#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 3.27 3.15 -0.13 0.00 0.36 -4.42 105.19 107.41 3rpb n GLY 542 Ca 0.00 -2.02 -0.25 0.00 0.00 0.00 0.00 46.02 43.75 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 -3.29 1.54 -0.14 1.61 1.02 0.27 -1.40 119.74 119.35 3rpb s LYS 543 Ca 0.23 -0.60 0.01 0.00 0.02 0.00 0.00 55.97 55.62 3rpb s LYS 543 Cb 0.01 -1.42 -0.00 0.00 -0.52 0.00 0.00 37.83 35.90 3rpb s LYS 543 CO 0.16 0.31 -0.16 -1.50 -0.92 0.00 0.00 175.35 173.24 3rpb s ILE 544 N -0.21 2.62 -0.09 2.17 -1.16 -0.65 0.13 121.20 124.01 3rpb s ILE 544 Ca 0.02 -0.79 -0.30 0.00 -0.51 0.00 0.00 60.65 59.07 3rpb s ILE 544 Cb -0.09 -2.09 -0.01 0.00 0.61 0.00 0.00 42.46 40.88 3rpb s ILE 544 CO 0.00 0.52 1.02 -0.22 -2.81 0.00 0.00 174.94 173.46 3rpb s LEU 545 N 0.69 4.26 -0.01 8.50 2.96 0.52 -1.80 118.68 133.80 3rpb s LEU 545 Ca -0.08 1.56 0.07 0.00 -0.22 0.00 0.00 54.13 55.46 3rpb s LEU 545 Cb -0.16 -3.56 -0.02 0.00 0.50 0.00 0.00 46.19 42.96 3rpb s LEU 545 CO 0.02 -0.44 -0.22 -0.69 -1.32 0.00 0.00 176.35 173.69 3rpb s VAL 546 N 1.95 1.73 0.02 1.68 1.01 0.33 -1.55 120.40 125.58 3rpb s VAL 546 Ca 0.49 -0.97 0.07 0.00 0.00 0.00 0.00 61.98 61.57 3rpb s VAL 546 Cb -0.19 -1.45 -0.03 0.00 0.00 0.00 0.00 36.38 34.71 3rpb s VAL 546 CO 0.19 0.46 -0.20 -0.55 0.00 0.00 0.00 175.10 175.00 3rpb s SER 547 N -0.60 3.65 0.19 3.32 0.15 0.60 -1.01 113.70 120.00 3rpb s SER 547 Ca 0.08 -0.43 0.06 0.00 0.70 0.00 0.00 55.95 56.37 3rpb s SER 547 Cb -0.08 -0.56 -0.05 0.00 -1.71 0.00 0.00 66.02 63.62 3rpb s SER 547 CO -0.00 0.27 -0.11 -0.76 1.20 0.00 0.00 173.24 173.84 3rpb s LEU 548 N -1.24 2.51 0.00 3.45 1.43 0.15 0.26 118.68 125.24 3rpb s LEU 548 Ca 0.13 -1.05 0.00 0.00 -1.03 0.00 0.00 54.13 52.18 3rpb s LEU 548 Cb -0.10 -0.52 0.00 0.00 0.03 0.00 0.00 46.19 45.59 3rpb s LEU 548 CO 0.03 -0.27 0.00 0.80 0.23 0.00 0.00 176.35 177.14 3rpb n MET 549 N -0.34 0.00 -2.88 1.70 1.56 -0.32 0.17 117.12 117.01 3rpb n MET 549 Ca -0.08 0.00 -0.41 0.00 -0.27 0.00 0.00 57.70 56.94 3rpb n MET 549 Cb 0.61 0.00 -0.04 0.00 2.15 0.00 0.00 33.22 35.94 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 3.65 -0.75 1.12 5.04 -0.78 -0.99 117.35 124.64 3rpb s TYR 550 Ca 0.00 1.50 -0.10 0.00 -2.44 0.00 0.00 57.07 56.02 3rpb s TYR 550 Cb 0.00 -2.95 0.20 0.00 0.35 0.00 0.00 41.96 39.56 3rpb s TYR 550 CO 0.00 0.08 0.65 0.45 -1.34 0.00 0.00 175.55 175.39 3rpb s SER 551 N 0.72 6.23 0.33 4.32 0.15 0.05 -1.78 113.70 123.73 3rpb s SER 551 Ca 0.44 -2.71 0.06 0.00 0.70 0.00 0.00 55.95 54.44 3rpb s SER 551 Cb -0.20 -2.09 0.70 0.00 -1.71 0.00 0.00 66.02 62.73 3rpb s SER 551 CO 0.24 -0.51 1.87 0.71 1.20 0.00 0.00 173.24 176.74 3rpb h THR 552 N 4.99 0.90 -0.67 6.45 1.35 -1.94 0.59 112.91 124.58 3rpb h THR 552 Ca 0.05 -0.28 0.14 0.00 -0.55 0.00 0.00 66.41 65.77 3rpb h THR 552 Cb 1.01 0.01 -0.10 0.00 -1.73 0.00 0.00 68.15 67.34 3rpb h THR 552 CO 0.75 0.15 0.15 -0.61 -0.25 0.00 0.00 175.52 175.71 3rpb h GLN 553 N 0.82 0.26 0.00 4.72 -0.00 -1.94 0.10 115.11 119.07 3rpb h GLN 553 Ca 0.45 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 59.08 3rpb h GLN 553 Cb 0.56 -0.06 0.00 0.00 0.00 0.00 0.00 27.48 27.98 3rpb h GLN 553 CO -0.21 0.17 -0.69 1.96 0.00 0.00 0.00 178.83 180.06 3rpb h GLN 554 N 0.27 0.00 -3.34 1.69 4.20 -1.55 -3.48 115.11 112.90 3rpb h GLN 554 Ca 0.37 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.91 3rpb h GLN 554 Cb 0.59 0.00 0.07 0.00 0.30 0.00 0.00 27.48 28.43 3rpb h GLN 554 CO -0.46 0.00 -0.32 0.41 -0.67 0.00 0.00 178.83 177.79 3rpb n GLY 555 N 1.30 0.21 3.67 3.46 0.00 0.19 -5.04 105.19 108.98 3rpb n GLY 555 Ca 0.03 -0.24 -0.09 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.30 0.53 -0.15 -0.02 0.00 -1.02 -4.04 107.32 99.32 3rpb s GLY 556 Ca 0.18 -0.84 -0.07 0.00 0.00 0.00 0.00 44.72 43.99 3rpb s GLY 556 CO 0.33 -0.52 0.09 -2.27 0.00 0.00 0.00 173.10 170.73 3rpb s LEU 557 N -3.04 4.03 -0.29 0.66 2.96 -0.86 -0.77 118.68 121.37 3rpb s LEU 557 Ca 0.20 0.23 -0.09 0.00 -0.22 0.00 0.00 54.13 54.26 3rpb s LEU 557 Cb -0.02 -2.00 -0.01 0.00 0.50 0.00 0.00 46.19 44.65 3rpb s LEU 557 CO 0.11 0.27 0.12 -0.63 -1.32 0.00 0.00 176.35 174.91 3rpb s ILE 558 N -0.22 4.49 0.11 6.68 -1.09 -0.16 0.25 121.20 131.25 3rpb s ILE 558 Ca 0.09 -0.36 -0.01 0.00 -2.23 0.00 0.00 60.65 58.14 3rpb s ILE 558 Cb -0.12 -3.24 -0.04 0.00 -1.58 0.00 0.00 42.46 37.48 3rpb s ILE 558 CO 0.01 0.15 0.28 -0.69 -1.23 0.00 0.00 174.94 173.46 3rpb s VAL 559 N 1.61 5.30 -0.22 2.92 1.01 -1.03 -1.17 120.40 128.82 3rpb s VAL 559 Ca 0.05 -0.30 -0.03 0.00 0.00 0.00 0.00 61.98 61.70 3rpb s VAL 559 Cb -0.17 -3.65 0.07 0.00 0.00 0.00 0.00 36.38 32.64 3rpb s VAL 559 CO 0.05 0.06 0.07 -0.83 0.00 0.00 0.00 175.10 174.45 3rpb s GLY 560 N -2.63 0.61 -0.73 4.51 0.00 0.71 0.23 107.32 110.02 3rpb s GLY 560 Ca 0.37 -0.76 -0.23 0.00 0.00 0.00 0.00 44.72 44.11 3rpb s GLY 560 CO 0.27 1.63 1.06 -0.42 0.00 0.00 0.00 173.10 175.65 3rpb s ILE 561 N 1.95 4.27 0.00 0.90 -1.09 0.44 0.22 121.20 127.89 3rpb s ILE 561 Ca 0.03 -0.44 0.00 0.00 -2.23 0.00 0.00 60.65 58.00 3rpb s ILE 561 Cb -0.17 -4.76 0.00 0.00 -1.58 0.00 0.00 42.46 35.96 3rpb s ILE 561 CO -0.15 -1.56 0.12 -0.38 -1.23 0.00 0.00 174.94 171.75 3rpb n ILE 562 N 5.99 0.00 -3.93 2.92 -0.00 -0.59 0.26 119.36 124.00 3rpb n ILE 562 Ca 0.03 0.30 -0.08 0.00 -0.00 0.00 0.00 62.75 63.01 3rpb n ILE 562 Cb 0.47 -0.67 -0.04 0.00 -0.00 0.00 0.00 39.64 39.40 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 -0.45 1.67 0.18 0.38 1.70 -1.23 0.26 118.95 121.47 3rpb s ARG 563 Ca 0.00 -1.14 0.07 0.00 -0.47 0.00 0.00 55.73 54.19 3rpb s ARG 563 Cb 0.00 0.54 -0.04 0.00 -0.57 0.00 0.00 34.95 34.87 3rpb s ARG 563 CO 0.00 -0.73 -0.14 0.00 -1.08 0.00 0.00 175.30 173.35 3rpb s VAL 565 N -2.81 0.04 -1.05 0.00 -7.23 0.34 -3.65 120.40 106.04 3rpb s VAL 565 Ca 0.19 -0.33 -0.00 0.00 -1.81 0.00 0.00 61.98 60.02 3rpb s VAL 565 Cb -0.01 -0.26 -0.01 0.00 0.56 0.00 0.00 36.38 36.66 3rpb s VAL 565 CO 0.05 -0.18 0.88 1.57 -0.31 0.00 0.00 175.10 177.11 3rpb n HIS 566 N 2.35 -1.95 -3.12 2.82 -0.00 -1.21 0.96 115.22 115.07 3rpb n HIS 566 Ca -0.17 0.82 -0.38 0.00 0.46 0.00 0.00 57.72 58.45 3rpb n HIS 566 Cb 0.58 -4.66 -0.06 0.00 -0.12 0.00 0.00 29.99 25.73 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 -5.78 4.47 0.80 0.27 1.43 -0.88 -0.49 118.68 118.49 3rpb s LEU 567 Ca 0.03 1.44 -0.13 0.00 -1.03 0.00 0.00 54.13 54.44 3rpb s LEU 567 Cb -0.00 -3.31 0.08 0.00 0.03 0.00 0.00 46.19 42.98 3rpb s LEU 567 CO 0.64 0.15 1.18 0.00 0.23 0.00 0.00 176.35 178.56 3rpb s ALA 568 N -1.30 1.91 -0.26 4.21 0.00 -1.26 -4.74 121.76 120.31 3rpb s ALA 568 Ca 0.37 0.76 -0.04 0.00 0.00 0.00 0.00 51.96 53.05 3rpb s ALA 568 Cb -0.19 -3.46 0.02 0.00 0.00 0.00 0.00 23.12 19.48 3rpb s ALA 568 CO 0.22 -2.18 -0.01 0.00 0.00 0.00 0.00 175.76 173.79 3rpb s ALA 569 N -2.25 2.85 -0.25 0.00 0.00 -1.26 -4.31 121.76 116.55 3rpb s ALA 569 Ca 0.71 -1.43 0.19 0.00 0.00 0.00 0.00 51.96 51.44 3rpb s ALA 569 Cb -0.27 -1.86 0.10 0.00 0.00 0.00 0.00 23.12 21.09 3rpb s ALA 569 CO 0.50 -0.82 1.30 0.52 0.00 0.00 0.00 175.76 177.27 3rpb h MET 570 N 8.10 0.00 -6.83 0.00 2.86 -1.63 -3.45 114.93 113.99 3rpb h MET 570 Ca -0.33 0.00 -0.50 0.00 -2.06 0.00 0.00 59.70 56.81 3rpb h MET 570 Cb 1.12 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.80 3rpb h MET 570 CO 0.59 0.21 0.07 -0.51 1.06 0.00 0.00 176.91 178.33 3rpb s ASP 571 N -6.04 6.37 0.00 1.22 1.11 -1.01 -4.96 116.67 113.36 3rpb s ASP 571 Ca 0.03 0.95 0.20 0.00 0.18 0.00 0.00 52.55 53.91 3rpb s ASP 571 Cb 0.07 -2.25 1.12 0.00 1.07 0.00 0.00 42.92 42.93 3rpb s ASP 571 CO 0.74 -0.46 1.62 0.00 1.18 0.00 0.00 175.17 178.25 3rpb n ALA 572 N -1.77 2.16 0.89 5.23 0.00 -1.26 -2.34 120.51 123.43 3rpb n ALA 572 Ca 0.01 -0.11 0.13 0.00 0.00 0.00 0.00 53.44 53.46 3rpb n ALA 572 Cb 0.55 -1.33 0.41 0.00 0.00 0.00 0.00 19.45 19.08 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 -1.15 0.36 0.00 0.00 3.02 -1.26 -4.91 115.26 111.33 3rpb n ASN 573 Ca 0.12 0.21 0.00 0.00 -0.03 0.00 0.00 54.58 54.88 3rpb n ASN 573 Cb 0.12 -0.20 0.00 0.00 -0.61 0.00 0.00 39.78 39.09 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 1.45 0.80 0.00 7.41 0.00 -0.99 -5.06 105.19 108.81 3rpb n GLY 574 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.17 0.00 -3.78 1.61 4.02 -1.26 -4.54 117.16 111.04 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 0.43 -1.01 0.00 0.00 176.86 176.28 3rpb n SER 576 N -1.00 -2.09 -2.87 7.72 7.64 -1.26 -1.52 113.62 120.24 3rpb n SER 576 Ca 0.00 -2.54 -0.23 0.00 1.01 0.00 0.00 58.87 57.10 3rpb n SER 576 Cb 0.00 3.50 -0.02 0.00 -1.01 0.00 0.00 64.21 66.68 3rpb n SER 576 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3rpb n ASP 577 N -1.52 3.40 -4.77 6.43 9.92 -1.26 0.88 116.55 129.64 3rpb n ASP 577 Ca -0.07 -3.44 -0.38 0.00 -0.53 0.00 0.00 54.79 50.36 3rpb n ASP 577 Cb 0.56 -0.55 0.00 0.00 -0.64 0.00 0.00 41.12 40.49 3rpb n ASP 577 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 3rpb s PRO 578 N -3.22 3.74 0.08 -0.24 0.04 -1.18 0.23 135.00 134.45 3rpb s PRO 578 Ca 0.45 1.98 -0.04 0.00 0.04 0.00 0.00 61.00 63.43 3rpb s PRO 578 Cb 0.34 -2.52 -0.03 0.00 0.04 0.00 0.00 34.50 32.33 3rpb s PRO 578 CO -0.12 -0.63 0.06 -0.59 0.04 0.00 0.00 177.00 175.77 3rpb s PHE 579 N -1.40 0.45 -0.07 0.56 -0.71 0.27 -1.21 117.98 115.88 3rpb s PHE 579 Ca 0.62 -0.93 0.02 0.00 -1.04 0.00 0.00 56.93 55.60 3rpb s PHE 579 Cb -0.34 -0.29 -0.02 0.00 -1.21 0.00 0.00 43.02 41.16 3rpb s PHE 579 CO 0.42 -0.47 -0.13 0.08 -1.34 0.00 0.00 175.22 173.78 3rpb s VAL 580 N -3.92 3.16 -0.09 -2.49 1.01 -1.26 -0.89 120.40 115.91 3rpb s VAL 580 Ca 0.09 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.42 3rpb s VAL 580 Cb 0.07 -2.26 -0.01 0.00 0.00 0.00 0.00 36.38 34.17 3rpb s VAL 580 CO -0.08 0.58 -0.17 -0.54 0.00 0.00 0.00 175.10 174.88 3rpb s LYS 581 N -0.51 2.99 -0.05 2.72 1.02 0.40 0.10 119.74 126.42 3rpb s LYS 581 Ca 0.07 -0.76 0.06 0.00 0.02 0.00 0.00 55.97 55.36 3rpb s LYS 581 Cb -0.12 -2.44 -0.01 0.00 -0.52 0.00 0.00 37.83 34.74 3rpb s LYS 581 CO 0.02 0.32 -0.25 -0.51 -0.92 0.00 0.00 175.35 174.01 3rpb s LEU 582 N 0.03 2.09 -0.16 3.17 1.02 -0.88 0.05 118.68 124.01 3rpb s LEU 582 Ca -0.06 -0.49 -0.04 0.00 0.02 0.00 0.00 54.13 53.55 3rpb s LEU 582 Cb -0.15 -1.37 0.08 0.00 0.02 0.00 0.00 46.19 44.77 3rpb s LEU 582 CO 0.05 0.26 0.23 0.86 0.02 0.00 0.00 176.35 177.77 3rpb s TRP 583 N -0.27 -0.32 -0.37 0.29 -0.00 -0.80 0.18 118.94 117.66 3rpb s TRP 583 Ca -0.00 0.55 -0.19 0.00 -0.00 0.00 0.00 56.10 56.45 3rpb s TRP 583 Cb -0.13 -0.23 0.00 0.00 -0.00 0.00 0.00 33.47 33.12 3rpb s TRP 583 CO 0.03 -0.47 0.58 -1.17 -0.00 0.00 0.00 176.95 175.91 3rpb s LEU 584 N 2.36 4.37 0.28 5.86 2.96 -1.24 -0.50 118.68 132.76 3rpb s LEU 584 Ca 0.05 -0.05 0.11 0.00 -0.22 0.00 0.00 54.13 54.01 3rpb s LEU 584 Cb -0.14 -2.67 -0.05 0.00 0.50 0.00 0.00 46.19 43.83 3rpb s LEU 584 CO -0.10 -0.58 -0.10 -1.59 -1.32 0.00 0.00 176.35 172.66 3rpb s LYS 585 N 2.57 1.98 -0.38 1.98 -2.85 -0.39 -2.82 119.74 119.82 3rpb s LYS 585 Ca 0.21 -1.61 -0.28 0.00 -1.00 0.00 0.00 55.97 53.29 3rpb s LYS 585 Cb -0.15 -1.96 -0.02 0.00 -2.06 0.00 0.00 37.83 33.65 3rpb s LYS 585 CO 0.15 0.33 1.76 -1.25 0.10 0.00 0.00 175.35 176.44 3rpb s PRO 586 N -3.60 3.26 0.35 1.78 0.04 -1.26 0.26 135.00 135.84 3rpb s PRO 586 Ca 0.31 1.25 -0.27 0.00 0.04 0.00 0.00 61.00 62.33 3rpb s PRO 586 Cb -0.05 -4.20 -0.12 0.00 0.04 0.00 0.00 34.50 30.16 3rpb s PRO 586 CO 0.17 -1.94 1.25 -0.40 0.04 0.00 0.00 177.00 176.12 3rpb n ASP 587 N 10.46 2.54 0.14 6.66 5.75 -1.13 -4.89 116.55 136.08 3rpb n ASP 587 Ca 0.22 1.18 0.13 0.00 -0.01 0.00 0.00 54.79 56.31 3rpb n ASP 587 Cb 0.48 -1.46 0.36 0.00 -1.03 0.00 0.00 41.12 39.46 3rpb n ASP 587 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3rpb h MET 588 N 2.38 0.00 0.00 0.11 -0.00 -1.97 -3.47 114.93 111.98 3rpb h MET 588 Ca -0.46 0.00 -0.23 0.00 -0.00 0.00 0.00 59.70 59.01 3rpb h MET 588 Cb 1.29 0.00 -0.06 0.00 -0.00 0.00 0.00 31.60 32.84 3rpb h MET 588 CO 0.62 0.00 -0.14 0.41 -0.00 0.00 0.00 176.91 177.79 3rpb n GLY 589 N 1.19 2.46 1.72 -3.00 0.00 -1.26 -5.03 105.19 101.26 3rpb n GLY 589 Ca 0.05 -1.59 -0.06 0.00 0.00 0.00 0.00 46.02 44.41 3rpb n GLY 589 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3rpb n LYS 590 N -0.45 2.90 0.00 1.61 4.81 -1.26 -3.85 118.16 121.93 3rpb n LYS 590 Ca 0.01 -2.27 0.00 0.00 -0.87 0.00 0.00 58.31 55.18 3rpb n LYS 590 Cb 0.45 -1.97 0.00 0.00 0.02 0.00 0.00 35.03 33.53 3rpb n LYS 590 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 3rpb n LYS 591 N -0.13 1.35 0.30 1.64 4.76 -1.26 -4.69 118.16 120.14 3rpb n LYS 591 Ca 0.32 -1.02 0.20 0.00 -2.87 0.00 0.00 58.31 54.95 3rpb n LYS 591 Cb 1.16 -0.92 1.03 0.00 -1.84 0.00 0.00 35.03 34.46 3rpb n LYS 591 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3rpb h ALA 592 N 0.00 1.00 -2.73 7.82 0.00 -1.92 -3.42 119.26 120.02 3rpb h ALA 592 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.41 3rpb h ALA 592 Cb 0.40 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3rpb h ALA 592 CO 0.00 0.00 0.40 0.15 0.00 0.00 0.00 179.25 179.80 3rpb s LYS 593 N -3.97 4.74 0.39 0.00 3.01 -1.25 -3.72 119.74 118.95 3rpb s LYS 593 Ca -0.03 1.60 0.05 0.00 -1.01 0.00 0.00 55.97 56.58 3rpb s LYS 593 Cb 0.11 -3.27 -0.02 0.00 -1.01 0.00 0.00 37.83 33.64 3rpb s LYS 593 CO 0.42 0.34 0.17 -1.01 0.51 0.00 0.00 175.35 175.78 3rpb s HIS 594 N -0.89 1.77 -0.28 3.18 3.76 0.48 -4.90 115.29 118.40 3rpb s HIS 594 Ca 0.44 -1.40 -0.15 0.00 -0.15 0.00 0.00 55.06 53.80 3rpb s HIS 594 Cb -0.28 -1.04 0.09 0.00 1.11 0.00 0.00 32.58 32.46 3rpb s HIS 594 CO 0.35 -0.46 0.70 -1.59 -0.85 0.00 0.00 174.74 172.89 3rpb s LYS 595 N -3.64 0.68 0.63 1.40 0.00 -1.25 -2.07 119.74 115.50 3rpb s LYS 595 Ca 0.27 1.23 -0.04 0.00 0.00 0.00 0.00 55.97 57.43 3rpb s LYS 595 Cb 0.02 0.22 0.04 0.00 0.00 0.00 0.00 37.83 38.11 3rpb s LYS 595 CO 0.18 -0.15 0.92 0.95 0.00 0.00 0.00 175.35 177.24 3rpb s THR 596 N 1.76 2.69 0.85 3.79 -4.23 0.28 -4.96 115.64 115.82 3rpb s THR 596 Ca -0.10 -0.33 -0.16 0.00 -1.18 0.00 0.00 61.69 59.92 3rpb s THR 596 Cb -0.06 -3.10 -0.09 0.00 1.34 0.00 0.00 72.50 70.59 3rpb s THR 596 CO -0.20 -0.10 -0.18 0.00 -0.54 0.00 0.00 174.62 173.61 3rpb n GLN 597 N -2.68 0.00 -3.16 3.99 1.13 -1.26 -4.37 117.38 111.03 3rpb n GLN 597 Ca 0.07 0.02 -0.40 0.00 -1.94 0.00 0.00 57.00 54.76 3rpb n GLN 597 Cb 0.60 -1.34 -0.06 0.00 0.11 0.00 0.00 30.24 29.55 3rpb n GLN 597 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3rpb s ILE 598 N -2.06 5.06 -1.19 5.09 -1.09 -1.26 -4.52 121.20 121.24 3rpb s ILE 598 Ca 0.51 1.13 -0.08 0.00 -2.23 0.00 0.00 60.65 59.98 3rpb s ILE 598 Cb -0.28 -3.91 0.23 0.00 -1.58 0.00 0.00 42.46 36.92 3rpb s ILE 598 CO 0.72 0.16 1.61 0.29 -1.23 0.00 0.00 174.94 176.49 3rpb n LYS 599 N 4.71 3.88 -1.69 2.79 4.01 -0.35 -5.00 118.16 126.52 3rpb n LYS 599 Ca -0.03 -4.02 -0.38 0.00 -0.51 0.00 0.00 58.31 53.37 3rpb n LYS 599 Cb 0.50 -2.76 0.06 0.00 -0.51 0.00 0.00 35.03 32.32 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 3.09 1.15 -3.73 1.97 4.76 -1.26 -3.10 118.16 121.04 3rpb n LYS 600 Ca 0.33 0.44 -0.24 0.00 -2.87 0.00 0.00 58.31 55.97 3rpb n LYS 600 Cb 0.36 -2.40 0.00 0.00 -1.84 0.00 0.00 35.03 31.16 3rpb n LYS 600 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3rpb n LYS 601 N -1.36 -1.38 0.00 1.97 4.76 0.06 -4.85 118.16 117.36 3rpb n LYS 601 Ca 0.14 0.65 0.00 0.00 -2.87 0.00 0.00 58.31 56.23 3rpb n LYS 601 Cb 0.47 -2.06 0.00 0.00 -1.84 0.00 0.00 35.03 31.60 3rpb n LYS 601 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 3rpb n THR 602 N -2.61 0.00 0.12 -0.18 5.66 0.25 -4.85 114.28 112.67 3rpb n THR 602 Ca -0.30 0.00 0.01 0.00 -3.05 0.00 0.00 64.05 60.72 3rpb n THR 602 Cb 0.64 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.40 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 0.12 -2.51 1.09 4.77 -1.26 -4.04 117.00 115.16 3rpb n LEU 603 Ca 0.00 -0.41 -0.18 0.00 -0.03 0.00 0.00 56.01 55.39 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 0.07 0.59 -1.33 0.00 0.00 177.39 176.75 3rpb n ASN 604 N -1.16 3.34 -3.37 -1.43 3.02 -1.26 -2.08 115.26 112.32 3rpb n ASN 604 Ca 0.00 -3.21 -0.21 0.00 -0.03 0.00 0.00 54.58 51.13 3rpb n ASN 604 Cb 0.05 -0.47 0.15 0.00 -0.61 0.00 0.00 39.78 38.91 3rpb n ASN 604 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3rpb n PRO 605 N -0.39 -1.06 -3.82 3.52 -0.04 -1.24 -4.84 135.00 127.13 3rpb n PRO 605 Ca 0.27 -1.47 -0.27 0.00 -0.04 0.00 0.00 63.50 61.99 3rpb n PRO 605 Cb 0.77 -1.01 -0.17 0.00 -0.04 0.00 0.00 33.50 33.06 3rpb n PRO 605 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3rpb s GLU 606 N -5.08 1.03 -0.14 0.54 2.12 -1.26 -2.37 118.70 113.53 3rpb s GLU 606 Ca 0.54 -0.35 -0.28 0.00 0.36 0.00 0.00 54.97 55.24 3rpb s GLU 606 Cb -0.02 -1.80 -0.25 0.00 0.26 0.00 0.00 34.13 32.32 3rpb s GLU 606 CO 0.38 -0.46 0.74 0.74 -0.54 0.00 0.00 175.26 176.12 3rpb h PHE 607 N 8.20 0.00 -6.64 5.30 0.04 0.34 -3.47 116.94 120.71 3rpb h PHE 607 Ca -0.21 0.00 -0.53 0.00 2.80 0.00 0.00 57.97 60.03 3rpb h PHE 607 Cb 1.12 0.00 -0.09 0.00 2.20 0.00 0.00 35.95 39.18 3rpb h PHE 607 CO 0.41 0.97 -0.91 0.27 -0.60 0.00 0.00 178.31 178.44 3rpb n ASN 608 N -4.62 -0.12 -4.56 2.17 6.94 0.73 -4.89 115.26 110.92 3rpb n ASN 608 Ca -0.10 -1.08 -0.34 0.00 -0.02 0.00 0.00 54.58 53.05 3rpb n ASN 608 Cb 0.46 -2.68 -0.11 0.00 -2.36 0.00 0.00 39.78 35.09 3rpb n ASN 608 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 3rpb s GLU 609 N -6.76 3.04 -0.28 -3.83 0.41 0.36 -4.91 118.70 106.73 3rpb s GLU 609 Ca 0.02 -0.54 -0.06 0.00 -0.41 0.00 0.00 54.97 53.98 3rpb s GLU 609 Cb -0.01 -2.69 0.01 0.00 -1.78 0.00 0.00 34.13 29.66 3rpb s GLU 609 CO 0.92 0.53 0.05 -1.21 -0.49 0.00 0.00 175.26 175.06 3rpb s GLU 610 N -0.45 3.12 0.60 1.61 2.02 -1.26 0.17 118.70 124.50 3rpb s GLU 610 Ca 0.07 -0.83 0.06 0.00 0.02 0.00 0.00 54.97 54.29 3rpb s GLU 610 Cb -0.12 -3.28 0.09 0.00 0.10 0.00 0.00 34.13 30.92 3rpb s GLU 610 CO 0.02 -0.40 0.83 -0.06 0.02 0.00 0.00 175.26 175.68 3rpb s PHE 611 N 1.48 1.69 -0.09 1.61 0.40 0.62 -4.92 117.98 118.77 3rpb s PHE 611 Ca 0.03 -0.51 -0.04 0.00 -0.60 0.00 0.00 56.93 55.81 3rpb s PHE 611 Cb -0.17 -2.51 0.05 0.00 0.51 0.00 0.00 43.02 40.90 3rpb s PHE 611 CO 0.01 -1.24 0.19 0.12 0.70 0.00 0.00 175.22 175.00 3rpb s PHE 612 N -2.79 -0.25 0.18 0.36 5.36 -1.26 -2.47 117.98 117.11 3rpb s PHE 612 Ca 0.62 0.67 0.07 0.00 -0.96 0.00 0.00 56.93 57.32 3rpb s PHE 612 Cb -0.06 -0.08 -0.04 0.00 -0.34 0.00 0.00 43.02 42.50 3rpb s PHE 612 CO 0.40 -0.23 0.06 0.71 -1.46 0.00 0.00 175.22 174.70 3rpb s TYR 613 N 1.62 2.97 -0.78 10.12 1.51 0.70 -4.93 117.35 128.56 3rpb s TYR 613 Ca -0.05 -0.09 0.02 0.00 -1.01 0.00 0.00 57.07 55.94 3rpb s TYR 613 Cb -0.11 -1.42 0.32 0.00 -0.11 0.00 0.00 41.96 40.64 3rpb s TYR 613 CO -0.07 0.52 1.28 -0.25 -1.11 0.00 0.00 175.55 175.92 3rpb n ASP 614 N -0.31 5.57 -4.22 2.29 8.00 -1.26 -2.02 116.55 124.60 3rpb n ASP 614 Ca -0.09 -3.65 -0.25 0.00 0.71 0.00 0.00 54.79 51.51 3rpb n ASP 614 Cb 0.55 -0.84 -0.15 0.00 -0.02 0.00 0.00 41.12 40.67 3rpb n ASP 614 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3rpb s ILE 615 N -4.10 1.57 0.20 0.53 1.10 -1.26 -5.01 121.20 114.23 3rpb s ILE 615 Ca 0.43 -1.03 -0.30 0.00 -0.51 0.00 0.00 60.65 59.24 3rpb s ILE 615 Cb 0.22 -1.34 -0.08 0.00 0.15 0.00 0.00 42.46 41.40 3rpb s ILE 615 CO -0.10 0.28 1.22 -0.54 -2.11 0.00 0.00 174.94 173.69 3rpb s LYS 616 N -0.88 4.47 0.22 3.50 1.02 -1.26 -3.94 119.74 122.87 3rpb s LYS 616 Ca 0.07 1.93 -0.11 0.00 0.02 0.00 0.00 55.97 57.88 3rpb s LYS 616 Cb -0.08 -3.22 0.31 0.00 -0.52 0.00 0.00 37.83 34.32 3rpb s LYS 616 CO 0.01 -0.12 1.63 1.25 -0.92 0.00 0.00 175.35 177.19 3rpb h HIS 617 N 5.13 -0.25 0.00 3.18 -0.00 -1.94 0.98 115.15 122.25 3rpb h HIS 617 Ca -0.45 0.06 0.00 0.00 -0.00 0.00 0.00 60.37 59.98 3rpb h HIS 617 Cb 1.21 0.22 0.00 0.00 -0.00 0.00 0.00 27.41 28.84 3rpb h HIS 617 CO 0.62 -0.27 0.00 0.45 -0.00 0.00 0.00 177.93 178.73 3rpb n SER 618 N -5.41 0.26 -0.05 3.26 2.88 -1.26 -1.39 113.62 111.90 3rpb n SER 618 Ca 0.10 0.62 -0.03 0.00 -1.33 0.00 0.00 58.87 58.23 3rpb n SER 618 Cb 0.38 -0.65 -0.11 0.00 -0.75 0.00 0.00 64.21 63.08 3rpb n SER 618 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3rpb n ASP 619 N -1.85 1.67 -0.08 -3.46 9.92 0.31 -4.68 116.55 118.39 3rpb n ASP 619 Ca -0.01 0.00 -0.02 0.00 -0.53 0.00 0.00 54.79 54.23 3rpb n ASP 619 Cb 0.02 1.08 -0.02 0.00 -0.64 0.00 0.00 41.12 41.56 3rpb n ASP 619 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3rpb n LEU 620 N -2.35 -0.19 -0.33 0.64 4.77 0.76 0.11 117.00 120.41 3rpb n LEU 620 Ca -0.16 0.95 0.28 0.00 -0.03 0.00 0.00 56.01 57.05 3rpb n LEU 620 Cb 0.77 -0.36 0.52 0.00 -2.33 0.00 0.00 43.42 42.03 3rpb n LEU 620 CO 0.29 -0.58 1.06 0.00 -1.33 0.00 0.00 177.39 176.84 3rpb h ALA 621 N -0.54 2.02 0.00 -1.18 0.00 -1.84 2.28 119.26 120.00 3rpb h ALA 621 Ca 0.03 0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3rpb h ALA 621 Cb 0.07 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3rpb h ALA 621 CO -0.17 -0.79 0.00 0.87 0.00 0.00 0.00 179.25 179.16 3rpb h LYS 622 N 0.12 0.00 -7.26 0.00 6.56 0.48 -3.23 116.57 113.23 3rpb h LYS 622 Ca 0.79 0.00 -0.47 0.00 -1.06 0.00 0.00 60.65 59.91 3rpb h LYS 622 Cb 1.96 0.00 0.10 0.00 -0.57 0.00 0.00 32.23 33.72 3rpb h LYS 622 CO -0.72 0.00 0.17 0.15 -2.06 0.00 0.00 179.45 177.00 3rpb s LYS 623 N -3.39 1.30 -0.23 3.15 -0.14 0.77 -4.36 119.74 116.84 3rpb s LYS 623 Ca 0.03 -1.13 -0.03 0.00 -1.36 0.00 0.00 55.97 53.47 3rpb s LYS 623 Cb 0.09 -2.24 0.12 0.00 -1.68 0.00 0.00 37.83 34.13 3rpb s LYS 623 CO 0.40 -1.76 0.37 -1.12 -0.76 0.00 0.00 175.35 172.47 3rpb s SER 624 N -4.84 0.25 -0.37 2.83 0.01 0.74 -3.67 113.70 108.65 3rpb s SER 624 Ca 0.70 0.31 -0.29 0.00 1.31 0.00 0.00 55.95 57.98 3rpb s SER 624 Cb -0.04 1.08 0.02 0.00 0.21 0.00 0.00 66.02 67.30 3rpb s SER 624 CO 0.47 -0.29 1.13 -0.22 0.41 0.00 0.00 173.24 174.74 3rpb s LEU 625 N 2.54 3.82 -0.48 2.44 2.96 0.50 -1.27 118.68 129.19 3rpb s LEU 625 Ca 0.10 0.87 -0.17 0.00 -0.22 0.00 0.00 54.13 54.71 3rpb s LEU 625 Cb -0.15 -3.55 0.07 0.00 0.50 0.00 0.00 46.19 43.06 3rpb s LEU 625 CO -0.15 -1.04 0.47 -0.62 -1.32 0.00 0.00 176.35 173.70 3rpb s ASP 626 N 2.09 6.17 -0.44 3.68 2.15 0.34 0.27 116.67 130.94 3rpb s ASP 626 Ca 0.48 -1.19 -0.18 0.00 0.43 0.00 0.00 52.55 52.09 3rpb s ASP 626 Cb -0.11 -2.22 0.03 0.00 -0.30 0.00 0.00 42.92 40.32 3rpb s ASP 626 CO 0.22 -0.73 0.50 -0.63 -0.17 0.00 0.00 175.17 174.36 3rpb s ILE 627 N 1.98 5.02 0.08 4.11 1.09 0.27 -1.90 121.20 131.85 3rpb s ILE 627 Ca 0.08 -0.38 0.07 0.00 -1.10 0.00 0.00 60.65 59.32 3rpb s ILE 627 Cb -0.23 -4.12 -0.04 0.00 -1.06 0.00 0.00 42.46 37.02 3rpb s ILE 627 CO 0.08 -0.53 -0.16 -0.44 -0.10 0.00 0.00 174.94 173.79 3rpb s SER 628 N 2.07 3.99 -0.16 3.58 0.01 0.11 0.14 113.70 123.45 3rpb s SER 628 Ca 0.13 -0.45 0.01 0.00 1.31 0.00 0.00 55.95 56.95 3rpb s SER 628 Cb -0.18 -0.66 0.02 0.00 0.21 0.00 0.00 66.02 65.42 3rpb s SER 628 CO 0.13 0.22 -0.16 -0.69 0.41 0.00 0.00 173.24 173.15 3rpb s VAL 629 N -1.06 1.71 0.04 3.43 1.01 0.46 0.15 120.40 126.15 3rpb s VAL 629 Ca 0.17 -0.72 0.09 0.00 0.00 0.00 0.00 61.98 61.52 3rpb s VAL 629 Cb -0.11 -1.58 -0.03 0.00 0.00 0.00 0.00 36.38 34.66 3rpb s VAL 629 CO 0.09 0.48 -0.25 0.26 0.00 0.00 0.00 175.10 175.68 3rpb s TRP 630 N 1.41 2.37 -0.37 5.22 0.52 -0.07 -1.00 118.94 127.02 3rpb s TRP 630 Ca 0.05 -0.38 -0.26 0.00 0.02 0.00 0.00 56.10 55.53 3rpb s TRP 630 Cb -0.13 -1.41 0.02 0.00 -1.15 0.00 0.00 33.47 30.80 3rpb s TRP 630 CO -0.11 0.15 0.91 0.34 0.02 0.00 0.00 176.95 178.27 3rpb s ASP 631 N -1.28 6.66 0.82 2.95 -1.08 0.57 -0.57 116.67 124.74 3rpb s ASP 631 Ca 0.12 0.53 -0.11 0.00 -0.52 0.00 0.00 52.55 52.57 3rpb s ASP 631 Cb -0.10 -2.46 0.08 0.00 -1.46 0.00 0.00 42.92 38.98 3rpb s ASP 631 CO 0.03 -0.86 1.09 -0.47 0.52 0.00 0.00 175.17 175.48 3rpb s TYR 632 N 3.46 2.53 -0.29 -5.34 6.14 0.63 -0.65 117.35 123.83 3rpb s TYR 632 Ca 0.37 1.39 -0.14 0.00 0.64 0.00 0.00 57.07 59.34 3rpb s TYR 632 Cb -0.12 -3.09 0.10 0.00 0.42 0.00 0.00 41.96 39.27 3rpb s TYR 632 CO 0.19 -2.00 0.68 -0.51 0.64 0.00 0.00 175.55 174.55 3rpb s ASP 633 N -3.47 -1.02 0.02 4.32 1.01 -1.26 -4.04 116.67 112.22 3rpb s ASP 633 Ca 0.62 1.54 -0.22 0.00 0.71 0.00 0.00 52.55 55.20 3rpb s ASP 633 Cb -0.17 1.73 -0.06 0.00 1.01 0.00 0.00 42.92 45.44 3rpb s ASP 633 CO 0.56 -0.23 0.64 0.27 0.21 0.00 0.00 175.17 176.62 3rpb s ILE 634 N 2.11 4.84 0.00 0.77 -0.00 -1.26 -3.79 121.20 123.87 3rpb s ILE 634 Ca -0.09 1.36 0.00 0.00 -0.00 0.00 0.00 60.65 61.92 3rpb s ILE 634 Cb -0.08 -3.98 0.00 0.00 -0.00 0.00 0.00 42.46 38.40 3rpb s ILE 634 CO -0.20 0.42 0.00 0.61 -0.00 0.00 0.00 174.94 175.77 3rpb n GLY 635 N 2.36 2.84 0.00 6.27 0.00 -1.26 -4.94 105.19 110.46 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 1.27 -3.13 1.61 5.02 -1.25 -5.16 118.16 114.53 3rpb n LYS 636 Ca 0.00 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.03 3rpb n LYS 636 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.00 3rpb n LYS 636 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3rpb s SER 637 N -0.10 6.33 0.41 4.39 0.15 -1.26 -4.77 113.70 118.85 3rpb s SER 637 Ca 0.00 0.68 0.00 0.00 0.70 0.00 0.00 55.95 57.33 3rpb s SER 637 Cb 0.00 -2.13 0.00 0.00 -1.71 0.00 0.00 66.02 62.18 3rpb s SER 637 CO 0.00 -0.36 0.00 0.59 1.20 0.00 0.00 173.24 174.67 3rpb n ASN 638 N -1.71 -0.35 -3.62 5.45 4.13 -1.26 -4.47 115.26 113.43 3rpb n ASN 638 Ca -0.02 -0.23 -0.14 0.00 1.68 0.00 0.00 54.58 55.86 3rpb n ASN 638 Cb 0.55 0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 38.72 3rpb n ASN 638 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 3rpb s ASP 639 N -1.42 -0.73 -0.14 6.41 1.11 0.17 -4.94 116.67 117.12 3rpb s ASP 639 Ca 0.00 1.36 -0.29 0.00 0.18 0.00 0.00 52.55 53.79 3rpb s ASP 639 Cb 0.00 1.36 -0.01 0.00 1.07 0.00 0.00 42.92 45.34 3rpb s ASP 639 CO 0.00 -0.28 1.02 -0.47 1.18 0.00 0.00 175.17 176.61 3rpb s TYR 640 N 0.21 3.46 -0.22 4.23 5.04 -1.26 0.21 117.35 129.03 3rpb s TYR 640 Ca -0.01 1.56 0.06 0.00 -2.44 0.00 0.00 57.07 56.24 3rpb s TYR 640 Cb -0.04 -3.21 -0.18 0.00 0.35 0.00 0.00 41.96 38.88 3rpb s TYR 640 CO 0.02 -0.30 -0.12 -0.89 -1.34 0.00 0.00 175.55 172.92 3rpb n ILE 641 N 4.77 1.31 0.00 3.14 5.41 -0.30 -4.81 119.36 128.89 3rpb n ILE 641 Ca 0.10 -0.60 0.00 0.00 1.00 0.00 0.00 62.75 63.25 3rpb n ILE 641 Cb 0.48 -1.06 0.00 0.00 -0.71 0.00 0.00 39.64 38.35 3rpb n ILE 641 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3rpb n GLY 642 N 2.22 4.11 0.00 7.39 0.00 -0.17 -4.74 105.19 114.00 3rpb n GLY 642 Ca -0.37 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.29 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 -1.77 3.56 3.54 -0.02 0.00 -0.10 0.17 105.19 110.57 3rpb n GLY 643 Ca 0.00 -0.99 -0.11 0.00 0.00 0.00 0.00 46.02 44.92 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 -1.91 3.17 -0.49 0.00 -2.07 -1.26 0.97 119.66 118.08 3rpb s GLN 645 Ca -0.01 -0.41 0.03 0.00 -1.82 0.00 0.00 55.36 53.16 3rpb s GLN 645 Cb -0.01 -2.86 0.13 0.00 -1.09 0.00 0.00 33.01 29.19 3rpb s GLN 645 CO -0.01 0.61 0.25 -0.51 -1.32 0.00 0.00 175.29 174.31 3rpb s LEU 646 N -0.62 3.62 0.01 2.60 1.43 0.78 -4.84 118.68 121.67 3rpb s LEU 646 Ca 0.10 -2.85 0.02 0.00 -1.03 0.00 0.00 54.13 50.37 3rpb s LEU 646 Cb -0.12 -1.38 -0.01 0.00 0.03 0.00 0.00 46.19 44.71 3rpb s LEU 646 CO 0.02 -0.25 -0.07 -0.83 0.23 0.00 0.00 176.35 175.45 3rpb s GLY 647 N -0.02 0.40 0.26 -3.19 0.00 -1.26 0.19 107.32 103.70 3rpb s GLY 647 Ca 0.17 -0.46 0.15 0.00 0.00 0.00 0.00 44.72 44.59 3rpb s GLY 647 CO 0.00 -0.45 1.43 4.51 0.00 0.00 0.00 173.10 178.59 3rpb n ILE 648 N 2.40 1.05 0.54 0.90 3.06 -1.22 -0.05 119.36 126.04 3rpb n ILE 648 Ca -0.16 0.70 0.04 0.00 -2.50 0.00 0.00 62.75 60.82 3rpb n ILE 648 Cb 0.57 -1.70 0.16 0.00 0.54 0.00 0.00 39.64 39.21 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 -2.05 2.45 -2.54 9.51 2.88 -1.26 -4.88 113.62 117.73 3rpb n SER 649 Ca -0.01 -2.22 -0.04 0.00 -1.33 0.00 0.00 58.87 55.26 3rpb n SER 649 Cb 0.12 -0.42 0.02 0.00 -0.75 0.00 0.00 64.21 63.18 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 0.34 0.11 -3.37 -1.46 0.00 0.92 -5.11 120.51 111.93 3rpb n ALA 650 Ca 0.11 -0.40 -0.13 0.00 0.00 0.00 0.00 53.44 53.03 3rpb n ALA 650 Cb 0.49 0.08 -0.12 0.00 0.00 0.00 0.00 19.45 19.90 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 -2.80 0.26 0.00 0.00 0.00 -1.26 -4.76 119.74 111.18 3rpb s LYS 651 Ca 0.13 0.42 0.00 0.00 0.00 0.00 0.00 55.97 56.52 3rpb s LYS 651 Cb -0.01 0.04 0.00 0.00 0.00 0.00 0.00 37.83 37.86 3rpb s LYS 651 CO 0.08 -0.09 0.00 0.41 0.00 0.00 0.00 175.35 175.76 3rpb n GLY 652 N 3.47 1.12 0.10 0.59 0.00 -1.26 -4.49 105.19 104.71 3rpb n GLY 652 Ca -0.18 -0.92 -0.12 0.00 0.00 0.00 0.00 46.02 44.79 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 0.44 -0.13 1.61 -0.58 -1.26 -4.20 120.64 116.52 3rpb n GLU 653 Ca 0.00 0.10 0.27 0.00 -0.42 0.00 0.00 57.16 57.12 3rpb n GLU 653 Cb 0.00 -1.35 0.61 0.00 -0.57 0.00 0.00 31.44 30.13 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 -0.01 0.00 0.12 3.49 3.08 -1.88 0.39 114.38 119.56 3rpb h ARG 654 Ca -0.40 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.33 3rpb h ARG 654 Cb 1.61 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.65 3rpb h ARG 654 CO -0.07 0.00 -1.69 1.25 -1.07 0.00 0.00 179.97 178.39 3rpb h LEU 655 N 0.00 0.38 0.35 3.04 5.85 -1.78 -3.21 115.31 119.95 3rpb h LEU 655 Ca 0.41 -0.86 -0.00 0.00 0.84 0.00 0.00 57.88 58.26 3rpb h LEU 655 Cb 2.20 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 43.08 3rpb h LEU 655 CO -0.00 1.73 -0.39 0.11 -0.34 0.00 0.00 178.44 179.55 3rpb h LYS 656 N -0.18 -0.75 0.53 1.25 1.57 -0.42 0.29 116.57 118.87 3rpb h LYS 656 Ca -0.37 0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.44 3rpb h LYS 656 Cb 1.87 0.17 0.00 0.00 0.08 0.00 0.00 32.23 34.35 3rpb h LYS 656 CO 0.05 -0.50 -0.28 1.25 -0.57 0.00 0.00 179.45 179.41 3rpb h HIS 657 N -0.78 -0.72 0.00 -1.35 2.76 -1.55 -1.66 115.15 111.86 3rpb h HIS 657 Ca -0.02 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.13 3rpb h HIS 657 Cb 0.71 0.24 0.00 0.00 1.55 0.00 0.00 27.41 29.91 3rpb h HIS 657 CO -0.23 -0.44 0.00 1.87 -1.30 0.00 0.00 177.93 177.83 3rpb n TRP 658 N -5.42 0.00 -0.25 5.26 -0.00 -1.18 -2.44 117.44 113.41 3rpb n TRP 658 Ca -0.12 0.00 -0.07 0.00 -0.00 0.00 0.00 57.50 57.31 3rpb n TRP 658 Cb 0.31 0.00 -0.06 0.00 -0.00 0.00 0.00 31.31 31.56 3rpb n TRP 658 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 177.69 176.77 3rpb h TYR 659 N 0.00 -1.14 -1.48 5.87 5.03 -0.55 0.71 116.97 125.41 3rpb h TYR 659 Ca 0.00 0.08 0.44 0.00 2.58 0.00 0.00 58.73 61.83 3rpb h TYR 659 Cb 0.00 0.58 -0.09 0.00 1.55 0.00 0.00 36.73 38.76 3rpb h TYR 659 CO 0.00 -0.22 1.02 1.05 -1.32 0.00 0.00 178.16 178.68 3rpb h GLU 660 N -0.00 0.06 -0.86 1.82 4.11 -1.32 2.32 114.58 120.71 3rpb h GLU 660 Ca 0.10 -0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.53 3rpb h GLU 660 Cb 0.25 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.44 3rpb h GLU 660 CO -0.56 0.04 0.56 0.00 0.07 0.00 0.00 179.01 179.12 3rpb h LEU 662 N 1.17 0.00 0.24 0.00 4.07 0.41 -0.17 115.31 121.04 3rpb h LEU 662 Ca 0.31 0.00 -0.34 0.00 0.08 0.00 0.00 57.88 57.94 3rpb h LEU 662 Cb -0.11 0.00 0.03 0.00 1.08 0.00 0.00 40.66 41.66 3rpb h LEU 662 CO -0.07 0.07 -1.52 0.07 -1.08 0.00 0.00 178.44 175.92 3rpb h LYS 663 N 0.00 0.51 -1.76 1.13 2.10 -0.78 -3.33 116.57 114.44 3rpb h LYS 663 Ca -0.00 -0.88 -0.72 0.00 -2.00 0.00 0.00 60.65 57.05 3rpb h LYS 663 Cb 0.14 0.33 -0.31 0.00 -0.90 0.00 0.00 32.23 31.49 3rpb h LYS 663 CO 0.01 1.42 0.63 0.09 -2.00 0.00 0.00 179.45 179.60 3rpb n ASN 664 N -3.69 6.90 0.00 7.07 3.02 0.13 -4.91 115.26 123.78 3rpb n ASN 664 Ca -0.18 -3.81 0.00 0.00 -0.03 0.00 0.00 54.58 50.56 3rpb n ASN 664 Cb 1.10 -0.91 0.00 0.00 -0.61 0.00 0.00 39.78 39.36 3rpb n ASN 664 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3rpb n LYS 665 N -0.57 0.00 -0.04 3.52 5.02 -0.15 0.62 118.16 126.56 3rpb n LYS 665 Ca 0.52 0.13 0.23 0.00 -2.02 0.00 0.00 58.31 57.16 3rpb n LYS 665 Cb 0.38 -0.54 0.54 0.00 -0.02 0.00 0.00 35.03 35.39 3rpb n LYS 665 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 3rpb h ASP 666 N 0.00 0.00 -3.54 4.39 3.58 -1.66 -2.08 116.42 117.12 3rpb h ASP 666 Ca 0.00 0.00 -0.52 0.00 0.42 0.00 0.00 57.03 56.93 3rpb h ASP 666 Cb 0.00 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.03 3rpb h ASP 666 CO 0.00 0.00 0.31 -0.54 -2.88 0.00 0.00 179.24 176.13 3rpb s LYS 667 N -4.45 4.65 0.53 0.28 -0.14 0.20 -4.88 119.74 115.94 3rpb s LYS 667 Ca -0.03 1.36 -0.10 0.00 -1.36 0.00 0.00 55.97 55.84 3rpb s LYS 667 Cb 0.13 -3.37 -0.05 0.00 -1.68 0.00 0.00 37.83 32.86 3rpb s LYS 667 CO 0.45 0.24 0.91 -1.59 -0.76 0.00 0.00 175.35 174.59 3rpb s LYS 668 N -0.04 3.66 0.05 1.68 0.00 -1.26 -4.43 119.74 119.40 3rpb s LYS 668 Ca 0.45 0.57 -0.00 0.00 0.00 0.00 0.00 55.97 56.99 3rpb s LYS 668 Cb -0.23 -2.23 -0.03 0.00 0.00 0.00 0.00 37.83 35.34 3rpb s LYS 668 CO 0.28 -0.33 -0.04 0.42 0.00 0.00 0.00 175.35 175.68 3rpb s ILE 669 N -2.84 0.27 -0.19 3.79 1.01 0.44 -4.93 121.20 118.75 3rpb s ILE 669 Ca 0.53 -1.48 -0.12 0.00 0.00 0.00 0.00 60.65 59.58 3rpb s ILE 669 Cb -0.11 -1.06 0.06 0.00 0.01 0.00 0.00 42.46 41.36 3rpb s ILE 669 CO 0.44 -0.77 0.47 -1.61 0.00 0.00 0.00 174.94 173.47 3rpb s GLU 670 N -2.93 0.48 0.24 2.79 2.02 -1.26 0.31 118.70 120.34 3rpb s GLU 670 Ca -0.01 0.83 -0.15 0.00 0.02 0.00 0.00 54.97 55.65 3rpb s GLU 670 Cb 0.00 0.06 0.01 0.00 0.10 0.00 0.00 34.13 34.31 3rpb s GLU 670 CO -0.06 -0.14 0.52 1.03 0.02 0.00 0.00 175.26 176.63 3rpb s ARG 671 N 1.18 1.53 -0.15 1.61 1.81 -0.18 -4.99 118.95 119.76 3rpb s ARG 671 Ca -0.08 -1.12 -0.05 0.00 -1.72 0.00 0.00 55.73 52.77 3rpb s ARG 671 Cb -0.07 0.50 -0.04 0.00 -0.45 0.00 0.00 34.95 34.90 3rpb s ARG 671 CO -0.11 -0.65 0.03 -1.58 -0.68 0.00 0.00 175.30 172.31 3rpb s TRP 672 N -3.97 3.19 -0.13 -0.53 0.52 -1.26 -0.51 118.94 116.25 3rpb s TRP 672 Ca 0.17 0.04 0.01 0.00 0.02 0.00 0.00 56.10 56.33 3rpb s TRP 672 Cb -0.01 -1.97 -0.01 0.00 -1.15 0.00 0.00 33.47 30.33 3rpb s TRP 672 CO 0.05 0.22 -0.15 -1.01 0.02 0.00 0.00 176.95 176.08 3rpb s HIS 673 N -0.03 2.77 -0.32 -1.98 3.76 -0.74 -4.96 115.29 113.79 3rpb s HIS 673 Ca 0.04 -0.78 -0.29 0.00 -0.15 0.00 0.00 55.06 53.88 3rpb s HIS 673 Cb -0.13 -1.83 0.01 0.00 1.11 0.00 0.00 32.58 31.74 3rpb s HIS 673 CO 0.02 -0.30 1.23 1.14 -0.85 0.00 0.00 174.74 175.97 3rpb s GLN 674 N 0.45 3.95 0.27 1.40 -2.07 -1.26 -1.64 119.66 120.76 3rpb s GLN 674 Ca -0.11 1.15 -0.31 0.00 -1.82 0.00 0.00 55.36 54.28 3rpb s GLN 674 Cb -0.16 -3.84 -0.12 0.00 -1.09 0.00 0.00 33.01 27.80 3rpb s GLN 674 CO 0.05 -1.07 1.57 1.28 -1.32 0.00 0.00 175.29 175.80 3rpb n LEU 675 N 7.42 4.05 -4.34 2.60 4.77 -0.49 -4.67 117.00 126.34 3rpb n LEU 675 Ca 0.14 1.14 -0.18 0.00 -0.03 0.00 0.00 56.01 57.07 3rpb n LEU 675 Cb 0.47 -1.56 -0.10 0.00 -2.33 0.00 0.00 43.42 39.90 3rpb n LEU 675 CO 0.63 0.02 -0.44 -1.10 -1.33 0.00 0.00 177.39 175.17 3rpb s GLN 676 N -0.31 1.32 -1.08 3.23 -0.21 0.26 -4.65 119.66 118.22 3rpb s GLN 676 Ca 0.66 -1.59 -0.06 0.00 0.02 0.00 0.00 55.36 54.40 3rpb s GLN 676 Cb -0.53 -1.09 0.29 0.00 1.00 0.00 0.00 33.01 32.68 3rpb s GLN 676 CO 0.47 0.17 1.28 0.09 -2.12 0.00 0.00 175.29 175.18 3rpb n ASN 677 N -0.37 5.89 -0.06 5.90 3.02 -1.26 -0.93 115.26 127.44 3rpb n ASN 677 Ca -0.08 -3.24 -0.10 0.00 -0.03 0.00 0.00 54.58 51.14 3rpb n ASN 677 Cb 0.60 -1.30 -0.03 0.00 -0.61 0.00 0.00 39.78 38.44 3rpb n ASN 677 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 3rpb h GLU 678 N 5.97 -0.33 -5.73 3.52 4.11 -1.98 -3.43 114.58 116.71 3rpb h GLU 678 Ca 0.19 0.02 -0.52 0.00 0.07 0.00 0.00 59.36 59.12 3rpb h GLU 678 Cb 0.74 0.08 -0.14 0.00 0.50 0.00 0.00 28.75 29.92 3rpb h GLU 678 CO 1.17 -0.22 -0.71 1.21 0.07 0.00 0.00 179.01 180.52 3rpb s ASN 679 N -4.99 3.01 0.00 3.06 3.84 -1.26 -5.22 114.94 113.37 3rpb s ASN 679 Ca -0.15 -1.10 0.00 0.00 0.21 0.00 0.00 52.86 51.82 3rpb s ASN 679 Cb 0.12 -0.21 0.00 0.00 -0.55 0.00 0.00 41.25 40.61 3rpb s ASN 679 CO 0.66 -0.19 0.00 1.57 -2.79 0.00 0.00 177.10 176.36