63 3.79 -0.22 3.82 1.01 -1.26 -0.22 120.40 128.96 3ii5 s VAL 589 Ca 0.17 1.23 0.02 0.00 0.00 0.00 0.00 61.98 63.39 3ii5 s VAL 589 Cb -0.15 -3.79 0.04 0.00 0.00 0.00 0.00 36.38 32.48 3ii5 s VAL 589 CO 0.08 0.04 -0.15 -0.54 0.00 0.00 0.00 175.10 174.53 3ii5 s LYS 590 N 1.78 2.64 0.14 2.72 -0.14 0.44 -4.18 119.74 123.16 3ii5 s LYS 590 Ca 0.61 -1.07 -0.22 0.00 -1.36 0.00 0.00 55.97 53.93 3ii5 s LYS 590 Cb -0.31 -2.73 -0.08 0.00 -1.68 0.00 0.00 37.83 33.03 3ii5 s LYS 590 CO 0.27 -0.38 0.69 0.42 -0.76 0.00 0.00 175.35 175.59 3ii5 s ILE 591 N 1.21 4.53 0.00 2.17 1.01 0.46 -0.70 121.20 129.87 3ii5 s ILE 591 Ca -0.02 1.47 0.00 0.00 0.00 0.00 0.00 60.65 62.10 3ii5 s ILE 591 Cb -0.16 -4.01 0.00 0.00 0.01 0.00 0.00 42.46 38.29 3ii5 s ILE 591 CO -0.09 0.49 0.00 0.61 0.00 0.00 0.00 174.94 175.95 3ii5 n GLY 592 N 1.52 2.80 2.83 6.18 0.00 -0.89 -0.37 105.19 117.26 3ii5 n GLY 592 Ca -0.07 -1.07 -0.30 0.00 0.00 0.00 0.00 46.02 44.58 3ii5 n GLY 592 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ii5 s ASP 593 N -0.06 4.28 -0.09 1.61 -1.08 -1.26 -4.77 116.67 115.30 3ii5 s ASP 593 Ca 0.00 -1.87 0.18 0.00 -0.52 0.00 0.00 52.55 50.34 3ii5 s ASP 593 Cb 0.00 -1.14 0.67 0.00 -1.46 0.00 0.00 42.92 40.98 3ii5 s ASP 593 CO 0.00 -0.40 1.56 0.49 0.52 0.00 0.00 175.17 177.35 3ii5 n PHE 594 N 4.58 1.31 -2.70 -5.34 0.99 -1.26 -4.92 117.46 110.12 3ii5 n PHE 594 Ca 0.01 -0.54 -0.42 0.00 -0.00 0.00 0.00 57.45 56.50 3ii5 n PHE 594 Cb 0.42 -0.19 -0.03 0.00 -1.00 0.00 0.00 39.48 38.67 3ii5 n PHE 594 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 3ii5 s GLY 595 N -0.89 2.92 -0.27 1.37 0.00 -1.26 -4.94 107.32 104.26 3ii5 s GLY 595 Ca 0.48 0.57 0.13 0.00 0.00 0.00 0.00 44.72 45.89 3ii5 s GLY 595 CO 0.25 1.63 1.75 1.04 0.00 0.00 0.00 173.10 177.77 3ii5 n LEU 596 N 3.51 5.76 0.00 0.66 4.77 -1.26 -4.72 117.00 125.72 3ii5 n LEU 596 Ca 0.05 -3.05 0.00 0.00 -0.03 0.00 0.00 56.01 52.98 3ii5 n LEU 596 Cb 0.50 -0.70 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 3ii5 n LEU 596 CO 0.52 0.70 0.00 0.00 -1.33 0.00 0.00 177.39 177.28 3ii5 n ALA 597 N 0.28 1.62 -1.52 -1.18 0.00 -1.26 -2.14 120.51 116.32 3ii5 n ALA 597 Ca 0.32 0.00 -0.53 0.00 0.00 0.00 0.00 53.44 53.23 3ii5 n ALA 597 Cb 1.25 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.64 3ii5 n ALA 597 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3ii5 n THR 598 N -0.97 0.60 -0.50 0.00 -2.24 -1.26 -4.70 114.28 105.21 3ii5 n THR 598 Ca 0.00 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 3ii5 n THR 598 Cb 0.00 -0.34 0.00 0.00 -2.10 0.00 0.00 70.33 67.89 3ii5 n THR 598 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3ii5 n VAL 599 N 1.37 0.00 -0.09 2.28 0.31 -1.26 -4.96 118.33 115.98 3ii5 n VAL 599 Ca 0.18 -0.13 -0.16 0.00 -0.01 0.00 0.00 64.34 64.22 3ii5 n VAL 599 Cb 0.17 1.50 -0.08 0.00 -0.91 0.00 0.00 33.84 34.52 3ii5 n VAL 599 CO 0.00 0.00 0.00 0.06 -1.32 0.00 0.00 176.83 175.57 3ii5 h GLN 611 N 0.00 0.00 0.00 5.55 -0.00 -2.06 -3.53 115.11 115.06 3ii5 h GLN 611 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 3ii5 h GLN 611 Cb 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.73 3ii5 h GLN 611 CO 0.00 0.68 0.00 1.28 -0.00 0.00 0.00 178.83 180.79 3ii5 n LEU 612 N -4.50 0.00 0.00 0.06 4.77 -1.26 -4.02 117.00 112.05 3ii5 n LEU 612 Ca -0.23 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 3ii5 n LEU 612 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 3ii5 n LEU 612 CO 0.16 0.00 0.00 -0.24 -1.33 0.00 0.00 177.39 175.98 3ii5 n SER 613 N 6.43 0.00 0.00 -1.43 2.88 -1.26 -5.07 113.62 115.17 3ii5 n SER 613 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3ii5 n SER 613 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3ii5 n SER 613 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3ii5 n GLY 614 N 4.28 3.17 3.50 0.46 0.00 -1.26 -4.97 105.19 110.37 3ii5 n GLY 614 Ca 0.00 -1.48 -0.40 0.00 0.00 0.00 0.00 46.02 44.15 3ii5 n GLY 614 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ii5 s SER 615 N 0.00 5.87 0.00 1.61 0.15 -1.26 -4.95 113.70 115.13 3ii5 s SER 615 Ca 0.00 -0.45 0.29 0.00 0.70 0.00 0.00 55.95 56.49 3ii5 s SER 615 Cb 0.00 -2.09 1.23 0.00 -1.71 0.00 0.00 66.02 63.45 3ii5 s SER 615 CO 0.00 -0.22 1.87 2.30 1.20 0.00 0.00 173.24 178.39 3ii5 n ILE 616 N 5.06 0.00 0.22 6.45 -5.35 -1.26 -3.74 119.36 120.74 3ii5 n ILE 616 Ca -0.13 -0.04 0.05 0.00 -0.27 0.00 0.00 62.75 62.36 3ii5 n ILE 616 Cb 0.50 -0.17 0.49 0.00 -1.74 0.00 0.00 39.64 38.72 3ii5 n ILE 616 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 3ii5 h LEU 617 N 0.40 0.01 -1.93 7.28 3.38 -1.97 -2.47 115.31 120.01 3ii5 h LEU 617 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ii5 h LEU 617 Cb 0.36 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3ii5 h LEU 617 CO 0.00 0.19 0.00 0.79 0.09 0.00 0.00 178.44 179.51 3ii5 n TRP 618 N -4.32 0.01 -2.80 1.13 8.01 -1.25 -4.94 117.44 113.29 3ii5 n TRP 618 Ca -0.02 -0.00 -0.42 0.00 -1.31 0.00 0.00 57.50 55.75 3ii5 n TRP 618 Cb 0.25 -0.00 -0.03 0.00 -2.01 0.00 0.00 31.31 29.51 3ii5 n TRP 618 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.69 178.09 3ii5 s MET 619 N -1.99 4.42 0.49 -0.99 1.75 -0.93 -3.32 119.30 118.73 3ii5 s MET 619 Ca 0.28 1.22 -0.21 0.00 -1.25 0.00 0.00 55.69 55.74 3ii5 s MET 619 Cb 0.20 -3.52 -0.07 0.00 2.84 0.00 0.00 34.83 34.28 3ii5 s MET 619 CO 0.30 -0.20 1.10 0.00 -0.65 0.00 0.00 175.02 175.57 3ii5 s ALA 620 N 1.65 2.85 0.33 4.11 0.00 -1.26 -4.77 121.76 124.67 3ii5 s ALA 620 Ca 0.45 0.77 0.07 0.00 0.00 0.00 0.00 51.96 53.25 3ii5 s ALA 620 Cb -0.18 -3.32 0.92 0.00 0.00 0.00 0.00 23.12 20.53 3ii5 s ALA 620 CO 0.19 -0.55 1.57 -1.35 0.00 0.00 0.00 175.76 175.62 3ii5 h PRO 621 N 1.65 0.01 0.00 0.00 0.11 -1.86 0.24 132.00 132.15 3ii5 h PRO 621 Ca -0.50 -0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.53 3ii5 h PRO 621 Cb 1.24 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 3ii5 h PRO 621 CO 0.59 0.00 -0.42 1.05 -0.21 0.00 0.00 178.00 179.01 3ii5 h GLU 622 N 0.01 0.00 0.02 1.05 9.09 -1.92 -1.79 114.58 121.04 3ii5 h GLU 622 Ca 0.67 0.00 -0.19 0.00 0.05 0.00 0.00 59.36 59.89 3ii5 h GLU 622 Cb 1.52 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 28.63 3ii5 h GLU 622 CO -0.88 0.42 -0.75 0.28 0.05 0.00 0.00 179.01 178.13 3ii5 h VAL 623 N 0.00 1.40 -0.21 -1.06 2.07 -0.85 -2.88 116.25 114.72 3ii5 h VAL 623 Ca -0.00 -2.17 0.06 0.00 0.82 0.00 0.00 66.70 65.40 3ii5 h VAL 623 Cb 0.75 2.61 -0.01 0.00 -1.52 0.00 0.00 31.29 33.12 3ii5 h VAL 623 CO 0.05 0.64 0.23 0.40 0.02 0.00 0.00 177.57 178.92 3ii5 h ILE 624 N -0.00 0.45 -0.01 4.57 1.08 -1.04 -2.96 117.51 119.59 3ii5 h ILE 624 Ca -0.10 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.37 3ii5 h ILE 624 Cb 1.46 0.81 0.00 0.00 -3.07 0.00 0.00 36.82 36.02 3ii5 h ILE 624 CO 0.15 0.00 -0.65 0.54 -0.69 0.00 0.00 178.15 177.50 3ii5 n ARG 625 N -3.77 0.83 -3.84 2.37 1.74 -0.69 -4.93 116.66 108.37 3ii5 n ARG 625 Ca 0.02 -0.68 -0.26 0.00 -0.77 0.00 0.00 57.85 56.16 3ii5 n ARG 625 Cb 0.36 -1.48 -0.02 0.00 -1.02 0.00 0.00 32.46 30.30 3ii5 n ARG 625 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 3ii5 n MET 626 N -0.50 -0.68 -4.09 5.56 2.81 -1.10 -4.96 117.12 114.16 3ii5 n MET 626 Ca 0.07 -0.08 -0.35 0.00 -1.81 0.00 0.00 57.70 55.54 3ii5 n MET 626 Cb 0.42 -1.61 -0.10 0.00 -0.71 0.00 0.00 33.22 31.22 3ii5 n MET 626 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 3ii5 s GLN 627 N -6.29 3.80 0.00 0.03 1.11 -1.26 -4.92 119.66 112.14 3ii5 s GLN 627 Ca 0.19 -0.36 0.00 0.00 0.01 0.00 0.00 55.36 55.21 3ii5 s GLN 627 Cb -0.11 -3.13 0.00 0.00 -1.01 0.00 0.00 33.01 28.76 3ii5 s GLN 627 CO 0.63 0.35 0.00 -0.25 0.01 0.00 0.00 175.29 176.03 3ii5 n ASP 628 N 3.28 -0.35 -0.17 5.90 8.00 -1.26 -4.58 116.55 127.38 3ii5 n ASP 628 Ca -0.17 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.24 3ii5 n ASP 628 Cb 0.53 0.77 0.00 0.00 -0.02 0.00 0.00 41.12 42.40 3ii5 n ASP 628 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 3ii5 h LYS 629 N 0.00 0.79 -4.21 -1.24 1.57 -2.03 -3.38 116.57 108.06 3ii5 h LYS 629 Ca 0.00 -0.21 -0.68 0.00 -1.87 0.00 0.00 60.65 57.89 3ii5 h LYS 629 Cb 0.00 -0.09 -0.37 0.00 0.08 0.00 0.00 32.23 31.85 3ii5 h LYS 629 CO 0.00 0.79 -0.55 1.21 -0.57 0.00 0.00 179.45 180.33 3ii5 s ASN 630 N -6.18 5.05 0.03 0.86 3.84 -1.26 -4.89 114.94 112.39 3ii5 s ASN 630 Ca -0.13 -2.35 0.26 0.00 0.21 0.00 0.00 52.86 50.85 3ii5 s ASN 630 Cb 0.11 -1.77 0.60 0.00 -0.55 0.00 0.00 41.25 39.64 3ii5 s ASN 630 CO 0.80 -0.44 1.49 -2.65 -2.79 0.00 0.00 177.10 173.51 3ii5 n PRO 631 N 4.12 0.07 -2.59 0.43 -0.02 -1.26 -4.93 135.00 130.81 3ii5 n PRO 631 Ca 0.02 0.02 -0.40 0.00 -2.02 0.00 0.00 63.50 61.13 3ii5 n PRO 631 Cb 0.40 -1.54 -0.05 0.00 -0.02 0.00 0.00 33.50 32.28 3ii5 n PRO 631 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 3ii5 s TYR 632 N -3.04 3.70 0.31 6.00 1.51 -1.26 -4.69 117.35 119.87 3ii5 s TYR 632 Ca 0.11 1.78 -0.11 0.00 -1.01 0.00 0.00 57.07 57.83 3ii5 s TYR 632 Cb 0.17 -3.15 0.05 0.00 -0.11 0.00 0.00 41.96 38.92 3ii5 s TYR 632 CO 0.67 -0.17 0.61 -1.13 -1.11 0.00 0.00 175.55 174.43 3ii5 n SER 633 N 1.14 -1.78 0.10 2.29 3.41 -1.26 -4.98 113.62 112.54 3ii5 n SER 633 Ca -0.01 -2.24 -0.00 0.00 -0.26 0.00 0.00 58.87 56.36 3ii5 n SER 633 Cb 0.46 2.97 0.29 0.00 -0.26 0.00 0.00 64.21 67.67 3ii5 n SER 633 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 3ii5 h PHE 634 N 1.77 0.29 -0.08 7.33 0.04 -1.98 -2.59 116.94 121.71 3ii5 h PHE 634 Ca -0.26 -0.06 -0.18 0.00 2.80 0.00 0.00 57.97 60.27 3ii5 h PHE 634 Cb 0.96 -0.07 -0.00 0.00 2.20 0.00 0.00 35.95 39.03 3ii5 h PHE 634 CO 0.00 0.52 -0.72 1.96 -0.60 0.00 0.00 178.31 179.47 3ii5 h GLN 635 N 0.23 0.42 -0.62 1.51 7.50 -1.91 -0.26 115.11 121.97 3ii5 h GLN 635 Ca 0.03 -0.34 -0.01 0.00 0.50 0.00 0.00 58.65 58.83 3ii5 h GLN 635 Cb 0.62 0.07 -0.03 0.00 0.05 0.00 0.00 27.48 28.19 3ii5 h GLN 635 CO 0.05 0.98 0.34 0.66 -1.50 0.00 0.00 178.83 179.35 3ii5 h SER 636 N 0.29 0.76 -0.10 1.46 4.64 -1.83 0.38 113.55 119.15 3ii5 h SER 636 Ca -0.03 -0.06 -0.11 0.00 -0.47 0.00 0.00 61.79 61.12 3ii5 h SER 636 Cb 1.30 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 63.18 3ii5 h SER 636 CO 0.13 0.62 -0.29 0.44 -0.87 0.00 0.00 176.83 176.85 3ii5 h ASP 637 N 0.87 0.58 0.47 4.97 3.32 -1.23 -2.46 116.42 122.94 3ii5 h ASP 637 Ca 0.22 -0.22 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 3ii5 h ASP 637 Cb 0.02 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.41 3ii5 h ASP 637 CO -0.04 0.85 -0.16 0.58 -1.72 0.00 0.00 179.24 178.75 3ii5 h VAL 638 N 0.49 0.63 0.00 -1.35 2.07 0.51 -1.95 116.25 116.65 3ii5 h VAL 638 Ca 0.06 -0.71 -0.07 0.00 0.82 0.00 0.00 66.70 66.81 3ii5 h VAL 638 Cb 0.76 1.45 0.01 0.00 -1.52 0.00 0.00 31.29 31.98 3ii5 h VAL 638 CO 0.06 0.16 -0.27 0.22 0.02 0.00 0.00 177.57 177.76 3ii5 h TYR 639 N 0.00 0.26 -0.78 1.57 3.20 -0.55 -1.56 116.97 119.11 3ii5 h TYR 639 Ca -0.00 -0.14 0.12 0.00 3.14 0.00 0.00 58.73 61.84 3ii5 h TYR 639 Cb 0.44 -0.03 -0.08 0.00 1.54 0.00 0.00 36.73 38.60 3ii5 h TYR 639 CO 0.00 0.96 0.39 0.00 -1.64 0.00 0.00 178.16 177.87 3ii5 h ALA 640 N 0.24 1.12 -0.45 1.82 0.00 -1.30 0.93 119.26 121.61 3ii5 h ALA 640 Ca -0.03 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3ii5 h ALA 640 Cb 1.03 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 3ii5 h ALA 640 CO 0.05 -0.06 0.13 0.35 0.00 0.00 0.00 179.25 179.71 3ii5 h PHE 641 N 0.61 0.68 -0.76 0.00 3.57 -1.36 -1.02 116.94 118.67 3ii5 h PHE 641 Ca 0.40 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.84 3ii5 h PHE 641 Cb 0.50 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 39.00 3ii5 h PHE 641 CO -0.10 0.57 0.42 0.78 -2.23 0.00 0.00 178.31 177.74 3ii5 h GLY 642 N 0.86 1.12 1.18 2.40 0.00 0.19 -0.33 103.07 108.49 3ii5 h GLY 642 Ca 0.15 -0.49 -0.15 0.00 0.00 0.00 0.00 47.33 46.84 3ii5 h GLY 642 CO -0.01 0.48 -0.32 -2.22 0.00 0.00 0.00 176.54 174.47 3ii5 h ILE 643 N 1.06 1.27 -0.49 2.60 1.08 -0.27 -2.32 117.51 120.44 3ii5 h ILE 643 Ca 0.27 -1.49 0.01 0.00 -0.39 0.00 0.00 64.86 63.27 3ii5 h ILE 643 Cb 0.02 1.29 -0.03 0.00 -3.07 0.00 0.00 36.82 35.04 3ii5 h ILE 643 CO -0.04 0.50 0.31 0.58 -0.69 0.00 0.00 178.15 178.80 3ii5 h VAL 644 N 0.77 1.09 -0.61 1.67 2.07 -0.48 -0.62 116.25 120.15 3ii5 h VAL 644 Ca 0.08 -0.21 0.11 0.00 0.82 0.00 0.00 66.70 67.49 3ii5 h VAL 644 Cb 0.90 0.41 -0.08 0.00 -1.52 0.00 0.00 31.29 31.00 3ii5 h VAL 644 CO 0.08 0.11 0.18 -0.07 0.02 0.00 0.00 177.57 177.89 3ii5 h LEU 645 N 0.62 0.11 -0.30 2.57 3.38 -1.00 -0.93 115.31 119.77 3ii5 h LEU 645 Ca 0.19 0.10 0.07 0.00 0.09 0.00 0.00 57.88 58.32 3ii5 h LEU 645 Cb -0.03 0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.76 3ii5 h LEU 645 CO -0.06 0.07 -0.12 0.22 0.09 0.00 0.00 178.44 178.63 3ii5 h TYR 646 N 0.33 -0.29 -0.92 1.13 3.20 -0.62 -0.18 116.97 119.62 3ii5 h TYR 646 Ca 0.31 0.03 0.05 0.00 3.14 0.00 0.00 58.73 62.27 3ii5 h TYR 646 Cb 0.43 0.18 -0.06 0.00 1.54 0.00 0.00 36.73 38.82 3ii5 h TYR 646 CO -0.21 -0.19 0.59 0.93 -1.64 0.00 0.00 178.16 177.64 3ii5 h GLU 647 N -0.07 1.06 -0.62 1.82 5.08 -0.36 -1.43 114.58 120.06 3ii5 h GLU 647 Ca 0.15 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.37 3ii5 h GLU 647 Cb 0.30 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 3ii5 h GLU 647 CO -0.35 0.70 0.08 -0.07 -1.00 0.00 0.00 179.01 178.38 3ii5 h LEU 648 N 1.10 1.00 -0.57 1.33 3.38 -0.28 0.33 115.31 121.59 3ii5 h LEU 648 Ca 0.38 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3ii5 h LEU 648 Cb 0.10 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.58 3ii5 h LEU 648 CO -0.15 1.02 -0.26 0.23 0.09 0.00 0.00 178.44 179.36 3ii5 n MET 649 N -4.26 0.92 0.00 1.13 2.81 -0.16 -4.13 117.12 113.43 3ii5 n MET 649 Ca 0.03 -0.57 0.00 0.00 -1.81 0.00 0.00 57.70 55.35 3ii5 n MET 649 Cb 0.29 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.32 3ii5 n MET 649 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 3ii5 n THR 650 N -0.54 0.00 -0.86 2.03 -2.24 -0.59 -1.49 114.28 110.59 3ii5 n THR 650 Ca 0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 3ii5 n THR 650 Cb 0.36 -0.44 0.00 0.00 -2.10 0.00 0.00 70.33 68.15 3ii5 n THR 650 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ii5 n GLY 651 N 2.11 0.57 3.33 3.38 0.00 0.12 -4.93 105.19 109.76 3ii5 n GLY 651 Ca 0.00 -0.03 -0.18 0.00 0.00 0.00 0.00 46.02 45.81 3ii5 n GLY 651 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ii5 s GLN 652 N -0.19 1.29 0.15 1.61 -0.21 -1.23 -4.69 119.66 116.38 3ii5 s GLN 652 Ca 0.00 -1.58 -0.17 0.00 0.02 0.00 0.00 55.36 53.63 3ii5 s GLN 652 Cb 0.00 -0.99 -0.07 0.00 1.00 0.00 0.00 33.01 32.95 3ii5 s GLN 652 CO 0.00 0.14 0.61 -0.51 -2.12 0.00 0.00 175.29 173.41 3ii5 s LEU 653 N -3.29 4.39 0.49 2.90 1.43 -1.26 -4.01 118.68 119.33 3ii5 s LEU 653 Ca 0.22 1.23 -0.24 0.00 -1.03 0.00 0.00 54.13 54.32 3ii5 s LEU 653 Cb 0.01 -3.27 -0.07 0.00 0.03 0.00 0.00 46.19 42.89 3ii5 s LEU 653 CO 0.06 0.13 1.38 -2.16 0.23 0.00 0.00 176.35 175.99 3ii5 s PRO 654 N -1.73 3.44 -1.30 1.29 0.04 -1.26 -3.40 135.00 132.08 3ii5 s PRO 654 Ca 0.37 2.30 -0.07 0.00 0.04 0.00 0.00 61.00 63.64 3ii5 s PRO 654 Cb -0.17 -2.46 0.01 0.00 0.04 0.00 0.00 34.50 31.92 3ii5 s PRO 654 CO 0.20 -0.97 0.94 0.66 0.04 0.00 0.00 177.00 177.86 3ii5 n TYR 655 N -0.58 -2.42 0.15 0.56 4.01 -1.26 -4.88 117.16 112.75 3ii5 n TYR 655 Ca 0.08 0.81 0.15 0.00 -0.16 0.00 0.00 57.90 58.77 3ii5 n TYR 655 Cb 0.44 -4.58 0.71 0.00 -0.31 0.00 0.00 39.34 35.60 3ii5 n TYR 655 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3ii5 h SER 656 N -2.15 0.00 -0.32 7.72 4.64 -2.00 -2.61 113.55 118.83 3ii5 h SER 656 Ca -0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 3ii5 h SER 656 Cb 1.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 3ii5 h SER 656 CO 0.52 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.02 3ii5 n ASN 657 N -4.31 2.38 -4.33 4.97 6.94 -1.26 -4.78 115.26 114.87 3ii5 n ASN 657 Ca 0.03 -1.88 -0.34 0.00 -0.02 0.00 0.00 54.58 52.37 3ii5 n ASN 657 Cb 0.33 -0.21 -0.14 0.00 -2.36 0.00 0.00 39.78 37.40 3ii5 n ASN 657 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3ii5 s ILE 658 N -1.58 3.29 -0.87 1.53 1.01 -0.99 -5.01 121.20 118.58 3ii5 s ILE 658 Ca 0.34 -0.54 0.17 0.00 0.00 0.00 0.00 60.65 60.61 3ii5 s ILE 658 Cb 0.18 -2.46 0.63 0.00 0.01 0.00 0.00 42.46 40.82 3ii5 s ILE 658 CO 0.26 0.46 1.54 -0.46 0.00 0.00 0.00 174.94 176.74 3ii5 n ASN 659 N 4.39 4.39 -3.96 3.58 0.23 -1.26 -4.88 115.26 117.76 3ii5 n ASN 659 Ca -0.18 -2.51 -0.30 0.00 -0.53 0.00 0.00 54.58 51.05 3ii5 n ASN 659 Cb 0.51 -0.53 -0.16 0.00 -2.08 0.00 0.00 39.78 37.53 3ii5 n ASN 659 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 3ii5 s ASN 660 N -1.10 3.79 0.26 0.53 3.84 -1.26 -5.02 114.94 115.97 3ii5 s ASN 660 Ca 0.45 -1.13 -0.04 0.00 0.21 0.00 0.00 52.86 52.36 3ii5 s ASN 660 Cb 0.30 -1.21 0.31 0.00 -0.55 0.00 0.00 41.25 40.10 3ii5 s ASN 660 CO 0.20 -0.21 1.84 -0.09 -2.79 0.00 0.00 177.10 176.05 3ii5 h ARG 661 N 7.95 1.05 -0.30 0.43 2.43 -2.00 -2.38 114.38 121.56 3ii5 h ARG 661 Ca -0.20 -0.17 -0.06 0.00 -0.81 0.00 0.00 59.98 58.75 3ii5 h ARG 661 Cb 1.07 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 30.43 3ii5 h ARG 661 CO 0.43 0.84 -0.06 -0.44 -1.51 0.00 0.00 179.97 179.23 3ii5 h ASP 662 N 1.03 0.45 0.47 -3.80 3.32 -1.99 -2.10 116.42 113.80 3ii5 h ASP 662 Ca 0.24 -0.10 -0.21 0.00 0.02 0.00 0.00 57.03 56.99 3ii5 h ASP 662 Cb 0.16 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.59 3ii5 h ASP 662 CO -0.03 0.56 -0.92 1.56 -1.72 0.00 0.00 179.24 178.70 3ii5 h GLN 663 N 0.45 0.30 -0.41 3.56 1.08 -1.87 -1.04 115.11 117.18 3ii5 h GLN 663 Ca 0.09 -0.33 -0.03 0.00 -1.45 0.00 0.00 58.65 56.93 3ii5 h GLN 663 Cb 0.39 0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.89 3ii5 h GLN 663 CO 0.02 1.03 0.14 0.82 -0.95 0.00 0.00 178.83 179.88 3ii5 h ILE 664 N 0.17 1.21 0.44 2.54 2.04 -1.27 0.14 117.51 122.79 3ii5 h ILE 664 Ca -0.06 -0.70 -0.02 0.00 1.00 0.00 0.00 64.86 65.08 3ii5 h ILE 664 Cb 1.55 0.89 0.00 0.00 -0.74 0.00 0.00 36.82 38.53 3ii5 h ILE 664 CO 0.15 0.25 -0.21 0.40 0.00 0.00 0.00 178.15 178.74 3ii5 h ILE 665 N 0.52 0.56 -0.26 -0.67 2.04 -1.34 0.80 117.51 119.17 3ii5 h ILE 665 Ca 0.13 -0.11 0.05 0.00 1.00 0.00 0.00 64.86 65.94 3ii5 h ILE 665 Cb 0.25 0.62 -0.05 0.00 -0.74 0.00 0.00 36.82 36.89 3ii5 h ILE 665 CO -0.01 0.02 -0.09 0.15 0.00 0.00 0.00 178.15 178.23 3ii5 h PHE 666 N -0.66 -0.20 -0.22 1.37 3.57 -1.15 -2.14 116.94 117.51 3ii5 h PHE 666 Ca -0.06 0.03 -0.16 0.00 3.53 0.00 0.00 57.97 61.30 3ii5 h PHE 666 Cb 0.49 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.35 3ii5 h PHE 666 CO -0.03 -0.14 -0.52 0.52 -2.23 0.00 0.00 178.31 175.90 3ii5 h MET 667 N -0.04 0.62 -0.33 1.11 2.86 -0.61 -1.59 114.93 116.96 3ii5 h MET 667 Ca 0.13 -0.38 -0.08 0.00 -2.06 0.00 0.00 59.70 57.31 3ii5 h MET 667 Cb 0.23 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 3ii5 h MET 667 CO -0.29 0.99 -0.11 0.28 1.06 0.00 0.00 176.91 178.84 3ii5 h VAL 668 N 0.48 1.28 0.00 -2.22 2.07 -0.77 0.61 116.25 117.71 3ii5 h VAL 668 Ca 0.02 -1.20 -0.09 0.00 0.82 0.00 0.00 66.70 66.25 3ii5 h VAL 668 Cb 1.07 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 32.19 3ii5 h VAL 668 CO 0.10 0.39 -0.45 1.23 0.02 0.00 0.00 177.57 178.86 3ii5 h GLY 669 N 0.45 0.00 1.09 2.17 0.00 -1.34 -2.47 103.07 102.97 3ii5 h GLY 669 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 3ii5 h GLY 669 CO 0.04 0.00 -0.38 -2.13 0.00 0.00 0.00 176.54 174.07 3ii5 n ARG 670 N -3.76 0.10 -0.28 4.80 3.00 -0.60 -4.93 116.66 114.99 3ii5 n ARG 670 Ca -0.01 -0.05 0.00 0.00 -0.00 0.00 0.00 57.85 57.79 3ii5 n ARG 670 Cb 0.51 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.47 3ii5 n ARG 670 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3ii5 n GLY 671 N 1.48 0.71 0.21 5.14 0.00 -0.67 -4.94 105.19 107.12 3ii5 n GLY 671 Ca 0.07 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.18 3ii5 n GLY 671 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3ii5 h TYR 672 N 0.00 0.00 -4.43 1.61 0.05 -1.16 -3.45 116.97 109.59 3ii5 h TYR 672 Ca 0.00 0.00 -0.67 0.00 0.05 0.00 0.00 58.73 58.11 3ii5 h TYR 672 Cb 0.00 0.00 -0.28 0.00 1.01 0.00 0.00 36.73 37.46 3ii5 h TYR 672 CO 0.00 0.25 -0.87 -1.17 -1.05 0.00 0.00 178.16 175.32 3ii5 s LEU 673 N -6.81 2.10 -0.05 3.88 2.96 -1.00 -5.00 118.68 114.75 3ii5 s LEU 673 Ca 0.01 -0.49 -0.26 0.00 -0.22 0.00 0.00 54.13 53.16 3ii5 s LEU 673 Cb 0.10 -1.23 0.06 0.00 0.50 0.00 0.00 46.19 45.62 3ii5 s LEU 673 CO 0.65 0.27 0.58 -0.94 -1.32 0.00 0.00 176.35 175.59 3ii5 s SER 674 N -0.84 -0.54 0.28 3.68 1.04 -1.26 -4.54 113.70 111.52 3ii5 s SER 674 Ca 0.10 0.60 -0.27 0.00 0.48 0.00 0.00 55.95 56.86 3ii5 s SER 674 Cb -0.09 0.54 -0.15 0.00 0.10 0.00 0.00 66.02 66.42 3ii5 s SER 674 CO 0.00 -0.54 0.83 -2.65 0.98 0.00 0.00 173.24 171.86 3ii5 n PRO 675 N 1.14 0.90 -2.39 4.02 -0.02 -1.26 -4.82 135.00 132.56 3ii5 n PRO 675 Ca -0.19 0.32 -0.39 0.00 -2.02 0.00 0.00 63.50 61.22 3ii5 n PRO 675 Cb 0.57 -1.58 -0.03 0.00 -0.02 0.00 0.00 33.50 32.43 3ii5 n PRO 675 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3ii5 s ASP 676 N -0.72 5.95 0.20 2.55 2.15 -1.26 -4.85 116.67 120.69 3ii5 s ASP 676 Ca 0.61 -0.58 0.21 0.00 0.43 0.00 0.00 52.55 53.22 3ii5 s ASP 676 Cb -0.75 -2.56 0.89 0.00 -0.30 0.00 0.00 42.92 40.20 3ii5 s ASP 676 CO 0.59 -1.97 1.63 0.18 -0.17 0.00 0.00 175.17 175.43 3ii5 n LEU 677 N 10.45 0.50 0.00 -1.34 4.77 -1.26 -2.59 117.00 127.52 3ii5 n LEU 677 Ca 0.18 0.64 0.14 0.00 -0.03 0.00 0.00 56.01 56.94 3ii5 n LEU 677 Cb 0.50 -0.59 0.80 0.00 -2.33 0.00 0.00 43.42 41.80 3ii5 n LEU 677 CO 0.68 -0.54 1.00 -1.54 -1.33 0.00 0.00 177.39 175.66 3ii5 n SER 678 N -2.06 0.00 -0.68 -1.43 3.41 -1.26 -3.07 113.62 108.53 3ii5 n SER 678 Ca 0.02 -1.02 0.12 0.00 -0.26 0.00 0.00 58.87 57.73 3ii5 n SER 678 Cb 0.19 0.00 0.36 0.00 -0.26 0.00 0.00 64.21 64.50 3ii5 n SER 678 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3ii5 n LYS 679 N -0.95 1.91 -2.21 4.33 5.02 -1.07 -4.91 118.16 120.27 3ii5 n LYS 679 Ca 0.20 -1.35 -0.42 0.00 -2.02 0.00 0.00 58.31 54.73 3ii5 n LYS 679 Cb 0.09 -1.45 -0.03 0.00 -0.02 0.00 0.00 35.03 33.62 3ii5 n LYS 679 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3ii5 s VAL 680 N -1.85 3.37 0.59 -0.18 -7.23 -1.17 -4.57 120.40 109.36 3ii5 s VAL 680 Ca 0.34 1.01 -0.18 0.00 -1.81 0.00 0.00 61.98 61.35 3ii5 s VAL 680 Cb 0.20 -3.65 -0.07 0.00 0.56 0.00 0.00 36.38 33.42 3ii5 s VAL 680 CO 0.30 0.10 0.61 0.54 -0.31 0.00 0.00 175.10 176.34 3ii5 n ARG 681 N 3.62 0.56 -0.25 4.82 1.74 -0.56 -4.90 116.66 121.70 3ii5 n ARG 681 Ca 0.10 0.22 -0.07 0.00 -0.77 0.00 0.00 57.85 57.33 3ii5 n ARG 681 Cb 0.43 -1.81 0.04 0.00 -1.02 0.00 0.00 32.46 30.10 3ii5 n ARG 681 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3ii5 h SER 682 N 0.21 0.96 0.00 0.55 4.64 -1.93 -2.55 113.55 115.44 3ii5 h SER 682 Ca -0.46 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 60.67 3ii5 h SER 682 Cb 1.39 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 3ii5 h SER 682 CO 0.47 0.89 0.00 -0.46 -0.87 0.00 0.00 176.83 176.87 3ii5 n ASN 683 N -4.36 0.00 -4.66 4.97 6.94 -1.26 -4.71 115.26 112.18 3ii5 n ASN 683 Ca 0.05 -0.69 -0.43 0.00 -0.02 0.00 0.00 54.58 53.50 3ii5 n ASN 683 Cb 0.20 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.59 3ii5 n ASN 683 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3ii5 n PRO 685 N 6.00 2.68 -0.27 0.00 -0.02 -1.26 -4.86 135.00 137.28 3ii5 n PRO 685 Ca 0.10 0.95 0.06 0.00 -2.02 0.00 0.00 63.50 62.58 3ii5 n PRO 685 Cb 0.47 -2.70 0.20 0.00 -0.02 0.00 0.00 33.50 31.45 3ii5 n PRO 685 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3ii5 h LYS 686 N 3.77 0.49 -0.53 -0.52 1.57 -1.95 0.27 116.57 119.67 3ii5 h LYS 686 Ca -0.49 -0.03 0.11 0.00 -1.87 0.00 0.00 60.65 58.37 3ii5 h LYS 686 Cb 1.23 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 33.40 3ii5 h LYS 686 CO 0.71 0.33 0.37 0.00 -0.57 0.00 0.00 179.45 180.28 3ii5 h ALA 687 N 1.55 2.18 0.05 3.86 0.00 -1.99 -1.56 119.26 123.35 3ii5 h ALA 687 Ca 0.43 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.33 3ii5 h ALA 687 Cb 0.64 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3ii5 h ALA 687 CO -0.39 -0.32 -0.03 1.98 0.00 0.00 0.00 179.25 180.50 3ii5 h MET 688 N 0.24 -0.07 -0.49 0.00 1.85 -1.31 -2.34 114.93 112.81 3ii5 h MET 688 Ca 0.25 0.00 0.08 0.00 -0.61 0.00 0.00 59.70 59.42 3ii5 h MET 688 Cb 0.67 0.02 -0.06 0.00 0.43 0.00 0.00 31.60 32.66 3ii5 h MET 688 CO -0.05 0.52 0.14 -0.22 -0.40 0.00 0.00 176.91 176.90 3ii5 h LYS 689 N -0.74 0.29 -0.69 0.39 3.64 -1.24 0.59 116.57 118.81 3ii5 h LYS 689 Ca -0.01 -0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.42 3ii5 h LYS 689 Cb 0.62 -0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 32.31 3ii5 h LYS 689 CO 0.01 0.19 0.37 -0.09 -2.27 0.00 0.00 179.45 177.66 3ii5 h ARG 690 N 0.29 0.65 -0.34 1.90 2.43 -1.34 -0.19 114.38 117.79 3ii5 h ARG 690 Ca 0.24 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.33 3ii5 h ARG 690 Cb 0.29 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 3ii5 h ARG 690 CO -0.28 0.43 0.05 1.25 -1.51 0.00 0.00 179.97 179.91 3ii5 h LEU 691 N 0.67 0.54 -0.85 3.80 5.85 -0.77 -2.58 115.31 121.98 3ii5 h LEU 691 Ca 0.32 -0.27 0.08 0.00 0.84 0.00 0.00 57.88 58.85 3ii5 h LEU 691 Cb 0.24 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.05 3ii5 h LEU 691 CO -0.21 0.67 0.50 -0.03 -0.34 0.00 0.00 178.44 179.04 3ii5 h MET 692 N 0.39 0.84 -0.50 1.25 4.05 -0.26 -1.89 114.93 118.83 3ii5 h MET 692 Ca 0.10 -0.05 -0.08 0.00 -0.28 0.00 0.00 59.70 59.39 3ii5 h MET 692 Cb 0.36 -0.19 -0.02 0.00 -0.80 0.00 0.00 31.60 30.95 3ii5 h MET 692 CO 0.01 0.56 -0.02 0.00 0.23 0.00 0.00 176.91 177.69 3ii5 h ALA 693 N 1.44 1.03 0.00 0.39 0.00 -0.86 -2.71 119.26 118.55 3ii5 h ALA 693 Ca 0.39 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 3ii5 h ALA 693 Cb 0.30 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3ii5 h ALA 693 CO -0.22 0.60 -0.39 0.93 0.00 0.00 0.00 179.25 180.16 3ii5 h GLU 694 N 0.78 0.00 0.00 0.00 5.08 -0.97 -2.78 114.58 116.70 3ii5 h GLU 694 Ca 0.15 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.38 3ii5 h GLU 694 Cb 0.50 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 3ii5 h GLU 694 CO 0.02 0.39 -0.58 0.00 -1.00 0.00 0.00 179.01 177.84 3ii5 n LEU 696 N -3.61 4.06 -4.71 0.00 4.77 -1.05 -3.98 117.00 112.46 3ii5 n LEU 696 Ca -0.00 -2.04 -0.43 0.00 -0.03 0.00 0.00 56.01 53.51 3ii5 n LEU 696 Cb 0.63 -0.51 -0.03 0.00 -2.33 0.00 0.00 43.42 41.19 3ii5 n LEU 696 CO 0.41 0.88 1.24 0.29 -1.33 0.00 0.00 177.39 178.87 3ii5 n LYS 697 N 1.38 2.54 -0.21 3.23 5.02 -1.18 -4.86 118.16 124.07 3ii5 n LYS 697 Ca 0.24 0.91 0.14 0.00 -2.02 0.00 0.00 58.31 57.57 3ii5 n LYS 697 Cb 0.69 -2.69 0.44 0.00 -0.02 0.00 0.00 35.03 33.46 3ii5 n LYS 697 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 3ii5 h LYS 698 N 5.46 0.53 -5.57 1.97 1.57 -1.93 -3.40 116.57 115.20 3ii5 h LYS 698 Ca -0.45 -0.03 -0.61 0.00 -1.87 0.00 0.00 60.65 57.68 3ii5 h LYS 698 Cb 1.23 -0.12 -0.11 0.00 0.08 0.00 0.00 32.23 33.31 3ii5 h LYS 698 CO 0.85 0.35 0.22 0.15 -0.57 0.00 0.00 179.45 180.45 3ii5 s LYS 699 N -5.54 3.98 0.14 3.15 1.02 -1.26 -4.79 119.74 116.44 3ii5 s LYS 699 Ca -0.09 0.45 -0.30 0.00 0.02 0.00 0.00 55.97 56.05 3ii5 s LYS 699 Cb 0.21 -3.70 -0.06 0.00 -0.52 0.00 0.00 37.83 33.76 3ii5 s LYS 699 CO 0.78 -0.55 1.57 -0.09 -0.92 0.00 0.00 175.35 176.13 3ii5 h ARG 700 N 8.07 -0.42 0.00 1.68 2.43 -1.99 -2.10 114.38 122.05 3ii5 h ARG 700 Ca -0.26 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.94 3ii5 h ARG 700 Cb 1.11 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 3ii5 h ARG 700 CO 0.81 -0.28 0.00 -0.25 -1.51 0.00 0.00 179.97 178.74 3ii5 n ASP 701 N -5.42 0.00 -0.93 -3.80 8.00 -1.26 -1.78 116.55 111.36 3ii5 n ASP 701 Ca -0.03 -0.46 0.12 0.00 0.71 0.00 0.00 54.79 55.13 3ii5 n ASP 701 Cb 0.36 0.00 0.10 0.00 -0.02 0.00 0.00 41.12 41.56 3ii5 n ASP 701 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 3ii5 n GLU 702 N -0.99 2.27 -3.61 -1.24 2.13 -0.79 -4.94 120.64 113.47 3ii5 n GLU 702 Ca 0.11 -1.87 -0.35 0.00 0.66 0.00 0.00 57.16 55.70 3ii5 n GLU 702 Cb 0.05 -1.46 -0.06 0.00 0.27 0.00 0.00 31.44 30.24 3ii5 n GLU 702 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 3ii5 s ARG 703 N -2.02 3.74 0.81 5.31 0.52 -0.73 -4.93 118.95 121.64 3ii5 s ARG 703 Ca 0.28 0.15 -0.11 0.00 -0.52 0.00 0.00 55.73 55.53 3ii5 s ARG 703 Cb 0.20 -3.06 0.08 0.00 0.52 0.00 0.00 34.95 32.69 3ii5 s ARG 703 CO 0.31 0.61 1.09 -1.25 0.02 0.00 0.00 175.30 176.08 3ii5 s PRO 704 N -1.72 1.96 0.46 3.54 0.04 -1.26 -5.00 135.00 133.03 3ii5 s PRO 704 Ca 0.30 0.89 0.07 0.00 0.04 0.00 0.00 61.00 62.31 3ii5 s PRO 704 Cb -0.14 -1.88 0.01 0.00 0.04 0.00 0.00 34.50 32.52 3ii5 s PRO 704 CO 0.16 -1.77 0.43 -0.51 0.04 0.00 0.00 177.00 175.35 3ii5 s LEU 705 N -5.94 3.19 0.21 -3.56 1.43 -1.26 -4.88 118.68 107.86 3ii5 s LEU 705 Ca 0.61 -0.88 -0.07 0.00 -1.03 0.00 0.00 54.13 52.76 3ii5 s LEU 705 Cb -0.16 -1.79 0.15 0.00 0.03 0.00 0.00 46.19 44.41 3ii5 s LEU 705 CO 0.56 -0.84 1.69 -0.26 0.23 0.00 0.00 176.35 177.73 3ii5 h PHE 706 N 0.87 1.10 -0.47 0.29 0.04 -1.94 -0.85 116.94 115.98 3ii5 h PHE 706 Ca -0.39 -0.17 0.10 0.00 2.80 0.00 0.00 57.97 60.31 3ii5 h PHE 706 Cb 1.28 -0.29 -0.10 0.00 2.20 0.00 0.00 35.95 39.04 3ii5 h PHE 706 CO 0.62 0.96 -0.19 -1.35 -0.60 0.00 0.00 178.31 177.75 3ii5 h PRO 707 N 0.94 -0.08 -0.61 1.51 0.11 -1.95 0.86 132.00 132.79 3ii5 h PRO 707 Ca 0.18 0.01 -0.07 0.00 0.11 0.00 0.00 66.00 66.22 3ii5 h PRO 707 Cb 0.50 0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.60 3ii5 h PRO 707 CO 0.02 -0.06 0.09 0.37 -0.21 0.00 0.00 178.00 178.21 3ii5 h GLN 708 N -0.09 0.99 0.18 1.05 4.15 -1.80 -0.22 115.11 119.37 3ii5 h GLN 708 Ca 0.23 -0.25 -0.01 0.00 0.77 0.00 0.00 58.65 59.38 3ii5 h GLN 708 Cb 0.43 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.00 3ii5 h GLN 708 CO -0.53 0.92 -0.09 0.82 -1.93 0.00 0.00 178.83 178.02 3ii5 h ILE 709 N 0.93 0.93 -0.79 2.39 2.04 -0.31 -1.47 117.51 121.23 3ii5 h ILE 709 Ca 0.19 -0.72 0.11 0.00 1.00 0.00 0.00 64.86 65.44 3ii5 h ILE 709 Cb 0.42 1.35 -0.08 0.00 -0.74 0.00 0.00 36.82 37.78 3ii5 h ILE 709 CO 0.01 0.16 0.41 0.25 0.00 0.00 0.00 178.15 178.99 3ii5 h LEU 710 N -0.61 0.55 0.08 1.44 5.85 0.82 -0.09 115.31 123.35 3ii5 h LEU 710 Ca -0.02 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.77 3ii5 h LEU 710 Cb 0.45 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 3ii5 h LEU 710 CO 0.04 0.29 -0.13 0.00 -0.34 0.00 0.00 178.44 178.30 3ii5 h ALA 711 N 1.47 -0.21 -0.88 1.25 0.00 -0.99 -1.52 119.26 118.38 3ii5 h ALA 711 Ca 0.40 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.37 3ii5 h ALA 711 Cb 0.45 0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.37 3ii5 h ALA 711 CO -0.29 -0.64 0.57 0.77 0.00 0.00 0.00 179.25 179.66 3ii5 h SER 712 N -0.25 0.82 -0.07 0.00 0.02 -0.01 -0.91 113.55 113.14 3ii5 h SER 712 Ca 0.02 0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 60.95 3ii5 h SER 712 Cb 0.27 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.65 3ii5 h SER 712 CO -0.07 0.50 -0.12 0.40 -1.14 0.00 0.00 176.83 176.40 3ii5 h ILE 713 N 0.91 1.41 -0.90 3.27 2.04 -0.84 -2.35 117.51 121.03 3ii5 h ILE 713 Ca 0.40 -1.39 0.05 0.00 1.00 0.00 0.00 64.86 64.92 3ii5 h ILE 713 Cb 0.34 2.17 -0.06 0.00 -0.74 0.00 0.00 36.82 38.53 3ii5 h ILE 713 CO -0.16 0.39 0.57 -0.33 0.00 0.00 0.00 178.15 178.62 3ii5 h GLU 714 N -0.28 1.03 -0.36 2.37 5.08 -0.93 -0.13 114.58 121.36 3ii5 h GLU 714 Ca 0.00 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 3ii5 h GLU 714 Cb 0.68 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 3ii5 h GLU 714 CO 0.03 0.68 0.09 1.25 -1.00 0.00 0.00 179.01 180.06 3ii5 h LEU 715 N 1.06 0.55 -0.02 1.33 5.85 -1.18 -2.95 115.31 119.96 3ii5 h LEU 715 Ca 0.38 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.87 3ii5 h LEU 715 Cb 0.12 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.01 3ii5 h LEU 715 CO -0.16 0.64 0.00 0.17 -0.34 0.00 0.00 178.44 178.76 3ii5 h LEU 716 N 0.44 0.00 -0.31 2.25 8.10 -1.07 -3.21 115.31 121.51 3ii5 h LEU 716 Ca 0.11 0.00 -0.20 0.00 0.11 0.00 0.00 57.88 57.90 3ii5 h LEU 716 Cb 0.31 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.53 3ii5 h LEU 716 CO 0.00 0.00 -0.77 0.00 -4.11 0.00 0.00 178.44 173.56 3ii5 h ALA 717 N 2.48 0.49 0.00 0.17 0.00 -0.85 -3.27 119.26 118.27 3ii5 h ALA 717 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.29 3ii5 h ALA 717 Cb 0.75 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3ii5 h ALA 717 CO 0.00 0.74 0.00 0.54 0.00 0.00 0.00 179.25 180.53 3ii5 n ARG 718 N -3.86 0.09 0.00 0.00 1.74 -1.18 -5.11 116.66 108.35 3ii5 n ARG 718 Ca -0.05 0.33 0.08 0.00 -0.77 0.00 0.00 57.85 57.45 3ii5 n ARG 718 Cb 0.73 -1.67 0.07 0.00 -1.02 0.00 0.00 32.46 30.58 3ii5 n ARG 718 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98