#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dgx s SER 547 N 0.00 6.46 0.83 1.61 0.15 -1.26 -5.02 113.70 116.47 2dgx s SER 547 Ca 0.00 2.78 -0.08 0.00 0.70 0.00 0.00 55.95 59.34 2dgx s SER 547 Cb 0.00 -2.65 0.16 0.00 -1.71 0.00 0.00 66.02 61.82 2dgx s SER 547 CO 0.00 -0.76 1.15 -0.44 1.20 0.00 0.00 173.24 174.39 2dgx s SER 548 N -0.49 3.82 0.01 5.45 0.01 -1.26 -4.95 113.70 116.29 2dgx s SER 548 Ca 0.53 -0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.78 2dgx s SER 548 Cb -0.41 -0.23 0.00 0.00 0.21 0.00 0.00 66.02 65.59 2dgx s SER 548 CO 0.54 -2.24 0.00 0.61 0.41 0.00 0.00 173.24 172.56 2dgx n GLY 549 N -3.27 -1.10 3.94 3.44 0.00 -1.26 -4.91 105.19 102.03 2dgx n GLY 549 Ca 0.15 -1.24 -0.33 0.00 0.00 0.00 0.00 46.02 44.59 2dgx n GLY 549 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dgx n SER 550 N 0.31 -1.22 -3.92 1.61 7.64 -1.26 -4.87 113.62 111.90 2dgx n SER 550 Ca 0.00 -1.00 -0.27 0.00 1.01 0.00 0.00 58.87 58.61 2dgx n SER 550 Cb 0.00 -1.28 -0.17 0.00 -1.01 0.00 0.00 64.21 61.75 2dgx n SER 550 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dgx s SER 551 N -2.94 2.22 -1.39 6.43 0.01 -1.26 -4.79 113.70 111.97 2dgx s SER 551 Ca 0.60 -0.32 -0.09 0.00 1.31 0.00 0.00 55.95 57.45 2dgx s SER 551 Cb -0.35 -0.88 0.03 0.00 0.21 0.00 0.00 66.02 65.03 2dgx s SER 551 CO 0.82 -0.11 1.08 0.61 0.41 0.00 0.00 173.24 176.06 2dgx n GLY 552 N 4.87 -0.50 0.11 3.44 0.00 -1.26 -4.92 105.19 106.92 2dgx n GLY 552 Ca -0.13 0.22 -0.18 0.00 0.00 0.00 0.00 46.02 45.92 2dgx n GLY 552 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2dgx n ASN 553 N -2.98 1.90 -3.62 1.61 2.85 -1.26 -4.89 115.26 108.87 2dgx n ASN 553 Ca -0.03 0.42 0.01 0.00 -0.11 0.00 0.00 54.58 54.86 2dgx n ASN 553 Cb 0.57 -0.85 -0.06 0.00 1.24 0.00 0.00 39.78 40.68 2dgx n ASN 553 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 2dgx s GLY 554 N -4.95 0.34 -0.25 8.20 0.00 -1.26 -5.06 107.32 104.33 2dgx s GLY 554 Ca -0.29 3.53 -0.01 0.00 0.00 0.00 0.00 44.72 47.95 2dgx s GLY 554 CO 0.45 2.74 0.02 0.00 0.00 0.00 0.00 173.10 176.31 2dgx s ALA 555 N 1.25 1.60 -0.40 3.20 0.00 -1.23 -4.80 121.76 121.37 2dgx s ALA 555 Ca -0.08 -1.31 -0.18 0.00 0.00 0.00 0.00 51.96 50.39 2dgx s ALA 555 Cb -0.03 -1.44 0.01 0.00 0.00 0.00 0.00 23.12 21.66 2dgx s ALA 555 CO -0.12 -1.35 0.47 -0.51 0.00 0.00 0.00 175.76 174.24 2dgx s ASP 556 N 1.57 6.23 -0.51 0.00 1.11 -1.25 -0.88 116.67 122.94 2dgx s ASP 556 Ca 0.01 -0.44 -0.19 0.00 0.18 0.00 0.00 52.55 52.11 2dgx s ASP 556 Cb -0.18 -2.24 0.06 0.00 1.07 0.00 0.00 42.92 41.63 2dgx s ASP 556 CO -0.12 -0.56 0.61 -0.69 1.18 0.00 0.00 175.17 175.59 2dgx s VAL 557 N 2.27 4.90 -0.19 -1.27 1.01 -0.53 -1.09 120.40 125.49 2dgx s VAL 557 Ca 0.15 -0.57 -0.29 0.00 0.00 0.00 0.00 61.98 61.26 2dgx s VAL 557 Cb -0.16 -4.29 -0.02 0.00 0.00 0.00 0.00 36.38 31.90 2dgx s VAL 557 CO 0.14 -0.80 1.49 -1.10 0.00 0.00 0.00 175.10 174.83 2dgx s GLN 558 N 2.54 3.98 -0.13 2.72 -1.52 0.43 -0.77 119.66 126.92 2dgx s GLN 558 Ca 0.14 1.69 -0.07 0.00 -1.95 0.00 0.00 55.36 55.17 2dgx s GLN 558 Cb -0.20 -3.94 -0.04 0.00 -0.22 0.00 0.00 33.01 28.61 2dgx s GLN 558 CO 0.11 -1.05 0.11 0.08 -0.25 0.00 0.00 175.29 174.29 2dgx s VAL 559 N 4.47 5.27 0.18 1.09 1.01 0.14 -0.87 120.40 131.67 2dgx s VAL 559 Ca 0.65 0.12 -0.01 0.00 0.00 0.00 0.00 61.98 62.74 2dgx s VAL 559 Cb -0.24 -3.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.80 2dgx s VAL 559 CO 0.25 0.59 0.11 -0.94 0.00 0.00 0.00 175.10 175.11 2dgx s SER 560 N -0.78 0.20 -1.26 3.32 1.04 -0.23 -2.09 113.70 113.91 2dgx s SER 560 Ca 0.13 -1.31 -0.01 0.00 0.48 0.00 0.00 55.95 55.25 2dgx s SER 560 Cb -0.12 0.35 -0.00 0.00 0.10 0.00 0.00 66.02 66.35 2dgx s SER 560 CO 0.03 -0.81 0.81 -3.20 0.98 0.00 0.00 173.24 171.05 2dgx n ASN 561 N -0.21 -1.66 -4.60 7.02 5.15 -1.26 -0.23 115.26 119.47 2dgx n ASN 561 Ca -0.01 -0.75 -0.41 0.00 -0.60 0.00 0.00 54.58 52.81 2dgx n ASN 561 Cb 0.65 -4.45 -0.06 0.00 -0.53 0.00 0.00 39.78 35.39 2dgx n ASN 561 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2dgx s ILE 562 N -3.55 4.93 -0.84 -1.44 1.01 -1.22 -3.63 121.20 116.46 2dgx s ILE 562 Ca 0.02 0.83 -0.21 0.00 0.00 0.00 0.00 60.65 61.30 2dgx s ILE 562 Cb -0.00 -4.01 -0.19 0.00 0.01 0.00 0.00 42.46 38.26 2dgx s ILE 562 CO 0.78 -0.16 2.25 -0.90 0.00 0.00 0.00 174.94 176.91 2dgx n ASP 563 N 5.91 0.76 -0.31 3.58 5.68 -1.26 -4.65 116.55 126.25 2dgx n ASP 563 Ca -0.01 -1.37 0.19 0.00 -0.50 0.00 0.00 54.79 53.10 2dgx n ASP 563 Cb 0.49 -1.34 0.45 0.00 -1.14 0.00 0.00 41.12 39.58 2dgx n ASP 563 CO 0.00 0.00 0.00 0.10 -1.33 0.00 0.00 177.20 175.97 2dgx h TYR 564 N 11.98 0.76 -0.83 2.11 -0.00 -1.90 -1.48 116.97 127.61 2dgx h TYR 564 Ca 0.01 0.03 0.25 0.00 -0.00 0.00 0.00 58.73 59.02 2dgx h TYR 564 Cb 1.03 -0.23 -0.15 0.00 -0.00 0.00 0.00 36.73 37.38 2dgx h TYR 564 CO 1.22 0.12 0.11 0.54 -0.00 0.00 0.00 178.16 180.15 2dgx n ARG 565 N -4.65 -0.06 -2.30 0.10 1.74 -1.26 -4.33 116.66 105.89 2dgx n ARG 565 Ca 0.24 1.22 -0.35 0.00 -0.77 0.00 0.00 57.85 58.19 2dgx n ARG 565 Cb 0.75 -2.00 -0.00 0.00 -1.02 0.00 0.00 32.46 30.19 2dgx n ARG 565 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2dgx s LEU 566 N -10.25 3.77 0.65 0.55 1.43 -0.56 -4.99 118.68 109.27 2dgx s LEU 566 Ca -0.10 2.15 -0.18 0.00 -1.03 0.00 0.00 54.13 54.97 2dgx s LEU 566 Cb 0.25 -4.57 -0.01 0.00 0.03 0.00 0.00 46.19 41.89 2dgx s LEU 566 CO 0.65 -1.15 1.23 -0.44 0.23 0.00 0.00 176.35 176.87 2dgx s SER 567 N -1.79 4.75 0.53 2.29 0.01 -1.26 -4.80 113.70 113.43 2dgx s SER 567 Ca 0.72 2.45 0.18 0.00 1.31 0.00 0.00 55.95 60.61 2dgx s SER 567 Cb -0.23 -2.60 1.33 0.00 0.21 0.00 0.00 66.02 64.73 2dgx s SER 567 CO 0.26 -1.89 2.14 0.03 0.41 0.00 0.00 173.24 174.18 2dgx h ARG 568 N 0.47 0.00 -0.00 12.44 3.08 -1.94 -0.26 114.38 128.17 2dgx h ARG 568 Ca -0.50 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.37 2dgx h ARG 568 Cb 1.31 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.34 2dgx h ARG 568 CO 0.53 0.00 -0.83 0.87 -1.07 0.00 0.00 179.97 179.47 2dgx h LYS 569 N 0.00 0.14 0.00 0.04 1.57 -1.99 -2.20 116.57 114.14 2dgx h LYS 569 Ca 0.03 -0.15 -0.08 0.00 -1.87 0.00 0.00 60.65 58.58 2dgx h LYS 569 Cb 0.13 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 2dgx h LYS 569 CO -0.00 0.89 -0.41 1.49 -0.57 0.00 0.00 179.45 180.85 2dgx h GLU 570 N 0.08 0.00 0.12 3.15 4.57 -1.52 -2.64 114.58 118.34 2dgx h GLU 570 Ca -0.03 0.00 -0.29 0.00 -1.18 0.00 0.00 59.36 57.86 2dgx h GLU 570 Cb 1.45 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 30.04 2dgx h GLU 570 CO 0.12 0.39 -1.40 -0.07 -1.18 0.00 0.00 179.01 176.87 2dgx h LEU 571 N 0.00 0.41 -0.12 1.64 3.38 -1.07 -2.48 115.31 117.07 2dgx h LEU 571 Ca -0.01 -0.50 -0.03 0.00 0.09 0.00 0.00 57.88 57.44 2dgx h LEU 571 Cb 1.31 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 2dgx h LEU 571 CO 0.05 1.41 -0.13 0.06 0.09 0.00 0.00 178.44 179.91 2dgx h GLN 572 N 0.07 0.00 0.15 1.13 -0.00 -1.46 -2.80 115.11 112.20 2dgx h GLN 572 Ca -0.19 0.00 -0.34 0.00 -0.00 0.00 0.00 58.65 58.11 2dgx h GLN 572 Cb 2.00 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 29.48 2dgx h GLN 572 CO 0.18 0.13 -1.75 -0.56 -0.00 0.00 0.00 178.83 176.84 2dgx h GLN 573 N 0.00 0.31 0.05 0.06 -0.00 -1.54 -3.25 115.11 110.74 2dgx h GLN 573 Ca -0.00 -0.53 -0.00 0.00 -0.00 0.00 0.00 58.65 58.11 2dgx h GLN 573 Cb 1.06 0.20 0.00 0.00 -0.00 0.00 0.00 27.48 28.74 2dgx h GLN 573 CO 0.02 1.20 -0.02 -0.07 -0.00 0.00 0.00 178.83 179.95 2dgx h LEU 574 N 0.09 -0.06 -0.20 0.06 3.38 -1.50 -2.36 115.31 114.71 2dgx h LEU 574 Ca -0.33 -0.37 0.06 0.00 0.09 0.00 0.00 57.88 57.32 2dgx h LEU 574 Cb 2.06 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 42.76 2dgx h LEU 574 CO 0.15 0.35 -0.23 -0.07 0.09 0.00 0.00 178.44 178.73 2dgx h LEU 575 N -0.48 -0.72 -1.35 1.67 3.38 -1.67 0.13 115.31 116.26 2dgx h LEU 575 Ca -0.01 0.13 0.07 0.00 0.09 0.00 0.00 57.88 58.16 2dgx h LEU 575 Cb 0.43 0.34 -0.05 0.00 0.09 0.00 0.00 40.66 41.47 2dgx h LEU 575 CO 0.01 -0.27 0.50 -0.61 0.09 0.00 0.00 178.44 178.16 2dgx h GLN 576 N -0.25 0.75 -0.15 1.13 4.15 -1.60 -1.00 115.11 118.13 2dgx h GLN 576 Ca 0.12 -0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.46 2dgx h GLN 576 Cb 0.44 -0.17 -0.00 0.00 0.21 0.00 0.00 27.48 27.96 2dgx h GLN 576 CO -0.35 0.49 -0.05 0.93 -1.93 0.00 0.00 178.83 177.93 2dgx h GLU 577 N 0.77 0.30 0.35 1.69 4.39 -0.57 -0.87 114.58 120.64 2dgx h GLU 577 Ca 0.33 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 59.90 2dgx h GLU 577 Cb 0.30 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.93 2dgx h GLU 577 CO -0.12 0.59 -0.19 0.00 -1.16 0.00 0.00 179.01 178.14 2dgx h ALA 578 N 0.70 -0.50 -0.14 3.43 0.00 -0.20 -2.39 119.26 120.17 2dgx h ALA 578 Ca 0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2dgx h ALA 578 Cb 0.48 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2dgx h ALA 578 CO 0.02 -0.79 0.03 0.74 0.00 0.00 0.00 179.25 179.25 2dgx h PHE 579 N -0.50 0.18 -0.83 0.00 0.04 -1.25 -2.13 116.94 112.44 2dgx h PHE 579 Ca -0.04 -0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.70 2dgx h PHE 579 Cb 0.40 -0.06 -0.04 0.00 2.20 0.00 0.00 35.95 38.45 2dgx h PHE 579 CO -0.07 0.18 0.43 0.00 -0.60 0.00 0.00 178.31 178.25 2dgx h ALA 580 N 1.84 1.19 -0.02 2.45 0.00 -0.67 -1.33 119.26 122.73 2dgx h ALA 580 Ca 0.05 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2dgx h ALA 580 Cb 0.09 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 2dgx h ALA 580 CO -0.00 0.63 0.11 0.00 0.00 0.00 0.00 179.25 179.99 2dgx h ARG 581 N 1.17 0.00 0.00 0.00 3.08 -0.91 -3.17 114.38 114.54 2dgx h ARG 581 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.34 2dgx h ARG 581 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.11 2dgx h ARG 581 CO -0.04 0.00 -0.22 0.72 -1.07 0.00 0.00 179.97 179.35 2dgx n HIS 582 N -3.13 0.18 0.00 3.04 8.25 -0.58 -5.08 115.22 117.90 2dgx n HIS 582 Ca -0.02 0.08 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 2dgx n HIS 582 Cb 0.18 -0.31 0.00 0.00 1.12 0.00 0.00 29.99 30.97 2dgx n HIS 582 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2dgx n GLY 583 N 1.62 2.88 2.89 -1.41 0.00 -0.74 -5.08 105.19 105.35 2dgx n GLY 583 Ca -0.03 -0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.47 2dgx n GLY 583 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dgx s LYS 584 N 3.54 1.40 0.21 1.61 2.47 -1.26 -4.57 119.74 123.13 2dgx s LYS 584 Ca 0.00 -0.77 -0.31 0.00 -1.56 0.00 0.00 55.97 53.34 2dgx s LYS 584 Cb 0.00 -2.36 -0.10 0.00 -1.46 0.00 0.00 37.83 33.91 2dgx s LYS 584 CO 0.00 -0.57 1.47 0.08 0.16 0.00 0.00 175.35 176.50 2dgx s VAL 585 N 1.54 2.70 -0.21 4.02 1.01 -1.26 -1.80 120.40 126.40 2dgx s VAL 585 Ca -0.03 0.56 -0.17 0.00 0.00 0.00 0.00 61.98 62.34 2dgx s VAL 585 Cb -0.18 -3.35 -0.12 0.00 0.00 0.00 0.00 36.38 32.73 2dgx s VAL 585 CO -0.07 0.07 -0.09 1.17 0.00 0.00 0.00 175.10 176.18 2dgx n LYS 586 N 2.97 0.54 -3.80 2.72 3.00 0.11 -4.75 118.16 118.95 2dgx n LYS 586 Ca 0.09 0.44 -0.08 0.00 -0.00 0.00 0.00 58.31 58.76 2dgx n LYS 586 Cb 0.40 -1.63 -0.03 0.00 0.00 0.00 0.00 35.03 33.77 2dgx n LYS 586 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 2dgx s SER 587 N -6.67 -0.28 -0.09 3.14 1.04 -0.73 -4.98 113.70 105.13 2dgx s SER 587 Ca -0.29 -0.55 -0.03 0.00 0.48 0.00 0.00 55.95 55.56 2dgx s SER 587 Cb 0.07 0.68 0.05 0.00 0.10 0.00 0.00 66.02 66.92 2dgx s SER 587 CO 0.47 -1.24 0.14 -0.69 0.98 0.00 0.00 173.24 172.90 2dgx s VAL 588 N -3.90 -0.22 -0.06 5.02 1.01 -1.26 -0.52 120.40 120.46 2dgx s VAL 588 Ca 0.11 0.29 0.05 0.00 0.00 0.00 0.00 61.98 62.43 2dgx s VAL 588 Cb -0.04 -0.32 -0.01 0.00 0.00 0.00 0.00 36.38 36.01 2dgx s VAL 588 CO 0.03 0.09 -0.22 -1.61 0.00 0.00 0.00 175.10 173.39 2dgx s GLU 589 N 2.26 2.59 0.01 2.72 0.41 -0.91 -5.02 118.70 120.76 2dgx s GLU 589 Ca 0.04 -0.85 0.02 0.00 -0.41 0.00 0.00 54.97 53.77 2dgx s GLU 589 Cb -0.13 -2.24 -0.04 0.00 -1.78 0.00 0.00 34.13 29.95 2dgx s GLU 589 CO -0.06 0.42 0.01 -0.51 -0.49 0.00 0.00 175.26 174.64 2dgx s LEU 590 N -0.25 3.56 0.52 1.80 1.43 -1.26 -1.35 118.68 123.13 2dgx s LEU 590 Ca -0.01 -0.01 -0.18 0.00 -1.03 0.00 0.00 54.13 52.90 2dgx s LEU 590 Cb -0.13 -2.09 -0.07 0.00 0.03 0.00 0.00 46.19 43.93 2dgx s LEU 590 CO 0.03 0.26 1.02 -0.44 0.23 0.00 0.00 176.35 177.45 2dgx s SER 591 N -1.71 6.31 0.03 2.29 0.01 0.18 -4.94 113.70 115.87 2dgx s SER 591 Ca 0.21 1.76 0.15 0.00 1.31 0.00 0.00 55.95 59.38 2dgx s SER 591 Cb -0.12 -2.53 0.65 0.00 0.21 0.00 0.00 66.02 64.23 2dgx s SER 591 CO 0.12 -0.80 1.49 -0.81 0.41 0.00 0.00 173.24 173.65 2dgx n PRO 592 N -1.46 0.02 -1.99 12.44 -0.04 -1.26 -4.69 135.00 138.03 2dgx n PRO 592 Ca 0.08 0.28 -0.43 0.00 -0.04 0.00 0.00 63.50 63.39 2dgx n PRO 592 Cb 0.53 -1.55 -0.03 0.00 -0.04 0.00 0.00 33.50 32.42 2dgx n PRO 592 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2dgx s HIS 593 N -3.04 1.78 -0.41 0.54 3.76 -1.26 -4.86 115.29 111.80 2dgx s HIS 593 Ca 0.07 0.64 0.00 0.00 -0.15 0.00 0.00 55.06 55.62 2dgx s HIS 593 Cb 0.09 -4.12 0.37 0.00 1.11 0.00 0.00 32.58 30.04 2dgx s HIS 593 CO 0.28 -2.94 1.89 0.25 -0.85 0.00 0.00 174.74 173.36 2dgx n THR 594 N 7.42 2.92 -4.23 1.30 -2.24 -1.26 -4.13 114.28 114.06 2dgx n THR 594 Ca 0.23 -1.88 -0.17 0.00 -2.27 0.00 0.00 64.05 59.96 2dgx n THR 594 Cb 0.47 -1.03 -0.08 0.00 -2.10 0.00 0.00 70.33 67.59 2dgx n THR 594 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2dgx s ASP 595 N -0.65 1.22 0.52 3.42 1.11 -1.26 -5.00 116.67 116.04 2dgx s ASP 595 Ca 0.43 -1.63 0.44 0.00 0.18 0.00 0.00 52.55 51.98 2dgx s ASP 595 Cb 0.35 0.54 1.51 0.00 1.07 0.00 0.00 42.92 46.39 2dgx s ASP 595 CO 0.02 -1.06 1.42 0.00 1.18 0.00 0.00 175.17 176.73 2dgx n TYR 596 N -0.54 0.00 -0.09 4.23 4.11 -1.26 0.13 117.16 123.74 2dgx n TYR 596 Ca 0.05 0.00 -0.06 0.00 -0.00 0.00 0.00 57.90 57.90 2dgx n TYR 596 Cb 0.63 -0.43 0.02 0.00 -0.00 0.00 0.00 39.34 39.56 2dgx n TYR 596 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.86 177.90 2dgx n GLN 597 N -3.69 1.28 -2.78 -3.48 6.02 -1.26 -4.70 117.38 108.78 2dgx n GLN 597 Ca 0.39 -0.59 -0.43 0.00 -0.01 0.00 0.00 57.00 56.36 2dgx n GLN 597 Cb 1.82 -1.23 -0.04 0.00 1.02 0.00 0.00 30.24 31.81 2dgx n GLN 597 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 2dgx s LEU 598 N -0.67 3.95 0.47 1.08 2.96 0.34 -4.69 118.68 122.11 2dgx s LEU 598 Ca 0.12 -0.22 0.08 0.00 -0.22 0.00 0.00 54.13 53.88 2dgx s LEU 598 Cb 0.09 -2.93 0.01 0.00 0.50 0.00 0.00 46.19 43.87 2dgx s LEU 598 CO 0.01 -1.27 0.50 -0.54 -1.32 0.00 0.00 176.35 173.72 2dgx s LYS 599 N 4.16 2.51 0.25 1.98 1.02 -1.26 -3.38 119.74 125.02 2dgx s LYS 599 Ca 0.34 -1.57 -0.22 0.00 0.02 0.00 0.00 55.97 54.54 2dgx s LYS 599 Cb -0.11 -2.46 0.03 0.00 -0.52 0.00 0.00 37.83 34.77 2dgx s LYS 599 CO 0.21 -0.40 0.79 0.00 -0.92 0.00 0.00 175.35 175.04 2dgx s ALA 600 N -2.53 -1.32 -0.13 5.17 0.00 -0.89 -0.65 121.76 121.42 2dgx s ALA 600 Ca 0.50 -0.22 -0.04 0.00 0.00 0.00 0.00 51.96 52.20 2dgx s ALA 600 Cb -0.05 0.78 0.06 0.00 0.00 0.00 0.00 23.12 23.91 2dgx s ALA 600 CO 0.30 -1.04 0.12 0.08 0.00 0.00 0.00 175.76 175.22 2dgx s VAL 601 N -3.63 -0.17 -0.41 0.00 1.01 -0.46 0.24 120.40 116.98 2dgx s VAL 601 Ca 0.12 0.08 -0.17 0.00 0.00 0.00 0.00 61.98 62.00 2dgx s VAL 601 Cb -0.05 -0.45 0.02 0.00 0.00 0.00 0.00 36.38 35.90 2dgx s VAL 601 CO 0.06 -0.08 0.43 -0.69 0.00 0.00 0.00 175.10 174.82 2dgx s VAL 602 N 2.21 5.09 0.14 2.92 1.01 0.05 -2.14 120.40 129.68 2dgx s VAL 602 Ca 0.04 -0.25 -0.29 0.00 0.00 0.00 0.00 61.98 61.48 2dgx s VAL 602 Cb -0.14 -4.00 -0.07 0.00 0.00 0.00 0.00 36.38 32.17 2dgx s VAL 602 CO -0.08 -0.37 0.90 -1.58 0.00 0.00 0.00 175.10 173.98 2dgx s GLN 603 N 2.14 4.69 0.21 2.72 0.74 0.32 -1.46 119.66 129.02 2dgx s GLN 603 Ca 0.12 1.37 0.09 0.00 0.05 0.00 0.00 55.36 56.99 2dgx s GLN 603 Cb -0.17 -3.34 -0.04 0.00 1.10 0.00 0.00 33.01 30.56 2dgx s GLN 603 CO 0.13 0.34 -0.09 -1.64 -0.55 0.00 0.00 175.29 173.49 2dgx s MET 604 N -0.43 2.06 -0.06 1.67 -1.94 -0.06 0.09 119.30 120.63 2dgx s MET 604 Ca 0.43 -1.37 -0.26 0.00 -1.71 0.00 0.00 55.69 52.78 2dgx s MET 604 Cb -0.23 -2.11 -0.21 0.00 2.01 0.00 0.00 34.83 34.29 2dgx s MET 604 CO 0.29 0.40 1.08 0.93 -0.01 0.00 0.00 175.02 177.71 2dgx h GLU 605 N 2.58 -0.04 -5.92 2.03 5.08 -1.65 -3.26 114.58 113.40 2dgx h GLU 605 Ca -0.45 0.00 -0.63 0.00 -1.00 0.00 0.00 59.36 57.28 2dgx h GLU 605 Cb 1.22 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 30.42 2dgx h GLU 605 CO 0.56 0.57 -0.52 1.21 -1.00 0.00 0.00 179.01 179.83 2dgx s ASN 606 N -5.78 6.18 -0.01 1.42 2.47 -1.26 -4.38 114.94 113.58 2dgx s ASN 606 Ca -0.16 0.25 -0.23 0.00 0.42 0.00 0.00 52.86 53.14 2dgx s ASN 606 Cb 0.00 -1.88 -0.13 0.00 -1.45 0.00 0.00 41.25 37.79 2dgx s ASN 606 CO 0.64 0.21 0.97 0.25 -3.72 0.00 0.00 177.10 175.46 2dgx h LEU 607 N 3.48 -0.58 -0.85 3.21 7.12 -1.87 -3.19 115.31 122.64 2dgx h LEU 607 Ca -0.47 -0.04 0.14 0.00 0.13 0.00 0.00 57.88 57.64 2dgx h LEU 607 Cb 1.17 0.15 -0.09 0.00 -0.53 0.00 0.00 40.66 41.36 2dgx h LEU 607 CO 0.71 -0.17 0.44 -0.61 -0.13 0.00 0.00 178.44 178.68 2dgx h GLN 608 N -1.10 0.64 -1.00 1.25 4.15 -1.96 0.55 115.11 117.63 2dgx h GLN 608 Ca -0.07 -0.04 0.25 0.00 0.77 0.00 0.00 58.65 59.57 2dgx h GLN 608 Cb 0.58 -0.14 -0.08 0.00 0.21 0.00 0.00 27.48 28.05 2dgx h GLN 608 CO 0.11 0.42 0.66 -0.44 -1.93 0.00 0.00 178.83 177.66 2dgx h ASP 609 N 0.66 0.35 -0.00 -0.69 3.32 -1.98 -1.06 116.42 117.01 2dgx h ASP 609 Ca 0.45 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.55 2dgx h ASP 609 Cb 0.60 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.15 2dgx h ASP 609 CO -0.34 0.10 -0.01 0.00 -1.72 0.00 0.00 179.24 177.27 2dgx h ALA 610 N 1.59 0.00 -0.54 3.45 0.00 -0.88 -2.91 119.26 119.97 2dgx h ALA 610 Ca 0.54 -0.36 0.05 0.00 0.00 0.00 0.00 54.91 55.14 2dgx h ALA 610 Cb 1.50 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 19.22 2dgx h ALA 610 CO -0.20 -0.14 -0.32 -0.89 0.00 0.00 0.00 179.25 177.70 2dgx n ILE 611 N -4.74 -0.37 0.04 0.00 5.41 -0.41 -0.27 119.36 119.01 2dgx n ILE 611 Ca -0.09 1.78 -0.12 0.00 1.00 0.00 0.00 62.75 65.32 2dgx n ILE 611 Cb 0.35 -2.24 -0.07 0.00 -0.71 0.00 0.00 39.64 36.97 2dgx n ILE 611 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 2dgx h GLY 612 N 0.00 -0.00 -0.38 7.39 0.00 -1.67 -2.40 103.07 106.01 2dgx h GLY 612 Ca 0.09 0.00 0.32 0.00 0.00 0.00 0.00 47.33 47.74 2dgx h GLY 612 CO -0.51 -0.00 0.77 0.00 0.00 0.00 0.00 176.54 176.80 2dgx h ALA 613 N 0.95 2.63 0.33 3.60 0.00 -0.84 0.80 119.26 126.73 2dgx h ALA 613 Ca -0.00 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2dgx h ALA 613 Cb 0.05 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2dgx h ALA 613 CO 0.00 -1.05 -0.16 0.28 0.00 0.00 0.00 179.25 178.32 2dgx h VAL 614 N 0.21 0.00 0.00 0.00 2.07 -0.16 0.26 116.25 118.64 2dgx h VAL 614 Ca 0.62 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 67.46 2dgx h VAL 614 Cb 1.95 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 2dgx h VAL 614 CO -0.21 0.00 0.00 0.78 0.02 0.00 0.00 177.57 178.16 2dgx h ASN 615 N -1.12 0.00 0.00 0.57 2.35 -0.89 0.13 115.58 116.61 2dgx h ASN 615 Ca -0.05 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.70 2dgx h ASN 615 Cb 0.34 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.71 2dgx h ASN 615 CO 0.08 0.00 -0.58 -1.20 -1.65 0.00 0.00 177.43 174.07 2dgx n SER 616 N -2.61 1.83 0.01 5.81 7.64 0.27 -4.22 113.62 122.35 2dgx n SER 616 Ca -0.01 0.60 0.05 0.00 1.01 0.00 0.00 58.87 60.52 2dgx n SER 616 Cb 0.11 -0.86 0.22 0.00 -1.01 0.00 0.00 64.21 62.68 2dgx n SER 616 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2dgx n LEU 617 N -4.59 0.05 -4.67 -3.43 4.77 0.92 -4.79 117.00 105.25 2dgx n LEU 617 Ca -0.08 0.52 -0.60 0.00 -0.03 0.00 0.00 56.01 55.81 2dgx n LEU 617 Cb 0.30 -0.51 -0.08 0.00 -2.33 0.00 0.00 43.42 40.80 2dgx n LEU 617 CO 0.12 -0.37 1.09 1.57 -1.33 0.00 0.00 177.39 178.47 2dgx n HIS 618 N -1.56 1.67 -3.23 -1.77 -0.00 0.43 0.73 115.22 111.49 2dgx n HIS 618 Ca 0.02 0.82 -0.23 0.00 0.46 0.00 0.00 57.72 58.79 2dgx n HIS 618 Cb 0.11 -2.31 0.04 0.00 -0.12 0.00 0.00 29.99 27.71 2dgx n HIS 618 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 2dgx n ARG 619 N 3.92 -5.66 -1.95 1.57 5.12 0.23 -4.88 116.66 115.00 2dgx n ARG 619 Ca 0.26 0.85 -0.43 0.00 -1.93 0.00 0.00 57.85 56.60 2dgx n ARG 619 Cb 0.07 -5.76 -0.03 0.00 -1.16 0.00 0.00 32.46 25.58 2dgx n ARG 619 CO 0.00 0.00 0.00 -0.47 -1.93 0.00 0.00 177.63 175.23 2dgx s TYR 620 N -3.21 1.74 -0.91 -1.55 5.04 0.22 -4.62 117.35 114.06 2dgx s TYR 620 Ca 0.40 0.58 -0.17 0.00 -2.44 0.00 0.00 57.07 55.44 2dgx s TYR 620 Cb -0.18 -4.09 -0.26 0.00 0.35 0.00 0.00 41.96 37.78 2dgx s TYR 620 CO 0.50 -3.16 2.28 1.17 -1.34 0.00 0.00 175.55 175.00 2dgx n LYS 621 N 8.38 0.22 -4.38 4.97 0.00 -1.26 -3.35 118.16 122.74 2dgx n LYS 621 Ca 0.23 -0.28 -0.26 0.00 0.00 0.00 0.00 58.31 58.00 2dgx n LYS 621 Cb 0.46 -2.01 -0.10 0.00 0.00 0.00 0.00 35.03 33.38 2dgx n LYS 621 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2dgx s ILE 622 N 5.94 2.72 0.00 3.15 1.01 -1.15 -5.02 121.20 127.85 2dgx s ILE 622 Ca 1.18 -1.99 0.00 0.00 0.00 0.00 0.00 60.65 59.84 2dgx s ILE 622 Cb -0.62 -2.36 0.00 0.00 0.01 0.00 0.00 42.46 39.49 2dgx s ILE 622 CO 0.39 -0.20 0.00 0.61 0.00 0.00 0.00 174.94 175.75 2dgx n GLY 623 N -0.09 1.55 0.01 6.18 0.00 -1.26 -1.11 105.19 110.47 2dgx n GLY 623 Ca -0.10 0.40 0.01 0.00 0.00 0.00 0.00 46.02 46.32 2dgx n GLY 623 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dgx n SER 624 N 2.59 1.76 -3.92 1.61 2.88 -1.26 -5.04 113.62 112.24 2dgx n SER 624 Ca 0.00 -1.95 -0.10 0.00 -1.33 0.00 0.00 58.87 55.49 2dgx n SER 624 Cb 0.00 -0.03 -0.10 0.00 -0.75 0.00 0.00 64.21 63.33 2dgx n SER 624 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2dgx s LYS 625 N -0.99 0.49 -0.48 -1.46 1.02 -0.26 -5.02 119.74 113.03 2dgx s LYS 625 Ca 0.02 -0.60 -0.26 0.00 0.02 0.00 0.00 55.97 55.15 2dgx s LYS 625 Cb 0.02 0.19 0.03 0.00 -0.52 0.00 0.00 37.83 37.55 2dgx s LYS 625 CO 0.00 -0.11 0.97 0.15 -0.92 0.00 0.00 175.35 175.44 2dgx s LYS 626 N -1.93 3.54 0.29 1.68 3.01 -1.26 -2.92 119.74 122.15 2dgx s LYS 626 Ca -0.11 0.19 -0.29 0.00 -1.01 0.00 0.00 55.97 54.75 2dgx s LYS 626 Cb -0.05 -3.94 -0.10 0.00 -1.01 0.00 0.00 37.83 32.73 2dgx s LYS 626 CO -0.02 -1.29 1.37 0.96 0.51 0.00 0.00 175.35 176.89 2dgx s ILE 627 N 3.92 2.68 -0.36 2.17 -4.36 -1.21 -4.75 121.20 119.29 2dgx s ILE 627 Ca 0.38 0.63 -0.08 0.00 -0.26 0.00 0.00 60.65 61.32 2dgx s ILE 627 Cb -0.10 -3.40 0.04 0.00 1.25 0.00 0.00 42.46 40.25 2dgx s ILE 627 CO 0.27 0.13 0.15 -0.76 0.24 0.00 0.00 174.94 174.96 2dgx s LEU 628 N -1.12 4.53 0.23 0.37 1.43 0.68 0.74 118.68 125.54 2dgx s LEU 628 Ca 0.54 -1.15 -0.15 0.00 -1.03 0.00 0.00 54.13 52.34 2dgx s LEU 628 Cb -0.41 -1.93 -0.08 0.00 0.03 0.00 0.00 46.19 43.81 2dgx s LEU 628 CO 0.49 -0.37 0.65 -0.69 0.23 0.00 0.00 176.35 176.65 2dgx s VAL 629 N 1.45 4.74 -0.28 -1.59 1.01 -1.26 -1.07 120.40 123.41 2dgx s VAL 629 Ca -0.00 0.93 -0.22 0.00 0.00 0.00 0.00 61.98 62.69 2dgx s VAL 629 Cb -0.20 -3.72 0.08 0.00 0.00 0.00 0.00 36.38 32.54 2dgx s VAL 629 CO 0.04 0.07 0.75 -0.94 0.00 0.00 0.00 175.10 175.02 2dgx s SER 630 N -1.95 -0.77 0.81 3.32 1.04 -0.05 -4.86 113.70 111.25 2dgx s SER 630 Ca 0.45 1.39 -0.11 0.00 0.48 0.00 0.00 55.95 58.16 2dgx s SER 630 Cb -0.14 1.38 0.08 0.00 0.10 0.00 0.00 66.02 67.45 2dgx s SER 630 CO 0.20 -0.23 1.10 -0.76 0.98 0.00 0.00 173.24 174.52 2dgx s LEU 631 N 0.80 2.90 -0.13 2.42 1.43 -1.26 0.16 118.68 125.00 2dgx s LEU 631 Ca -0.03 1.85 -0.11 0.00 -1.03 0.00 0.00 54.13 54.81 2dgx s LEU 631 Cb -0.05 -4.46 0.04 0.00 0.03 0.00 0.00 46.19 41.75 2dgx s LEU 631 CO -0.07 -2.31 0.34 0.00 0.23 0.00 0.00 176.35 174.54 2dgx s ALA 632 N -2.86 -0.83 0.06 4.21 0.00 -0.25 -4.58 121.76 117.51 2dgx s ALA 632 Ca 0.62 1.01 -0.02 0.00 0.00 0.00 0.00 51.96 53.57 2dgx s ALA 632 Cb -0.18 -0.59 -0.03 0.00 0.00 0.00 0.00 23.12 22.31 2dgx s ALA 632 CO 0.57 -0.17 0.00 -0.08 0.00 0.00 0.00 175.76 176.08 2dgx s THR 633 N 0.38 0.21 0.00 0.00 -1.32 -1.26 -3.97 115.64 109.68 2dgx s THR 633 Ca -0.02 -1.71 0.00 0.00 -1.21 0.00 0.00 61.69 58.75 2dgx s THR 633 Cb -0.04 -1.49 0.00 0.00 -1.51 0.00 0.00 72.50 69.46 2dgx s THR 633 CO -0.01 -0.95 0.00 0.61 -2.21 0.00 0.00 174.62 172.06 2dgx n GLY 634 N 0.08 0.92 3.75 6.08 0.00 -1.26 -4.96 105.19 109.81 2dgx n GLY 634 Ca -0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 2dgx n GLY 634 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dgx s ALA 635 N -4.00 3.56 -0.20 4.61 0.00 -1.26 -4.94 121.76 119.53 2dgx s ALA 635 Ca 0.00 1.23 -0.07 0.00 0.00 0.00 0.00 51.96 53.12 2dgx s ALA 635 Cb 0.00 -3.51 -0.09 0.00 0.00 0.00 0.00 23.12 19.51 2dgx s ALA 635 CO 0.00 -0.64 -0.24 -1.13 0.00 0.00 0.00 175.76 173.75 2dgx n SER 636 N 2.09 1.67 -0.65 0.00 3.41 -1.26 -5.12 113.62 113.76 2dgx n SER 636 Ca 0.05 0.16 0.05 0.00 -0.26 0.00 0.00 58.87 58.88 2dgx n SER 636 Cb 0.41 -0.52 -0.01 0.00 -0.26 0.00 0.00 64.21 63.83 2dgx n SER 636 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dgx n GLY 637 N 1.95 -1.77 3.77 5.00 0.00 -1.26 -4.87 105.19 108.00 2dgx n GLY 637 Ca -0.38 -1.26 -0.31 0.00 0.00 0.00 0.00 46.02 44.06 2dgx n GLY 637 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dgx s PRO 638 N -0.82 2.36 0.21 1.61 0.04 -1.26 -5.08 135.00 132.07 2dgx s PRO 638 Ca 0.00 1.22 -0.00 0.00 0.04 0.00 0.00 61.00 62.25 2dgx s PRO 638 Cb 0.00 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.59 2dgx s PRO 638 CO 0.00 -1.57 0.14 -1.54 0.04 0.00 0.00 177.00 174.07 2dgx s SER 639 N -3.22 0.29 -0.15 6.66 1.04 -1.26 -5.10 113.70 111.96 2dgx s SER 639 Ca 0.62 -1.41 -0.12 0.00 0.48 0.00 0.00 55.95 55.53 2dgx s SER 639 Cb -0.18 0.38 -0.04 0.00 0.10 0.00 0.00 66.02 66.28 2dgx s SER 639 CO 0.53 -0.84 -0.23 -1.20 0.98 0.00 0.00 173.24 172.48 2dgx n SER 640 N -0.35 1.73 0.00 7.02 7.64 -1.26 -5.34 113.62 123.07 2dgx n SER 640 Ca 0.02 0.49 0.00 0.00 1.01 0.00 0.00 58.87 60.39 2dgx n SER 640 Cb 0.66 -0.80 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 2dgx n SER 640 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64