#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dgx n SER 547 N 0.00 -2.20 -4.85 1.61 3.41 -1.26 -4.92 113.62 105.42 2dgx n SER 547 Ca 0.00 -1.10 -0.37 0.00 -0.26 0.00 0.00 58.87 57.14 2dgx n SER 547 Cb 0.00 -2.37 -0.06 0.00 -0.26 0.00 0.00 64.21 61.51 2dgx n SER 547 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2dgx s SER 548 N -3.50 6.24 0.00 4.04 1.04 -1.26 -5.03 113.70 115.24 2dgx s SER 548 Ca 0.62 0.42 0.00 0.00 0.48 0.00 0.00 55.95 57.47 2dgx s SER 548 Cb -0.35 -2.00 0.00 0.00 0.10 0.00 0.00 66.02 63.78 2dgx s SER 548 CO 0.96 0.40 0.00 0.61 0.98 0.00 0.00 173.24 176.19 2dgx n GLY 549 N 2.04 -0.41 3.24 7.32 0.00 -1.26 -5.13 105.19 111.00 2dgx n GLY 549 Ca -0.20 -1.24 -0.30 0.00 0.00 0.00 0.00 46.02 44.28 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 -4.00 2.89 -0.10 1.61 1.04 -1.26 -5.07 113.70 108.80 2dgx s SER 550 Ca 0.00 -0.48 -0.00 0.00 0.48 0.00 0.00 55.95 55.95 2dgx s SER 550 Cb 0.00 -0.77 0.02 0.00 0.10 0.00 0.00 66.02 65.38 2dgx s SER 550 CO 0.00 0.23 -0.08 -0.44 0.98 0.00 0.00 173.24 173.93 2dgx s SER 551 N -0.15 2.08 -0.32 7.02 0.01 -1.26 -5.09 113.70 115.99 2dgx s SER 551 Ca -0.03 -0.29 0.02 0.00 1.31 0.00 0.00 55.95 56.96 2dgx s SER 551 Cb -0.13 -0.82 0.15 0.00 0.21 0.00 0.00 66.02 65.43 2dgx s SER 551 CO 0.03 -0.10 0.38 -0.83 0.41 0.00 0.00 173.24 173.13 2dgx s GLY 552 N 1.57 -0.33 -0.24 3.44 0.00 -1.26 -5.08 107.32 105.42 2dgx s GLY 552 Ca 0.02 -0.28 -0.07 0.00 0.00 0.00 0.00 44.72 44.39 2dgx s GLY 552 CO -0.06 2.88 0.05 -1.31 0.00 0.00 0.00 173.10 174.66 2dgx s ASN 553 N 2.14 5.08 0.00 1.64 -0.87 -1.26 -4.85 114.94 116.81 2dgx s ASN 553 Ca 0.12 -0.20 0.00 0.00 -1.57 0.00 0.00 52.86 51.21 2dgx s ASN 553 Cb -0.13 -1.90 0.00 0.00 -0.02 0.00 0.00 41.25 39.20 2dgx s ASN 553 CO -0.22 -0.00 0.00 0.61 -2.57 0.00 0.00 177.10 174.91 2dgx n GLY 554 N 4.71 -0.74 3.27 0.66 0.00 -1.26 -4.93 105.19 106.91 2dgx n GLY 554 Ca -0.16 0.69 -0.37 0.00 0.00 0.00 0.00 46.02 46.18 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 3.02 -0.43 4.61 0.00 -1.16 -3.67 121.76 124.14 2dgx s ALA 555 Ca 0.00 -1.70 -0.13 0.00 0.00 0.00 0.00 51.96 50.13 2dgx s ALA 555 Cb 0.00 -2.21 0.06 0.00 0.00 0.00 0.00 23.12 20.96 2dgx s ALA 555 CO 0.00 -1.26 0.30 -0.51 0.00 0.00 0.00 175.76 174.29 2dgx s ASP 556 N 1.40 5.92 -0.55 0.00 1.11 -1.26 -0.22 116.67 123.07 2dgx s ASP 556 Ca -0.01 -1.23 -0.21 0.00 0.18 0.00 0.00 52.55 51.28 2dgx s ASP 556 Cb -0.19 -2.09 0.06 0.00 1.07 0.00 0.00 42.92 41.77 2dgx s ASP 556 CO 0.02 -0.53 0.75 -0.69 1.18 0.00 0.00 175.17 175.90 2dgx s VAL 557 N 1.57 4.69 -0.38 -1.27 1.01 -0.40 -2.08 120.40 123.55 2dgx s VAL 557 Ca 0.03 -0.38 -0.29 0.00 0.00 0.00 0.00 61.98 61.34 2dgx s VAL 557 Cb -0.22 -4.43 -0.00 0.00 0.00 0.00 0.00 36.38 31.73 2dgx s VAL 557 CO 0.06 -1.00 1.60 -1.10 0.00 0.00 0.00 175.10 174.66 2dgx s GLN 558 N 3.10 3.45 -0.19 2.72 -0.21 0.45 -0.97 119.66 128.01 2dgx s GLN 558 Ca 0.19 1.16 -0.06 0.00 0.02 0.00 0.00 55.36 56.66 2dgx s GLN 558 Cb -0.18 -4.11 -0.03 0.00 1.00 0.00 0.00 33.01 29.68 2dgx s GLN 558 CO 0.12 -1.72 0.03 0.08 -2.12 0.00 0.00 175.29 171.69 2dgx s VAL 559 N 6.15 4.37 0.26 1.09 1.01 0.21 -0.56 120.40 132.93 2dgx s VAL 559 Ca 0.70 -0.17 0.03 0.00 0.00 0.00 0.00 61.98 62.53 2dgx s VAL 559 Cb -0.18 -2.98 -0.05 0.00 0.00 0.00 0.00 36.38 33.17 2dgx s VAL 559 CO 0.33 0.44 0.03 -0.44 0.00 0.00 0.00 175.10 175.46 2dgx s SER 560 N 0.72 1.79 -1.11 3.32 0.01 -0.34 -1.72 113.70 116.36 2dgx s SER 560 Ca 0.02 -1.29 -0.04 0.00 1.31 0.00 0.00 55.95 55.95 2dgx s SER 560 Cb -0.14 0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.12 2dgx s SER 560 CO 0.02 -0.59 0.46 -3.20 0.41 0.00 0.00 173.24 170.35 2dgx n ASN 561 N -0.48 -4.87 -4.64 2.44 5.15 -1.26 -0.19 115.26 111.40 2dgx n ASN 561 Ca -0.03 -0.22 -0.43 0.00 -0.60 0.00 0.00 54.58 53.30 2dgx n ASN 561 Cb 0.65 -3.72 -0.02 0.00 -0.53 0.00 0.00 39.78 36.16 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 -3.01 4.52 -0.37 -1.44 1.01 -1.24 -3.80 121.20 116.87 2dgx s ILE 562 Ca 0.23 1.78 -0.39 0.00 0.00 0.00 0.00 60.65 62.27 2dgx s ILE 562 Cb -0.10 -4.35 -0.15 0.00 0.01 0.00 0.00 42.46 37.87 2dgx s ILE 562 CO 0.28 -0.38 2.04 -0.67 0.00 0.00 0.00 174.94 176.22 2dgx n ASP 563 N 6.75 1.84 -0.07 3.58 2.03 -1.26 -4.73 116.55 124.69 2dgx n ASP 563 Ca 0.12 0.67 -0.14 0.00 0.52 0.00 0.00 54.79 55.96 2dgx n ASP 563 Cb 0.47 -1.13 -0.06 0.00 -0.72 0.00 0.00 41.12 39.68 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 9.99 0.81 -0.71 -0.67 -0.00 -1.92 -3.23 116.97 121.24 2dgx h TYR 564 Ca -0.28 -0.29 0.21 0.00 -0.00 0.00 0.00 58.73 58.36 2dgx h TYR 564 Cb 1.35 -0.15 -0.13 0.00 -0.00 0.00 0.00 36.73 37.79 2dgx h TYR 564 CO 0.91 1.05 0.05 0.54 -0.00 0.00 0.00 178.16 180.71 2dgx n ARG 565 N -4.23 -0.05 -2.08 0.10 1.74 -1.26 -4.31 116.66 106.56 2dgx n ARG 565 Ca -0.06 1.05 -0.37 0.00 -0.77 0.00 0.00 57.85 57.71 2dgx n ARG 565 Cb 0.53 -1.69 0.02 0.00 -1.02 0.00 0.00 32.46 30.30 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 -9.84 3.81 0.23 0.55 1.43 -1.22 -4.97 118.68 108.68 2dgx s LEU 566 Ca -0.09 2.40 -0.30 0.00 -1.03 0.00 0.00 54.13 55.11 2dgx s LEU 566 Cb 0.21 -4.43 -0.09 0.00 0.03 0.00 0.00 46.19 41.91 2dgx s LEU 566 CO 0.55 -1.33 1.25 -0.94 0.23 0.00 0.00 176.35 176.11 2dgx s SER 567 N -1.44 6.98 0.24 2.29 1.04 -1.26 -4.83 113.70 116.73 2dgx s SER 567 Ca 0.72 2.39 -0.11 0.00 0.48 0.00 0.00 55.95 59.42 2dgx s SER 567 Cb -0.31 -2.62 0.34 0.00 0.10 0.00 0.00 66.02 63.54 2dgx s SER 567 CO 0.35 -0.43 1.59 0.03 0.98 0.00 0.00 173.24 175.76 2dgx h ARG 568 N 4.76 -0.01 -0.79 4.02 3.08 -1.93 0.53 114.38 124.04 2dgx h ARG 568 Ca -0.46 0.00 0.13 0.00 0.07 0.00 0.00 59.98 59.72 2dgx h ARG 568 Cb 1.22 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 31.18 2dgx h ARG 568 CO 0.73 -0.01 0.39 -0.22 -1.07 0.00 0.00 179.97 179.79 2dgx h LYS 569 N -0.01 0.57 0.00 0.04 3.64 -1.99 0.30 116.57 119.12 2dgx h LYS 569 Ca 0.39 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 2dgx h LYS 569 Cb 0.61 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 2dgx h LYS 569 CO -0.86 0.38 0.00 1.49 -2.27 0.00 0.00 179.45 178.19 2dgx h GLU 570 N 0.59 0.00 0.02 1.90 4.57 -0.48 -2.73 114.58 118.45 2dgx h GLU 570 Ca 0.42 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.60 2dgx h GLU 570 Cb 0.56 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.15 2dgx h GLU 570 CO -0.34 0.00 -0.01 -0.07 -1.18 0.00 0.00 179.01 177.41 2dgx h LEU 571 N 0.00 -0.02 -2.22 1.64 3.38 0.26 -1.67 115.31 116.68 2dgx h LEU 571 Ca 0.00 -0.22 0.02 0.00 0.09 0.00 0.00 57.88 57.77 2dgx h LEU 571 Cb 0.76 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 2dgx h LEU 571 CO 0.00 0.58 0.05 0.06 0.09 0.00 0.00 178.44 179.22 2dgx h GLN 572 N -1.00 0.00 0.11 1.13 3.07 -0.83 -1.14 115.11 116.44 2dgx h GLN 572 Ca -0.00 0.00 -0.15 0.00 0.09 0.00 0.00 58.65 58.58 2dgx h GLN 572 Cb 0.24 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.82 2dgx h GLN 572 CO 0.00 0.00 -0.70 -0.56 0.09 0.00 0.00 178.83 177.67 2dgx h GLN 573 N 0.00 0.23 0.25 0.06 3.07 -1.59 -3.08 115.11 114.05 2dgx h GLN 573 Ca 0.03 -0.39 -0.01 0.00 0.09 0.00 0.00 58.65 58.37 2dgx h GLN 573 Cb 0.12 0.15 -0.00 0.00 0.08 0.00 0.00 27.48 27.82 2dgx h GLN 573 CO -0.00 1.19 -0.15 -0.07 0.09 0.00 0.00 178.83 179.88 2dgx h LEU 574 N -0.51 -0.38 -0.53 0.06 3.38 -0.78 -2.09 115.31 114.47 2dgx h LEU 574 Ca -0.13 0.02 0.08 0.00 0.09 0.00 0.00 57.88 57.95 2dgx h LEU 574 Cb 1.51 0.11 -0.07 0.00 0.09 0.00 0.00 40.66 42.31 2dgx h LEU 574 CO 0.11 -0.25 0.16 -0.07 0.09 0.00 0.00 178.44 178.48 2dgx h LEU 575 N -0.39 0.12 -1.32 1.67 3.38 -1.38 -0.55 115.31 116.83 2dgx h LEU 575 Ca -0.03 0.08 0.09 0.00 0.09 0.00 0.00 57.88 58.11 2dgx h LEU 575 Cb 0.32 0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.10 2dgx h LEU 575 CO 0.03 0.09 0.52 -0.61 0.09 0.00 0.00 178.44 178.56 2dgx h GLN 576 N 0.32 0.74 0.34 1.13 4.15 -1.41 -1.13 115.11 119.25 2dgx h GLN 576 Ca 0.27 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.62 2dgx h GLN 576 Cb 0.33 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 27.86 2dgx h GLN 576 CO -0.30 0.49 -0.16 0.93 -1.93 0.00 0.00 178.83 177.86 2dgx h GLU 577 N 0.76 -0.44 0.64 1.69 5.08 -0.41 0.04 114.58 121.94 2dgx h GLU 577 Ca 0.37 0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.73 2dgx h GLU 577 Cb 0.41 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 2dgx h GLU 577 CO -0.14 -0.18 -0.49 0.00 -1.00 0.00 0.00 179.01 177.21 2dgx h ALA 578 N -0.06 -1.17 -0.69 3.43 0.00 -0.98 -1.38 119.26 118.43 2dgx h ALA 578 Ca -0.05 -0.21 0.14 0.00 0.00 0.00 0.00 54.91 54.79 2dgx h ALA 578 Cb 0.46 0.65 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 2dgx h ALA 578 CO 0.08 -1.18 0.46 0.74 0.00 0.00 0.00 179.25 179.35 2dgx h PHE 579 N -1.08 0.38 -0.44 0.00 0.04 -1.29 0.16 116.94 114.71 2dgx h PHE 579 Ca -0.08 0.01 -0.08 0.00 2.80 0.00 0.00 57.97 60.62 2dgx h PHE 579 Cb 0.90 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.91 2dgx h PHE 579 CO -0.18 0.15 -0.06 0.00 -0.60 0.00 0.00 178.31 177.63 2dgx h ALA 580 N 1.67 1.07 -0.03 2.45 0.00 -0.36 -2.23 119.26 121.83 2dgx h ALA 580 Ca 0.33 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.96 2dgx h ALA 580 Cb 0.83 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 2dgx h ALA 580 CO -0.09 0.58 0.09 0.00 0.00 0.00 0.00 179.25 179.83 2dgx h ARG 581 N 0.70 0.00 0.00 0.00 3.08 0.13 -3.18 114.38 115.11 2dgx h ARG 581 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 2dgx h ARG 581 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.56 2dgx h ARG 581 CO 0.03 0.00 -0.14 0.72 -1.07 0.00 0.00 179.97 179.51 2dgx n HIS 582 N -3.29 0.22 0.00 3.04 8.25 -0.88 -5.08 115.22 117.48 2dgx n HIS 582 Ca -0.02 0.09 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 2dgx n HIS 582 Cb 0.16 -0.36 0.00 0.00 1.12 0.00 0.00 29.99 30.91 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 1.70 3.05 2.99 -1.41 0.00 -0.98 -5.05 105.19 105.49 2dgx n GLY 583 Ca -0.02 -0.25 -0.31 0.00 0.00 0.00 0.00 46.02 45.44 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 3.84 1.92 0.16 1.61 2.47 -1.26 -4.59 119.74 123.88 2dgx s LYS 584 Ca 0.00 -1.01 -0.31 0.00 -1.56 0.00 0.00 55.97 53.09 2dgx s LYS 584 Cb 0.00 -2.59 -0.09 0.00 -1.46 0.00 0.00 37.83 33.69 2dgx s LYS 584 CO 0.00 -0.53 1.39 0.08 0.16 0.00 0.00 175.35 176.45 2dgx s VAL 585 N 1.33 3.15 -0.18 4.02 1.01 -1.26 -0.96 120.40 127.50 2dgx s VAL 585 Ca -0.05 0.87 -0.17 0.00 0.00 0.00 0.00 61.98 62.63 2dgx s VAL 585 Cb -0.18 -3.56 -0.13 0.00 0.00 0.00 0.00 36.38 32.52 2dgx s VAL 585 CO -0.07 0.09 0.06 1.17 0.00 0.00 0.00 175.10 176.35 2dgx n LYS 586 N 3.42 0.52 -3.88 2.72 3.00 0.16 -4.71 118.16 119.39 2dgx n LYS 586 Ca 0.10 0.56 -0.08 0.00 -0.00 0.00 0.00 58.31 58.88 2dgx n LYS 586 Cb 0.42 -1.73 -0.01 0.00 0.00 0.00 0.00 35.03 33.71 2dgx n LYS 586 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2dgx s SER 587 N -6.43 -0.10 -0.08 3.14 0.15 -0.79 -5.00 113.70 104.60 2dgx s SER 587 Ca -0.23 -0.85 -0.03 0.00 0.70 0.00 0.00 55.95 55.53 2dgx s SER 587 Cb 0.04 0.74 0.04 0.00 -1.71 0.00 0.00 66.02 65.13 2dgx s SER 587 CO 0.45 -1.41 0.07 -0.69 1.20 0.00 0.00 173.24 172.86 2dgx s VAL 588 N -3.44 -0.11 -0.08 4.45 1.01 -1.26 -1.25 120.40 119.71 2dgx s VAL 588 Ca 0.15 0.27 0.02 0.00 0.00 0.00 0.00 61.98 62.42 2dgx s VAL 588 Cb -0.05 -0.27 -0.02 0.00 0.00 0.00 0.00 36.38 36.04 2dgx s VAL 588 CO 0.09 0.06 -0.13 -1.61 0.00 0.00 0.00 175.10 173.51 2dgx s GLU 589 N 2.17 2.86 0.10 2.72 0.41 -0.52 -5.00 118.70 121.43 2dgx s GLU 589 Ca 0.04 -0.68 0.09 0.00 -0.41 0.00 0.00 54.97 54.02 2dgx s GLU 589 Cb -0.13 -2.49 -0.04 0.00 -1.78 0.00 0.00 34.13 29.69 2dgx s GLU 589 CO -0.05 0.47 -0.22 -0.51 -0.49 0.00 0.00 175.26 174.47 2dgx s LEU 590 N -0.33 2.51 0.49 1.80 1.43 -1.26 -0.23 118.68 123.09 2dgx s LEU 590 Ca 0.03 -0.60 -0.14 0.00 -1.03 0.00 0.00 54.13 52.39 2dgx s LEU 590 Cb -0.13 -1.41 -0.07 0.00 0.03 0.00 0.00 46.19 44.61 2dgx s LEU 590 CO 0.02 0.20 0.93 -0.94 0.23 0.00 0.00 176.35 176.80 2dgx s SER 591 N -1.90 6.56 0.08 2.29 1.04 0.13 -4.95 113.70 116.95 2dgx s SER 591 Ca 0.15 1.44 0.17 0.00 0.48 0.00 0.00 55.95 58.19 2dgx s SER 591 Cb -0.10 -2.45 0.73 0.00 0.10 0.00 0.00 66.02 64.29 2dgx s SER 591 CO 0.07 -0.56 1.54 -0.81 0.98 0.00 0.00 173.24 174.46 2dgx n PRO 592 N -1.61 0.06 -2.01 4.02 -0.04 -1.26 -4.69 135.00 129.48 2dgx n PRO 592 Ca 0.05 0.31 -0.42 0.00 -0.04 0.00 0.00 63.50 63.40 2dgx n PRO 592 Cb 0.54 -1.62 -0.03 0.00 -0.04 0.00 0.00 33.50 32.36 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 -3.10 1.80 -0.44 0.54 3.76 -1.26 -4.84 115.29 111.74 2dgx s HIS 593 Ca 0.06 0.66 0.09 0.00 -0.15 0.00 0.00 55.06 55.71 2dgx s HIS 593 Cb 0.09 -4.12 0.56 0.00 1.11 0.00 0.00 32.58 30.22 2dgx s HIS 593 CO 0.30 -2.83 1.42 -2.37 -0.85 0.00 0.00 174.74 170.41 2dgx n THR 594 N 7.39 2.04 -4.48 1.30 5.66 -1.26 -4.10 114.28 120.83 2dgx n THR 594 Ca 0.23 -1.04 -0.24 0.00 -3.05 0.00 0.00 64.05 59.95 2dgx n THR 594 Cb 0.48 -0.40 -0.06 0.00 -1.55 0.00 0.00 70.33 68.80 2dgx n THR 594 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 2dgx n ASP 595 N 0.25 1.49 -0.65 1.09 9.92 -1.26 -4.99 116.55 122.40 2dgx n ASP 595 Ca 0.23 -2.95 0.49 0.00 -0.53 0.00 0.00 54.79 52.03 2dgx n ASP 595 Cb 0.99 0.84 0.75 0.00 -0.64 0.00 0.00 41.12 43.06 2dgx n ASP 595 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2dgx n TYR 596 N -0.87 0.01 -0.42 1.24 4.11 -1.26 0.72 117.16 120.70 2dgx n TYR 596 Ca -0.07 0.01 -0.04 0.00 -0.00 0.00 0.00 57.90 57.80 2dgx n TYR 596 Cb 0.55 -0.47 0.01 0.00 -0.00 0.00 0.00 39.34 39.44 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 -3.77 1.20 -3.17 -3.48 6.02 -1.26 -4.86 117.38 108.05 2dgx n GLN 597 Ca 0.41 -0.40 -0.39 0.00 -0.01 0.00 0.00 57.00 56.61 2dgx n GLN 597 Cb 1.85 -1.16 -0.05 0.00 1.02 0.00 0.00 30.24 31.90 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 -0.46 4.29 0.23 1.08 2.96 0.22 -4.58 118.68 122.42 2dgx s LEU 598 Ca 0.08 1.00 0.02 0.00 -0.22 0.00 0.00 54.13 55.01 2dgx s LEU 598 Cb 0.06 -2.90 -0.05 0.00 0.50 0.00 0.00 46.19 43.81 2dgx s LEU 598 CO 0.00 -0.07 0.04 -0.54 -1.32 0.00 0.00 176.35 174.45 2dgx s LYS 599 N 0.79 1.31 0.02 1.98 1.02 -1.26 -3.70 119.74 119.89 2dgx s LYS 599 Ca 0.32 -1.67 -0.28 0.00 0.02 0.00 0.00 55.97 54.36 2dgx s LYS 599 Cb -0.16 -0.40 0.08 0.00 -0.52 0.00 0.00 37.83 36.83 2dgx s LYS 599 CO 0.14 -0.18 0.74 0.00 -0.92 0.00 0.00 175.35 175.13 2dgx s ALA 600 N -3.60 -1.75 -0.15 5.17 0.00 -0.70 0.18 121.76 120.91 2dgx s ALA 600 Ca 0.31 1.01 0.00 0.00 0.00 0.00 0.00 51.96 53.27 2dgx s ALA 600 Cb 0.07 0.30 0.02 0.00 0.00 0.00 0.00 23.12 23.51 2dgx s ALA 600 CO 0.09 -0.57 -0.14 0.08 0.00 0.00 0.00 175.76 175.23 2dgx s VAL 601 N -2.48 1.55 -0.44 0.00 1.01 0.68 -0.62 120.40 120.11 2dgx s VAL 601 Ca -0.02 -0.63 -0.17 0.00 0.00 0.00 0.00 61.98 61.16 2dgx s VAL 601 Cb -0.01 -1.47 0.04 0.00 0.00 0.00 0.00 36.38 34.94 2dgx s VAL 601 CO -0.03 0.44 0.44 -0.69 0.00 0.00 0.00 175.10 175.26 2dgx s VAL 602 N 1.49 5.11 0.02 2.92 1.01 -0.15 -1.44 120.40 129.36 2dgx s VAL 602 Ca 0.05 -0.54 -0.28 0.00 0.00 0.00 0.00 61.98 61.21 2dgx s VAL 602 Cb -0.13 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 32.13 2dgx s VAL 602 CO -0.11 -0.49 0.90 -1.58 0.00 0.00 0.00 175.10 173.82 2dgx s GLN 603 N 2.06 4.56 0.05 2.72 0.74 -0.38 -1.27 119.66 128.15 2dgx s GLN 603 Ca 0.10 1.29 0.05 0.00 0.05 0.00 0.00 55.36 56.85 2dgx s GLN 603 Cb -0.19 -3.42 -0.04 0.00 1.10 0.00 0.00 33.01 30.46 2dgx s GLN 603 CO 0.12 0.08 -0.09 -1.64 -0.55 0.00 0.00 175.29 173.20 2dgx s MET 604 N 0.58 2.31 0.07 1.67 -1.94 0.69 0.35 119.30 123.04 2dgx s MET 604 Ca 0.46 -0.89 -0.32 0.00 -1.71 0.00 0.00 55.69 53.24 2dgx s MET 604 Cb -0.21 -2.38 -0.19 0.00 2.01 0.00 0.00 34.83 34.07 2dgx s MET 604 CO 0.26 0.55 1.60 0.93 -0.01 0.00 0.00 175.02 178.36 2dgx h GLU 605 N 4.10 -0.80 -6.45 2.03 4.39 -1.33 -3.06 114.58 113.46 2dgx h GLU 605 Ca -0.48 0.05 -0.47 0.00 0.34 0.00 0.00 59.36 58.80 2dgx h GLU 605 Cb 1.16 0.18 0.01 0.00 -0.10 0.00 0.00 28.75 30.00 2dgx h GLU 605 CO 0.53 -0.52 -0.24 1.21 -1.16 0.00 0.00 179.01 178.82 2dgx s ASN 606 N -4.48 6.30 -0.10 1.42 2.47 -1.26 -4.23 114.94 115.07 2dgx s ASN 606 Ca -0.17 0.38 -0.11 0.00 0.42 0.00 0.00 52.86 53.38 2dgx s ASN 606 Cb 0.03 -2.00 -0.09 0.00 -1.45 0.00 0.00 41.25 37.75 2dgx s ASN 606 CO 0.61 -0.25 0.35 0.25 -3.72 0.00 0.00 177.10 174.34 2dgx h LEU 607 N 0.85 -0.07 -0.36 3.21 7.12 -1.88 -3.32 115.31 120.86 2dgx h LEU 607 Ca -0.50 -0.26 0.07 0.00 0.13 0.00 0.00 57.88 57.32 2dgx h LEU 607 Cb 1.22 0.02 -0.07 0.00 -0.53 0.00 0.00 40.66 41.30 2dgx h LEU 607 CO 0.61 0.53 -0.09 -0.61 -0.13 0.00 0.00 178.44 178.76 2dgx h GLN 608 N -1.00 0.00 -1.26 1.25 -0.00 -1.99 -0.48 115.11 111.62 2dgx h GLN 608 Ca -0.01 -0.00 0.41 0.00 -0.00 0.00 0.00 58.65 59.05 2dgx h GLN 608 Cb 0.33 -0.00 -0.13 0.00 0.00 0.00 0.00 27.48 27.68 2dgx h GLN 608 CO 0.01 0.00 0.81 -0.44 0.00 0.00 0.00 178.83 179.21 2dgx h ASP 609 N 0.00 0.28 -0.00 -0.69 5.19 -1.98 0.25 116.42 119.48 2dgx h ASP 609 Ca 0.17 0.14 -0.01 0.00 -0.62 0.00 0.00 57.03 56.71 2dgx h ASP 609 Cb 0.26 0.12 0.00 0.00 0.18 0.00 0.00 39.33 39.89 2dgx h ASP 609 CO -0.37 -0.16 -0.02 0.00 -3.12 0.00 0.00 179.24 175.57 2dgx h ALA 610 N 1.63 0.01 -0.64 3.45 0.00 -1.19 -2.87 119.26 119.64 2dgx h ALA 610 Ca 0.79 -0.36 0.06 0.00 0.00 0.00 0.00 54.91 55.40 2dgx h ALA 610 Cb 2.40 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 20.12 2dgx h ALA 610 CO -0.43 -0.13 -0.38 -0.89 0.00 0.00 0.00 179.25 177.43 2dgx n ILE 611 N -4.73 -0.44 -0.04 0.00 5.41 0.88 -0.41 119.36 120.03 2dgx n ILE 611 Ca -0.09 1.90 -0.11 0.00 1.00 0.00 0.00 62.75 65.46 2dgx n ILE 611 Cb 0.36 -2.39 -0.05 0.00 -0.71 0.00 0.00 39.64 36.86 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 0.26 -0.17 7.39 0.00 -1.65 -2.44 103.07 106.46 2dgx h GLY 612 Ca 0.10 -0.13 0.30 0.00 0.00 0.00 0.00 47.33 47.61 2dgx h GLY 612 CO -0.60 0.12 0.75 0.00 0.00 0.00 0.00 176.54 176.81 2dgx h ALA 613 N 0.97 2.80 0.08 3.60 0.00 -0.75 0.55 119.26 126.51 2dgx h ALA 613 Ca 0.06 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2dgx h ALA 613 Cb 0.10 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2dgx h ALA 613 CO -0.01 -1.14 -0.04 0.28 0.00 0.00 0.00 179.25 178.34 2dgx h VAL 614 N 0.12 0.00 -0.01 0.00 2.07 -0.26 0.94 116.25 119.11 2dgx h VAL 614 Ca 0.54 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.83 2dgx h VAL 614 Cb 1.92 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.69 2dgx h VAL 614 CO -0.09 0.00 0.18 0.78 0.02 0.00 0.00 177.57 178.46 2dgx h ASN 615 N -0.35 0.00 0.00 0.57 2.35 -1.15 0.65 115.58 117.64 2dgx h ASN 615 Ca -0.01 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.73 2dgx h ASN 615 Cb 0.09 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.46 2dgx h ASN 615 CO 0.02 0.00 -0.35 0.28 -1.65 0.00 0.00 177.43 175.72 2dgx h SER 616 N 0.00 0.00 0.59 5.81 0.02 0.02 -3.36 113.55 116.63 2dgx h SER 616 Ca 0.00 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2dgx h SER 616 Cb 0.36 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.90 2dgx h SER 616 CO -0.00 0.69 0.00 -0.07 -1.14 0.00 0.00 176.83 176.31 2dgx h LEU 617 N -1.00 0.00 -7.52 5.07 3.38 -0.50 -3.45 115.31 111.29 2dgx h LEU 617 Ca -0.01 0.00 -0.73 0.00 0.09 0.00 0.00 57.88 57.23 2dgx h LEU 617 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2dgx h LEU 617 CO -0.00 0.00 0.65 1.57 0.09 0.00 0.00 178.44 180.74 2dgx n HIS 618 N -2.91 1.43 -2.83 1.13 -0.00 0.22 0.14 115.22 112.40 2dgx n HIS 618 Ca -0.00 0.93 -0.13 0.00 0.46 0.00 0.00 57.72 58.98 2dgx n HIS 618 Cb 0.20 -1.89 0.03 0.00 -0.12 0.00 0.00 29.99 28.21 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 3.74 -3.40 -1.95 1.57 5.12 0.62 -4.92 116.66 117.45 2dgx n ARG 619 Ca 0.29 0.51 -0.42 0.00 -1.93 0.00 0.00 57.85 56.30 2dgx n ARG 619 Cb -0.05 -4.56 -0.03 0.00 -1.16 0.00 0.00 32.46 26.67 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 -2.99 1.71 -0.83 -1.55 5.04 0.38 -4.69 117.35 114.42 2dgx s TYR 620 Ca 0.23 0.66 -0.21 0.00 -2.44 0.00 0.00 57.07 55.31 2dgx s TYR 620 Cb -0.10 -4.09 -0.20 0.00 0.35 0.00 0.00 41.96 37.92 2dgx s TYR 620 CO 0.28 -2.98 2.37 1.17 -1.34 0.00 0.00 175.55 175.05 2dgx n LYS 621 N 8.55 0.39 -4.40 4.97 3.00 -1.26 -3.38 118.16 126.03 2dgx n LYS 621 Ca 0.24 -0.34 -0.25 0.00 -0.00 0.00 0.00 58.31 57.95 2dgx n LYS 621 Cb 0.47 -2.54 -0.10 0.00 0.00 0.00 0.00 35.03 32.86 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 9.09 2.69 0.00 3.15 1.01 -1.20 -5.03 121.20 130.91 2dgx s ILE 622 Ca 1.12 -2.06 0.00 0.00 0.00 0.00 0.00 60.65 59.70 2dgx s ILE 622 Cb -0.51 -2.36 0.00 0.00 0.01 0.00 0.00 42.46 39.60 2dgx s ILE 622 CO 0.32 -0.24 0.00 0.61 0.00 0.00 0.00 174.94 175.63 2dgx n GLY 623 N -0.20 1.40 0.01 6.18 0.00 -1.26 -1.32 105.19 110.01 2dgx n GLY 623 Ca -0.09 0.35 0.01 0.00 0.00 0.00 0.00 46.02 46.29 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 2.25 1.72 -3.90 1.61 7.64 -1.26 -5.03 113.62 116.65 2dgx n SER 624 Ca 0.00 -1.96 -0.11 0.00 1.01 0.00 0.00 58.87 57.82 2dgx n SER 624 Cb 0.00 -0.04 -0.11 0.00 -1.01 0.00 0.00 64.21 63.05 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 -1.01 0.31 -0.24 1.43 1.02 -0.43 -5.04 119.74 115.78 2dgx s LYS 625 Ca 0.03 -0.33 -0.27 0.00 0.02 0.00 0.00 55.97 55.42 2dgx s LYS 625 Cb 0.02 0.13 0.00 0.00 -0.52 0.00 0.00 37.83 37.46 2dgx s LYS 625 CO 0.00 -0.06 0.93 0.15 -0.92 0.00 0.00 175.35 175.45 2dgx s LYS 626 N -1.01 4.21 0.17 1.68 3.01 -1.26 -3.24 119.74 123.30 2dgx s LYS 626 Ca -0.11 1.12 -0.30 0.00 -1.01 0.00 0.00 55.97 55.67 2dgx s LYS 626 Cb -0.06 -3.65 -0.07 0.00 -1.01 0.00 0.00 37.83 33.03 2dgx s LYS 626 CO 0.00 -0.58 0.98 0.96 0.51 0.00 0.00 175.35 177.22 2dgx s ILE 627 N 3.03 4.21 -0.30 2.17 -4.36 -1.22 -4.76 121.20 119.96 2dgx s ILE 627 Ca 0.39 1.98 -0.08 0.00 -0.26 0.00 0.00 60.65 62.68 2dgx s ILE 627 Cb -0.15 -4.26 0.00 0.00 1.25 0.00 0.00 42.46 39.30 2dgx s ILE 627 CO 0.07 0.37 0.11 -0.76 0.24 0.00 0.00 174.94 174.98 2dgx s LEU 628 N -0.53 3.96 0.21 0.37 1.43 0.74 -0.27 118.68 124.59 2dgx s LEU 628 Ca 0.45 -0.62 -0.11 0.00 -1.03 0.00 0.00 54.13 52.82 2dgx s LEU 628 Cb -0.26 -1.94 -0.07 0.00 0.03 0.00 0.00 46.19 43.96 2dgx s LEU 628 CO 0.32 -0.19 0.55 -0.69 0.23 0.00 0.00 176.35 176.57 2dgx s VAL 629 N 1.55 4.91 -0.27 -1.59 1.01 -1.26 -1.19 120.40 123.55 2dgx s VAL 629 Ca 0.04 0.56 -0.24 0.00 0.00 0.00 0.00 61.98 62.34 2dgx s VAL 629 Cb -0.17 -3.64 0.08 0.00 0.00 0.00 0.00 36.38 32.65 2dgx s VAL 629 CO 0.04 -0.00 0.75 -0.94 0.00 0.00 0.00 175.10 174.95 2dgx s SER 630 N -2.21 -0.75 0.67 3.32 1.04 0.27 -4.89 113.70 111.17 2dgx s SER 630 Ca 0.45 1.39 -0.11 0.00 0.48 0.00 0.00 55.95 58.17 2dgx s SER 630 Cb -0.12 1.40 -0.01 0.00 0.10 0.00 0.00 66.02 67.39 2dgx s SER 630 CO 0.21 -0.24 1.05 -0.76 0.98 0.00 0.00 173.24 174.48 2dgx s LEU 631 N 0.56 3.16 0.00 2.42 1.43 -1.26 0.17 118.68 125.16 2dgx s LEU 631 Ca -0.01 1.57 0.01 0.00 -1.03 0.00 0.00 54.13 54.66 2dgx s LEU 631 Cb -0.05 -4.49 -0.00 0.00 0.03 0.00 0.00 46.19 41.68 2dgx s LEU 631 CO -0.03 -1.29 0.02 0.00 0.23 0.00 0.00 176.35 175.28 2dgx n ALA 632 N -3.02 0.43 -3.60 4.21 0.00 -0.88 -4.68 120.51 112.97 2dgx n ALA 632 Ca 0.07 -2.17 -0.40 0.00 0.00 0.00 0.00 53.44 50.94 2dgx n ALA 632 Cb 0.54 1.22 -0.09 0.00 0.00 0.00 0.00 19.45 21.11 2dgx n ALA 632 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2dgx s THR 633 N -2.80 3.98 0.00 0.00 2.01 -1.26 -4.86 115.64 112.70 2dgx s THR 633 Ca 0.03 -1.85 0.00 0.00 0.31 0.00 0.00 61.69 60.18 2dgx s THR 633 Cb 0.00 -3.64 0.00 0.00 0.01 0.00 0.00 72.50 68.87 2dgx s THR 633 CO 0.02 -0.75 0.00 0.61 -0.69 0.00 0.00 174.62 173.81 2dgx n GLY 634 N 4.83 0.81 3.57 4.40 0.00 -1.26 -5.03 105.19 112.51 2dgx n GLY 634 Ca -0.07 -0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.00 2.76 -0.24 4.61 0.00 -1.24 -4.95 121.76 120.70 2dgx s ALA 635 Ca 0.00 -0.83 -0.14 0.00 0.00 0.00 0.00 51.96 50.99 2dgx s ALA 635 Cb 0.00 -4.14 0.07 0.00 0.00 0.00 0.00 23.12 19.05 2dgx s ALA 635 CO 0.00 -3.06 0.60 -1.54 0.00 0.00 0.00 175.76 171.76 2dgx s SER 636 N 4.44 -0.81 0.00 0.00 1.04 -1.26 -4.97 113.70 112.14 2dgx s SER 636 Ca 0.49 1.31 0.00 0.00 0.48 0.00 0.00 55.95 58.23 2dgx s SER 636 Cb -0.10 1.19 0.00 0.00 0.10 0.00 0.00 66.02 67.21 2dgx s SER 636 CO 0.23 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.83 2dgx n GLY 637 N 4.31 1.14 0.23 7.32 0.00 -1.26 -5.01 105.19 111.92 2dgx n GLY 637 Ca -0.21 -0.51 0.16 0.00 0.00 0.00 0.00 46.02 45.45 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 0.00 0.00 -7.04 1.61 0.13 -1.98 -3.47 132.00 121.26 2dgx h PRO 638 Ca 0.00 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.52 2dgx h PRO 638 Cb 0.00 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 31.00 2dgx h PRO 638 CO 0.00 0.00 -0.98 0.43 -0.23 0.00 0.00 178.00 177.22 2dgx n SER 639 N -2.82 -1.03 -4.82 1.44 7.64 -1.26 -4.87 113.62 107.90 2dgx n SER 639 Ca 0.01 -1.28 -0.34 0.00 1.01 0.00 0.00 58.87 58.27 2dgx n SER 639 Cb 0.27 -1.57 -0.07 0.00 -1.01 0.00 0.00 64.21 61.83 2dgx n SER 639 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dgx s SER 640 N -4.05 6.97 0.00 6.43 0.15 -1.26 -5.12 113.70 116.82 2dgx s SER 640 Ca 0.20 1.64 0.00 0.00 0.70 0.00 0.00 55.95 58.48 2dgx s SER 640 Cb -0.11 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 2dgx s SER 640 CO 0.98 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 175.75