#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 5.59 0.22 1.61 0.01 -1.26 -4.95 113.70 114.93 2dgx s SER 547 Ca 0.00 -0.35 -0.31 0.00 1.31 0.00 0.00 55.95 56.60 2dgx s SER 547 Cb 0.00 -2.55 -0.15 0.00 0.21 0.00 0.00 66.02 63.53 2dgx s SER 547 CO 0.00 -2.24 1.20 -1.54 0.41 0.00 0.00 173.24 171.07 2dgx n SER 548 N 11.83 1.76 0.00 2.44 3.41 -1.26 -4.74 113.62 127.06 2dgx n SER 548 Ca 0.24 1.15 0.00 0.00 -0.26 0.00 0.00 58.87 60.00 2dgx n SER 548 Cb 0.50 -1.30 0.00 0.00 -0.26 0.00 0.00 64.21 63.15 2dgx n SER 548 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dgx n GLY 549 N 1.86 2.26 3.51 5.00 0.00 -1.26 -5.09 105.19 111.46 2dgx n GLY 549 Ca 0.13 -1.22 -0.06 0.00 0.00 0.00 0.00 46.02 44.86 2dgx n GLY 549 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dgx s SER 550 N 0.00 -0.80 -0.03 1.61 1.04 -1.26 -4.87 113.70 109.38 2dgx s SER 550 Ca 0.00 1.33 0.02 0.00 0.48 0.00 0.00 55.95 57.77 2dgx s SER 550 Cb 0.00 1.50 0.01 0.00 0.10 0.00 0.00 66.02 67.64 2dgx s SER 550 CO 0.00 -0.22 -0.07 -0.55 0.98 0.00 0.00 173.24 173.38 2dgx s SER 551 N 2.08 1.02 -0.30 7.02 0.15 -1.26 -5.13 113.70 117.29 2dgx s SER 551 Ca -0.08 -0.15 -0.16 0.00 0.70 0.00 0.00 55.95 56.26 2dgx s SER 551 Cb -0.09 -0.37 0.18 0.00 -1.71 0.00 0.00 66.02 64.03 2dgx s SER 551 CO -0.17 0.01 1.10 -0.83 1.20 0.00 0.00 173.24 174.55 2dgx s GLY 552 N 0.50 0.13 -0.01 9.45 0.00 -1.26 -4.93 107.32 111.20 2dgx s GLY 552 Ca -0.07 3.36 -0.00 0.00 0.00 0.00 0.00 44.72 48.01 2dgx s GLY 552 CO 0.00 2.99 0.02 -1.31 0.00 0.00 0.00 173.10 174.80 2dgx s ASN 553 N 1.77 -0.00 0.00 1.64 -0.87 -1.26 -4.92 114.94 111.30 2dgx s ASN 553 Ca -0.05 0.03 0.00 0.00 -1.57 0.00 0.00 52.86 51.27 2dgx s ASN 553 Cb -0.03 0.01 0.00 0.00 -0.02 0.00 0.00 41.25 41.20 2dgx s ASN 553 CO -0.15 -0.02 0.00 0.61 -2.57 0.00 0.00 177.10 174.97 2dgx n GLY 554 N 3.26 -0.02 3.39 0.66 0.00 -1.26 -5.03 105.19 106.18 2dgx n GLY 554 Ca -0.15 0.03 -0.45 0.00 0.00 0.00 0.00 46.02 45.46 2dgx n GLY 554 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dgx s ALA 555 N 0.00 3.53 -0.47 4.61 0.00 -1.18 -4.87 121.76 123.38 2dgx s ALA 555 Ca 0.00 -2.58 -0.22 0.00 0.00 0.00 0.00 51.96 49.16 2dgx s ALA 555 Cb 0.00 -3.68 0.03 0.00 0.00 0.00 0.00 23.12 19.47 2dgx s ALA 555 CO 0.00 -2.52 0.76 -0.51 0.00 0.00 0.00 175.76 173.49 2dgx s ASP 556 N 3.33 6.36 -0.44 0.00 1.11 -1.26 -0.46 116.67 125.31 2dgx s ASP 556 Ca 0.19 -0.28 -0.18 0.00 0.18 0.00 0.00 52.55 52.45 2dgx s ASP 556 Cb -0.16 -2.37 0.03 0.00 1.07 0.00 0.00 42.92 41.49 2dgx s ASP 556 CO -0.01 -0.93 0.49 -0.69 1.18 0.00 0.00 175.17 175.21 2dgx s VAL 557 N 3.21 5.03 -0.21 -1.27 1.01 0.11 -2.35 120.40 125.94 2dgx s VAL 557 Ca 0.27 -0.38 -0.29 0.00 0.00 0.00 0.00 61.98 61.58 2dgx s VAL 557 Cb -0.13 -4.11 -0.00 0.00 0.00 0.00 0.00 36.38 32.13 2dgx s VAL 557 CO 0.20 -0.52 1.20 -1.10 0.00 0.00 0.00 175.10 174.88 2dgx s GLN 558 N 2.26 4.19 -0.08 2.72 -0.21 0.27 -0.18 119.66 128.63 2dgx s GLN 558 Ca 0.13 1.50 0.01 0.00 0.02 0.00 0.00 55.36 57.03 2dgx s GLN 558 Cb -0.18 -3.75 -0.03 0.00 1.00 0.00 0.00 33.01 30.06 2dgx s GLN 558 CO 0.13 -0.75 -0.10 0.08 -2.12 0.00 0.00 175.29 172.54 2dgx s VAL 559 N 3.54 3.42 0.19 1.09 1.01 0.89 -0.76 120.40 129.77 2dgx s VAL 559 Ca 0.52 -0.57 -0.01 0.00 0.00 0.00 0.00 61.98 61.92 2dgx s VAL 559 Cb -0.19 -2.40 -0.04 0.00 0.00 0.00 0.00 36.38 33.75 2dgx s VAL 559 CO 0.13 0.58 0.10 -0.44 0.00 0.00 0.00 175.10 175.47 2dgx s SER 560 N -0.51 0.40 -1.03 3.32 0.01 -0.58 -1.65 113.70 113.65 2dgx s SER 560 Ca 0.07 -1.32 -0.06 0.00 1.31 0.00 0.00 55.95 55.95 2dgx s SER 560 Cb -0.12 0.31 0.01 0.00 0.21 0.00 0.00 66.02 66.43 2dgx s SER 560 CO 0.02 -0.78 0.75 -3.20 0.41 0.00 0.00 173.24 170.44 2dgx n ASN 561 N -0.24 -5.12 -4.69 2.44 5.15 -1.26 -0.32 115.26 111.22 2dgx n ASN 561 Ca -0.01 -0.34 -0.41 0.00 -0.60 0.00 0.00 54.58 53.22 2dgx n ASN 561 Cb 0.65 -3.79 -0.04 0.00 -0.53 0.00 0.00 39.78 36.07 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 -3.17 4.96 -0.48 -1.44 1.01 -1.17 -3.77 121.20 117.14 2dgx s ILE 562 Ca 0.37 1.52 -0.27 0.00 0.00 0.00 0.00 60.65 62.27 2dgx s ILE 562 Cb -0.16 -4.08 -0.08 0.00 0.01 0.00 0.00 42.46 38.15 2dgx s ILE 562 CO 0.46 0.13 2.40 -0.67 0.00 0.00 0.00 174.94 177.26 2dgx n ASP 563 N 4.62 2.32 -0.34 3.58 2.03 -1.26 -4.56 116.55 122.93 2dgx n ASP 563 Ca 0.02 -0.34 -0.02 0.00 0.52 0.00 0.00 54.79 54.97 2dgx n ASP 563 Cb 0.50 -1.53 0.14 0.00 -0.72 0.00 0.00 41.12 39.51 2dgx n ASP 563 CO 0.00 0.00 0.00 0.10 -1.92 0.00 0.00 177.20 175.38 2dgx h TYR 564 N 18.33 1.19 -0.84 -0.67 -0.00 -1.90 -2.97 116.97 130.11 2dgx h TYR 564 Ca -0.25 0.02 0.12 0.00 -0.00 0.00 0.00 58.73 58.62 2dgx h TYR 564 Cb 1.27 -0.40 -0.13 0.00 -0.00 0.00 0.00 36.73 37.47 2dgx h TYR 564 CO 0.97 0.76 -0.36 0.54 -0.00 0.00 0.00 178.16 180.06 2dgx n ARG 565 N -4.39 -0.23 -1.66 0.10 1.74 -1.26 -4.42 116.66 106.55 2dgx n ARG 565 Ca 0.11 1.30 -0.38 0.00 -0.77 0.00 0.00 57.85 58.11 2dgx n ARG 565 Cb 0.02 -1.92 0.06 0.00 -1.02 0.00 0.00 32.46 29.60 2dgx n ARG 565 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2dgx n LEU 566 N -5.21 4.60 -4.74 0.55 4.77 -1.13 -4.92 117.00 110.92 2dgx n LEU 566 Ca 0.07 0.83 -0.41 0.00 -0.03 0.00 0.00 56.01 56.47 2dgx n LEU 566 Cb 0.32 -1.46 -0.03 0.00 -2.33 0.00 0.00 43.42 39.92 2dgx n LEU 566 CO -0.12 -1.48 0.99 -0.44 -1.33 0.00 0.00 177.39 175.01 2dgx s SER 567 N -1.26 6.88 0.24 -1.43 0.01 -1.26 -4.81 113.70 112.06 2dgx s SER 567 Ca 0.78 2.44 -0.10 0.00 1.31 0.00 0.00 55.95 60.38 2dgx s SER 567 Cb -0.41 -2.62 0.35 0.00 0.21 0.00 0.00 66.02 63.56 2dgx s SER 567 CO 0.45 -0.53 1.40 0.54 0.41 0.00 0.00 173.24 175.52 2dgx n ARG 568 N 2.39 -0.13 -0.05 12.44 1.74 -1.26 0.71 116.66 132.50 2dgx n ARG 568 Ca 0.05 1.40 -0.08 0.00 -0.77 0.00 0.00 57.85 58.45 2dgx n ARG 568 Cb 0.43 -2.09 -0.02 0.00 -1.02 0.00 0.00 32.46 29.76 2dgx n ARG 568 CO 0.00 0.00 0.00 1.57 -1.52 0.00 0.00 177.63 177.68 2dgx h LYS 569 N 0.00 0.14 0.00 5.56 2.10 -1.99 0.14 116.57 122.52 2dgx h LYS 569 Ca 0.39 -0.01 -0.00 0.00 -2.00 0.00 0.00 60.65 59.03 2dgx h LYS 569 Cb 0.62 -0.03 -0.00 0.00 -0.90 0.00 0.00 32.23 31.91 2dgx h LYS 569 CO -0.92 0.09 -0.02 1.49 -2.00 0.00 0.00 179.45 178.10 2dgx h GLU 570 N 0.15 0.00 0.00 0.07 4.81 -0.07 -1.51 114.58 118.02 2dgx h GLU 570 Ca 0.10 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 2dgx h GLU 570 Cb 0.09 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.47 2dgx h GLU 570 CO -0.13 0.02 -0.09 -0.07 -0.73 0.00 0.00 179.01 178.02 2dgx h LEU 571 N 0.00 0.00 -0.86 1.64 3.38 0.80 -3.11 115.31 117.16 2dgx h LEU 571 Ca -0.00 0.00 0.21 0.00 0.09 0.00 0.00 57.88 58.18 2dgx h LEU 571 Cb 0.16 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.78 2dgx h LEU 571 CO 0.00 0.23 0.31 0.06 0.09 0.00 0.00 178.44 179.13 2dgx h GLN 572 N -0.38 0.32 -0.58 1.13 3.07 -0.80 0.19 115.11 118.06 2dgx h GLN 572 Ca 0.00 -0.02 -0.01 0.00 0.09 0.00 0.00 58.65 58.71 2dgx h GLN 572 Cb 0.09 -0.07 -0.03 0.00 0.08 0.00 0.00 27.48 27.55 2dgx h GLN 572 CO 0.00 0.21 0.33 -0.56 0.09 0.00 0.00 178.83 178.90 2dgx h GLN 573 N 0.33 0.80 0.60 0.06 3.07 -1.46 -2.20 115.11 116.31 2dgx h GLN 573 Ca 0.52 -0.08 -0.03 0.00 0.09 0.00 0.00 58.65 59.15 2dgx h GLN 573 Cb 0.99 -0.16 0.01 0.00 0.08 0.00 0.00 27.48 28.39 2dgx h GLN 573 CO -0.55 0.59 -0.29 -0.07 0.09 0.00 0.00 178.83 178.60 2dgx h LEU 574 N 0.78 -0.68 -0.79 0.06 3.38 -0.65 -2.57 115.31 114.84 2dgx h LEU 574 Ca 0.21 -0.03 0.18 0.00 0.09 0.00 0.00 57.88 58.33 2dgx h LEU 574 Cb 0.02 0.18 -0.14 0.00 0.09 0.00 0.00 40.66 40.80 2dgx h LEU 574 CO -0.04 -0.36 -0.01 -0.07 0.09 0.00 0.00 178.44 178.05 2dgx h LEU 575 N -1.01 -0.40 -0.99 1.67 3.38 -0.94 0.41 115.31 117.44 2dgx h LEU 575 Ca -0.08 0.21 0.05 0.00 0.09 0.00 0.00 57.88 58.15 2dgx h LEU 575 Cb 0.67 0.37 -0.06 0.00 0.09 0.00 0.00 40.66 41.73 2dgx h LEU 575 CO 0.14 -0.20 0.64 -0.61 0.09 0.00 0.00 178.44 178.50 2dgx h GLN 576 N 0.09 1.17 -0.70 1.13 4.15 -1.34 -1.38 115.11 118.22 2dgx h GLN 576 Ca 0.43 -0.07 -0.02 0.00 0.77 0.00 0.00 58.65 59.76 2dgx h GLN 576 Cb 0.76 -0.26 -0.03 0.00 0.21 0.00 0.00 27.48 28.16 2dgx h GLN 576 CO -0.71 0.77 0.36 0.93 -1.93 0.00 0.00 178.83 178.26 2dgx h GLU 577 N 1.20 0.98 0.05 1.69 5.08 0.20 0.77 114.58 124.57 2dgx h GLU 577 Ca 0.42 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.65 2dgx h GLU 577 Cb 0.10 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.16 2dgx h GLU 577 CO -0.15 0.75 -0.03 0.00 -1.00 0.00 0.00 179.01 178.58 2dgx h ALA 578 N 1.18 -0.07 0.00 3.43 0.00 -0.55 -2.83 119.26 120.42 2dgx h ALA 578 Ca 0.24 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 2dgx h ALA 578 Cb 0.07 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2dgx h ALA 578 CO -0.04 -0.43 -0.19 0.74 0.00 0.00 0.00 179.25 179.33 2dgx h PHE 579 N -0.29 0.00 0.00 0.00 0.04 -1.16 -2.02 116.94 113.51 2dgx h PHE 579 Ca -0.01 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.72 2dgx h PHE 579 Cb 0.26 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.40 2dgx h PHE 579 CO -0.00 0.19 -0.21 0.00 -0.60 0.00 0.00 178.31 177.69 2dgx h ALA 580 N 1.81 1.64 0.00 2.45 0.00 -0.61 -1.41 119.26 123.14 2dgx h ALA 580 Ca -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2dgx h ALA 580 Cb 0.34 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2dgx h ALA 580 CO 0.02 0.26 0.00 0.00 0.00 0.00 0.00 179.25 179.54 2dgx h ARG 581 N 0.00 0.00 0.00 0.00 3.08 -1.16 -3.26 114.38 113.05 2dgx h ARG 581 Ca -0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 2dgx h ARG 581 Cb 0.38 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 2dgx h ARG 581 CO 0.03 0.00 -1.19 0.72 -1.07 0.00 0.00 179.97 178.46 2dgx n HIS 582 N -2.60 0.10 0.00 3.04 8.25 -0.60 -5.10 115.22 118.30 2dgx n HIS 582 Ca 0.00 0.04 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 2dgx n HIS 582 Cb 0.18 -0.61 0.00 0.00 1.12 0.00 0.00 29.99 30.69 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 1.44 4.74 2.97 -1.41 0.00 -0.79 -5.01 105.19 107.13 2dgx n GLY 583 Ca -0.20 -0.65 -0.30 0.00 0.00 0.00 0.00 46.02 44.87 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 3.76 1.89 -0.10 1.61 2.47 -1.26 -4.51 119.74 123.59 2dgx s LYS 584 Ca 0.00 -0.86 -0.29 0.00 -1.56 0.00 0.00 55.97 53.26 2dgx s LYS 584 Cb 0.00 -2.43 -0.04 0.00 -1.46 0.00 0.00 37.83 33.90 2dgx s LYS 584 CO 0.00 -0.47 1.57 0.08 0.16 0.00 0.00 175.35 176.69 2dgx s VAL 585 N 1.41 3.74 -0.12 4.02 1.01 -1.26 -1.29 120.40 127.91 2dgx s VAL 585 Ca -0.02 0.88 -0.25 0.00 0.00 0.00 0.00 61.98 62.58 2dgx s VAL 585 Cb -0.17 -3.60 -0.22 0.00 0.00 0.00 0.00 36.38 32.39 2dgx s VAL 585 CO -0.08 -0.12 0.77 0.50 0.00 0.00 0.00 175.10 176.18 2dgx h LYS 586 N 9.50 -0.01 -2.95 2.72 1.63 0.81 -3.45 116.57 124.82 2dgx h LYS 586 Ca -0.36 0.00 0.05 0.00 -0.85 0.00 0.00 60.65 59.50 2dgx h LYS 586 Cb 1.16 0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 32.72 2dgx h LYS 586 CO 0.97 0.79 0.24 0.45 -3.45 0.00 0.00 179.45 178.45 2dgx s SER 587 N -6.04 -0.34 -0.10 4.20 0.15 -0.22 -4.98 113.70 106.37 2dgx s SER 587 Ca -0.16 -0.43 -0.03 0.00 0.70 0.00 0.00 55.95 56.02 2dgx s SER 587 Cb -0.02 0.68 0.04 0.00 -1.71 0.00 0.00 66.02 65.01 2dgx s SER 587 CO 0.61 -1.22 0.07 -0.69 1.20 0.00 0.00 173.24 173.22 2dgx s VAL 588 N -3.83 -0.07 0.04 4.45 1.01 -1.26 0.46 120.40 121.20 2dgx s VAL 588 Ca 0.08 0.13 0.02 0.00 0.00 0.00 0.00 61.98 62.22 2dgx s VAL 588 Cb -0.04 -0.37 -0.04 0.00 0.00 0.00 0.00 36.38 35.93 2dgx s VAL 588 CO 0.01 -0.03 0.04 -1.61 0.00 0.00 0.00 175.10 173.51 2dgx s GLU 589 N 2.14 2.81 0.07 2.72 2.02 -0.80 -4.99 118.70 122.68 2dgx s GLU 589 Ca 0.04 -0.65 0.08 0.00 0.02 0.00 0.00 54.97 54.45 2dgx s GLU 589 Cb -0.14 -2.69 -0.03 0.00 0.10 0.00 0.00 34.13 31.36 2dgx s GLU 589 CO -0.06 0.60 -0.20 -0.51 0.02 0.00 0.00 175.26 175.11 2dgx s LEU 590 N -1.95 2.53 0.45 1.80 1.43 -1.26 -1.62 118.68 120.06 2dgx s LEU 590 Ca 0.24 -0.52 -0.17 0.00 -1.03 0.00 0.00 54.13 52.64 2dgx s LEU 590 Cb -0.12 -1.46 -0.09 0.00 0.03 0.00 0.00 46.19 44.55 2dgx s LEU 590 CO 0.16 0.23 0.92 -0.44 0.23 0.00 0.00 176.35 177.45 2dgx s SER 591 N -1.66 6.75 0.05 2.29 0.01 -0.58 -4.95 113.70 115.60 2dgx s SER 591 Ca 0.15 1.54 0.16 0.00 1.31 0.00 0.00 55.95 59.11 2dgx s SER 591 Cb -0.10 -2.49 0.68 0.00 0.21 0.00 0.00 66.02 64.31 2dgx s SER 591 CO 0.06 -0.44 1.50 -0.81 0.41 0.00 0.00 173.24 173.96 2dgx n PRO 592 N -1.06 0.04 -2.00 12.44 -0.04 -1.26 -4.75 135.00 138.36 2dgx n PRO 592 Ca 0.06 0.29 -0.42 0.00 -0.04 0.00 0.00 63.50 63.38 2dgx n PRO 592 Cb 0.54 -1.57 -0.03 0.00 -0.04 0.00 0.00 33.50 32.40 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 -3.06 2.21 -0.35 0.54 3.76 -1.26 -4.89 115.29 112.25 2dgx s HIS 593 Ca 0.06 0.30 0.08 0.00 -0.15 0.00 0.00 55.06 55.35 2dgx s HIS 593 Cb 0.09 -3.90 0.63 0.00 1.11 0.00 0.00 32.58 30.51 2dgx s HIS 593 CO 0.28 -3.71 1.71 -2.37 -0.85 0.00 0.00 174.74 169.81 2dgx n THR 594 N 5.15 2.86 -4.41 1.30 5.66 -1.26 -4.48 114.28 119.10 2dgx n THR 594 Ca 0.16 -2.08 -0.23 0.00 -3.05 0.00 0.00 64.05 58.85 2dgx n THR 594 Cb 0.42 -0.38 -0.08 0.00 -1.55 0.00 0.00 70.33 68.74 2dgx n THR 594 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 2dgx s ASP 595 N -1.65 2.23 0.59 1.09 1.01 -1.26 -4.99 116.67 113.69 2dgx s ASP 595 Ca 0.52 -1.69 0.30 0.00 0.71 0.00 0.00 52.55 52.38 2dgx s ASP 595 Cb 0.44 0.52 1.03 0.00 1.01 0.00 0.00 42.92 45.92 2dgx s ASP 595 CO 0.08 -0.98 1.31 0.00 0.21 0.00 0.00 175.17 175.80 2dgx n TYR 596 N -0.77 0.00 -0.31 4.23 4.11 -1.26 0.45 117.16 123.61 2dgx n TYR 596 Ca -0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.90 57.84 2dgx n TYR 596 Cb 0.64 -0.29 0.02 0.00 -0.00 0.00 0.00 39.34 39.70 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 -3.32 1.26 -2.97 -3.48 6.02 -1.26 -4.70 117.38 108.93 2dgx n GLN 597 Ca 0.27 -0.54 -0.41 0.00 -0.01 0.00 0.00 57.00 56.30 2dgx n GLN 597 Cb 1.59 -1.21 -0.05 0.00 1.02 0.00 0.00 30.24 31.59 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 -0.62 4.07 0.00 1.08 2.96 0.17 -4.70 118.68 121.65 2dgx s LEU 598 Ca 0.11 0.91 0.00 0.00 -0.22 0.00 0.00 54.13 54.92 2dgx s LEU 598 Cb 0.08 -3.06 -0.00 0.00 0.50 0.00 0.00 46.19 43.71 2dgx s LEU 598 CO 0.00 -0.46 0.00 0.29 -1.32 0.00 0.00 176.35 174.86 2dgx n LYS 599 N 5.90 0.87 -3.74 1.98 5.02 -1.26 -3.05 118.16 123.89 2dgx n LYS 599 Ca 0.03 -3.39 -0.03 0.00 -2.02 0.00 0.00 58.31 52.90 2dgx n LYS 599 Cb 0.48 0.91 -0.01 0.00 -0.02 0.00 0.00 35.03 36.39 2dgx n LYS 599 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2dgx s ALA 600 N -2.80 -1.69 -0.22 7.82 0.00 -0.66 -1.53 121.76 122.68 2dgx s ALA 600 Ca 0.00 0.19 -0.03 0.00 0.00 0.00 0.00 51.96 52.12 2dgx s ALA 600 Cb 0.00 0.62 0.07 0.00 0.00 0.00 0.00 23.12 23.81 2dgx s ALA 600 CO 0.00 -1.03 0.07 0.08 0.00 0.00 0.00 175.76 174.89 2dgx s VAL 601 N -3.23 0.28 -0.39 0.00 1.01 -0.64 -0.08 120.40 117.35 2dgx s VAL 601 Ca 0.12 -0.56 -0.23 0.00 0.00 0.00 0.00 61.98 61.31 2dgx s VAL 601 Cb -0.01 -0.95 0.01 0.00 0.00 0.00 0.00 36.38 35.43 2dgx s VAL 601 CO 0.01 -0.37 0.78 -0.69 0.00 0.00 0.00 175.10 174.84 2dgx s VAL 602 N 1.96 4.71 -0.14 2.92 1.01 0.75 -1.90 120.40 129.71 2dgx s VAL 602 Ca 0.03 0.72 -0.24 0.00 0.00 0.00 0.00 61.98 62.49 2dgx s VAL 602 Cb -0.17 -4.24 -0.02 0.00 0.00 0.00 0.00 36.38 31.95 2dgx s VAL 602 CO -0.15 -0.52 0.74 -1.58 0.00 0.00 0.00 175.10 173.59 2dgx s GLN 603 N 3.15 4.33 -0.09 2.72 0.74 0.17 -0.71 119.66 129.96 2dgx s GLN 603 Ca 0.31 0.88 -0.02 0.00 0.05 0.00 0.00 55.36 56.57 2dgx s GLN 603 Cb -0.13 -3.53 -0.03 0.00 1.10 0.00 0.00 33.01 30.42 2dgx s GLN 603 CO 0.19 -0.17 -0.01 -1.64 -0.55 0.00 0.00 175.29 173.10 2dgx s MET 604 N 1.63 3.02 0.10 1.67 -1.94 0.39 0.13 119.30 124.30 2dgx s MET 604 Ca 0.36 -0.44 -0.28 0.00 -1.71 0.00 0.00 55.69 53.62 2dgx s MET 604 Cb -0.17 -2.77 -0.11 0.00 2.01 0.00 0.00 34.83 33.79 2dgx s MET 604 CO 0.14 0.64 1.64 0.93 -0.01 0.00 0.00 175.02 178.37 2dgx h GLU 605 N 5.35 -0.50 -6.13 2.03 5.08 -1.49 -3.11 114.58 115.80 2dgx h GLU 605 Ca -0.48 0.03 -0.59 0.00 -1.00 0.00 0.00 59.36 57.32 2dgx h GLU 605 Cb 1.19 0.11 -0.05 0.00 0.50 0.00 0.00 28.75 30.51 2dgx h GLU 605 CO 0.55 -0.33 -0.20 1.21 -1.00 0.00 0.00 179.01 179.24 2dgx s ASN 606 N -4.77 6.73 0.01 1.42 2.47 -1.26 -4.53 114.94 115.01 2dgx s ASN 606 Ca -0.16 0.90 -0.26 0.00 0.42 0.00 0.00 52.86 53.76 2dgx s ASN 606 Cb 0.07 -2.22 -0.15 0.00 -1.45 0.00 0.00 41.25 37.50 2dgx s ASN 606 CO 0.65 0.20 1.13 0.25 -3.72 0.00 0.00 177.10 175.61 2dgx h LEU 607 N 3.94 -0.74 -0.32 3.21 7.12 -1.91 -3.22 115.31 123.39 2dgx h LEU 607 Ca -0.50 -0.00 0.07 0.00 0.13 0.00 0.00 57.88 57.58 2dgx h LEU 607 Cb 1.20 0.19 -0.08 0.00 -0.53 0.00 0.00 40.66 41.44 2dgx h LEU 607 CO 0.65 -0.36 -0.21 -0.61 -0.13 0.00 0.00 178.44 177.78 2dgx h GLN 608 N -1.17 -0.16 -1.52 1.25 4.15 -1.98 0.13 115.11 115.81 2dgx h GLN 608 Ca -0.09 0.01 0.50 0.00 0.77 0.00 0.00 58.65 59.84 2dgx h GLN 608 Cb 0.70 0.04 -0.12 0.00 0.21 0.00 0.00 27.48 28.30 2dgx h GLN 608 CO 0.15 -0.11 1.01 -0.44 -1.93 0.00 0.00 178.83 177.51 2dgx h ASP 609 N -0.17 0.15 0.06 -0.69 3.32 -1.95 0.40 116.42 117.53 2dgx h ASP 609 Ca 0.16 0.12 -0.00 0.00 0.02 0.00 0.00 57.03 57.33 2dgx h ASP 609 Cb 0.42 0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.09 2dgx h ASP 609 CO -0.42 -0.19 -0.03 0.00 -1.72 0.00 0.00 179.24 176.88 2dgx h ALA 610 N 1.47 -0.07 -0.58 3.45 0.00 -0.98 -2.64 119.26 119.91 2dgx h ALA 610 Ca 0.89 -0.31 0.05 0.00 0.00 0.00 0.00 54.91 55.54 2dgx h ALA 610 Cb 3.04 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 20.79 2dgx h ALA 610 CO -0.36 -0.16 -0.34 -0.89 0.00 0.00 0.00 179.25 177.50 2dgx n ILE 611 N -4.79 -0.39 -0.12 0.00 5.41 0.14 -0.15 119.36 119.45 2dgx n ILE 611 Ca -0.08 1.74 -0.10 0.00 1.00 0.00 0.00 62.75 65.31 2dgx n ILE 611 Cb 0.32 -2.19 -0.02 0.00 -0.71 0.00 0.00 39.64 37.04 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 0.66 0.58 7.39 0.00 -1.66 -2.63 103.07 107.40 2dgx h GLY 612 Ca 0.09 -0.44 0.18 0.00 0.00 0.00 0.00 47.33 47.16 2dgx h GLY 612 CO -0.55 0.41 0.54 0.00 0.00 0.00 0.00 176.54 176.94 2dgx h ALA 613 N 0.90 2.45 0.10 3.60 0.00 -0.41 0.40 119.26 126.30 2dgx h ALA 613 Ca 0.11 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2dgx h ALA 613 Cb 0.38 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2dgx h ALA 613 CO 0.01 -0.86 -0.05 0.28 0.00 0.00 0.00 179.25 178.64 2dgx h VAL 614 N 0.00 0.00 0.00 0.00 2.07 -0.19 -0.65 116.25 117.48 2dgx h VAL 614 Ca 0.29 -0.87 0.00 0.00 0.82 0.00 0.00 66.70 66.94 2dgx h VAL 614 Cb 1.37 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 2dgx h VAL 614 CO -0.00 0.00 0.00 0.78 0.02 0.00 0.00 177.57 178.37 2dgx h ASN 615 N -1.00 0.00 0.00 0.57 2.35 -1.22 0.16 115.58 116.44 2dgx h ASN 615 Ca -0.01 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.71 2dgx h ASN 615 Cb 0.10 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.47 2dgx h ASN 615 CO 0.02 0.00 -0.62 -1.20 -1.65 0.00 0.00 177.43 173.98 2dgx n SER 616 N -2.43 1.82 0.00 5.81 7.64 0.14 -4.20 113.62 122.39 2dgx n SER 616 Ca -0.01 0.60 0.07 0.00 1.01 0.00 0.00 58.87 60.54 2dgx n SER 616 Cb 0.10 -0.88 0.31 0.00 -1.01 0.00 0.00 64.21 62.74 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 0.00 -4.66 -3.43 4.77 -0.25 -4.82 117.00 104.03 2dgx n LEU 617 Ca -0.10 0.43 -0.58 0.00 -0.03 0.00 0.00 56.01 55.73 2dgx n LEU 617 Cb 0.32 -0.43 -0.08 0.00 -2.33 0.00 0.00 43.42 40.90 2dgx n LEU 617 CO 0.12 -0.23 1.07 1.57 -1.33 0.00 0.00 177.39 178.59 2dgx n HIS 618 N -1.43 1.65 -2.94 -1.77 -0.00 0.57 0.58 115.22 111.87 2dgx n HIS 618 Ca 0.04 0.76 -0.21 0.00 0.46 0.00 0.00 57.72 58.77 2dgx n HIS 618 Cb 0.15 -2.33 0.03 0.00 -0.12 0.00 0.00 29.99 27.72 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 3.80 -4.48 -1.78 1.57 5.12 0.21 -4.89 116.66 116.20 2dgx n ARG 619 Ca 0.24 0.85 -0.43 0.00 -1.93 0.00 0.00 57.85 56.59 2dgx n ARG 619 Cb 0.10 -5.58 -0.03 0.00 -1.16 0.00 0.00 32.46 25.80 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 -3.13 1.47 -0.86 -1.55 5.04 0.20 -4.61 117.35 113.90 2dgx s TYR 620 Ca 0.27 0.42 -0.20 0.00 -2.44 0.00 0.00 57.07 55.12 2dgx s TYR 620 Cb -0.12 -4.03 -0.21 0.00 0.35 0.00 0.00 41.96 37.96 2dgx s TYR 620 CO 0.34 -3.86 2.32 1.17 -1.34 0.00 0.00 175.55 174.17 2dgx n LYS 621 N 8.35 0.36 -4.35 4.97 3.00 -1.26 -3.00 118.16 126.24 2dgx n LYS 621 Ca 0.25 -0.58 -0.25 0.00 -0.00 0.00 0.00 58.31 57.73 2dgx n LYS 621 Cb 0.45 -2.79 -0.09 0.00 0.00 0.00 0.00 35.03 32.59 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 9.90 2.98 0.00 3.15 1.01 -1.15 -5.02 121.20 132.07 2dgx s ILE 622 Ca 1.05 -1.94 0.00 0.00 0.00 0.00 0.00 60.65 59.76 2dgx s ILE 622 Cb -0.37 -2.52 0.00 0.00 0.01 0.00 0.00 42.46 39.58 2dgx s ILE 622 CO 0.24 -0.24 0.00 0.61 0.00 0.00 0.00 174.94 175.55 2dgx n GLY 623 N -0.31 1.42 0.00 6.18 0.00 -1.26 -1.22 105.19 110.00 2dgx n GLY 623 Ca -0.09 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.27 2dgx n GLY 623 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dgx n SER 624 N 2.20 1.80 -3.99 1.61 7.64 -1.26 -5.03 113.62 116.60 2dgx n SER 624 Ca 0.00 -1.86 -0.10 0.00 1.01 0.00 0.00 58.87 57.93 2dgx n SER 624 Cb 0.00 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.09 2dgx n SER 624 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2dgx s LYS 625 N -0.86 0.33 -0.51 1.43 1.02 -0.36 -5.03 119.74 115.77 2dgx s LYS 625 Ca 0.00 -0.59 -0.25 0.00 0.02 0.00 0.00 55.97 55.15 2dgx s LYS 625 Cb 0.00 0.04 0.03 0.00 -0.52 0.00 0.00 37.83 37.38 2dgx s LYS 625 CO 0.00 -0.03 0.95 0.15 -0.92 0.00 0.00 175.35 175.50 2dgx s LYS 626 N -1.39 3.44 0.25 1.68 3.01 -1.26 -2.95 119.74 122.52 2dgx s LYS 626 Ca -0.14 -0.02 -0.30 0.00 -1.01 0.00 0.00 55.97 54.50 2dgx s LYS 626 Cb -0.09 -3.99 -0.10 0.00 -1.01 0.00 0.00 37.83 32.64 2dgx s LYS 626 CO -0.01 -1.36 1.35 0.96 0.51 0.00 0.00 175.35 176.79 2dgx s ILE 627 N 3.91 2.92 -0.31 2.17 -4.36 -1.16 -4.74 121.20 119.63 2dgx s ILE 627 Ca 0.34 0.80 -0.07 0.00 -0.26 0.00 0.00 60.65 61.46 2dgx s ILE 627 Cb -0.11 -3.51 0.02 0.00 1.25 0.00 0.00 42.46 40.11 2dgx s ILE 627 CO 0.23 0.14 0.10 -0.76 0.24 0.00 0.00 174.94 174.90 2dgx s LEU 628 N -0.63 4.05 0.18 0.37 1.43 0.57 0.63 118.68 125.27 2dgx s LEU 628 Ca 0.55 -0.81 -0.13 0.00 -1.03 0.00 0.00 54.13 52.71 2dgx s LEU 628 Cb -0.39 -1.90 -0.07 0.00 0.03 0.00 0.00 46.19 43.86 2dgx s LEU 628 CO 0.43 -0.24 0.56 -0.69 0.23 0.00 0.00 176.35 176.65 2dgx s VAL 629 N 1.49 4.86 -0.27 -1.59 1.01 -1.26 -1.53 120.40 123.11 2dgx s VAL 629 Ca 0.02 0.75 -0.24 0.00 0.00 0.00 0.00 61.98 62.50 2dgx s VAL 629 Cb -0.18 -3.70 0.07 0.00 0.00 0.00 0.00 36.38 32.57 2dgx s VAL 629 CO 0.03 0.14 0.74 -0.44 0.00 0.00 0.00 175.10 175.57 2dgx s SER 630 N -1.91 -0.75 0.91 3.32 0.01 0.06 -4.81 113.70 110.53 2dgx s SER 630 Ca 0.41 1.42 -0.12 0.00 1.31 0.00 0.00 55.95 58.97 2dgx s SER 630 Cb -0.14 1.43 0.13 0.00 0.21 0.00 0.00 66.02 67.65 2dgx s SER 630 CO 0.20 -0.24 1.10 -0.76 0.41 0.00 0.00 173.24 173.95 2dgx s LEU 631 N 0.47 2.08 0.08 2.44 1.43 -1.26 0.98 118.68 124.90 2dgx s LEU 631 Ca -0.01 1.23 0.02 0.00 -1.03 0.00 0.00 54.13 54.34 2dgx s LEU 631 Cb -0.05 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.53 2dgx s LEU 631 CO -0.01 -2.61 -0.06 0.00 0.23 0.00 0.00 176.35 173.90 2dgx s ALA 632 N -3.08 0.85 -0.05 4.21 0.00 -0.99 -4.61 121.76 118.08 2dgx s ALA 632 Ca 0.63 -1.22 -0.12 0.00 0.00 0.00 0.00 51.96 51.26 2dgx s ALA 632 Cb -0.16 0.15 -0.05 0.00 0.00 0.00 0.00 23.12 23.05 2dgx s ALA 632 CO 0.56 -0.20 0.30 -0.08 0.00 0.00 0.00 175.76 176.34 2dgx s THR 633 N -3.19 5.22 0.33 0.00 -1.32 -1.26 -4.75 115.64 110.68 2dgx s THR 633 Ca 0.07 0.59 0.00 0.00 -1.21 0.00 0.00 61.69 61.14 2dgx s THR 633 Cb 0.02 -3.59 0.00 0.00 -1.51 0.00 0.00 72.50 67.42 2dgx s THR 633 CO -0.04 0.58 0.00 0.61 -2.21 0.00 0.00 174.62 173.56 2dgx n GLY 634 N 1.96 -1.24 3.55 6.08 0.00 -1.26 -5.05 105.19 109.24 2dgx n GLY 634 Ca -0.16 0.23 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.86 2.67 -0.51 4.61 0.00 -1.26 -4.86 121.76 120.56 2dgx s ALA 635 Ca 0.00 -1.67 -0.02 0.00 0.00 0.00 0.00 51.96 50.28 2dgx s ALA 635 Cb 0.00 -4.37 0.29 0.00 0.00 0.00 0.00 23.12 19.04 2dgx s ALA 635 CO 0.00 -3.49 2.12 -1.13 0.00 0.00 0.00 175.76 173.26 2dgx n SER 636 N 9.50 7.02 -2.69 0.00 3.41 -1.26 -4.50 113.62 125.11 2dgx n SER 636 Ca 0.16 -3.41 -0.05 0.00 -0.26 0.00 0.00 58.87 55.31 2dgx n SER 636 Cb 0.50 -1.05 0.06 0.00 -0.26 0.00 0.00 64.21 63.46 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 -0.13 -1.31 0.19 5.00 0.00 -1.26 -5.01 105.19 102.66 2dgx n GLY 637 Ca 0.46 0.84 0.04 0.00 0.00 0.00 0.00 46.02 47.36 2dgx n GLY 637 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dgx h PRO 638 N 3.57 0.00 -4.53 1.61 0.13 -1.92 -3.42 132.00 127.45 2dgx h PRO 638 Ca -0.17 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.40 2dgx h PRO 638 Cb 1.16 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 31.93 2dgx h PRO 638 CO -0.06 0.39 -0.82 -1.54 -0.23 0.00 0.00 178.00 175.74 2dgx s SER 639 N -6.66 2.38 -0.03 1.44 1.04 -1.26 -4.47 113.70 106.14 2dgx s SER 639 Ca -0.01 -0.39 -0.24 0.00 0.48 0.00 0.00 55.95 55.78 2dgx s SER 639 Cb 0.13 -1.01 -0.22 0.00 0.10 0.00 0.00 66.02 65.02 2dgx s SER 639 CO 0.70 -0.05 1.10 0.77 0.98 0.00 0.00 173.24 176.74 2dgx h SER 640 N 7.85 0.25 -0.02 7.02 4.64 -1.89 -3.54 113.55 127.85 2dgx h SER 640 Ca -0.33 -0.71 0.00 0.00 -0.47 0.00 0.00 61.79 60.28 2dgx h SER 640 Cb 1.15 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 2dgx h SER 640 CO 0.47 0.92 0.00 0.61 -0.87 0.00 0.00 176.83 177.96