#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3rpb n GLY 542 N 0.00 1.26 2.99 -0.13 0.00 -0.36 -2.22 105.19 106.73 3rpb n GLY 542 Ca 0.00 -2.17 -0.20 0.00 0.00 0.00 0.00 46.02 43.66 3rpb n GLY 542 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3rpb s LYS 543 N -1.45 0.90 -0.14 1.61 1.02 0.40 -1.15 119.74 120.92 3rpb s LYS 543 Ca 0.00 -0.28 -0.01 0.00 0.02 0.00 0.00 55.97 55.70 3rpb s LYS 543 Cb 0.00 -0.84 -0.02 0.00 -0.52 0.00 0.00 37.83 36.45 3rpb s LYS 543 CO 0.00 0.10 -0.10 -1.50 -0.92 0.00 0.00 175.35 172.93 3rpb s ILE 544 N 0.21 3.27 -0.35 2.17 -1.16 -0.67 0.55 121.20 125.21 3rpb s ILE 544 Ca -0.03 -0.58 -0.29 0.00 -0.51 0.00 0.00 60.65 59.24 3rpb s ILE 544 Cb -0.08 -2.40 0.02 0.00 0.61 0.00 0.00 42.46 40.61 3rpb s ILE 544 CO 0.00 0.51 1.11 -0.22 -2.81 0.00 0.00 174.94 173.54 3rpb s LEU 545 N 0.41 3.87 -0.12 8.50 2.96 0.48 -1.62 118.68 133.16 3rpb s LEU 545 Ca -0.08 0.95 0.00 0.00 -0.22 0.00 0.00 54.13 54.78 3rpb s LEU 545 Cb -0.15 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 42.98 3rpb s LEU 545 CO 0.04 -0.98 -0.14 -0.69 -1.32 0.00 0.00 176.35 173.26 3rpb s VAL 546 N 3.89 2.94 -0.09 1.68 1.01 0.20 -1.91 120.40 128.13 3rpb s VAL 546 Ca 0.47 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.76 3rpb s VAL 546 Cb -0.12 -2.22 -0.03 0.00 0.00 0.00 0.00 36.38 34.02 3rpb s VAL 546 CO 0.19 0.53 -0.10 -0.55 0.00 0.00 0.00 175.10 175.17 3rpb s SER 547 N 0.31 4.33 0.32 3.32 0.15 0.33 -1.58 113.70 120.89 3rpb s SER 547 Ca -0.11 -0.15 0.10 0.00 0.70 0.00 0.00 55.95 56.49 3rpb s SER 547 Cb -0.16 -1.23 -0.06 0.00 -1.71 0.00 0.00 66.02 62.86 3rpb s SER 547 CO 0.06 0.29 -0.11 -0.76 1.20 0.00 0.00 173.24 173.93 3rpb s LEU 548 N -0.40 2.75 0.00 3.45 1.43 0.74 0.20 118.68 126.84 3rpb s LEU 548 Ca 0.05 -1.08 0.00 0.00 -1.03 0.00 0.00 54.13 52.07 3rpb s LEU 548 Cb -0.12 -1.13 0.00 0.00 0.03 0.00 0.00 46.19 44.97 3rpb s LEU 548 CO 0.02 -0.12 0.00 0.80 0.23 0.00 0.00 176.35 177.28 3rpb n MET 549 N -0.77 0.00 -4.17 1.70 1.56 -0.44 0.15 117.12 115.15 3rpb n MET 549 Ca -0.05 0.00 -0.35 0.00 -0.27 0.00 0.00 57.70 57.03 3rpb n MET 549 Cb 0.62 0.00 -0.10 0.00 2.15 0.00 0.00 33.22 35.89 3rpb n MET 549 CO 0.00 0.00 0.00 -0.47 -0.73 0.00 0.00 175.97 174.77 3rpb s TYR 550 N 0.00 3.22 -0.84 1.12 5.04 -0.81 0.14 117.35 125.22 3rpb s TYR 550 Ca 0.00 0.09 -0.06 0.00 -2.44 0.00 0.00 57.07 54.66 3rpb s TYR 550 Cb 0.00 -1.96 0.21 0.00 0.35 0.00 0.00 41.96 40.57 3rpb s TYR 550 CO 0.00 0.27 0.73 0.45 -1.34 0.00 0.00 175.55 175.67 3rpb s SER 551 N -0.14 6.15 0.31 4.32 0.15 0.03 -2.52 113.70 122.01 3rpb s SER 551 Ca 0.06 -3.23 0.08 0.00 0.70 0.00 0.00 55.95 53.56 3rpb s SER 551 Cb -0.12 -2.01 0.83 0.00 -1.71 0.00 0.00 66.02 63.01 3rpb s SER 551 CO 0.02 -0.34 1.75 0.71 1.20 0.00 0.00 173.24 176.58 3rpb h THR 552 N 4.50 0.61 -0.47 6.45 1.35 -1.93 0.68 112.91 124.10 3rpb h THR 552 Ca 0.10 -0.23 0.09 0.00 -0.55 0.00 0.00 66.41 65.83 3rpb h THR 552 Cb 0.91 -0.11 -0.08 0.00 -1.73 0.00 0.00 68.15 67.14 3rpb h THR 552 CO 0.81 0.12 -0.06 1.56 -0.25 0.00 0.00 175.52 177.71 3rpb h GLN 553 N 0.66 0.05 0.00 4.72 7.50 -1.94 0.15 115.11 126.26 3rpb h GLN 553 Ca 0.62 -0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.76 3rpb h GLN 553 Cb 1.09 -0.01 0.00 0.00 0.05 0.00 0.00 27.48 28.61 3rpb h GLN 553 CO -0.43 0.04 -0.09 1.96 -1.50 0.00 0.00 178.83 178.81 3rpb h GLN 554 N 0.05 0.00 -3.03 1.46 1.08 -1.10 -3.47 115.11 110.10 3rpb h GLN 554 Ca 0.23 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 57.27 3rpb h GLN 554 Cb 0.35 0.00 0.06 0.00 -0.05 0.00 0.00 27.48 27.84 3rpb h GLN 554 CO -0.43 0.00 -0.28 0.41 -0.95 0.00 0.00 178.83 177.57 3rpb n GLY 555 N 1.22 0.32 3.54 3.46 0.00 0.21 -5.04 105.19 108.90 3rpb n GLY 555 Ca 0.05 -0.29 -0.10 0.00 0.00 0.00 0.00 46.02 45.67 3rpb n GLY 555 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3rpb s GLY 556 N -3.17 -0.34 0.41 -0.02 0.00 -1.11 -4.30 107.32 98.79 3rpb s GLY 556 Ca 0.22 0.09 -0.05 0.00 0.00 0.00 0.00 44.72 44.98 3rpb s GLY 556 CO 0.30 -0.03 0.71 -2.27 0.00 0.00 0.00 173.10 171.80 3rpb s LEU 557 N -2.82 3.80 -0.12 0.66 2.96 -0.92 -0.79 118.68 121.45 3rpb s LEU 557 Ca 0.05 0.87 -0.00 0.00 -0.22 0.00 0.00 54.13 54.83 3rpb s LEU 557 Cb -0.02 -3.77 0.02 0.00 0.50 0.00 0.00 46.19 42.92 3rpb s LEU 557 CO -0.06 -0.43 -0.10 -0.63 -1.32 0.00 0.00 176.35 173.81 3rpb s ILE 558 N -2.49 1.20 -0.22 6.68 -1.09 0.37 0.15 121.20 125.80 3rpb s ILE 558 Ca 0.47 -0.40 -0.06 0.00 -2.23 0.00 0.00 60.65 58.43 3rpb s ILE 558 Cb -0.10 -1.18 -0.02 0.00 -1.58 0.00 0.00 42.46 39.58 3rpb s ILE 558 CO 0.38 0.40 0.01 -0.69 -1.23 0.00 0.00 174.94 173.81 3rpb s VAL 559 N 1.60 3.97 -0.28 2.92 1.01 -1.07 -1.32 120.40 127.23 3rpb s VAL 559 Ca 0.04 -0.30 -0.04 0.00 0.00 0.00 0.00 61.98 61.68 3rpb s VAL 559 Cb -0.13 -2.82 0.02 0.00 0.00 0.00 0.00 36.38 33.46 3rpb s VAL 559 CO -0.09 0.40 0.01 -0.83 0.00 0.00 0.00 175.10 174.60 3rpb s GLY 560 N 1.25 1.72 -0.66 4.51 0.00 0.52 0.26 107.32 114.92 3rpb s GLY 560 Ca 0.04 -1.52 -0.19 0.00 0.00 0.00 0.00 44.72 43.05 3rpb s GLY 560 CO 0.01 0.61 0.80 -0.42 0.00 0.00 0.00 173.10 174.10 3rpb s ILE 561 N 1.39 4.79 0.00 0.90 -1.09 0.43 0.12 121.20 127.74 3rpb s ILE 561 Ca 0.00 -1.08 0.00 0.00 -2.23 0.00 0.00 60.65 57.34 3rpb s ILE 561 Cb -0.17 -4.56 0.00 0.00 -1.58 0.00 0.00 42.46 36.15 3rpb s ILE 561 CO -0.01 -1.22 0.24 -0.38 -1.23 0.00 0.00 174.94 172.34 3rpb n ILE 562 N 5.48 0.00 -3.81 2.92 -0.00 -0.80 0.21 119.36 123.36 3rpb n ILE 562 Ca -0.03 0.61 -0.05 0.00 -0.00 0.00 0.00 62.75 63.28 3rpb n ILE 562 Cb 0.44 -1.34 -0.01 0.00 -0.00 0.00 0.00 39.64 38.74 3rpb n ILE 562 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3rpb s ARG 563 N -1.10 1.49 0.25 0.38 1.70 -1.23 0.22 118.95 120.67 3rpb s ARG 563 Ca 0.00 -0.86 0.09 0.00 -0.47 0.00 0.00 55.73 54.49 3rpb s ARG 563 Cb 0.00 0.49 -0.05 0.00 -0.57 0.00 0.00 34.95 34.82 3rpb s ARG 563 CO 0.00 -0.69 -0.13 0.00 -1.08 0.00 0.00 175.30 173.40 3rpb s VAL 565 N -2.84 0.05 -1.20 0.00 -7.23 0.19 -3.83 120.40 105.56 3rpb s VAL 565 Ca 0.27 -0.45 -0.17 0.00 -1.81 0.00 0.00 61.98 59.82 3rpb s VAL 565 Cb -0.01 -0.27 -0.01 0.00 0.56 0.00 0.00 36.38 36.66 3rpb s VAL 565 CO 0.11 -0.25 0.72 1.57 -0.31 0.00 0.00 175.10 176.94 3rpb n HIS 566 N 2.16 -1.85 -2.25 2.82 -0.00 -1.22 -0.46 115.22 114.43 3rpb n HIS 566 Ca -0.19 0.51 -0.28 0.00 0.46 0.00 0.00 57.72 58.22 3rpb n HIS 566 Cb 0.57 -3.52 0.02 0.00 -0.12 0.00 0.00 29.99 26.94 3rpb n HIS 566 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 3rpb s LEU 567 N -6.60 3.27 0.40 0.27 1.43 -1.03 -1.22 118.68 115.19 3rpb s LEU 567 Ca 0.37 0.99 -0.24 0.00 -1.03 0.00 0.00 54.13 54.22 3rpb s LEU 567 Cb -0.13 -3.89 -0.09 0.00 0.03 0.00 0.00 46.19 42.11 3rpb s LEU 567 CO 0.87 -0.96 1.07 0.00 0.23 0.00 0.00 176.35 177.56 3rpb s ALA 568 N -3.04 3.10 -0.32 4.21 0.00 -0.94 -4.81 121.76 119.95 3rpb s ALA 568 Ca 0.53 0.75 -0.08 0.00 0.00 0.00 0.00 51.96 53.17 3rpb s ALA 568 Cb -0.11 -3.29 0.02 0.00 0.00 0.00 0.00 23.12 19.74 3rpb s ALA 568 CO 0.48 -0.28 0.12 0.00 0.00 0.00 0.00 175.76 176.08 3rpb s ALA 569 N -1.60 3.13 -0.12 0.00 0.00 -1.26 -4.33 121.76 117.58 3rpb s ALA 569 Ca 0.58 -1.55 0.15 0.00 0.00 0.00 0.00 51.96 51.13 3rpb s ALA 569 Cb -0.24 -2.29 -0.03 0.00 0.00 0.00 0.00 23.12 20.57 3rpb s ALA 569 CO 0.30 -1.09 1.23 0.52 0.00 0.00 0.00 175.76 176.72 3rpb h MET 570 N 8.28 0.00 -6.95 0.00 2.86 -1.65 -3.44 114.93 114.03 3rpb h MET 570 Ca -0.29 0.00 -0.49 0.00 -2.06 0.00 0.00 59.70 56.86 3rpb h MET 570 Cb 1.12 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.78 3rpb h MET 570 CO 0.62 0.48 0.20 -0.51 1.06 0.00 0.00 176.91 178.75 3rpb s ASP 571 N -6.27 6.56 0.00 1.22 1.01 -1.03 -4.94 116.67 113.22 3rpb s ASP 571 Ca 0.02 1.27 0.13 0.00 0.71 0.00 0.00 52.55 54.67 3rpb s ASP 571 Cb 0.08 -2.38 0.63 0.00 1.01 0.00 0.00 42.92 42.26 3rpb s ASP 571 CO 0.77 -0.45 1.35 0.00 0.21 0.00 0.00 175.17 177.05 3rpb n ALA 572 N -1.37 1.72 1.35 5.23 0.00 -1.26 -1.89 120.51 124.29 3rpb n ALA 572 Ca 0.04 -0.06 0.15 0.00 0.00 0.00 0.00 53.44 53.57 3rpb n ALA 572 Cb 0.54 -1.21 0.71 0.00 0.00 0.00 0.00 19.45 19.49 3rpb n ALA 572 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3rpb n ASN 573 N -1.34 0.07 0.00 0.00 3.02 -1.26 -4.88 115.26 110.87 3rpb n ASN 573 Ca 0.05 -0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.50 3rpb n ASN 573 Cb 0.11 -0.28 0.00 0.00 -0.61 0.00 0.00 39.78 39.01 3rpb n ASN 573 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3rpb n GLY 574 N 1.32 0.69 0.00 7.41 0.00 -0.79 -5.04 105.19 108.77 3rpb n GLY 574 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3rpb n GLY 574 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3rpb n TYR 575 N -2.61 0.00 -3.81 1.61 4.02 -1.26 -4.57 117.16 110.55 3rpb n TYR 575 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.80 3rpb n TYR 575 Cb 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.34 3rpb n TYR 575 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 3rpb s SER 576 N -0.73 -0.00 -0.54 7.72 0.01 -1.26 -1.58 113.70 117.31 3rpb s SER 576 Ca 0.00 -1.13 0.05 0.00 1.31 0.00 0.00 55.95 56.18 3rpb s SER 576 Cb 0.00 0.85 0.35 0.00 0.21 0.00 0.00 66.02 67.43 3rpb s SER 576 CO 0.00 -1.68 0.96 0.47 0.41 0.00 0.00 173.24 173.40 3rpb n ASP 577 N -1.39 4.31 -4.77 2.44 8.00 -1.26 0.54 116.55 124.43 3rpb n ASP 577 Ca -0.08 -3.65 -0.39 0.00 0.71 0.00 0.00 54.79 51.38 3rpb n ASP 577 Cb 0.60 -0.55 -0.00 0.00 -0.02 0.00 0.00 41.12 41.15 3rpb n ASP 577 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3rpb s PRO 578 N -3.43 3.82 0.11 -0.24 0.04 -1.25 0.23 135.00 134.28 3rpb s PRO 578 Ca 0.48 2.07 -0.08 0.00 0.04 0.00 0.00 61.00 63.51 3rpb s PRO 578 Cb 0.30 -2.62 -0.01 0.00 0.04 0.00 0.00 34.50 32.22 3rpb s PRO 578 CO -0.14 -0.58 0.19 -0.59 0.04 0.00 0.00 177.00 175.92 3rpb s PHE 579 N -1.33 0.31 -0.12 0.56 -0.71 -0.17 -2.42 117.98 114.10 3rpb s PHE 579 Ca 0.60 -0.73 0.02 0.00 -1.04 0.00 0.00 56.93 55.78 3rpb s PHE 579 Cb -0.36 -0.12 -0.01 0.00 -1.21 0.00 0.00 43.02 41.33 3rpb s PHE 579 CO 0.45 -0.58 -0.18 0.08 -1.34 0.00 0.00 175.22 173.65 3rpb s VAL 580 N -3.91 2.65 -0.13 -2.49 1.01 -1.26 -0.94 120.40 115.32 3rpb s VAL 580 Ca 0.10 -0.81 -0.01 0.00 0.00 0.00 0.00 61.98 61.27 3rpb s VAL 580 Cb 0.05 -2.08 -0.02 0.00 0.00 0.00 0.00 36.38 34.33 3rpb s VAL 580 CO -0.07 0.54 -0.11 -0.54 0.00 0.00 0.00 175.10 174.93 3rpb s LYS 581 N 0.35 3.38 -0.04 2.72 1.02 0.11 0.16 119.74 127.44 3rpb s LYS 581 Ca -0.14 -0.64 0.07 0.00 0.02 0.00 0.00 55.97 55.27 3rpb s LYS 581 Cb -0.17 -2.68 -0.02 0.00 -0.52 0.00 0.00 37.83 34.44 3rpb s LYS 581 CO 0.07 0.26 -0.24 -0.51 -0.92 0.00 0.00 175.35 174.02 3rpb s LEU 582 N 0.24 2.17 -0.15 3.17 1.02 -0.62 -0.85 118.68 123.66 3rpb s LEU 582 Ca -0.07 -0.44 -0.05 0.00 0.02 0.00 0.00 54.13 53.60 3rpb s LEU 582 Cb -0.15 -1.39 0.07 0.00 0.02 0.00 0.00 46.19 44.75 3rpb s LEU 582 CO 0.05 0.30 0.27 0.86 0.02 0.00 0.00 176.35 177.85 3rpb s TRP 583 N -0.50 -0.44 -0.45 0.29 -0.00 -1.08 0.24 118.94 117.00 3rpb s TRP 583 Ca 0.06 0.88 -0.20 0.00 -0.00 0.00 0.00 56.10 56.85 3rpb s TRP 583 Cb -0.11 -0.07 0.03 0.00 -0.00 0.00 0.00 33.47 33.32 3rpb s TRP 583 CO 0.01 -0.42 0.62 -1.17 -0.00 0.00 0.00 176.95 175.99 3rpb s LEU 584 N 2.42 4.64 0.53 5.86 2.96 -1.14 -1.88 118.68 132.07 3rpb s LEU 584 Ca 0.03 -0.51 -0.11 0.00 -0.22 0.00 0.00 54.13 53.32 3rpb s LEU 584 Cb -0.13 -2.62 -0.05 0.00 0.50 0.00 0.00 46.19 43.89 3rpb s LEU 584 CO -0.10 -0.79 0.92 -0.54 -1.32 0.00 0.00 176.35 174.53 3rpb s LYS 585 N 2.72 3.69 -0.36 1.98 1.02 -0.45 -3.67 119.74 124.68 3rpb s LYS 585 Ca 0.20 0.63 -0.22 0.00 0.02 0.00 0.00 55.97 56.60 3rpb s LYS 585 Cb -0.15 -2.21 0.01 0.00 -0.52 0.00 0.00 37.83 34.95 3rpb s LYS 585 CO 0.17 -0.34 0.72 -1.25 -0.92 0.00 0.00 175.35 173.73 3rpb s PRO 586 N -4.62 3.74 -0.03 -1.68 0.05 -1.26 -2.45 135.00 128.75 3rpb s PRO 586 Ca 0.54 0.22 -0.02 0.00 0.05 0.00 0.00 61.00 61.78 3rpb s PRO 586 Cb -0.10 -3.80 -0.01 0.00 0.05 0.00 0.00 34.50 30.63 3rpb s PRO 586 CO 0.43 -0.79 0.11 -0.40 0.05 0.00 0.00 177.00 176.40 3rpb n ASP 587 N 6.24 0.04 -0.03 6.66 5.75 -1.24 -4.83 116.55 129.14 3rpb n ASP 587 Ca 0.01 0.04 -0.21 0.00 -0.01 0.00 0.00 54.79 54.62 3rpb n ASP 587 Cb 0.48 -0.05 -0.13 0.00 -1.03 0.00 0.00 41.12 40.40 3rpb n ASP 587 CO 0.00 0.00 0.00 1.15 -0.11 0.00 0.00 177.20 178.24 3rpb n MET 588 N 0.36 0.71 0.00 0.11 0.00 -1.26 -4.60 117.12 112.45 3rpb n MET 588 Ca 0.03 0.28 0.00 0.00 0.00 0.00 0.00 57.70 58.01 3rpb n MET 588 Cb -0.00 -1.68 0.00 0.00 0.00 0.00 0.00 33.22 31.54 3rpb n MET 588 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3rpb n GLY 589 N 1.95 -0.45 2.17 3.17 0.00 -1.26 -5.00 105.19 105.77 3rpb n GLY 589 Ca -0.35 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.67 3rpb n GLY 589 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3rpb n LYS 590 N -0.16 0.00 0.19 1.61 2.85 -1.26 -4.77 118.16 116.62 3rpb n LYS 590 Ca 0.00 0.00 0.14 0.00 -1.05 0.00 0.00 58.31 57.40 3rpb n LYS 590 Cb 0.05 0.00 0.66 0.00 -0.65 0.00 0.00 35.03 35.09 3rpb n LYS 590 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 177.40 178.92 3rpb h LYS 591 N 0.00 0.00 -0.62 -1.58 5.09 -1.98 -2.93 116.57 114.55 3rpb h LYS 591 Ca 0.00 0.00 0.18 0.00 0.09 0.00 0.00 60.65 60.92 3rpb h LYS 591 Cb 0.00 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.31 3rpb h LYS 591 CO 0.00 0.00 0.87 0.00 -2.09 0.00 0.00 179.45 178.23 3rpb h ALA 592 N 2.10 2.44 -2.30 0.07 0.00 -1.89 -3.40 119.26 116.28 3rpb h ALA 592 Ca 0.00 -0.02 -0.49 0.00 0.00 0.00 0.00 54.91 54.39 3rpb h ALA 592 Cb 0.21 0.05 0.04 0.00 0.00 0.00 0.00 17.79 18.09 3rpb h ALA 592 CO 0.00 -1.19 0.34 0.15 0.00 0.00 0.00 179.25 178.55 3rpb s LYS 593 N -4.40 3.72 0.35 0.00 1.02 -1.11 -2.89 119.74 116.42 3rpb s LYS 593 Ca -0.03 0.72 -0.14 0.00 0.02 0.00 0.00 55.97 56.54 3rpb s LYS 593 Cb 0.12 -2.16 0.04 0.00 -0.52 0.00 0.00 37.83 35.30 3rpb s LYS 593 CO 0.42 -0.38 0.70 -1.01 -0.92 0.00 0.00 175.35 174.15 3rpb s HIS 594 N -2.88 0.26 -0.29 3.18 3.76 0.66 -4.88 115.29 115.10 3rpb s HIS 594 Ca 0.55 -0.80 -0.13 0.00 -0.15 0.00 0.00 55.06 54.53 3rpb s HIS 594 Cb -0.11 0.60 0.11 0.00 1.11 0.00 0.00 32.58 34.29 3rpb s HIS 594 CO 0.44 -1.39 0.68 -1.59 -0.85 0.00 0.00 174.74 172.03 3rpb s LYS 595 N -2.84 0.64 0.60 1.40 0.00 -1.25 -1.59 119.74 116.69 3rpb s LYS 595 Ca 0.18 1.32 -0.10 0.00 0.00 0.00 0.00 55.97 57.37 3rpb s LYS 595 Cb -0.04 0.49 -0.04 0.00 0.00 0.00 0.00 37.83 38.24 3rpb s LYS 595 CO 0.12 -0.17 0.99 0.95 0.00 0.00 0.00 175.35 177.24 3rpb s THR 596 N 2.23 4.70 0.51 3.79 -4.23 0.41 -4.94 115.64 118.11 3rpb s THR 596 Ca -0.08 0.73 -0.19 0.00 -1.18 0.00 0.00 61.69 60.97 3rpb s THR 596 Cb -0.08 -3.85 -0.12 0.00 1.34 0.00 0.00 72.50 69.78 3rpb s THR 596 CO -0.19 -1.07 0.20 0.00 -0.54 0.00 0.00 174.62 173.02 3rpb n GLN 597 N -2.67 0.25 -3.08 3.99 6.02 -1.26 -4.26 117.38 116.36 3rpb n GLN 597 Ca 0.05 0.09 -0.40 0.00 -0.01 0.00 0.00 57.00 56.74 3rpb n GLN 597 Cb 0.54 -1.31 -0.05 0.00 1.02 0.00 0.00 30.24 30.44 3rpb n GLN 597 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3rpb s ILE 598 N -1.81 5.05 -0.94 5.09 -1.09 -1.26 -4.61 121.20 121.62 3rpb s ILE 598 Ca 0.62 1.34 -0.00 0.00 -2.23 0.00 0.00 60.65 60.38 3rpb s ILE 598 Cb -0.50 -4.00 0.31 0.00 -1.58 0.00 0.00 42.46 36.69 3rpb s ILE 598 CO 0.61 0.21 1.51 0.29 -1.23 0.00 0.00 174.94 176.33 3rpb n LYS 599 N 4.17 4.61 -1.60 2.79 4.01 -1.02 -5.04 118.16 126.09 3rpb n LYS 599 Ca -0.02 -4.68 -0.46 0.00 -0.51 0.00 0.00 58.31 52.65 3rpb n LYS 599 Cb 0.51 -2.42 -0.02 0.00 -0.51 0.00 0.00 35.03 32.58 3rpb n LYS 599 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 3rpb n LYS 600 N 0.32 1.43 -2.68 1.97 4.01 -1.26 -3.48 118.16 118.47 3rpb n LYS 600 Ca 0.38 0.50 -0.08 0.00 -0.51 0.00 0.00 58.31 58.60 3rpb n LYS 600 Cb 0.31 -1.96 0.04 0.00 -0.51 0.00 0.00 35.03 32.91 3rpb n LYS 600 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 3rpb n LYS 601 N 1.16 -1.40 0.00 1.97 4.01 0.33 -4.90 118.16 119.33 3rpb n LYS 601 Ca 0.11 0.75 0.00 0.00 -0.51 0.00 0.00 58.31 58.66 3rpb n LYS 601 Cb 0.30 -4.49 0.00 0.00 -0.51 0.00 0.00 35.03 30.33 3rpb n LYS 601 CO 0.00 0.00 0.00 -2.37 -1.11 0.00 0.00 177.40 173.92 3rpb n THR 602 N -2.41 0.00 0.11 -0.18 5.66 0.19 -4.87 114.28 112.78 3rpb n THR 602 Ca -0.04 0.00 0.02 0.00 -3.05 0.00 0.00 64.05 60.99 3rpb n THR 602 Cb 0.56 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.31 3rpb n THR 602 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 3rpb n LEU 603 N 0.00 0.11 -2.28 1.09 4.77 -1.26 -4.05 117.00 115.37 3rpb n LEU 603 Ca 0.00 -0.27 -0.22 0.00 -0.03 0.00 0.00 56.01 55.49 3rpb n LEU 603 Cb 0.00 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.11 3rpb n LEU 603 CO 0.00 0.03 0.15 -0.46 -1.33 0.00 0.00 177.39 175.78 3rpb n ASN 604 N -1.36 4.34 -4.35 -1.43 0.23 -1.26 -2.46 115.26 108.97 3rpb n ASN 604 Ca 0.00 -3.52 -0.29 0.00 -0.53 0.00 0.00 54.58 50.24 3rpb n ASN 604 Cb 0.09 -0.40 0.19 0.00 -2.08 0.00 0.00 39.78 37.58 3rpb n ASN 604 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 3rpb s PRO 605 N -3.57 -0.04 -0.17 -0.53 0.04 -1.25 -4.83 135.00 124.65 3rpb s PRO 605 Ca 0.46 0.17 0.01 0.00 0.04 0.00 0.00 61.00 61.68 3rpb s PRO 605 Cb 0.40 -1.71 0.02 0.00 0.04 0.00 0.00 34.50 33.25 3rpb s PRO 605 CO -0.04 -2.97 -0.18 -2.00 0.04 0.00 0.00 177.00 171.85 3rpb s GLU 606 N -5.27 2.73 -0.14 4.56 2.12 -1.26 -2.76 118.70 118.68 3rpb s GLU 606 Ca 0.68 -0.76 -0.10 0.00 0.36 0.00 0.00 54.97 55.14 3rpb s GLU 606 Cb -0.13 -2.44 -0.05 0.00 0.26 0.00 0.00 34.13 31.77 3rpb s GLU 606 CO 0.56 -0.24 -0.09 0.74 -0.54 0.00 0.00 175.26 175.69 3rpb h PHE 607 N 7.97 0.00 -6.39 5.30 0.04 0.25 -3.48 116.94 120.63 3rpb h PHE 607 Ca -0.42 0.00 -0.48 0.00 2.80 0.00 0.00 57.97 59.87 3rpb h PHE 607 Cb 1.13 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 39.25 3rpb h PHE 607 CO 0.48 0.20 -0.85 0.09 -0.60 0.00 0.00 178.31 177.63 3rpb n ASN 608 N -4.62 -1.31 -4.58 2.17 3.02 0.57 -4.90 115.26 105.61 3rpb n ASN 608 Ca -0.09 -0.93 -0.34 0.00 -0.03 0.00 0.00 54.58 53.18 3rpb n ASN 608 Cb 0.29 -3.39 -0.11 0.00 -0.61 0.00 0.00 39.78 35.96 3rpb n ASN 608 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3rpb s GLU 609 N -6.44 3.78 -0.34 3.52 0.41 0.30 -4.91 118.70 115.02 3rpb s GLU 609 Ca 0.15 -0.42 -0.09 0.00 -0.41 0.00 0.00 54.97 54.19 3rpb s GLU 609 Cb -0.08 -3.06 0.02 0.00 -1.78 0.00 0.00 34.13 29.23 3rpb s GLU 609 CO 0.87 0.30 0.16 -1.83 -0.49 0.00 0.00 175.26 174.26 3rpb s GLU 610 N 0.26 2.95 0.59 1.61 -1.05 -1.26 0.16 118.70 121.96 3rpb s GLU 610 Ca 0.01 -0.98 0.04 0.00 -0.15 0.00 0.00 54.97 53.89 3rpb s GLU 610 Cb -0.13 -3.61 0.07 0.00 -0.44 0.00 0.00 34.13 30.03 3rpb s GLU 610 CO 0.01 -0.60 0.81 -0.06 0.95 0.00 0.00 175.26 176.38 3rpb s PHE 611 N 1.54 2.04 -0.13 4.83 0.40 0.74 -4.93 117.98 122.47 3rpb s PHE 611 Ca 0.02 -0.36 -0.05 0.00 -0.60 0.00 0.00 56.93 55.94 3rpb s PHE 611 Cb -0.18 -2.61 0.06 0.00 0.51 0.00 0.00 43.02 40.79 3rpb s PHE 611 CO 0.05 -1.14 0.28 0.12 0.70 0.00 0.00 175.22 175.23 3rpb s PHE 612 N -2.79 -0.42 0.20 0.36 5.36 -1.26 -2.58 117.98 116.86 3rpb s PHE 612 Ca 0.61 0.95 0.06 0.00 -0.96 0.00 0.00 56.93 57.58 3rpb s PHE 612 Cb -0.07 0.04 -0.04 0.00 -0.34 0.00 0.00 43.02 42.61 3rpb s PHE 612 CO 0.40 -0.31 0.18 0.71 -1.46 0.00 0.00 175.22 174.74 3rpb s TYR 613 N 1.82 3.18 -0.83 10.12 1.51 0.40 -4.94 117.35 128.62 3rpb s TYR 613 Ca -0.05 -0.04 0.02 0.00 -1.01 0.00 0.00 57.07 55.99 3rpb s TYR 613 Cb -0.11 -1.48 0.31 0.00 -0.11 0.00 0.00 41.96 40.56 3rpb s TYR 613 CO -0.09 0.51 1.26 -3.47 -1.11 0.00 0.00 175.55 172.65 3rpb n ASP 614 N -0.74 5.53 -4.04 2.29 -0.08 -1.26 -2.16 116.55 116.08 3rpb n ASP 614 Ca -0.08 -3.57 -0.19 0.00 -1.51 0.00 0.00 54.79 49.44 3rpb n ASP 614 Cb 0.56 -0.91 -0.15 0.00 2.34 0.00 0.00 41.12 42.96 3rpb n ASP 614 CO 0.00 0.00 0.00 -0.51 0.12 0.00 0.00 177.20 176.81 3rpb s ILE 615 N -3.56 0.80 0.09 5.18 1.10 -1.26 -5.01 121.20 118.54 3rpb s ILE 615 Ca 0.40 -0.46 -0.30 0.00 -0.51 0.00 0.00 60.65 59.78 3rpb s ILE 615 Cb 0.17 -0.68 -0.06 0.00 0.15 0.00 0.00 42.46 42.04 3rpb s ILE 615 CO -0.05 0.21 1.17 -0.54 -2.11 0.00 0.00 174.94 173.62 3rpb s LYS 616 N -0.29 4.48 0.32 3.50 -0.14 -1.26 -4.12 119.74 122.22 3rpb s LYS 616 Ca 0.04 1.75 0.07 0.00 -1.36 0.00 0.00 55.97 56.46 3rpb s LYS 616 Cb -0.04 -3.33 0.89 0.00 -1.68 0.00 0.00 37.83 33.67 3rpb s LYS 616 CO -0.00 -0.16 1.61 1.25 -0.76 0.00 0.00 175.35 177.29 3rpb h HIS 617 N 6.29 0.36 -0.24 3.18 -0.00 -1.95 1.92 115.15 124.71 3rpb h HIS 617 Ca -0.42 0.05 0.07 0.00 -0.00 0.00 0.00 60.37 60.07 3rpb h HIS 617 Cb 1.21 -0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.61 3rpb h HIS 617 CO 0.66 -0.34 0.31 0.77 -0.00 0.00 0.00 177.93 179.32 3rpb h SER 618 N 0.11 0.00 0.00 3.26 0.02 -2.00 -0.67 113.55 114.26 3rpb h SER 618 Ca 0.65 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 61.29 3rpb h SER 618 Cb 1.44 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.92 3rpb h SER 618 CO -0.77 0.00 -2.24 0.47 -1.14 0.00 0.00 176.83 173.16 3rpb n ASP 619 N -3.63 0.45 -0.11 3.07 8.00 0.61 -4.62 116.55 120.33 3rpb n ASP 619 Ca 0.03 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.50 3rpb n ASP 619 Cb 0.44 1.03 -0.03 0.00 -0.02 0.00 0.00 41.12 42.55 3rpb n ASP 619 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3rpb n LEU 620 N -2.64 -0.28 -0.33 0.64 4.77 0.11 -0.40 117.00 118.87 3rpb n LEU 620 Ca -0.28 0.95 -0.05 0.00 -0.03 0.00 0.00 56.01 56.60 3rpb n LEU 620 Cb 1.05 -0.30 -0.02 0.00 -2.33 0.00 0.00 43.42 41.82 3rpb n LEU 620 CO 0.39 -0.62 0.43 0.00 -1.33 0.00 0.00 177.39 176.26 3rpb n ALA 621 N -2.99 -0.31 0.33 -1.18 0.00 -1.24 0.28 120.51 115.40 3rpb n ALA 621 Ca 0.01 0.75 0.22 0.00 0.00 0.00 0.00 53.44 54.41 3rpb n ALA 621 Cb 0.07 -0.23 1.14 0.00 0.00 0.00 0.00 19.45 20.42 3rpb n ALA 621 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3rpb h LYS 622 N 0.00 0.00 -7.24 0.00 1.57 -1.01 -2.82 116.57 107.06 3rpb h LYS 622 Ca 0.20 0.00 -0.43 0.00 -1.87 0.00 0.00 60.65 58.55 3rpb h LYS 622 Cb 0.41 0.00 0.19 0.00 0.08 0.00 0.00 32.23 32.91 3rpb h LYS 622 CO -0.78 0.00 0.07 0.15 -0.57 0.00 0.00 179.45 178.32 3rpb s LYS 623 N -4.13 -0.83 -0.26 3.15 -0.14 0.82 -4.83 119.74 113.52 3rpb s LYS 623 Ca -0.04 0.48 -0.01 0.00 -1.36 0.00 0.00 55.97 55.04 3rpb s LYS 623 Cb 0.13 -1.59 0.14 0.00 -1.68 0.00 0.00 37.83 34.82 3rpb s LYS 623 CO 0.44 -3.57 0.35 -1.12 -0.76 0.00 0.00 175.35 170.69 3rpb s SER 624 N -3.11 0.76 0.33 2.83 0.01 -1.02 -3.50 113.70 109.99 3rpb s SER 624 Ca 0.68 -0.24 -0.26 0.00 1.31 0.00 0.00 55.95 57.44 3rpb s SER 624 Cb -0.19 0.88 -0.10 0.00 0.21 0.00 0.00 66.02 66.83 3rpb s SER 624 CO 0.60 -0.34 0.97 -0.22 0.41 0.00 0.00 173.24 174.66 3rpb s LEU 625 N 2.48 4.34 -0.35 2.44 2.96 0.17 -1.34 118.68 129.38 3rpb s LEU 625 Ca 0.10 1.90 0.01 0.00 -0.22 0.00 0.00 54.13 55.92 3rpb s LEU 625 Cb -0.14 -3.99 0.11 0.00 0.50 0.00 0.00 46.19 42.66 3rpb s LEU 625 CO -0.24 -0.12 0.13 -0.62 -1.32 0.00 0.00 176.35 174.18 3rpb s ASP 626 N -1.54 4.04 -0.68 3.68 -1.08 -0.79 0.17 116.67 120.46 3rpb s ASP 626 Ca 0.50 -1.97 -0.20 0.00 -0.52 0.00 0.00 52.55 50.37 3rpb s ASP 626 Cb -0.20 -1.02 0.11 0.00 -1.46 0.00 0.00 42.92 40.35 3rpb s ASP 626 CO 0.26 -0.37 0.85 -0.63 0.52 0.00 0.00 175.17 175.80 3rpb s ILE 627 N 1.19 4.71 -0.14 4.11 1.09 -0.21 -2.63 121.20 129.32 3rpb s ILE 627 Ca 0.12 -1.00 -0.03 0.00 -1.10 0.00 0.00 60.65 58.65 3rpb s ILE 627 Cb -0.19 -4.59 -0.02 0.00 -1.06 0.00 0.00 42.46 36.59 3rpb s ILE 627 CO -0.16 -1.28 -0.06 -0.94 -0.10 0.00 0.00 174.94 172.40 3rpb s SER 628 N 3.56 4.61 -0.23 3.58 1.04 -0.03 -0.90 113.70 125.32 3rpb s SER 628 Ca 0.18 -0.17 -0.09 0.00 0.48 0.00 0.00 55.95 56.35 3rpb s SER 628 Cb -0.18 -1.70 -0.05 0.00 0.10 0.00 0.00 66.02 64.19 3rpb s SER 628 CO 0.04 0.18 0.13 -0.69 0.98 0.00 0.00 173.24 173.88 3rpb s VAL 629 N 0.27 5.09 0.07 5.02 1.01 0.28 0.07 120.40 132.22 3rpb s VAL 629 Ca -0.05 0.08 0.09 0.00 0.00 0.00 0.00 61.98 62.10 3rpb s VAL 629 Cb -0.14 -3.36 -0.03 0.00 0.00 0.00 0.00 36.38 32.85 3rpb s VAL 629 CO 0.04 0.37 -0.23 0.26 0.00 0.00 0.00 175.10 175.53 3rpb s TRP 630 N 1.01 2.02 -0.40 5.22 0.52 -0.12 -1.39 118.94 125.81 3rpb s TRP 630 Ca 0.06 -0.39 -0.25 0.00 0.02 0.00 0.00 56.10 55.53 3rpb s TRP 630 Cb -0.14 -1.17 0.02 0.00 -1.15 0.00 0.00 33.47 31.04 3rpb s TRP 630 CO 0.04 0.17 0.91 0.34 0.02 0.00 0.00 176.95 178.43 3rpb s ASP 631 N -1.51 6.61 0.88 2.95 -1.08 0.32 -1.00 116.67 123.85 3rpb s ASP 631 Ca 0.09 0.42 -0.11 0.00 -0.52 0.00 0.00 52.55 52.43 3rpb s ASP 631 Cb -0.10 -2.45 0.12 0.00 -1.46 0.00 0.00 42.92 39.03 3rpb s ASP 631 CO 0.03 -0.90 1.09 -0.47 0.52 0.00 0.00 175.17 175.44 3rpb s TYR 632 N 3.52 2.33 -0.29 -5.34 6.14 0.62 -0.09 117.35 124.25 3rpb s TYR 632 Ca 0.37 1.31 -0.14 0.00 0.64 0.00 0.00 57.07 59.25 3rpb s TYR 632 Cb -0.11 -3.15 0.10 0.00 0.42 0.00 0.00 41.96 39.22 3rpb s TYR 632 CO 0.21 -2.34 0.68 -0.51 0.64 0.00 0.00 175.55 174.23 3rpb s ASP 633 N -3.39 -1.02 -0.03 4.32 1.11 -1.26 -4.15 116.67 112.25 3rpb s ASP 633 Ca 0.63 1.53 -0.21 0.00 0.18 0.00 0.00 52.55 54.68 3rpb s ASP 633 Cb -0.18 1.76 -0.05 0.00 1.07 0.00 0.00 42.92 45.52 3rpb s ASP 633 CO 0.57 -0.23 0.59 0.27 1.18 0.00 0.00 175.17 177.55 3rpb s ILE 634 N 2.14 4.98 0.00 0.77 -0.00 -1.26 -3.82 121.20 124.02 3rpb s ILE 634 Ca -0.08 1.23 0.00 0.00 -0.00 0.00 0.00 60.65 61.79 3rpb s ILE 634 Cb -0.08 -3.93 0.00 0.00 -0.00 0.00 0.00 42.46 38.45 3rpb s ILE 634 CO -0.20 0.38 0.00 0.61 -0.00 0.00 0.00 174.94 175.73 3rpb n GLY 635 N 2.69 2.94 0.00 6.27 0.00 -1.26 -4.95 105.19 110.89 3rpb n GLY 635 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3rpb n GLY 635 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3rpb n LYS 636 N -2.00 1.16 -2.32 1.61 4.76 -1.25 -5.17 118.16 114.95 3rpb n LYS 636 Ca 0.00 0.00 -0.26 0.00 -2.87 0.00 0.00 58.31 55.18 3rpb n LYS 636 Cb 0.00 0.00 0.12 0.00 -1.84 0.00 0.00 35.03 33.31 3rpb n LYS 636 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3rpb s SER 637 N -0.01 4.12 0.44 4.39 1.04 -1.26 -4.73 113.70 117.70 3rpb s SER 637 Ca 0.00 0.01 0.06 0.00 0.48 0.00 0.00 55.95 56.50 3rpb s SER 637 Cb 0.00 -0.36 0.07 0.00 0.10 0.00 0.00 66.02 65.83 3rpb s SER 637 CO 0.00 -2.03 0.59 -0.46 0.98 0.00 0.00 173.24 172.32 3rpb n ASN 638 N -3.10 1.44 -4.06 7.02 6.94 -1.26 -4.15 115.26 118.09 3rpb n ASN 638 Ca 0.13 -2.07 -0.10 0.00 -0.02 0.00 0.00 54.58 52.53 3rpb n ASN 638 Cb 0.60 -0.32 -0.11 0.00 -2.36 0.00 0.00 39.78 37.59 3rpb n ASN 638 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 3rpb s ASP 639 N -3.62 0.61 -0.48 0.53 1.01 0.88 -4.95 116.67 110.65 3rpb s ASP 639 Ca 0.44 -0.74 -0.20 0.00 0.71 0.00 0.00 52.55 52.77 3rpb s ASP 639 Cb -0.03 0.11 0.04 0.00 1.01 0.00 0.00 42.92 44.05 3rpb s ASP 639 CO 0.28 -0.39 0.62 -0.47 0.21 0.00 0.00 175.17 175.42 3rpb s TYR 640 N -2.49 3.06 -0.00 4.23 6.14 -1.26 0.12 117.35 127.15 3rpb s TYR 640 Ca -0.03 -0.34 -0.09 0.00 0.64 0.00 0.00 57.07 57.24 3rpb s TYR 640 Cb -0.02 -3.41 -0.31 0.00 0.42 0.00 0.00 41.96 38.63 3rpb s TYR 640 CO -0.04 -0.95 0.86 0.82 0.64 0.00 0.00 175.55 176.88 3rpb h ILE 641 N 5.86 1.14 0.00 3.14 2.04 -1.66 -3.47 117.51 124.56 3rpb h ILE 641 Ca -0.27 -2.70 0.00 0.00 1.00 0.00 0.00 64.86 62.89 3rpb h ILE 641 Cb 1.10 2.85 0.00 0.00 -0.74 0.00 0.00 36.82 40.03 3rpb h ILE 641 CO 0.92 0.84 0.00 0.61 0.00 0.00 0.00 178.15 180.52 3rpb n GLY 642 N 1.73 3.75 0.51 5.37 0.00 -0.48 -4.73 105.19 111.35 3rpb n GLY 642 Ca -0.19 -1.29 -0.01 0.00 0.00 0.00 0.00 46.02 44.53 3rpb n GLY 642 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3rpb n GLY 643 N -1.61 1.75 3.33 -0.02 0.00 0.30 0.10 105.19 109.04 3rpb n GLY 643 Ca 0.00 -1.03 -0.13 0.00 0.00 0.00 0.00 46.02 44.86 3rpb n GLY 643 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3rpb s GLN 645 N -2.38 3.34 -0.42 0.00 -0.21 -1.26 -1.04 119.66 117.69 3rpb s GLN 645 Ca -0.06 -0.38 0.03 0.00 0.02 0.00 0.00 55.36 54.96 3rpb s GLN 645 Cb -0.01 -2.94 0.12 0.00 1.00 0.00 0.00 33.01 31.18 3rpb s GLN 645 CO -0.02 0.55 0.18 -0.51 -2.12 0.00 0.00 175.29 173.38 3rpb s LEU 646 N -0.45 3.50 0.03 2.90 1.43 0.44 -4.83 118.68 121.70 3rpb s LEU 646 Ca 0.09 -2.47 0.01 0.00 -1.03 0.00 0.00 54.13 50.72 3rpb s LEU 646 Cb -0.12 -1.30 -0.02 0.00 0.03 0.00 0.00 46.19 44.78 3rpb s LEU 646 CO 0.02 -0.31 -0.05 -0.83 0.23 0.00 0.00 176.35 175.42 3rpb s GLY 647 N 0.50 0.34 0.00 -3.19 0.00 -1.25 0.43 107.32 104.14 3rpb s GLY 647 Ca 0.15 -0.66 0.08 0.00 0.00 0.00 0.00 44.72 44.29 3rpb s GLY 647 CO -0.06 -0.73 1.24 4.51 0.00 0.00 0.00 173.10 178.07 3rpb n ILE 648 N 1.53 1.37 0.22 0.90 3.06 -1.06 -1.01 119.36 124.36 3rpb n ILE 648 Ca -0.23 0.34 0.06 0.00 -2.50 0.00 0.00 62.75 60.41 3rpb n ILE 648 Cb 0.55 -1.20 0.22 0.00 0.54 0.00 0.00 39.64 39.75 3rpb n ILE 648 CO 0.00 0.00 0.00 -0.24 -2.50 0.00 0.00 176.55 173.81 3rpb n SER 649 N -1.47 3.13 -2.48 9.51 2.88 -1.26 -4.90 113.62 119.02 3rpb n SER 649 Ca 0.02 -2.28 -0.04 0.00 -1.33 0.00 0.00 58.87 55.23 3rpb n SER 649 Cb 0.09 -0.46 0.02 0.00 -0.75 0.00 0.00 64.21 63.12 3rpb n SER 649 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3rpb n ALA 650 N 0.59 0.02 -3.42 -1.46 0.00 -0.18 -5.10 120.51 110.96 3rpb n ALA 650 Ca 0.16 -0.38 -0.13 0.00 0.00 0.00 0.00 53.44 53.10 3rpb n ALA 650 Cb 0.60 0.06 -0.13 0.00 0.00 0.00 0.00 19.45 19.99 3rpb n ALA 650 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 3rpb s LYS 651 N -2.93 0.22 0.00 0.00 -2.85 -1.26 -4.74 119.74 108.18 3rpb s LYS 651 Ca 0.13 0.41 0.00 0.00 -1.00 0.00 0.00 55.97 55.51 3rpb s LYS 651 Cb -0.01 -0.00 0.00 0.00 -2.06 0.00 0.00 37.83 35.76 3rpb s LYS 651 CO 0.09 -0.10 0.00 0.41 0.10 0.00 0.00 175.35 175.85 3rpb n GLY 652 N 3.60 1.06 0.27 0.59 0.00 -1.26 -4.46 105.19 104.99 3rpb n GLY 652 Ca -0.19 -0.83 -0.13 0.00 0.00 0.00 0.00 46.02 44.87 3rpb n GLY 652 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3rpb n GLU 653 N 0.00 0.35 -0.41 1.61 -0.58 -1.26 -4.22 120.64 116.13 3rpb n GLU 653 Ca 0.00 0.11 0.39 0.00 -0.42 0.00 0.00 57.16 57.24 3rpb n GLU 653 Cb 0.00 -1.19 0.66 0.00 -0.57 0.00 0.00 31.44 30.35 3rpb n GLU 653 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3rpb h ARG 654 N -0.25 0.00 0.07 3.49 3.08 -1.88 0.66 114.38 119.55 3rpb h ARG 654 Ca -0.36 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.46 3rpb h ARG 654 Cb 1.44 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.47 3rpb h ARG 654 CO -0.14 0.00 -1.22 1.25 -1.07 0.00 0.00 179.97 178.79 3rpb h LEU 655 N 0.00 0.24 0.49 3.04 5.85 -1.80 -3.11 115.31 120.03 3rpb h LEU 655 Ca 0.66 -0.79 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 3rpb h LEU 655 Cb 3.04 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 43.98 3rpb h LEU 655 CO -0.01 1.52 -0.38 0.07 -0.34 0.00 0.00 178.44 179.30 3rpb h LYS 656 N -0.54 -0.83 0.33 1.25 2.10 0.08 1.59 116.57 120.55 3rpb h LYS 656 Ca -0.28 0.06 -0.00 0.00 -2.00 0.00 0.00 60.65 58.42 3rpb h LYS 656 Cb 1.57 0.19 -0.01 0.00 -0.90 0.00 0.00 32.23 33.07 3rpb h LYS 656 CO -0.01 -0.55 -0.27 1.25 -2.00 0.00 0.00 179.45 177.87 3rpb h HIS 657 N -0.86 -0.71 0.50 0.07 2.76 -1.35 0.44 115.15 116.00 3rpb h HIS 657 Ca -0.05 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.09 3rpb h HIS 657 Cb 0.73 0.27 0.00 0.00 1.55 0.00 0.00 27.41 29.96 3rpb h HIS 657 CO -0.16 -0.40 -0.24 2.35 -1.30 0.00 0.00 177.93 178.18 3rpb h TRP 658 N -0.61 -0.62 0.28 5.26 2.91 -1.47 -2.76 115.95 118.95 3rpb h TRP 658 Ca -0.02 -0.01 -0.00 0.00 1.13 0.00 0.00 58.89 59.98 3rpb h TRP 658 Cb 0.53 0.21 -0.02 0.00 -0.51 0.00 0.00 29.16 29.36 3rpb h TRP 658 CO -0.14 -0.39 -0.40 -0.92 -1.03 0.00 0.00 178.44 175.56 3rpb h TYR 659 N -0.71 -1.13 -1.63 2.65 5.03 0.23 -0.89 116.97 120.52 3rpb h TYR 659 Ca -0.07 0.02 0.47 0.00 2.58 0.00 0.00 58.73 61.73 3rpb h TYR 659 Cb 0.51 0.45 -0.07 0.00 1.55 0.00 0.00 36.73 39.18 3rpb h TYR 659 CO 0.10 -0.50 1.21 1.05 -1.32 0.00 0.00 178.16 178.70 3rpb h GLU 660 N -0.71 0.00 -0.42 1.82 -0.00 -0.15 2.17 114.58 117.29 3rpb h GLU 660 Ca -0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.31 3rpb h GLU 660 Cb 0.65 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.38 3rpb h GLU 660 CO -0.11 0.00 0.21 0.00 -0.00 0.00 0.00 179.01 179.11 3rpb h LEU 662 N 0.53 0.02 0.08 0.00 4.07 0.37 0.91 115.31 121.29 3rpb h LEU 662 Ca 0.14 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 58.00 3rpb h LEU 662 Cb 0.10 -0.00 0.01 0.00 1.08 0.00 0.00 40.66 41.85 3rpb h LEU 662 CO -0.02 0.01 -0.45 0.11 -1.08 0.00 0.00 178.44 177.01 3rpb h LYS 663 N 0.03 0.17 -1.30 1.13 1.57 -0.89 -3.32 116.57 113.95 3rpb h LYS 663 Ca 0.21 -0.28 -0.67 0.00 -1.87 0.00 0.00 60.65 58.04 3rpb h LYS 663 Cb 0.83 0.11 -0.27 0.00 0.08 0.00 0.00 32.23 32.97 3rpb h LYS 663 CO -0.01 1.13 0.88 0.09 -0.57 0.00 0.00 179.45 180.98 3rpb n ASN 664 N -4.34 7.56 -0.03 0.86 3.02 0.15 -4.80 115.26 117.68 3rpb n ASN 664 Ca -0.12 -3.74 -0.01 0.00 -0.03 0.00 0.00 54.58 50.68 3rpb n ASN 664 Cb 0.67 -1.01 -0.01 0.00 -0.61 0.00 0.00 39.78 38.82 3rpb n ASN 664 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 3rpb h LYS 665 N 2.23 -0.01 -0.09 3.52 2.10 0.66 0.68 116.57 125.66 3rpb h LYS 665 Ca 0.57 0.00 0.03 0.00 -2.00 0.00 0.00 60.65 59.25 3rpb h LYS 665 Cb 0.62 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.95 3rpb h LYS 665 CO 1.49 -0.01 0.48 0.22 -2.00 0.00 0.00 179.45 179.63 3rpb h ASP 666 N -0.02 0.00 -3.01 7.07 1.82 -1.78 -2.15 116.42 118.35 3rpb h ASP 666 Ca 0.01 0.00 -0.61 0.00 -0.39 0.00 0.00 57.03 56.04 3rpb h ASP 666 Cb 0.05 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 39.99 3rpb h ASP 666 CO -0.08 0.00 -0.25 -0.54 -1.61 0.00 0.00 179.24 176.76 3rpb s LYS 667 N -4.17 3.92 -0.02 0.28 -0.14 0.24 -4.95 119.74 114.89 3rpb s LYS 667 Ca -0.03 0.30 -0.24 0.00 -1.36 0.00 0.00 55.97 54.64 3rpb s LYS 667 Cb 0.08 -3.26 -0.04 0.00 -1.68 0.00 0.00 37.83 32.94 3rpb s LYS 667 CO 0.28 0.61 0.71 -1.59 -0.76 0.00 0.00 175.35 174.60 3rpb s LYS 668 N -0.77 4.44 0.10 1.68 -2.85 -1.26 -4.52 119.74 116.57 3rpb s LYS 668 Ca 0.22 0.92 0.07 0.00 -1.00 0.00 0.00 55.97 56.18 3rpb s LYS 668 Cb -0.15 -3.41 -0.04 0.00 -2.06 0.00 0.00 37.83 32.17 3rpb s LYS 668 CO 0.11 0.17 -0.11 0.42 0.10 0.00 0.00 175.35 176.04 3rpb s ILE 669 N 0.42 3.32 -0.04 3.79 1.01 0.40 -4.92 121.20 125.18 3rpb s ILE 669 Ca 0.37 -1.28 -0.18 0.00 0.00 0.00 0.00 60.65 59.56 3rpb s ILE 669 Cb -0.19 -2.55 0.04 0.00 0.01 0.00 0.00 42.46 39.77 3rpb s ILE 669 CO 0.20 0.12 0.41 -1.83 0.00 0.00 0.00 174.94 173.83 3rpb s GLU 670 N -2.17 0.74 0.02 2.79 1.03 -1.26 0.26 118.70 120.11 3rpb s GLU 670 Ca 0.21 0.00 -0.29 0.00 0.03 0.00 0.00 54.97 54.92 3rpb s GLU 670 Cb -0.11 0.34 0.10 0.00 -0.80 0.00 0.00 34.13 33.66 3rpb s GLU 670 CO 0.13 -0.20 1.08 -0.98 -1.33 0.00 0.00 175.26 173.96 3rpb s ARG 671 N -1.12 0.75 -0.18 -4.83 1.04 -0.61 -4.98 118.95 109.02 3rpb s ARG 671 Ca -0.11 -0.37 -0.11 0.00 -1.04 0.00 0.00 55.73 54.10 3rpb s ARG 671 Cb -0.04 0.28 -0.05 0.00 -2.04 0.00 0.00 34.95 33.10 3rpb s ARG 671 CO 0.05 -0.34 0.17 -1.58 -0.04 0.00 0.00 175.30 173.57 3rpb s TRP 672 N -2.87 3.44 -0.14 5.89 0.52 -1.26 -0.63 118.94 123.90 3rpb s TRP 672 Ca 0.11 0.42 -0.03 0.00 0.02 0.00 0.00 56.10 56.63 3rpb s TRP 672 Cb 0.01 -2.18 -0.03 0.00 -1.15 0.00 0.00 33.47 30.12 3rpb s TRP 672 CO -0.03 0.33 -0.06 -1.01 0.02 0.00 0.00 176.95 176.20 3rpb s HIS 673 N 0.23 2.98 -0.63 -1.98 3.76 -0.64 -4.94 115.29 114.08 3rpb s HIS 673 Ca 0.11 -0.31 -0.27 0.00 -0.15 0.00 0.00 55.06 54.44 3rpb s HIS 673 Cb -0.12 -1.90 0.02 0.00 1.11 0.00 0.00 32.58 31.69 3rpb s HIS 673 CO 0.00 -0.01 1.37 1.14 -0.85 0.00 0.00 174.74 176.39 3rpb s GLN 674 N 0.19 3.24 0.10 1.40 -2.07 -1.26 -1.67 119.66 119.58 3rpb s GLN 674 Ca -0.03 0.19 -0.36 0.00 -1.82 0.00 0.00 55.36 53.34 3rpb s GLN 674 Cb -0.14 -4.15 -0.17 0.00 -1.09 0.00 0.00 33.01 27.47 3rpb s GLN 674 CO 0.03 -2.04 1.31 1.28 -1.32 0.00 0.00 175.29 174.55 3rpb n LEU 675 N 9.59 1.60 -4.47 2.60 4.77 -0.30 -4.78 117.00 126.01 3rpb n LEU 675 Ca 0.09 1.12 -0.23 0.00 -0.03 0.00 0.00 56.01 56.97 3rpb n LEU 675 Cb 0.49 -1.19 -0.10 0.00 -2.33 0.00 0.00 43.42 40.29 3rpb n LEU 675 CO 0.71 -1.10 -0.34 -1.10 -1.33 0.00 0.00 177.39 174.23 3rpb s GLN 676 N 0.35 1.65 -0.25 3.23 -0.21 0.14 -4.61 119.66 119.96 3rpb s GLN 676 Ca 0.83 -1.87 -0.10 0.00 0.02 0.00 0.00 55.36 54.25 3rpb s GLN 676 Cb -0.95 -1.24 -0.04 0.00 1.00 0.00 0.00 33.01 31.78 3rpb s GLN 676 CO 0.48 0.00 0.14 -0.80 -2.12 0.00 0.00 175.29 172.99 3rpb s ASN 677 N -3.50 5.82 0.00 5.90 0.02 -1.26 -0.54 114.94 121.37 3rpb s ASN 677 Ca 0.32 -0.01 0.00 0.00 -1.02 0.00 0.00 52.86 52.15 3rpb s ASN 677 Cb 0.05 -2.06 0.00 0.00 0.02 0.00 0.00 41.25 39.26 3rpb s ASN 677 CO 0.14 0.01 0.00 -0.62 0.02 0.00 0.00 177.10 176.65 3rpb n GLU 678 N 4.66 0.00 -0.32 -0.60 -0.58 -1.26 -5.06 120.64 117.48 3rpb n GLU 678 Ca -0.15 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.59 3rpb n GLU 678 Cb 0.52 -0.07 0.00 0.00 -0.57 0.00 0.00 31.44 31.32 3rpb n GLU 678 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 3rpb n ASN 679 N -1.46 0.00 -0.19 1.62 5.15 -1.26 -5.23 115.26 113.89 3rpb n ASN 679 Ca 0.00 -0.63 0.02 0.00 -0.60 0.00 0.00 54.58 53.37 3rpb n ASN 679 Cb 0.00 0.00 0.02 0.00 -0.53 0.00 0.00 39.78 39.27 3rpb n ASN 679 CO 0.00 0.00 0.00 1.57 1.40 0.00 0.00 177.26 180.23