#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 -0.37 3.19 -0.13 0.00 0.06 -4.60 105.19 103.34 3rpb n GLY 542 Ca 0.00 -1.58 -0.27 0.00 0.00 0.00 0.00 46.02 44.17 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 0.00 1.71 -0.10 1.61 1.02 0.44 -1.21 119.74 123.20 3rpb s LYS 543 Ca 0.00 -0.70 0.02 0.00 0.02 0.00 0.00 55.97 55.32 3rpb s LYS 543 Cb 0.00 -1.59 -0.01 0.00 -0.52 0.00 0.00 37.83 35.71 3rpb s LYS 543 CO 0.00 0.38 -0.18 -1.50 -0.92 0.00 0.00 175.35 173.13 3rpb s ILE 544 N -0.33 2.64 -0.22 2.17 -1.16 -0.71 0.13 121.20 123.73 3rpb s ILE 544 Ca 0.04 -0.82 -0.23 0.00 -0.51 0.00 0.00 60.65 59.13 3rpb s ILE 544 Cb -0.09 -2.06 -0.01 0.00 0.61 0.00 0.00 42.46 40.91 3rpb s ILE 544 CO 0.00 0.55 0.74 -0.22 -2.81 0.00 0.00 174.94 173.20 3rpb s LEU 545 N 0.15 4.11 -0.07 8.50 2.96 0.46 -1.62 118.68 133.17 3rpb s LEU 545 Ca -0.10 0.94 0.05 0.00 -0.22 0.00 0.00 54.13 54.80 3rpb s LEU 545 Cb -0.16 -3.05 -0.00 0.00 0.50 0.00 0.00 46.19 43.48 3rpb s LEU 545 CO 0.06 -0.41 -0.22 -0.69 -1.32 0.00 0.00 176.35 173.77 3rpb s VAL 546 N 2.42 1.88 -0.20 1.68 1.01 -0.34 -1.53 120.40 125.33 3rpb s VAL 546 Ca 0.32 -0.94 -0.02 0.00 0.00 0.00 0.00 61.98 61.33 3rpb s VAL 546 Cb -0.16 -1.62 -0.01 0.00 0.00 0.00 0.00 36.38 34.60 3rpb s VAL 546 CO 0.09 0.52 -0.08 -0.94 0.00 0.00 0.00 175.10 174.69 3rpb s SER 547 N 0.15 4.07 0.43 3.32 1.04 0.43 -1.53 113.70 121.59 3rpb s SER 547 Ca -0.11 -0.42 0.03 0.00 0.48 0.00 0.00 55.95 55.93 3rpb s SER 547 Cb -0.15 -1.67 0.00 0.00 0.10 0.00 0.00 66.02 64.29 3rpb s SER 547 CO 0.06 0.02 0.62 -0.76 0.98 0.00 0.00 173.24 174.16 3rpb s LEU 548 N 1.21 3.69 0.00 2.42 1.43 0.77 0.25 118.68 128.46 3rpb s LEU 548 Ca 0.02 0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.18 3rpb s LEU 548 Cb -0.14 -2.96 0.00 0.00 0.03 0.00 0.00 46.19 43.11 3rpb s LEU 548 CO -0.03 -0.69 0.00 0.80 0.23 0.00 0.00 176.35 176.66 3rpb n MET 549 N -1.97 0.00 -4.02 1.70 1.56 -0.28 -0.58 117.12 113.52 3rpb n MET 549 Ca 0.02 0.00 -0.36 0.00 -0.27 0.00 0.00 57.70 57.10 3rpb n MET 549 Cb 0.58 0.00 -0.08 0.00 2.15 0.00 0.00 33.22 35.87 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 3.39 -0.52 1.12 5.04 -0.85 0.15 117.35 125.68 3rpb s TYR 550 Ca 0.00 0.31 -0.07 0.00 -2.44 0.00 0.00 57.07 54.88 3rpb s TYR 550 Cb 0.00 -1.96 0.13 0.00 0.35 0.00 0.00 41.96 40.49 3rpb s TYR 550 CO 0.00 0.49 0.37 0.45 -1.34 0.00 0.00 175.55 175.51 3rpb s SER 551 N -0.52 5.59 0.33 4.32 0.15 0.68 -2.86 113.70 121.40 3rpb s SER 551 Ca 0.11 -2.21 0.04 0.00 0.70 0.00 0.00 55.95 54.59 3rpb s SER 551 Cb -0.12 -1.95 0.58 0.00 -1.71 0.00 0.00 66.02 62.82 3rpb s SER 551 CO 0.02 -0.58 1.87 0.71 1.20 0.00 0.00 173.24 176.46 3rpb h THR 552 N 5.89 1.20 -0.90 6.45 1.35 -1.94 0.42 112.91 125.37 3rpb h THR 552 Ca -0.12 -0.78 0.22 0.00 -0.55 0.00 0.00 66.41 65.18 3rpb h THR 552 Cb 1.04 0.91 -0.12 0.00 -1.73 0.00 0.00 68.15 68.25 3rpb h THR 552 CO 0.78 0.27 0.41 1.56 -0.25 0.00 0.00 175.52 178.30 3rpb h GLN 553 N 0.53 0.40 0.00 4.72 4.20 -1.94 0.51 115.11 123.54 3rpb h GLN 553 Ca 0.12 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.80 3rpb h GLN 553 Cb 0.32 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.01 3rpb h GLN 553 CO 0.01 0.27 -1.71 1.04 -0.67 0.00 0.00 178.83 177.77 3rpb n GLN 554 N -5.03 0.63 -2.46 1.46 1.13 -0.92 -5.00 117.38 107.20 3rpb n GLN 554 Ca 0.22 -0.11 -0.01 0.00 -1.94 0.00 0.00 57.00 55.17 3rpb n GLN 554 Cb 0.66 -1.60 0.00 0.00 0.11 0.00 0.00 30.24 29.41 3rpb n GLN 554 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3rpb n GLY 555 N 1.24 0.82 3.39 1.08 0.00 0.14 -5.06 105.19 106.80 3rpb n GLY 555 Ca -0.03 -0.68 -0.10 0.00 0.00 0.00 0.00 46.02 45.21 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 -3.00 0.87 0.30 -0.02 0.00 -0.70 -4.13 107.32 100.64 3rpb s GLY 556 Ca 0.02 -1.20 0.01 0.00 0.00 0.00 0.00 44.72 43.55 3rpb s GLY 556 CO 0.02 -0.97 0.49 -2.27 0.00 0.00 0.00 173.10 170.37 3rpb s LEU 557 N -3.06 4.11 -0.13 0.66 2.96 -0.80 -0.23 118.68 122.19 3rpb s LEU 557 Ca 0.28 0.38 -0.00 0.00 -0.22 0.00 0.00 54.13 54.56 3rpb s LEU 557 Cb 0.03 -3.21 0.03 0.00 0.50 0.00 0.00 46.19 43.54 3rpb s LEU 557 CO 0.08 -0.21 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.20 3rpb s ILE 558 N -2.18 1.09 -0.25 6.68 -1.09 0.40 0.16 121.20 126.02 3rpb s ILE 558 Ca 0.39 -0.42 -0.07 0.00 -2.23 0.00 0.00 60.65 58.32 3rpb s ILE 558 Cb -0.10 -1.15 -0.03 0.00 -1.58 0.00 0.00 42.46 39.60 3rpb s ILE 558 CO 0.33 0.30 0.07 -0.69 -1.23 0.00 0.00 174.94 173.72 3rpb s VAL 559 N 1.67 4.33 -0.22 2.92 1.01 -1.04 -1.13 120.40 127.95 3rpb s VAL 559 Ca 0.04 -0.17 -0.06 0.00 0.00 0.00 0.00 61.98 61.79 3rpb s VAL 559 Cb -0.13 -3.02 -0.03 0.00 0.00 0.00 0.00 36.38 33.20 3rpb s VAL 559 CO -0.08 0.35 0.03 -0.83 0.00 0.00 0.00 175.10 174.56 3rpb s GLY 560 N 1.54 1.74 -0.66 4.51 0.00 0.69 0.25 107.32 115.40 3rpb s GLY 560 Ca 0.06 -1.03 -0.14 0.00 0.00 0.00 0.00 44.72 43.61 3rpb s GLY 560 CO 0.04 0.34 0.60 -0.42 0.00 0.00 0.00 173.10 173.65 3rpb s ILE 561 N 1.19 5.25 0.00 0.90 -1.09 0.48 0.16 121.20 128.10 3rpb s ILE 561 Ca 0.04 -1.98 0.00 0.00 -2.23 0.00 0.00 60.65 56.47 3rpb s ILE 561 Cb -0.14 -4.32 0.00 0.00 -1.58 0.00 0.00 42.46 36.42 3rpb s ILE 561 CO 0.02 -0.93 0.27 -0.38 -1.23 0.00 0.00 174.94 172.68 3rpb n ILE 562 N 4.62 0.00 -3.78 2.92 -0.00 -0.58 0.27 119.36 122.81 3rpb n ILE 562 Ca -0.01 0.57 -0.08 0.00 -0.00 0.00 0.00 62.75 63.22 3rpb n ILE 562 Cb 0.43 -1.17 -0.02 0.00 -0.00 0.00 0.00 39.64 38.88 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 -0.87 1.64 0.23 0.38 1.70 -1.23 0.24 118.95 121.04 3rpb s ARG 563 Ca 0.00 -0.90 0.09 0.00 -0.47 0.00 0.00 55.73 54.45 3rpb s ARG 563 Cb 0.00 0.59 -0.05 0.00 -0.57 0.00 0.00 34.95 34.92 3rpb s ARG 563 CO 0.00 -0.74 -0.16 0.00 -1.08 0.00 0.00 175.30 173.32 3rpb s VAL 565 N -2.81 0.05 -1.05 0.00 -7.23 0.36 -3.46 120.40 106.26 3rpb s VAL 565 Ca 0.24 -0.44 -0.04 0.00 -1.81 0.00 0.00 61.98 59.94 3rpb s VAL 565 Cb -0.02 -0.59 0.00 0.00 0.56 0.00 0.00 36.38 36.33 3rpb s VAL 565 CO 0.09 -0.24 0.90 1.41 -0.31 0.00 0.00 175.10 176.95 3rpb n HIS 566 N 1.45 -2.11 -2.66 2.82 8.25 -1.23 0.17 115.22 121.90 3rpb n HIS 566 Ca -0.21 0.80 -0.31 0.00 -0.26 0.00 0.00 57.72 57.75 3rpb n HIS 566 Cb 0.56 -4.39 -0.03 0.00 1.12 0.00 0.00 29.99 27.25 3rpb n HIS 566 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3rpb s LEU 567 N -5.89 3.73 0.58 2.41 1.43 -0.77 -0.76 118.68 119.41 3rpb s LEU 567 Ca 0.27 1.26 -0.14 0.00 -1.03 0.00 0.00 54.13 54.50 3rpb s LEU 567 Cb -0.12 -4.17 -0.05 0.00 0.03 0.00 0.00 46.19 41.87 3rpb s LEU 567 CO 0.59 -0.49 1.01 0.00 0.23 0.00 0.00 176.35 177.70 3rpb s ALA 568 N -2.50 3.03 -0.27 4.21 0.00 -1.26 -4.80 121.76 120.16 3rpb s ALA 568 Ca 0.53 0.08 0.03 0.00 0.00 0.00 0.00 51.96 52.60 3rpb s ALA 568 Cb -0.10 -3.12 0.06 0.00 0.00 0.00 0.00 23.12 19.97 3rpb s ALA 568 CO 0.33 -0.54 -0.09 0.00 0.00 0.00 0.00 175.76 175.46 3rpb s ALA 569 N -2.87 2.62 -0.18 0.00 0.00 -1.26 -4.31 121.76 115.76 3rpb s ALA 569 Ca 0.58 -1.86 0.18 0.00 0.00 0.00 0.00 51.96 50.86 3rpb s ALA 569 Cb -0.11 -1.65 -0.03 0.00 0.00 0.00 0.00 23.12 21.33 3rpb s ALA 569 CO 0.43 -1.26 1.06 0.52 0.00 0.00 0.00 175.76 176.51 3rpb h MET 570 N 7.76 0.00 -7.25 0.00 2.86 -1.85 -3.43 114.93 113.02 3rpb h MET 570 Ca -0.17 0.00 -0.52 0.00 -2.06 0.00 0.00 59.70 56.95 3rpb h MET 570 Cb 1.04 0.00 0.15 0.00 0.06 0.00 0.00 31.60 32.85 3rpb h MET 570 CO 0.47 0.25 0.32 -0.51 1.06 0.00 0.00 176.91 178.50 3rpb s ASP 571 N -5.86 4.16 0.00 1.22 1.11 -0.99 -4.89 116.67 111.41 3rpb s ASP 571 Ca -0.00 2.06 0.21 0.00 0.18 0.00 0.00 52.55 55.00 3rpb s ASP 571 Cb 0.08 -2.55 1.27 0.00 1.07 0.00 0.00 42.92 42.79 3rpb s ASP 571 CO 0.78 -2.27 1.71 0.00 1.18 0.00 0.00 175.17 176.57 3rpb n ALA 572 N -3.32 2.45 1.11 5.23 0.00 -1.26 -2.55 120.51 122.17 3rpb n ALA 572 Ca 0.11 -0.13 0.12 0.00 0.00 0.00 0.00 53.44 53.53 3rpb n ALA 572 Cb 0.52 -1.35 0.16 0.00 0.00 0.00 0.00 19.45 18.79 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 -0.91 1.50 0.00 0.00 4.13 -1.26 -4.94 115.26 113.79 3rpb n ASN 573 Ca 0.16 -1.19 0.00 0.00 1.68 0.00 0.00 54.58 55.23 3rpb n ASN 573 Cb 0.07 0.35 0.00 0.00 -1.54 0.00 0.00 39.78 38.66 3rpb n ASN 573 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3rpb n GLY 574 N 1.39 0.75 0.00 7.41 0.00 -1.06 -5.04 105.19 108.64 3rpb n GLY 574 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.34 0.00 -3.96 1.61 4.02 -1.26 -4.55 117.16 110.68 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 -0.04 0.00 -0.02 0.00 0.00 39.34 39.28 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 -0.85 -0.00 -0.61 7.72 0.01 -1.25 -2.36 113.70 116.37 3rpb s SER 576 Ca 0.00 -0.95 0.05 0.00 1.31 0.00 0.00 55.95 56.36 3rpb s SER 576 Cb 0.00 0.66 0.33 0.00 0.21 0.00 0.00 66.02 67.22 3rpb s SER 576 CO 0.00 -1.26 0.98 0.47 0.41 0.00 0.00 173.24 173.84 3rpb n ASP 577 N -0.63 4.60 -4.77 2.44 9.92 -1.25 0.16 116.55 127.02 3rpb n ASP 577 Ca -0.03 -3.68 -0.39 0.00 -0.53 0.00 0.00 54.79 50.17 3rpb n ASP 577 Cb 0.61 -0.60 -0.01 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 -3.47 3.95 0.08 -0.24 0.04 -1.11 0.23 135.00 134.49 3rpb s PRO 578 Ca 0.48 2.08 -0.05 0.00 0.04 0.00 0.00 61.00 63.55 3rpb s PRO 578 Cb 0.27 -2.72 -0.02 0.00 0.04 0.00 0.00 34.50 32.07 3rpb s PRO 578 CO -0.13 -0.48 0.09 -0.59 0.04 0.00 0.00 177.00 175.93 3rpb s PHE 579 N -1.30 0.37 -0.13 0.56 -0.71 0.12 -0.82 117.98 116.07 3rpb s PHE 579 Ca 0.58 -0.85 -0.01 0.00 -1.04 0.00 0.00 56.93 55.61 3rpb s PHE 579 Cb -0.36 -0.23 -0.02 0.00 -1.21 0.00 0.00 43.02 41.20 3rpb s PHE 579 CO 0.46 -0.48 -0.11 0.08 -1.34 0.00 0.00 175.22 173.83 3rpb s VAL 580 N -3.91 3.25 -0.12 -2.49 1.01 -1.26 -0.39 120.40 116.49 3rpb s VAL 580 Ca 0.08 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.46 3rpb s VAL 580 Cb 0.06 -2.37 -0.01 0.00 0.00 0.00 0.00 36.38 34.06 3rpb s VAL 580 CO -0.09 0.53 -0.14 -0.54 0.00 0.00 0.00 175.10 174.86 3rpb s LYS 581 N 0.21 3.31 -0.03 2.72 1.02 0.21 0.75 119.74 127.93 3rpb s LYS 581 Ca -0.07 -0.70 0.05 0.00 0.02 0.00 0.00 55.97 55.28 3rpb s LYS 581 Cb -0.15 -2.60 -0.02 0.00 -0.52 0.00 0.00 37.83 34.54 3rpb s LYS 581 CO 0.05 0.24 -0.18 -0.51 -0.92 0.00 0.00 175.35 174.02 3rpb s LEU 582 N 0.28 2.50 -0.19 3.17 1.02 -0.91 -1.07 118.68 123.49 3rpb s LEU 582 Ca -0.10 -0.31 -0.04 0.00 0.02 0.00 0.00 54.13 53.70 3rpb s LEU 582 Cb -0.16 -1.48 0.10 0.00 0.02 0.00 0.00 46.19 44.67 3rpb s LEU 582 CO 0.06 0.33 0.31 0.86 0.02 0.00 0.00 176.35 177.92 3rpb s TRP 583 N -0.72 -0.57 -0.25 0.29 -0.00 -1.02 0.14 118.94 116.82 3rpb s TRP 583 Ca 0.11 0.82 -0.19 0.00 -0.00 0.00 0.00 56.10 56.85 3rpb s TRP 583 Cb -0.10 -0.05 -0.02 0.00 -0.00 0.00 0.00 33.47 33.29 3rpb s TRP 583 CO 0.01 -0.55 0.56 -1.17 -0.00 0.00 0.00 176.95 175.80 3rpb s LEU 584 N 2.47 4.06 0.59 5.86 2.96 -1.20 -1.08 118.68 132.33 3rpb s LEU 584 Ca 0.06 0.61 0.08 0.00 -0.22 0.00 0.00 54.13 54.66 3rpb s LEU 584 Cb -0.14 -2.74 0.08 0.00 0.50 0.00 0.00 46.19 43.89 3rpb s LEU 584 CO -0.12 -0.31 0.68 -0.54 -1.32 0.00 0.00 176.35 174.73 3rpb s LYS 585 N 2.34 2.23 0.13 1.98 1.02 -0.20 -4.07 119.74 123.17 3rpb s LYS 585 Ca 0.23 -1.84 -0.24 0.00 0.02 0.00 0.00 55.97 54.14 3rpb s LYS 585 Cb -0.16 -2.43 -0.02 0.00 -0.52 0.00 0.00 37.83 34.71 3rpb s LYS 585 CO 0.09 -0.86 1.64 -1.35 -0.92 0.00 0.00 175.35 173.95 3rpb h PRO 586 N 0.32 -0.30 0.00 -1.68 0.11 -1.88 -2.37 132.00 126.19 3rpb h PRO 586 Ca -0.31 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3rpb h PRO 586 Cb 1.30 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.48 3rpb h PRO 586 CO 0.46 -0.20 0.00 -3.47 -0.21 0.00 0.00 178.00 174.58 3rpb n ASP 587 N -5.37 0.00 -0.02 -2.05 -0.08 -1.26 -5.04 116.55 102.73 3rpb n ASP 587 Ca -0.03 0.00 0.02 0.00 -1.51 0.00 0.00 54.79 53.27 3rpb n ASP 587 Cb 0.28 0.00 -0.09 0.00 2.34 0.00 0.00 41.12 43.65 3rpb n ASP 587 CO 0.00 0.00 0.00 1.15 0.12 0.00 0.00 177.20 178.47 3rpb n MET 588 N 0.00 1.01 -1.71 -0.67 0.00 -1.26 -5.07 117.12 109.43 3rpb n MET 588 Ca 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 57.70 57.61 3rpb n MET 588 Cb 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 33.22 31.93 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 1.98 2.36 0.93 3.17 0.00 -1.26 -5.03 105.19 107.34 3rpb n GLY 589 Ca -0.08 -1.22 0.11 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.09 2.22 0.00 1.61 0.00 -1.26 -3.89 118.16 116.75 3rpb n LYS 590 Ca -0.01 -1.84 0.11 0.00 -0.00 0.00 0.00 58.31 56.57 3rpb n LYS 590 Cb 0.10 -1.47 -0.05 0.00 -0.00 0.00 0.00 35.03 33.61 3rpb n LYS 590 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 3rpb n LYS 591 N 1.06 0.68 -0.20 -1.58 4.01 -1.26 -4.37 118.16 116.51 3rpb n LYS 591 Ca 0.18 -0.57 0.30 0.00 -0.51 0.00 0.00 58.31 57.71 3rpb n LYS 591 Cb 0.50 -1.49 0.72 0.00 -0.51 0.00 0.00 35.03 34.26 3rpb n LYS 591 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3rpb h ALA 592 N 3.50 2.85 -2.42 7.82 0.00 -1.90 -3.41 119.26 125.70 3rpb h ALA 592 Ca 0.00 -0.03 -0.49 0.00 0.00 0.00 0.00 54.91 54.39 3rpb h ALA 592 Cb 0.65 0.07 0.10 0.00 0.00 0.00 0.00 17.79 18.61 3rpb h ALA 592 CO 0.00 -1.22 0.36 0.15 0.00 0.00 0.00 179.25 178.53 3rpb s LYS 593 N -4.87 2.31 0.31 0.00 3.01 -1.25 -3.25 119.74 116.00 3rpb s LYS 593 Ca -0.05 0.62 -0.19 0.00 -1.01 0.00 0.00 55.97 55.34 3rpb s LYS 593 Cb 0.21 -1.95 0.03 0.00 -1.01 0.00 0.00 37.83 35.11 3rpb s LYS 593 CO 0.73 -1.46 0.75 -1.01 0.51 0.00 0.00 175.35 174.87 3rpb s HIS 594 N -3.19 -0.09 -0.29 3.18 3.76 0.38 -4.86 115.29 114.18 3rpb s HIS 594 Ca 0.60 -0.43 -0.12 0.00 -0.15 0.00 0.00 55.06 54.95 3rpb s HIS 594 Cb -0.14 0.75 0.11 0.00 1.11 0.00 0.00 32.58 34.42 3rpb s HIS 594 CO 0.54 -1.34 0.69 -1.59 -0.85 0.00 0.00 174.74 172.19 3rpb s LYS 595 N -3.39 0.61 0.77 1.40 0.00 -1.25 -2.13 119.74 115.74 3rpb s LYS 595 Ca 0.12 1.33 -0.07 0.00 0.00 0.00 0.00 55.97 57.36 3rpb s LYS 595 Cb -0.06 0.59 0.11 0.00 0.00 0.00 0.00 37.83 38.47 3rpb s LYS 595 CO 0.08 -0.18 1.07 0.95 0.00 0.00 0.00 175.35 177.28 3rpb s THR 596 N 2.41 2.18 0.31 3.79 -4.23 0.23 -4.96 115.64 115.37 3rpb s THR 596 Ca -0.07 -0.31 -0.26 0.00 -1.18 0.00 0.00 61.69 59.86 3rpb s THR 596 Cb -0.09 -2.88 -0.14 0.00 1.34 0.00 0.00 72.50 70.73 3rpb s THR 596 CO -0.19 0.00 0.80 0.00 -0.54 0.00 0.00 174.62 174.69 3rpb n GLN 597 N -3.08 0.89 -2.60 3.99 6.02 -1.26 -4.45 117.38 116.88 3rpb n GLN 597 Ca 0.12 0.32 -0.43 0.00 -0.01 0.00 0.00 57.00 57.00 3rpb n GLN 597 Cb 0.60 -1.61 -0.02 0.00 1.02 0.00 0.00 30.24 30.23 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 -1.17 4.59 -1.20 5.09 -1.09 -1.26 -4.60 121.20 121.56 3rpb s ILE 598 Ca 0.61 1.89 -0.08 0.00 -2.23 0.00 0.00 60.65 60.84 3rpb s ILE 598 Cb -0.71 -4.21 0.22 0.00 -1.58 0.00 0.00 42.46 36.17 3rpb s ILE 598 CO 0.59 -0.04 1.68 0.29 -1.23 0.00 0.00 174.94 176.23 3rpb n LYS 599 N 5.38 3.87 -2.08 2.79 4.76 -0.00 -4.99 118.16 127.89 3rpb n LYS 599 Ca 0.10 -3.92 -0.40 0.00 -2.87 0.00 0.00 58.31 51.22 3rpb n LYS 599 Cb 0.47 -2.79 -0.01 0.00 -1.84 0.00 0.00 35.03 30.87 3rpb n LYS 599 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3rpb s LYS 600 N -0.60 4.09 -0.99 1.97 -0.14 -1.26 -2.75 119.74 120.05 3rpb s LYS 600 Ca 0.37 2.16 -0.08 0.00 -1.36 0.00 0.00 55.97 57.05 3rpb s LYS 600 Cb 0.06 -2.85 -0.04 0.00 -1.68 0.00 0.00 37.83 33.33 3rpb s LYS 600 CO 0.03 -0.39 0.83 1.63 -0.76 0.00 0.00 175.35 176.69 3rpb n LYS 601 N 0.32 -1.75 0.00 1.68 4.01 -0.79 -4.90 118.16 116.73 3rpb n LYS 601 Ca 0.03 0.90 0.00 0.00 -0.51 0.00 0.00 58.31 58.72 3rpb n LYS 601 Cb 0.43 -5.22 0.00 0.00 -0.51 0.00 0.00 35.03 29.73 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 -3.13 0.00 0.05 -0.18 5.66 0.12 -4.90 114.28 111.91 3rpb n THR 602 Ca -0.07 0.00 0.01 0.00 -3.05 0.00 0.00 64.05 60.94 3rpb n THR 602 Cb 0.59 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.36 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 0.05 -2.71 1.09 4.77 -1.26 -3.84 117.00 115.10 3rpb n LEU 603 Ca 0.00 -0.34 -0.16 0.00 -0.03 0.00 0.00 56.01 55.48 3rpb n LEU 603 Cb 0.00 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.10 3rpb n LEU 603 CO 0.00 0.01 -0.04 0.59 -1.33 0.00 0.00 177.39 176.62 3rpb n ASN 604 N -1.20 2.37 -2.62 -1.43 3.02 -1.26 -1.85 115.26 112.28 3rpb n ASN 604 Ca 0.00 -3.07 -0.09 0.00 -0.03 0.00 0.00 54.58 51.40 3rpb n ASN 604 Cb 0.03 -0.53 0.06 0.00 -0.61 0.00 0.00 39.78 38.74 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 -0.13 -0.64 -3.86 3.52 -0.04 -1.23 -4.82 135.00 127.80 3rpb n PRO 605 Ca 0.20 -0.59 -0.26 0.00 -0.04 0.00 0.00 63.50 62.81 3rpb n PRO 605 Cb 0.73 -0.42 -0.17 0.00 -0.04 0.00 0.00 33.50 33.60 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 -3.84 1.24 -0.16 0.54 2.12 -1.26 -2.54 118.70 114.80 3rpb s GLU 606 Ca 0.22 -0.18 -0.18 0.00 0.36 0.00 0.00 54.97 55.19 3rpb s GLU 606 Cb -0.01 -1.47 -0.15 0.00 0.26 0.00 0.00 34.13 32.76 3rpb s GLU 606 CO 0.16 -0.30 0.28 0.74 -0.54 0.00 0.00 175.26 175.59 3rpb h PHE 607 N 8.22 0.00 -6.48 5.30 0.04 0.30 -3.47 116.94 120.85 3rpb h PHE 607 Ca -0.26 0.00 -0.50 0.00 2.80 0.00 0.00 57.97 60.01 3rpb h PHE 607 Cb 1.13 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 39.23 3rpb h PHE 607 CO 0.47 0.84 -0.89 0.09 -0.60 0.00 0.00 178.31 178.21 3rpb n ASN 608 N -4.58 -0.64 -4.57 2.17 4.13 0.75 -4.89 115.26 107.63 3rpb n ASN 608 Ca -0.16 -1.01 -0.34 0.00 1.68 0.00 0.00 54.58 54.76 3rpb n ASN 608 Cb 0.44 -3.07 -0.11 0.00 -1.54 0.00 0.00 39.78 35.49 3rpb n ASN 608 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 3rpb s GLU 609 N -6.52 2.72 -0.33 3.52 2.02 0.25 -4.91 118.70 115.47 3rpb s GLU 609 Ca 0.03 -0.57 -0.04 0.00 0.02 0.00 0.00 54.97 54.42 3rpb s GLU 609 Cb -0.01 -2.57 0.05 0.00 0.10 0.00 0.00 34.13 31.70 3rpb s GLU 609 CO 0.89 0.65 0.06 -1.21 0.02 0.00 0.00 175.26 175.67 3rpb s GLU 610 N -0.79 2.46 0.65 1.61 8.01 -1.26 0.18 118.70 129.56 3rpb s GLU 610 Ca 0.12 -1.30 -0.02 0.00 0.01 0.00 0.00 54.97 53.79 3rpb s GLU 610 Cb -0.11 -3.33 0.07 0.00 -4.31 0.00 0.00 34.13 26.45 3rpb s GLU 610 CO 0.01 -0.69 0.91 -0.06 0.01 0.00 0.00 175.26 175.45 3rpb s PHE 611 N 1.30 2.50 -0.08 1.61 0.40 0.69 -4.92 117.98 119.48 3rpb s PHE 611 Ca -0.02 0.05 -0.03 0.00 -0.60 0.00 0.00 56.93 56.32 3rpb s PHE 611 Cb -0.20 -2.98 0.04 0.00 0.51 0.00 0.00 43.02 40.39 3rpb s PHE 611 CO 0.00 -1.29 0.14 0.12 0.70 0.00 0.00 175.22 174.89 3rpb s PHE 612 N -3.03 -0.14 0.14 0.36 5.36 -1.26 -2.49 117.98 116.92 3rpb s PHE 612 Ca 0.61 0.55 0.03 0.00 -0.96 0.00 0.00 56.93 57.16 3rpb s PHE 612 Cb -0.09 -0.27 -0.04 0.00 -0.34 0.00 0.00 43.02 42.28 3rpb s PHE 612 CO 0.42 -0.25 0.20 0.71 -1.46 0.00 0.00 175.22 174.84 3rpb s TYR 613 N 2.15 3.32 -0.88 10.12 1.51 0.42 -4.94 117.35 129.05 3rpb s TYR 613 Ca 0.02 0.07 0.01 0.00 -1.01 0.00 0.00 57.07 56.16 3rpb s TYR 613 Cb -0.12 -1.61 0.30 0.00 -0.11 0.00 0.00 41.96 40.43 3rpb s TYR 613 CO -0.05 0.52 1.30 -3.47 -1.11 0.00 0.00 175.55 172.74 3rpb n ASP 614 N -0.29 5.70 -4.09 2.29 2.03 -1.26 -1.90 116.55 119.03 3rpb n ASP 614 Ca -0.07 -3.54 -0.19 0.00 0.52 0.00 0.00 54.79 51.51 3rpb n ASP 614 Cb 0.54 -0.98 -0.14 0.00 -0.72 0.00 0.00 41.12 39.82 3rpb n ASP 614 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 3rpb s ILE 615 N -3.38 0.90 0.15 5.18 1.10 -1.26 -5.00 121.20 118.90 3rpb s ILE 615 Ca 0.38 -0.77 -0.30 0.00 -0.51 0.00 0.00 60.65 59.45 3rpb s ILE 615 Cb 0.15 -0.81 -0.07 0.00 0.15 0.00 0.00 42.46 41.87 3rpb s ILE 615 CO -0.02 0.04 1.12 -0.54 -2.11 0.00 0.00 174.94 173.44 3rpb s LYS 616 N -0.82 4.55 0.29 3.50 -0.14 -1.26 -3.79 119.74 122.08 3rpb s LYS 616 Ca 0.01 1.73 0.03 0.00 -1.36 0.00 0.00 55.97 56.39 3rpb s LYS 616 Cb -0.06 -3.29 0.75 0.00 -1.68 0.00 0.00 37.83 33.54 3rpb s LYS 616 CO 0.00 -0.00 1.65 1.25 -0.76 0.00 0.00 175.35 177.49 3rpb h HIS 617 N 5.46 0.41 -0.02 3.18 -0.00 -1.93 1.46 115.15 123.72 3rpb h HIS 617 Ca -0.44 0.05 0.01 0.00 -0.00 0.00 0.00 60.37 59.99 3rpb h HIS 617 Cb 1.21 -0.04 -0.00 0.00 -0.00 0.00 0.00 27.41 28.58 3rpb h HIS 617 CO 0.63 -0.21 0.06 0.77 -0.00 0.00 0.00 177.93 179.19 3rpb h SER 618 N 0.22 0.00 0.00 3.26 0.02 -2.00 -1.77 113.55 113.28 3rpb h SER 618 Ca 0.57 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 61.22 3rpb h SER 618 Cb 1.17 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.65 3rpb h SER 618 CO -0.65 0.00 -2.20 0.47 -1.14 0.00 0.00 176.83 173.31 3rpb n ASP 619 N -3.30 0.59 -0.09 3.07 8.00 0.45 -4.63 116.55 120.64 3rpb n ASP 619 Ca -0.02 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.45 3rpb n ASP 619 Cb 0.13 1.01 -0.02 0.00 -0.02 0.00 0.00 41.12 42.22 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 -2.63 -0.22 -0.36 0.64 7.99 0.17 0.04 117.00 122.63 3rpb n LEU 620 Ca -0.27 0.89 0.02 0.00 -0.01 0.00 0.00 56.01 56.64 3rpb n LEU 620 Cb 1.04 -0.31 0.08 0.00 -0.11 0.00 0.00 43.42 44.13 3rpb n LEU 620 CO 0.38 -0.56 0.60 0.00 -1.51 0.00 0.00 177.39 176.30 3rpb n ALA 621 N -2.94 0.05 0.27 -1.18 0.00 -1.25 0.27 120.51 115.73 3rpb n ALA 621 Ca 0.00 1.01 0.13 0.00 0.00 0.00 0.00 53.44 54.58 3rpb n ALA 621 Cb 0.05 -0.53 0.62 0.00 0.00 0.00 0.00 19.45 19.60 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 0.00 0.00 6.56 -0.67 -2.96 116.57 119.50 3rpb h LYS 622 Ca 0.40 0.00 -0.39 0.00 -1.06 0.00 0.00 60.65 59.59 3rpb h LYS 622 Cb 0.64 0.00 0.19 0.00 -0.57 0.00 0.00 32.23 32.49 3rpb h LYS 622 CO -0.98 0.00 0.16 1.63 -2.06 0.00 0.00 179.45 178.21 3rpb n LYS 623 N -2.39 -2.79 -3.26 3.15 4.76 0.77 -4.73 118.16 113.67 3rpb n LYS 623 Ca -0.00 -1.76 -0.04 0.00 -2.87 0.00 0.00 58.31 53.64 3rpb n LYS 623 Cb 0.12 -1.56 -0.04 0.00 -1.84 0.00 0.00 35.03 31.71 3rpb n LYS 623 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3rpb s SER 624 N -4.61 -0.38 -0.18 4.39 1.04 -0.89 -3.79 113.70 109.28 3rpb s SER 624 Ca 0.70 0.13 -0.29 0.00 0.48 0.00 0.00 55.95 56.97 3rpb s SER 624 Cb -0.06 1.49 -0.00 0.00 0.10 0.00 0.00 66.02 67.55 3rpb s SER 624 CO 0.53 -0.31 1.01 -0.22 0.98 0.00 0.00 173.24 175.23 3rpb s LEU 625 N 2.66 4.16 -0.52 2.42 2.96 0.41 -1.03 118.68 129.74 3rpb s LEU 625 Ca 0.13 1.41 -0.08 0.00 -0.22 0.00 0.00 54.13 55.37 3rpb s LEU 625 Cb -0.13 -3.52 0.14 0.00 0.50 0.00 0.00 46.19 43.18 3rpb s LEU 625 CO -0.24 -0.57 0.38 -0.62 -1.32 0.00 0.00 176.35 173.99 3rpb s ASP 626 N 1.16 5.66 -0.40 3.68 2.15 -0.24 0.26 116.67 128.94 3rpb s ASP 626 Ca 0.45 -2.17 -0.20 0.00 0.43 0.00 0.00 52.55 51.05 3rpb s ASP 626 Cb -0.16 -1.98 0.01 0.00 -0.30 0.00 0.00 42.92 40.49 3rpb s ASP 626 CO 0.11 -0.61 0.63 -0.63 -0.17 0.00 0.00 175.17 174.50 3rpb s ILE 627 N 0.96 4.87 -0.02 4.11 1.09 0.08 -2.42 121.20 129.87 3rpb s ILE 627 Ca 0.09 0.29 0.06 0.00 -1.10 0.00 0.00 60.65 59.99 3rpb s ILE 627 Cb -0.23 -4.14 -0.01 0.00 -1.06 0.00 0.00 42.46 37.02 3rpb s ILE 627 CO -0.02 -0.47 -0.20 -0.44 -0.10 0.00 0.00 174.94 173.71 3rpb s SER 628 N 1.91 2.34 -0.16 3.58 0.01 -0.23 0.98 113.70 122.13 3rpb s SER 628 Ca 0.23 -0.36 -0.04 0.00 1.31 0.00 0.00 55.95 57.08 3rpb s SER 628 Cb -0.14 -0.31 -0.03 0.00 0.21 0.00 0.00 66.02 65.75 3rpb s SER 628 CO 0.17 0.24 -0.02 -0.69 0.41 0.00 0.00 173.24 173.34 3rpb s VAL 629 N -0.42 3.99 0.11 3.43 1.01 0.48 0.64 120.40 129.63 3rpb s VAL 629 Ca 0.06 -0.32 0.08 0.00 0.00 0.00 0.00 61.98 61.80 3rpb s VAL 629 Cb -0.08 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.51 3rpb s VAL 629 CO -0.00 0.49 -0.19 0.26 0.00 0.00 0.00 175.10 175.65 3rpb s TRP 630 N 0.40 1.67 -0.02 5.22 0.52 0.48 -1.26 118.94 125.94 3rpb s TRP 630 Ca -0.03 -0.44 -0.22 0.00 0.02 0.00 0.00 56.10 55.43 3rpb s TRP 630 Cb -0.14 -0.90 -0.05 0.00 -1.15 0.00 0.00 33.47 31.23 3rpb s TRP 630 CO 0.03 0.20 0.64 0.34 0.02 0.00 0.00 176.95 178.17 3rpb s ASP 631 N -2.04 6.99 0.24 2.95 2.15 0.70 0.15 116.67 127.80 3rpb s ASP 631 Ca 0.07 1.18 -0.13 0.00 0.43 0.00 0.00 52.55 54.10 3rpb s ASP 631 Cb -0.09 -2.39 -0.08 0.00 -0.30 0.00 0.00 42.92 40.07 3rpb s ASP 631 CO 0.04 0.02 0.61 -0.47 -0.17 0.00 0.00 175.17 175.21 3rpb s TYR 632 N 0.15 3.46 -0.28 -5.34 6.14 0.64 0.19 117.35 122.31 3rpb s TYR 632 Ca 0.33 1.03 0.00 0.00 0.64 0.00 0.00 57.07 59.08 3rpb s TYR 632 Cb -0.18 -2.38 0.17 0.00 0.42 0.00 0.00 41.96 39.99 3rpb s TYR 632 CO 0.18 0.26 0.48 -0.51 0.64 0.00 0.00 175.55 176.59 3rpb s ASP 633 N -2.17 -0.45 0.03 4.32 1.01 -1.26 -4.09 116.67 114.05 3rpb s ASP 633 Ca 0.47 0.26 -0.37 0.00 0.71 0.00 0.00 52.55 53.62 3rpb s ASP 633 Cb -0.12 1.54 -0.16 0.00 1.01 0.00 0.00 42.92 45.19 3rpb s ASP 633 CO 0.20 -0.30 1.44 2.30 0.21 0.00 0.00 175.17 179.02 3rpb n ILE 634 N 5.39 0.07 -0.26 0.77 -0.00 -1.26 0.62 119.36 124.69 3rpb n ILE 634 Ca -0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 62.75 62.73 3rpb n ILE 634 Cb 0.51 -0.98 0.00 0.00 -0.00 0.00 0.00 39.64 39.17 3rpb n ILE 634 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3rpb n GLY 635 N 2.93 2.32 3.93 3.28 0.00 -1.26 -4.99 105.19 111.40 3rpb n GLY 635 Ca 0.20 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.99 3rpb n GLY 635 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3rpb s LYS 636 N -0.02 2.37 -0.39 1.61 -0.14 0.20 -5.02 119.74 118.36 3rpb s LYS 636 Ca 0.00 -1.76 0.03 0.00 -1.36 0.00 0.00 55.97 52.88 3rpb s LYS 636 Cb 0.00 -2.33 0.54 0.00 -1.68 0.00 0.00 37.83 34.36 3rpb s LYS 636 CO 0.00 -0.53 1.79 0.43 -0.76 0.00 0.00 175.35 176.28 3rpb n SER 637 N -1.81 3.96 -1.19 2.83 7.64 -1.26 -4.77 113.62 119.02 3rpb n SER 637 Ca 0.04 -3.36 0.12 0.00 1.01 0.00 0.00 58.87 56.69 3rpb n SER 637 Cb 0.63 -0.80 -0.03 0.00 -1.01 0.00 0.00 64.21 62.99 3rpb n SER 637 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3rpb n ASN 638 N -0.84 -7.06 -3.90 6.43 3.02 -1.26 -4.98 115.26 106.68 3rpb n ASN 638 Ca 0.50 0.97 -0.10 0.00 -0.03 0.00 0.00 54.58 55.92 3rpb n ASN 638 Cb 1.40 -2.72 -0.09 0.00 -0.61 0.00 0.00 39.78 37.77 3rpb n ASN 638 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3rpb s ASP 639 N -5.85 0.12 -0.27 6.41 1.01 0.50 -4.91 116.67 113.68 3rpb s ASP 639 Ca 0.00 -0.46 -0.17 0.00 0.71 0.00 0.00 52.55 52.63 3rpb s ASP 639 Cb 0.00 0.25 -0.03 0.00 1.01 0.00 0.00 42.92 44.15 3rpb s ASP 639 CO 0.00 -0.52 0.49 -0.47 0.21 0.00 0.00 175.17 174.88 3rpb s TYR 640 N -2.53 3.25 -0.24 4.23 6.14 -1.26 0.25 117.35 127.18 3rpb s TYR 640 Ca -0.05 0.53 0.03 0.00 0.64 0.00 0.00 57.07 58.22 3rpb s TYR 640 Cb -0.01 -2.72 -0.18 0.00 0.42 0.00 0.00 41.96 39.46 3rpb s TYR 640 CO -0.04 -0.30 -0.16 -0.89 0.64 0.00 0.00 175.55 174.80 3rpb n ILE 641 N 5.19 1.50 0.00 3.14 5.41 -0.53 -4.82 119.36 129.24 3rpb n ILE 641 Ca -0.05 -0.61 0.00 0.00 1.00 0.00 0.00 62.75 63.09 3rpb n ILE 641 Cb 0.50 -1.33 0.00 0.00 -0.71 0.00 0.00 39.64 38.10 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 2.18 3.63 0.00 7.39 0.00 -0.39 -4.28 105.19 113.72 3rpb n GLY 642 Ca -0.44 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.44 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 -1.41 1.97 3.81 -0.02 0.00 0.15 0.18 105.19 109.86 3rpb n GLY 643 Ca 0.00 -0.95 -0.08 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.84 1.57 -0.34 0.00 -2.07 -1.26 -0.74 119.66 113.98 3rpb s GLN 645 Ca 0.15 -1.62 0.01 0.00 -1.82 0.00 0.00 55.36 52.08 3rpb s GLN 645 Cb -0.05 -1.79 0.15 0.00 -1.09 0.00 0.00 33.01 30.23 3rpb s GLN 645 CO 0.10 0.36 0.32 -0.51 -1.32 0.00 0.00 175.29 174.25 3rpb s LEU 646 N -3.02 -0.02 -0.01 2.60 1.43 0.73 -4.82 118.68 115.57 3rpb s LEU 646 Ca 0.24 -1.31 0.01 0.00 -1.03 0.00 0.00 54.13 52.04 3rpb s LEU 646 Cb -0.07 0.43 0.00 0.00 0.03 0.00 0.00 46.19 46.59 3rpb s LEU 646 CO 0.12 -0.32 -0.02 -0.83 0.23 0.00 0.00 176.35 175.53 3rpb s GLY 647 N 1.77 0.14 0.60 -3.19 0.00 -1.25 0.16 107.32 105.55 3rpb s GLY 647 Ca 0.14 -0.04 0.25 0.00 0.00 0.00 0.00 44.72 45.07 3rpb s GLY 647 CO -0.15 0.07 1.76 1.19 0.00 0.00 0.00 173.10 175.96 3rpb h ILE 648 N 5.35 0.00 0.00 0.90 2.10 -1.61 0.82 117.51 125.07 3rpb h ILE 648 Ca -0.30 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.64 3rpb h ILE 648 Cb 1.19 0.56 0.00 0.00 -1.09 0.00 0.00 36.82 37.48 3rpb h ILE 648 CO 0.50 0.00 0.00 -0.24 -1.08 0.00 0.00 178.15 177.33 3rpb n SER 649 N -2.71 0.00 -2.06 2.19 2.88 -1.26 -4.77 113.62 107.89 3rpb n SER 649 Ca -0.02 -0.50 0.00 0.00 -1.33 0.00 0.00 58.87 57.02 3rpb n SER 649 Cb 0.40 -0.09 0.00 0.00 -0.75 0.00 0.00 64.21 63.77 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 -1.09 0.00 -3.39 -1.46 0.00 0.29 -5.10 120.51 109.75 3rpb n ALA 650 Ca 0.15 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.47 3rpb n ALA 650 Cb 0.11 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.44 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 -2.31 0.29 1.38 0.00 0.00 -1.26 -4.72 119.74 113.11 3rpb s LYS 651 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 55.97 56.43 3rpb s LYS 651 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 37.83 37.88 3rpb s LYS 651 CO 0.00 -0.09 0.00 0.41 0.00 0.00 0.00 175.35 175.67 3rpb n GLY 652 N 3.47 1.12 0.06 0.59 0.00 -1.26 -4.36 105.19 104.82 3rpb n GLY 652 Ca -0.18 -0.93 -0.08 0.00 0.00 0.00 0.00 46.02 44.83 3rpb n GLY 652 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3rpb h GLU 653 N 0.00 -0.00 -1.72 1.61 4.81 -1.98 -2.26 114.58 115.04 3rpb h GLU 653 Ca 0.00 0.00 0.50 0.00 -0.13 0.00 0.00 59.36 59.73 3rpb h GLU 653 Cb 0.00 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.31 3rpb h GLU 653 CO 0.00 0.59 1.33 0.00 -0.73 0.00 0.00 179.01 180.20 3rpb h ARG 654 N -1.00 0.00 0.00 1.92 2.47 -1.88 0.66 114.38 116.56 3rpb h ARG 654 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3rpb h ARG 654 Cb 0.59 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.91 3rpb h ARG 654 CO 0.00 0.00 -0.39 1.25 0.56 0.00 0.00 179.97 181.39 3rpb h LEU 655 N 0.00 0.00 -0.84 3.04 5.85 -1.79 -3.15 115.31 118.42 3rpb h LEU 655 Ca 0.82 0.00 0.15 0.00 0.84 0.00 0.00 57.88 59.68 3rpb h LEU 655 Cb 3.46 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 44.34 3rpb h LEU 655 CO -0.01 0.59 -0.33 0.07 -0.34 0.00 0.00 178.44 178.43 3rpb h LYS 656 N -0.79 -0.05 0.67 1.25 2.10 -0.55 0.45 116.57 119.65 3rpb h LYS 656 Ca 0.00 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.62 3rpb h LYS 656 Cb 0.39 0.01 0.01 0.00 -0.90 0.00 0.00 32.23 31.74 3rpb h LYS 656 CO 0.00 -0.03 -0.32 1.25 -2.00 0.00 0.00 179.45 178.35 3rpb h HIS 657 N -0.05 -0.83 0.00 0.07 2.76 -1.15 -2.47 115.15 113.49 3rpb h HIS 657 Ca 0.33 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.48 3rpb h HIS 657 Cb 0.60 0.27 0.00 0.00 1.55 0.00 0.00 27.41 29.83 3rpb h HIS 657 CO -0.75 -0.52 0.00 1.87 -1.30 0.00 0.00 177.93 177.23 3rpb n TRP 658 N -4.81 0.00 -0.23 5.26 -0.00 -0.80 -3.07 117.44 113.80 3rpb n TRP 658 Ca -0.11 0.00 -0.04 0.00 -0.00 0.00 0.00 57.50 57.35 3rpb n TRP 658 Cb 0.35 0.00 -0.02 0.00 -0.00 0.00 0.00 31.31 31.64 3rpb n TRP 658 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 177.69 178.67 3rpb n TYR 659 N -0.49 -0.14 -0.32 5.87 4.19 0.15 0.11 117.16 126.54 3rpb n TYR 659 Ca 0.00 0.69 0.08 0.00 3.31 0.00 0.00 57.90 61.99 3rpb n TYR 659 Cb 0.00 -0.61 0.17 0.00 0.49 0.00 0.00 39.34 39.39 3rpb n TYR 659 CO 0.00 0.00 0.00 0.39 0.91 0.00 0.00 176.86 178.16 3rpb n GLU 660 N -4.75 -0.08 -0.39 2.98 -0.58 -0.93 0.27 120.64 117.16 3rpb n GLU 660 Ca 0.03 1.39 0.32 0.00 -0.42 0.00 0.00 57.16 58.48 3rpb n GLU 660 Cb 0.18 -2.12 0.59 0.00 -0.57 0.00 0.00 31.44 29.52 3rpb n GLU 660 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3rpb h LEU 662 N 0.16 0.56 0.13 0.00 4.07 0.37 -1.17 115.31 119.43 3rpb h LEU 662 Ca 0.78 -0.31 -0.29 0.00 0.08 0.00 0.00 57.88 58.14 3rpb h LEU 662 Cb 2.22 -0.16 0.02 0.00 1.08 0.00 0.00 40.66 43.81 3rpb h LEU 662 CO -0.48 1.01 -1.27 0.07 -1.08 0.00 0.00 178.44 176.69 3rpb h LYS 663 N 0.38 0.38 -1.70 1.13 2.10 0.27 -3.32 116.57 115.82 3rpb h LYS 663 Ca 0.00 -0.61 -0.68 0.00 -2.00 0.00 0.00 60.65 57.36 3rpb h LYS 663 Cb 1.10 0.22 -0.34 0.00 -0.90 0.00 0.00 32.23 32.32 3rpb h LYS 663 CO 0.10 1.28 0.27 0.09 -2.00 0.00 0.00 179.45 179.20 3rpb n ASN 664 N -3.62 6.34 0.00 7.07 4.13 0.46 -4.91 115.26 124.72 3rpb n ASN 664 Ca -0.11 -3.79 0.00 0.00 1.68 0.00 0.00 54.58 52.37 3rpb n ASN 664 Cb 1.02 -0.79 0.00 0.00 -1.54 0.00 0.00 39.78 38.47 3rpb n ASN 664 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 3rpb n LYS 665 N -0.55 0.00 0.32 3.52 5.02 -0.45 0.12 118.16 126.14 3rpb n LYS 665 Ca 0.48 0.33 0.13 0.00 -2.02 0.00 0.00 58.31 57.23 3rpb n LYS 665 Cb 0.46 -0.73 0.67 0.00 -0.02 0.00 0.00 35.03 35.40 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 -3.49 4.39 3.58 -1.82 -2.25 116.42 116.82 3rpb h ASP 666 Ca 0.00 0.00 -0.49 0.00 0.42 0.00 0.00 57.03 56.96 3rpb h ASP 666 Cb 0.00 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.07 3rpb h ASP 666 CO 0.00 0.00 0.06 -0.54 -2.88 0.00 0.00 179.24 175.88 3rpb s LYS 667 N -4.11 3.60 -0.03 0.28 -0.14 0.32 -4.95 119.74 114.71 3rpb s LYS 667 Ca -0.03 0.19 -0.01 0.00 -1.36 0.00 0.00 55.97 54.77 3rpb s LYS 667 Cb 0.08 -2.43 -0.04 0.00 -1.68 0.00 0.00 37.83 33.76 3rpb s LYS 667 CO 0.24 -0.09 0.06 0.15 -0.76 0.00 0.00 175.35 174.95 3rpb s LYS 668 N -4.38 3.03 -0.45 1.68 1.02 -1.26 -4.31 119.74 115.07 3rpb s LYS 668 Ca 0.47 -0.46 0.03 0.00 0.02 0.00 0.00 55.97 56.03 3rpb s LYS 668 Cb -0.10 -2.84 0.12 0.00 -0.52 0.00 0.00 37.83 34.49 3rpb s LYS 668 CO 0.40 0.66 0.20 0.42 -0.92 0.00 0.00 175.35 176.12 3rpb s ILE 669 N -1.11 2.07 -0.15 2.17 -1.09 0.25 -4.89 121.20 118.45 3rpb s ILE 669 Ca 0.20 -2.79 -0.06 0.00 -2.23 0.00 0.00 60.65 55.76 3rpb s ILE 669 Cb -0.12 -2.46 -0.04 0.00 -1.58 0.00 0.00 42.46 38.26 3rpb s ILE 669 CO 0.10 -0.78 0.07 -1.83 -1.23 0.00 0.00 174.94 171.27 3rpb s GLU 670 N 0.24 3.70 0.36 2.79 1.03 -1.26 -0.16 118.70 125.40 3rpb s GLU 670 Ca 0.16 -0.31 -0.07 0.00 0.03 0.00 0.00 54.97 54.77 3rpb s GLU 670 Cb -0.24 -3.13 0.02 0.00 -0.80 0.00 0.00 34.13 29.98 3rpb s GLU 670 CO -0.03 0.45 0.59 1.03 -1.33 0.00 0.00 175.26 175.97 3rpb s ARG 671 N -0.12 2.04 -0.13 -4.83 1.81 -0.59 -4.96 118.95 112.17 3rpb s ARG 671 Ca 0.07 -1.66 -0.02 0.00 -1.72 0.00 0.00 55.73 52.41 3rpb s ARG 671 Cb -0.12 0.51 -0.02 0.00 -0.45 0.00 0.00 34.95 34.86 3rpb s ARG 671 CO 0.01 -0.89 -0.07 -1.58 -0.68 0.00 0.00 175.30 172.09 3rpb s TRP 672 N -2.76 2.95 -0.13 -0.53 0.52 -1.26 -1.20 118.94 116.54 3rpb s TRP 672 Ca 0.25 -0.32 0.01 0.00 0.02 0.00 0.00 56.10 56.06 3rpb s TRP 672 Cb -0.02 -1.88 -0.01 0.00 -1.15 0.00 0.00 33.47 30.41 3rpb s TRP 672 CO 0.17 -0.01 -0.15 -1.01 0.02 0.00 0.00 176.95 175.97 3rpb s HIS 673 N 0.13 2.76 -0.64 -1.98 3.76 -0.64 -4.96 115.29 113.72 3rpb s HIS 673 Ca -0.03 -0.75 -0.27 0.00 -0.15 0.00 0.00 55.06 53.86 3rpb s HIS 673 Cb -0.14 -1.82 0.01 0.00 1.11 0.00 0.00 32.58 31.74 3rpb s HIS 673 CO 0.03 -0.27 1.46 1.14 -0.85 0.00 0.00 174.74 176.25 3rpb s GLN 674 N 0.38 3.12 0.06 1.40 -2.07 -1.26 -1.73 119.66 119.56 3rpb s GLN 674 Ca -0.12 0.24 -0.37 0.00 -1.82 0.00 0.00 55.36 53.28 3rpb s GLN 674 Cb -0.16 -4.20 -0.18 0.00 -1.09 0.00 0.00 33.01 27.38 3rpb s GLN 674 CO 0.06 -2.18 1.23 1.28 -1.32 0.00 0.00 175.29 174.36 3rpb n LEU 675 N 10.15 1.04 -4.70 2.60 4.77 -0.35 -4.78 117.00 125.73 3rpb n LEU 675 Ca 0.11 1.13 -0.30 0.00 -0.03 0.00 0.00 56.01 56.92 3rpb n LEU 675 Cb 0.50 -1.10 -0.09 0.00 -2.33 0.00 0.00 43.42 40.40 3rpb n LEU 675 CO 0.71 -1.38 -0.26 -1.10 -1.33 0.00 0.00 177.39 174.02 3rpb s GLN 676 N 0.24 2.09 -0.45 3.23 -0.21 0.62 -4.57 119.66 120.61 3rpb s GLN 676 Ca 0.86 -2.25 -0.10 0.00 0.02 0.00 0.00 55.36 53.89 3rpb s GLN 676 Cb -1.05 -1.60 0.10 0.00 1.00 0.00 0.00 33.01 31.45 3rpb s GLN 676 CO 0.51 -0.22 0.31 -0.80 -2.12 0.00 0.00 175.29 172.97 3rpb s ASN 677 N -3.81 5.70 0.00 5.90 0.01 -1.26 0.29 114.94 121.76 3rpb s ASN 677 Ca 0.20 -1.69 0.00 0.00 -0.71 0.00 0.00 52.86 50.66 3rpb s ASN 677 Cb 0.05 -2.01 0.00 0.00 0.41 0.00 0.00 41.25 39.70 3rpb s ASN 677 CO 0.11 -0.62 0.36 1.21 -1.51 0.00 0.00 177.10 176.65 3rpb n GLU 678 N 4.93 0.00 -3.64 -0.60 2.13 -1.26 -4.91 120.64 117.29 3rpb n GLU 678 Ca -0.09 0.16 -0.13 0.00 0.66 0.00 0.00 57.16 57.76 3rpb n GLU 678 Cb 0.42 -0.86 -0.07 0.00 0.27 0.00 0.00 31.44 31.19 3rpb n GLU 678 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 3rpb s ASN 679 N -2.44 -0.74 0.00 4.31 2.47 -1.26 -5.20 114.94 112.08 3rpb s ASN 679 Ca 0.00 1.39 0.12 0.00 0.42 0.00 0.00 52.86 54.78 3rpb s ASN 679 Cb 0.00 1.38 0.09 0.00 -1.45 0.00 0.00 41.25 41.28 3rpb s ASN 679 CO 0.00 -0.24 0.87 1.41 -3.72 0.00 0.00 177.10 175.42