#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dgx h SER 547 N 0.00 -0.38 -3.23 1.61 0.02 -2.10 -3.36 113.55 106.11 2dgx h SER 547 Ca 0.00 0.06 -0.73 0.00 -0.84 0.00 0.00 61.79 60.28 2dgx h SER 547 Cb 0.00 0.17 -0.22 0.00 0.14 0.00 0.00 62.40 62.49 2dgx h SER 547 CO 0.00 -0.18 -0.22 -0.55 -1.14 0.00 0.00 176.83 174.74 2dgx s SER 548 N -5.03 6.17 -0.37 3.07 0.15 -1.26 -4.92 113.70 111.51 2dgx s SER 548 Ca -0.14 -1.35 0.12 0.00 0.70 0.00 0.00 55.95 55.28 2dgx s SER 548 Cb 0.09 -2.21 0.45 0.00 -1.71 0.00 0.00 66.02 62.63 2dgx s SER 548 CO 0.67 -0.76 1.04 0.61 1.20 0.00 0.00 173.24 176.00 2dgx n GLY 549 N 5.21 3.70 3.91 9.45 0.00 -1.26 -5.09 105.19 121.11 2dgx n GLY 549 Ca -0.12 -1.98 -0.28 0.00 0.00 0.00 0.00 46.02 43.65 2dgx n GLY 549 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dgx s SER 550 N -3.36 5.41 0.41 1.61 0.01 -1.26 -4.99 113.70 111.53 2dgx s SER 550 Ca 0.37 0.81 -0.22 0.00 1.31 0.00 0.00 55.95 58.22 2dgx s SER 550 Cb 0.42 -1.68 -0.14 0.00 0.21 0.00 0.00 66.02 64.83 2dgx s SER 550 CO -0.06 -1.24 0.36 -1.20 0.41 0.00 0.00 173.24 171.51 2dgx n SER 551 N -2.78 -1.69 0.00 2.44 7.64 -1.26 -4.65 113.62 113.32 2dgx n SER 551 Ca 0.06 0.87 0.00 0.00 1.01 0.00 0.00 58.87 60.81 2dgx n SER 551 Cb 0.58 -1.02 0.00 0.00 -1.01 0.00 0.00 64.21 62.76 2dgx n SER 551 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dgx n GLY 552 N 2.01 0.68 3.63 0.23 0.00 -1.26 -5.09 105.19 105.39 2dgx n GLY 552 Ca 0.12 -0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 2dgx n GLY 552 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dgx s ASN 553 N 0.00 6.59 0.00 1.61 4.22 -1.26 -4.95 114.94 121.15 2dgx s ASN 553 Ca 0.00 1.29 0.00 0.00 -2.14 0.00 0.00 52.86 52.01 2dgx s ASN 553 Cb 0.00 -2.54 0.00 0.00 1.28 0.00 0.00 41.25 39.99 2dgx s ASN 553 CO 0.00 -1.14 0.00 0.61 -2.04 0.00 0.00 177.10 174.53 2dgx n GLY 554 N 4.43 0.06 3.03 0.45 0.00 -1.26 -5.08 105.19 106.81 2dgx n GLY 554 Ca 0.16 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 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 -4.00 -0.54 -0.17 4.61 0.00 -1.02 -4.70 121.76 115.95 2dgx s ALA 555 Ca 0.00 0.96 -0.01 0.00 0.00 0.00 0.00 51.96 52.91 2dgx s ALA 555 Cb 0.00 -0.74 -0.00 0.00 0.00 0.00 0.00 23.12 22.38 2dgx s ALA 555 CO 0.00 -0.33 -0.12 -0.51 0.00 0.00 0.00 175.76 174.80 2dgx s ASP 556 N 1.61 3.90 -0.38 0.00 1.01 -1.26 -0.36 116.67 121.19 2dgx s ASP 556 Ca -0.06 -0.43 -0.03 0.00 0.71 0.00 0.00 52.55 52.74 2dgx s ASP 556 Cb -0.11 -1.62 0.09 0.00 1.01 0.00 0.00 42.92 42.29 2dgx s ASP 556 CO -0.08 0.06 0.15 -0.69 0.21 0.00 0.00 175.17 174.82 2dgx s VAL 557 N 0.95 3.25 0.07 -1.27 1.01 0.13 -2.48 120.40 122.07 2dgx s VAL 557 Ca -0.02 -1.83 -0.31 0.00 0.00 0.00 0.00 61.98 59.83 2dgx s VAL 557 Cb -0.15 -3.12 -0.06 0.00 0.00 0.00 0.00 36.38 33.05 2dgx s VAL 557 CO -0.01 -0.51 1.28 -1.10 0.00 0.00 0.00 175.10 174.75 2dgx s GLN 558 N 1.19 4.38 -0.08 2.72 -0.21 0.21 -0.93 119.66 126.95 2dgx s GLN 558 Ca 0.04 1.88 0.03 0.00 0.02 0.00 0.00 55.36 57.34 2dgx s GLN 558 Cb -0.22 -3.33 0.01 0.00 1.00 0.00 0.00 33.01 30.47 2dgx s GLN 558 CO -0.03 -0.34 -0.18 0.08 -2.12 0.00 0.00 175.29 172.70 2dgx s VAL 559 N 1.18 1.57 0.23 1.09 1.01 0.18 -0.39 120.40 125.27 2dgx s VAL 559 Ca 0.61 -0.74 0.04 0.00 0.00 0.00 0.00 61.98 61.89 2dgx s VAL 559 Cb -0.32 -1.38 -0.05 0.00 0.00 0.00 0.00 36.38 34.62 2dgx s VAL 559 CO 0.29 0.45 -0.01 -0.44 0.00 0.00 0.00 175.10 175.39 2dgx s SER 560 N 0.46 1.91 -0.83 3.32 0.01 -0.19 -1.16 113.70 117.21 2dgx s SER 560 Ca -0.15 -1.20 -0.03 0.00 1.31 0.00 0.00 55.95 55.88 2dgx s SER 560 Cb -0.16 -0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.06 2dgx s SER 560 CO 0.06 -0.49 0.34 -3.20 0.41 0.00 0.00 173.24 170.36 2dgx n ASN 561 N -0.42 -4.02 -4.63 2.44 5.15 -1.23 -0.29 115.26 112.26 2dgx n ASN 561 Ca -0.05 -0.16 -0.42 0.00 -0.60 0.00 0.00 54.58 53.34 2dgx n ASN 561 Cb 0.64 -2.90 -0.03 0.00 -0.53 0.00 0.00 39.78 36.95 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 -2.88 4.69 -0.97 -1.44 1.01 -1.24 -4.18 121.20 116.18 2dgx s ILE 562 Ca 0.17 1.57 -0.20 0.00 0.00 0.00 0.00 60.65 62.19 2dgx s ILE 562 Cb -0.07 -4.25 -0.27 0.00 0.01 0.00 0.00 42.46 37.88 2dgx s ILE 562 CO 0.21 -0.28 2.41 -0.90 0.00 0.00 0.00 174.94 176.38 2dgx n ASP 563 N 6.40 -0.38 -0.02 3.58 5.68 -1.26 -4.71 116.55 125.83 2dgx n ASP 563 Ca 0.08 -0.28 0.10 0.00 -0.50 0.00 0.00 54.79 54.19 2dgx n ASP 563 Cb 0.47 -0.80 0.50 0.00 -1.14 0.00 0.00 41.12 40.15 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 11.91 0.39 -0.91 2.11 -0.00 -1.91 -2.79 116.97 125.77 2dgx h TYR 564 Ca -0.01 0.01 0.12 0.00 -0.00 0.00 0.00 58.73 58.85 2dgx h TYR 564 Cb 1.21 -0.13 -0.14 0.00 -0.00 0.00 0.00 36.73 37.67 2dgx h TYR 564 CO 1.23 0.21 -0.45 0.00 -0.00 0.00 0.00 178.16 179.15 2dgx h ARG 565 N 0.39 -0.04 -6.89 0.10 3.08 -1.96 -3.41 114.38 105.64 2dgx h ARG 565 Ca 0.22 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.74 2dgx h ARG 565 Cb 0.36 0.01 0.21 0.00 0.08 0.00 0.00 29.97 30.63 2dgx h ARG 565 CO -0.05 -0.03 -0.33 1.28 -1.07 0.00 0.00 179.97 179.77 2dgx n LEU 566 N -5.40 0.96 -4.75 3.04 4.77 -1.05 -4.98 117.00 109.59 2dgx n LEU 566 Ca 0.06 0.40 -0.29 0.00 -0.03 0.00 0.00 56.01 56.16 2dgx n LEU 566 Cb 0.35 -1.28 0.15 0.00 -2.33 0.00 0.00 43.42 40.31 2dgx n LEU 566 CO -0.11 -3.13 0.69 -0.55 -1.33 0.00 0.00 177.39 172.95 2dgx s SER 567 N -2.07 3.23 0.09 -1.43 0.15 -1.26 -4.90 113.70 107.51 2dgx s SER 567 Ca 0.61 1.04 -0.15 0.00 0.70 0.00 0.00 55.95 58.16 2dgx s SER 567 Cb -0.24 -1.66 -0.12 0.00 -1.71 0.00 0.00 66.02 62.30 2dgx s SER 567 CO 0.63 -2.74 1.35 0.03 1.20 0.00 0.00 173.24 173.72 2dgx h ARG 568 N -1.62 0.71 -0.14 5.44 3.08 -1.93 -2.38 114.38 117.54 2dgx h ARG 568 Ca -0.52 -0.47 -0.17 0.00 0.07 0.00 0.00 59.98 58.89 2dgx h ARG 568 Cb 1.33 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 31.44 2dgx h ARG 568 CO 0.60 1.09 -0.64 0.87 -1.07 0.00 0.00 179.97 180.83 2dgx h LYS 569 N 0.43 0.50 0.00 0.04 1.57 -1.98 -0.60 116.57 116.53 2dgx h LYS 569 Ca 0.00 -0.36 -0.03 0.00 -1.87 0.00 0.00 60.65 58.40 2dgx h LYS 569 Cb 1.08 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.44 2dgx h LYS 569 CO 0.10 0.98 -0.13 1.49 -0.57 0.00 0.00 179.45 181.32 2dgx h GLU 570 N 0.37 0.00 0.00 3.15 4.81 -1.94 -2.78 114.58 118.19 2dgx h GLU 570 Ca -0.01 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.16 2dgx h GLU 570 Cb 1.20 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 2dgx h GLU 570 CO 0.12 0.13 -0.68 -0.07 -0.73 0.00 0.00 179.01 177.77 2dgx h LEU 571 N 0.00 0.00 -1.64 1.64 3.38 -1.25 -2.98 115.31 114.45 2dgx h LEU 571 Ca -0.00 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 57.86 2dgx h LEU 571 Cb 0.59 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 2dgx h LEU 571 CO 0.02 0.93 0.47 0.06 0.09 0.00 0.00 178.44 180.01 2dgx h GLN 572 N -1.00 0.00 0.04 1.13 -0.00 -1.18 0.39 115.11 114.49 2dgx h GLN 572 Ca -0.09 0.00 -0.29 0.00 -0.00 0.00 0.00 58.65 58.28 2dgx h GLN 572 Cb 0.69 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 28.14 2dgx h GLN 572 CO -0.05 0.00 -1.57 0.00 -0.00 0.00 0.00 178.83 177.21 2dgx n GLN 573 N -2.91 0.63 -0.12 0.06 10.64 -1.05 -3.60 117.38 121.04 2dgx n GLN 573 Ca -0.00 0.46 -0.08 0.00 -1.83 0.00 0.00 57.00 55.55 2dgx n GLN 573 Cb 0.53 -1.73 0.00 0.00 -0.86 0.00 0.00 30.24 28.19 2dgx n GLN 573 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.06 175.16 2dgx h LEU 574 N -0.63 0.39 -0.15 2.61 3.38 -0.84 -2.13 115.31 117.94 2dgx h LEU 574 Ca -0.39 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.60 2dgx h LEU 574 Cb 1.57 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 42.22 2dgx h LEU 574 CO -0.11 0.28 0.02 -0.07 0.09 0.00 0.00 178.44 178.64 2dgx h LEU 575 N 0.48 -0.02 -1.70 1.67 3.38 -1.25 -1.70 115.31 116.16 2dgx h LEU 575 Ca 0.15 0.03 0.11 0.00 0.09 0.00 0.00 57.88 58.25 2dgx h LEU 575 Cb -0.01 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 2dgx h LEU 575 CO -0.06 0.01 0.39 -0.61 0.09 0.00 0.00 178.44 178.26 2dgx h GLN 576 N 0.07 0.32 0.33 1.13 4.15 -1.56 -1.56 115.11 118.00 2dgx h GLN 576 Ca 0.07 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.45 2dgx h GLN 576 Cb 0.07 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.69 2dgx h GLN 576 CO -0.10 0.21 -0.16 0.93 -1.93 0.00 0.00 178.83 177.78 2dgx h GLU 577 N 0.33 -0.43 0.33 1.69 4.39 -0.65 -0.09 114.58 120.15 2dgx h GLU 577 Ca 0.27 0.03 -0.00 0.00 0.34 0.00 0.00 59.36 60.00 2dgx h GLU 577 Cb 0.61 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.34 2dgx h GLU 577 CO -0.07 -0.14 -0.30 0.00 -1.16 0.00 0.00 179.01 177.34 2dgx h ALA 578 N -0.13 -0.66 -0.06 3.43 0.00 -0.97 -1.40 119.26 119.48 2dgx h ALA 578 Ca -0.05 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.78 2dgx h ALA 578 Cb 0.48 0.43 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 2dgx h ALA 578 CO 0.07 -0.90 0.06 0.74 0.00 0.00 0.00 179.25 179.22 2dgx h PHE 579 N -0.65 0.00 -0.35 0.00 0.04 -1.36 -1.64 116.94 112.98 2dgx h PHE 579 Ca -0.02 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.60 2dgx h PHE 579 Cb 0.59 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.73 2dgx h PHE 579 CO -0.17 0.00 -0.38 0.00 -0.60 0.00 0.00 178.31 177.15 2dgx h ALA 580 N 1.95 0.52 0.00 2.45 0.00 -0.09 -2.57 119.26 121.51 2dgx h ALA 580 Ca 0.03 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2dgx h ALA 580 Cb 0.14 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2dgx h ALA 580 CO -0.00 0.62 0.16 0.00 0.00 0.00 0.00 179.25 180.03 2dgx h ARG 581 N 0.67 0.00 0.00 0.00 3.08 -0.27 -3.10 114.38 114.76 2dgx h ARG 581 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 2dgx h ARG 581 Cb 0.98 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.03 2dgx h ARG 581 CO 0.09 0.00 -0.15 0.72 -1.07 0.00 0.00 179.97 179.57 2dgx n HIS 582 N -2.98 0.22 0.00 3.04 8.25 -1.07 -5.08 115.22 117.60 2dgx n HIS 582 Ca -0.03 0.09 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 2dgx n HIS 582 Cb 0.22 -0.36 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 1.69 2.71 2.75 -1.41 0.00 -0.99 -5.08 105.19 104.85 2dgx n GLY 583 Ca -0.02 -0.20 -0.29 0.00 0.00 0.00 0.00 46.02 45.51 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 3.09 0.76 -0.02 1.61 2.47 -1.26 -4.67 119.74 121.73 2dgx s LYS 584 Ca 0.00 -0.86 -0.32 0.00 -1.56 0.00 0.00 55.97 53.23 2dgx s LYS 584 Cb 0.00 -2.05 -0.11 0.00 -1.46 0.00 0.00 37.83 34.21 2dgx s LYS 584 CO 0.00 -0.85 1.91 0.28 0.16 0.00 0.00 175.35 176.84 2dgx n VAL 585 N 4.90 0.62 0.11 4.02 0.31 -1.26 -2.19 118.33 124.84 2dgx n VAL 585 Ca -0.05 -0.11 -0.23 0.00 -0.01 0.00 0.00 64.34 63.94 2dgx n VAL 585 Cb 0.44 -2.05 -0.15 0.00 -0.91 0.00 0.00 33.84 31.16 2dgx n VAL 585 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 2dgx h LYS 586 N 9.58 0.45 -2.05 5.55 3.64 -1.29 -3.45 116.57 129.00 2dgx h LYS 586 Ca -0.49 -0.77 0.27 0.00 -1.27 0.00 0.00 60.65 58.39 2dgx h LYS 586 Cb 1.26 0.29 -0.08 0.00 -0.41 0.00 0.00 32.23 33.29 2dgx h LYS 586 CO 0.94 1.37 0.74 0.45 -2.27 0.00 0.00 179.45 180.68 2dgx s SER 587 N -7.36 -0.04 -0.03 4.20 0.15 -1.13 -4.98 113.70 104.51 2dgx s SER 587 Ca -0.11 -0.34 -0.01 0.00 0.70 0.00 0.00 55.95 56.19 2dgx s SER 587 Cb 0.03 0.29 0.03 0.00 -1.71 0.00 0.00 66.02 64.66 2dgx s SER 587 CO 0.90 -0.57 0.04 -0.69 1.20 0.00 0.00 173.24 174.12 2dgx s VAL 588 N -2.36 -0.04 0.06 4.45 1.01 -1.26 -1.54 120.40 120.71 2dgx s VAL 588 Ca 0.20 0.29 0.08 0.00 0.00 0.00 0.00 61.98 62.56 2dgx s VAL 588 Cb 0.00 -0.14 -0.03 0.00 0.00 0.00 0.00 36.38 36.21 2dgx s VAL 588 CO 0.00 0.14 -0.22 -1.61 0.00 0.00 0.00 175.10 173.42 2dgx s GLU 589 N 1.55 1.87 0.13 2.72 2.02 -0.59 -5.02 118.70 121.38 2dgx s GLU 589 Ca -0.03 -1.09 0.11 0.00 0.02 0.00 0.00 54.97 53.98 2dgx s GLU 589 Cb -0.13 -2.08 -0.04 0.00 0.10 0.00 0.00 34.13 31.98 2dgx s GLU 589 CO -0.03 0.51 -0.26 -0.51 0.02 0.00 0.00 175.26 174.99 2dgx s LEU 590 N -1.55 2.36 0.50 1.80 1.43 -1.26 -1.87 118.68 120.10 2dgx s LEU 590 Ca 0.14 -0.73 -0.05 0.00 -1.03 0.00 0.00 54.13 52.46 2dgx s LEU 590 Cb -0.10 -1.26 -0.02 0.00 0.03 0.00 0.00 46.19 44.84 2dgx s LEU 590 CO 0.05 0.18 0.80 -0.44 0.23 0.00 0.00 176.35 177.17 2dgx s SER 591 N -2.06 6.08 0.27 2.29 0.01 -0.90 -4.96 113.70 114.44 2dgx s SER 591 Ca 0.14 0.83 0.05 0.00 1.31 0.00 0.00 55.95 58.29 2dgx s SER 591 Cb -0.10 -2.07 0.39 0.00 0.21 0.00 0.00 66.02 64.44 2dgx s SER 591 CO 0.06 -0.69 1.66 1.55 0.41 0.00 0.00 173.24 176.23 2dgx h PRO 592 N 0.16 0.26 -6.21 12.44 0.13 -1.97 -3.46 132.00 133.34 2dgx h PRO 592 Ca -0.47 -0.14 -0.63 0.00 -0.87 0.00 0.00 66.00 63.90 2dgx h PRO 592 Cb 1.22 0.00 0.13 0.00 0.13 0.00 0.00 31.00 32.49 2dgx h PRO 592 CO 0.61 0.67 -0.42 0.72 -0.23 0.00 0.00 178.00 179.35 2dgx n HIS 593 N -3.99 -0.41 -1.90 1.56 8.25 -1.26 -4.91 115.22 112.57 2dgx n HIS 593 Ca -0.02 0.73 0.05 0.00 -0.26 0.00 0.00 57.72 58.22 2dgx n HIS 593 Cb 0.52 -2.00 0.11 0.00 1.12 0.00 0.00 29.99 29.74 2dgx n HIS 593 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 2dgx n THR 594 N -0.45 1.15 -4.24 1.59 5.66 -1.26 -4.80 114.28 111.93 2dgx n THR 594 Ca 0.13 -1.98 -0.18 0.00 -3.05 0.00 0.00 64.05 58.97 2dgx n THR 594 Cb 0.34 0.28 -0.07 0.00 -1.55 0.00 0.00 70.33 69.33 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 -0.46 -0.72 -0.47 1.09 8.00 -1.26 -4.99 116.55 117.74 2dgx n ASP 595 Ca 0.12 -3.02 0.40 0.00 0.71 0.00 0.00 54.79 53.00 2dgx n ASP 595 Cb 0.85 1.63 0.61 0.00 -0.02 0.00 0.00 41.12 44.19 2dgx n ASP 595 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2dgx n TYR 596 N -0.59 0.00 -0.50 1.24 4.11 -1.26 0.60 117.16 120.76 2dgx n TYR 596 Ca 0.07 0.00 -0.06 0.00 -0.00 0.00 0.00 57.90 57.90 2dgx n TYR 596 Cb 0.56 -0.37 0.02 0.00 -0.00 0.00 0.00 39.34 39.55 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 -3.50 1.31 -3.20 -3.48 1.13 -1.26 -4.77 117.38 103.60 2dgx n GLN 597 Ca 0.33 -0.61 -0.37 0.00 -1.94 0.00 0.00 57.00 54.41 2dgx n GLN 597 Cb 1.70 -1.24 -0.06 0.00 0.11 0.00 0.00 30.24 30.75 2dgx n GLN 597 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 2dgx s LEU 598 N -0.71 4.40 0.33 1.08 2.96 0.20 -4.76 118.68 122.18 2dgx s LEU 598 Ca 0.12 1.31 0.02 0.00 -0.22 0.00 0.00 54.13 55.36 2dgx s LEU 598 Cb 0.10 -3.33 -0.02 0.00 0.50 0.00 0.00 46.19 43.44 2dgx s LEU 598 CO 0.00 0.12 0.37 -0.54 -1.32 0.00 0.00 176.35 174.97 2dgx s LYS 599 N -1.72 1.80 0.15 1.98 1.02 -1.26 -3.53 119.74 118.17 2dgx s LYS 599 Ca 0.38 -1.87 -0.25 0.00 0.02 0.00 0.00 55.97 54.25 2dgx s LYS 599 Cb -0.17 0.38 0.07 0.00 -0.52 0.00 0.00 37.83 37.59 2dgx s LYS 599 CO 0.20 -0.70 1.00 0.00 -0.92 0.00 0.00 175.35 174.93 2dgx s ALA 600 N -3.30 -1.68 -0.10 5.17 0.00 -0.31 -2.11 121.76 119.43 2dgx s ALA 600 Ca 0.36 0.07 -0.03 0.00 0.00 0.00 0.00 51.96 52.36 2dgx s ALA 600 Cb 0.01 0.64 0.04 0.00 0.00 0.00 0.00 23.12 23.82 2dgx s ALA 600 CO 0.23 -1.05 0.07 0.08 0.00 0.00 0.00 175.76 175.10 2dgx s VAL 601 N -2.99 -0.10 -0.28 0.00 1.01 -0.78 -0.64 120.40 116.62 2dgx s VAL 601 Ca 0.14 0.14 -0.13 0.00 0.00 0.00 0.00 61.98 62.13 2dgx s VAL 601 Cb -0.01 -0.36 -0.04 0.00 0.00 0.00 0.00 36.38 35.97 2dgx s VAL 601 CO 0.02 -0.04 0.29 -0.69 0.00 0.00 0.00 175.10 174.68 2dgx s VAL 602 N 2.15 5.24 0.25 2.92 1.01 -0.11 -1.55 120.40 130.32 2dgx s VAL 602 Ca 0.04 0.33 -0.19 0.00 0.00 0.00 0.00 61.98 62.15 2dgx s VAL 602 Cb -0.14 -3.64 -0.09 0.00 0.00 0.00 0.00 36.38 32.52 2dgx s VAL 602 CO -0.06 0.17 0.74 -1.10 0.00 0.00 0.00 175.10 174.85 2dgx s GLN 603 N 1.92 4.22 -0.01 2.72 1.11 -0.59 -0.69 119.66 128.33 2dgx s GLN 603 Ca 0.11 0.86 0.05 0.00 0.01 0.00 0.00 55.36 56.39 2dgx s GLN 603 Cb -0.16 -2.77 -0.01 0.00 -1.01 0.00 0.00 33.01 29.05 2dgx s GLN 603 CO 0.11 0.33 -0.17 -1.64 0.01 0.00 0.00 175.29 173.93 2dgx s MET 604 N -2.20 1.37 0.06 2.91 -1.94 0.52 -0.86 119.30 119.16 2dgx s MET 604 Ca 0.46 -0.60 -0.32 0.00 -1.71 0.00 0.00 55.69 53.52 2dgx s MET 604 Cb -0.15 -1.32 -0.17 0.00 2.01 0.00 0.00 34.83 35.19 2dgx s MET 604 CO 0.20 0.35 1.49 0.93 -0.01 0.00 0.00 175.02 177.98 2dgx h GLU 605 N 5.76 -1.05 -6.59 2.03 5.08 -1.75 -2.70 114.58 115.36 2dgx h GLU 605 Ca -0.36 0.07 -0.51 0.00 -1.00 0.00 0.00 59.36 57.56 2dgx h GLU 605 Cb 1.15 0.24 -0.03 0.00 0.50 0.00 0.00 28.75 30.61 2dgx h GLU 605 CO 0.48 -0.70 0.03 1.21 -1.00 0.00 0.00 179.01 179.03 2dgx s ASN 606 N -3.81 6.78 -0.04 1.42 2.47 -1.26 -4.52 114.94 115.98 2dgx s ASN 606 Ca -0.17 1.19 -0.17 0.00 0.42 0.00 0.00 52.86 54.13 2dgx s ASN 606 Cb 0.02 -2.33 -0.11 0.00 -1.45 0.00 0.00 41.25 37.38 2dgx s ASN 606 CO 0.52 -0.11 0.72 0.25 -3.72 0.00 0.00 177.10 174.76 2dgx h LEU 607 N 2.63 -0.37 -1.73 3.21 7.12 -1.84 -3.23 115.31 121.11 2dgx h LEU 607 Ca -0.48 -0.10 0.18 0.00 0.13 0.00 0.00 57.88 57.61 2dgx h LEU 607 Cb 1.18 0.10 -0.05 0.00 -0.53 0.00 0.00 40.66 41.36 2dgx h LEU 607 CO 0.66 0.10 0.52 -0.61 -0.13 0.00 0.00 178.44 178.98 2dgx h GLN 608 N -1.04 0.24 -0.62 1.25 5.75 -1.97 0.12 115.11 118.84 2dgx h GLN 608 Ca -0.04 -0.01 0.04 0.00 -0.15 0.00 0.00 58.65 58.48 2dgx h GLN 608 Cb 0.45 -0.05 -0.04 0.00 1.07 0.00 0.00 27.48 28.91 2dgx h GLN 608 CO 0.07 0.16 0.41 -0.44 -2.65 0.00 0.00 178.83 176.39 2dgx h ASP 609 N 0.25 0.62 0.08 -0.69 3.32 -1.97 -2.86 116.42 115.16 2dgx h ASP 609 Ca 0.38 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.42 2dgx h ASP 609 Cb 1.11 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.52 2dgx h ASP 609 CO -0.09 0.43 -0.04 0.00 -1.72 0.00 0.00 179.24 177.82 2dgx h ALA 610 N 1.64 -0.11 -0.45 3.45 0.00 -0.78 -2.66 119.26 120.35 2dgx h ALA 610 Ca 0.25 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 54.92 2dgx h ALA 610 Cb 0.11 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 2dgx h ALA 610 CO -0.07 -0.22 -0.27 -0.89 0.00 0.00 0.00 179.25 177.80 2dgx n ILE 611 N -4.84 -0.31 -0.09 0.00 5.41 -1.08 -0.55 119.36 117.90 2dgx n ILE 611 Ca -0.08 1.60 -0.10 0.00 1.00 0.00 0.00 62.75 65.17 2dgx n ILE 611 Cb 0.30 -2.02 -0.02 0.00 -0.71 0.00 0.00 39.64 37.18 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 0.48 -0.38 7.39 0.00 -1.68 -2.58 103.07 106.29 2dgx h GLY 612 Ca 0.07 -0.25 0.33 0.00 0.00 0.00 0.00 47.33 47.48 2dgx h GLY 612 CO -0.43 0.24 0.79 0.00 0.00 0.00 0.00 176.54 177.14 2dgx h ALA 613 N 0.97 2.75 0.19 3.60 0.00 -0.46 0.41 119.26 126.72 2dgx h ALA 613 Ca 0.10 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2dgx h ALA 613 Cb 0.17 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2dgx h ALA 613 CO -0.01 -1.15 -0.09 0.28 0.00 0.00 0.00 179.25 178.29 2dgx h VAL 614 N 0.17 0.00 0.00 0.00 2.07 -0.43 0.20 116.25 118.26 2dgx h VAL 614 Ca 0.61 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 67.62 2dgx h VAL 614 Cb 2.02 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 2dgx h VAL 614 CO -0.16 0.00 0.10 0.78 0.02 0.00 0.00 177.57 178.31 2dgx h ASN 615 N -0.76 0.00 0.00 0.57 2.35 -1.17 0.30 115.58 116.87 2dgx h ASN 615 Ca -0.03 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.72 2dgx h ASN 615 Cb 0.19 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.56 2dgx h ASN 615 CO 0.04 0.00 -0.65 -1.20 -1.65 0.00 0.00 177.43 173.97 2dgx n SER 616 N -2.51 1.84 0.00 5.81 7.64 0.14 -4.24 113.62 122.30 2dgx n SER 616 Ca -0.02 0.56 0.05 0.00 1.01 0.00 0.00 58.87 60.47 2dgx n SER 616 Cb 0.14 -0.84 0.24 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 -4.57 0.00 -4.69 -3.43 4.77 0.71 -4.78 117.00 105.01 2dgx n LEU 617 Ca -0.09 0.37 -0.55 0.00 -0.03 0.00 0.00 56.01 55.71 2dgx n LEU 617 Cb 0.34 -0.37 -0.06 0.00 -2.33 0.00 0.00 43.42 41.00 2dgx n LEU 617 CO 0.13 -0.24 1.30 1.57 -1.33 0.00 0.00 177.39 178.82 2dgx n HIS 618 N -1.37 2.04 -2.57 -1.77 -0.00 0.10 0.20 115.22 111.85 2dgx n HIS 618 Ca 0.04 0.44 -0.16 0.00 0.46 0.00 0.00 57.72 58.51 2dgx n HIS 618 Cb 0.09 -2.48 0.01 0.00 -0.12 0.00 0.00 29.99 27.49 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 5.16 -2.48 -1.82 1.57 5.12 0.14 -4.91 116.66 119.44 2dgx n ARG 619 Ca 0.24 0.69 -0.43 0.00 -1.93 0.00 0.00 57.85 56.42 2dgx n ARG 619 Cb 0.17 -5.01 -0.03 0.00 -1.16 0.00 0.00 32.46 26.43 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 -2.88 1.52 -0.82 -1.55 5.04 0.13 -4.55 117.35 114.23 2dgx s TYR 620 Ca 0.12 0.62 -0.23 0.00 -2.44 0.00 0.00 57.07 55.15 2dgx s TYR 620 Cb -0.05 -4.03 -0.19 0.00 0.35 0.00 0.00 41.96 38.04 2dgx s TYR 620 CO 0.15 -3.39 2.41 1.17 -1.34 0.00 0.00 175.55 174.54 2dgx n LYS 621 N 8.60 0.41 -4.45 4.97 3.00 -1.26 -3.19 118.16 126.24 2dgx n LYS 621 Ca 0.26 -0.26 -0.24 0.00 -0.00 0.00 0.00 58.31 58.06 2dgx n LYS 621 Cb 0.46 -2.49 -0.10 0.00 0.00 0.00 0.00 35.03 32.90 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 9.18 2.42 0.00 3.15 1.01 -1.18 -5.02 121.20 130.76 2dgx s ILE 622 Ca 1.13 -2.31 0.00 0.00 0.00 0.00 0.00 60.65 59.47 2dgx s ILE 622 Cb -0.56 -2.25 0.00 0.00 0.01 0.00 0.00 42.46 39.66 2dgx s ILE 622 CO 0.33 -0.34 0.00 0.61 0.00 0.00 0.00 174.94 175.54 2dgx n GLY 623 N -0.40 1.81 0.00 6.18 0.00 -1.26 -1.03 105.19 110.48 2dgx n GLY 623 Ca -0.07 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 3.06 1.67 -3.74 1.61 7.64 -1.26 -5.04 113.62 117.55 2dgx n SER 624 Ca 0.00 -1.77 -0.13 0.00 1.01 0.00 0.00 58.87 57.98 2dgx n SER 624 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 2dgx n SER 624 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 2dgx s LYS 625 N -0.77 0.75 0.35 1.43 -2.85 -0.20 -5.04 119.74 113.42 2dgx s LYS 625 Ca 0.00 -0.31 -0.26 0.00 -1.00 0.00 0.00 55.97 54.40 2dgx s LYS 625 Cb 0.00 0.33 -0.09 0.00 -2.06 0.00 0.00 37.83 36.01 2dgx s LYS 625 CO 0.00 -0.23 1.05 0.15 0.10 0.00 0.00 175.35 176.42 2dgx s LYS 626 N -1.87 4.37 -0.19 1.78 3.01 -1.26 -3.11 119.74 122.47 2dgx s LYS 626 Ca -0.10 1.58 -0.10 0.00 -1.01 0.00 0.00 55.97 56.35 2dgx s LYS 626 Cb -0.03 -2.78 -0.05 0.00 -1.01 0.00 0.00 37.83 33.96 2dgx s LYS 626 CO 0.01 0.03 0.13 0.96 0.51 0.00 0.00 175.35 176.99 2dgx s ILE 627 N -1.49 5.42 -0.40 2.17 -4.36 -1.19 -4.62 121.20 116.73 2dgx s ILE 627 Ca 0.53 0.19 -0.17 0.00 -0.26 0.00 0.00 60.65 60.93 2dgx s ILE 627 Cb -0.25 -3.46 0.01 0.00 1.25 0.00 0.00 42.46 40.02 2dgx s ILE 627 CO 0.31 0.47 0.46 -0.76 0.24 0.00 0.00 174.94 175.66 2dgx s LEU 628 N 0.16 4.70 0.26 0.37 1.43 0.60 0.25 118.68 126.44 2dgx s LEU 628 Ca 0.09 -0.49 -0.07 0.00 -1.03 0.00 0.00 54.13 52.63 2dgx s LEU 628 Cb -0.11 -2.44 -0.06 0.00 0.03 0.00 0.00 46.19 43.60 2dgx s LEU 628 CO -0.01 -0.56 0.55 -0.69 0.23 0.00 0.00 176.35 175.87 2dgx s VAL 629 N 2.23 4.98 -0.29 -1.59 1.01 -1.26 -1.02 120.40 124.46 2dgx s VAL 629 Ca 0.14 0.26 -0.18 0.00 0.00 0.00 0.00 61.98 62.20 2dgx s VAL 629 Cb -0.16 -3.67 0.14 0.00 0.00 0.00 0.00 36.38 32.68 2dgx s VAL 629 CO 0.14 -0.20 0.98 -0.44 0.00 0.00 0.00 175.10 175.58 2dgx s SER 630 N -2.76 -0.52 1.01 3.32 0.01 0.48 -4.91 113.70 110.32 2dgx s SER 630 Ca 0.46 0.87 -0.12 0.00 1.31 0.00 0.00 55.95 58.46 2dgx s SER 630 Cb -0.11 1.12 0.19 0.00 0.21 0.00 0.00 66.02 67.44 2dgx s SER 630 CO 0.26 -0.14 1.08 -0.76 0.41 0.00 0.00 173.24 174.09 2dgx s LEU 631 N 1.05 1.62 0.18 2.44 1.43 -1.26 0.68 118.68 124.82 2dgx s LEU 631 Ca -0.06 1.35 0.03 0.00 -1.03 0.00 0.00 54.13 54.42 2dgx s LEU 631 Cb -0.04 -3.53 -0.05 0.00 0.03 0.00 0.00 46.19 42.60 2dgx s LEU 631 CO -0.13 -3.25 -0.03 0.00 0.23 0.00 0.00 176.35 173.17 2dgx s ALA 632 N -2.85 1.49 -0.48 4.21 0.00 -1.03 -4.62 121.76 118.47 2dgx s ALA 632 Ca 0.66 -1.60 -0.16 0.00 0.00 0.00 0.00 51.96 50.86 2dgx s ALA 632 Cb -0.20 0.38 0.08 0.00 0.00 0.00 0.00 23.12 23.38 2dgx s ALA 632 CO 0.59 -0.24 0.42 0.99 0.00 0.00 0.00 175.76 177.52 2dgx s THR 633 N -3.50 5.21 0.01 0.00 2.01 -1.26 -4.79 115.64 113.32 2dgx s THR 633 Ca 0.23 -1.06 -0.11 0.00 0.31 0.00 0.00 61.69 61.06 2dgx s THR 633 Cb 0.05 -4.15 -0.06 0.00 0.01 0.00 0.00 72.50 68.35 2dgx s THR 633 CO 0.04 -0.61 0.98 1.23 -0.69 0.00 0.00 174.62 175.57 2dgx h GLY 634 N 8.82 -0.41 -4.89 4.40 0.00 -1.97 -3.46 103.07 105.55 2dgx h GLY 634 Ca -0.28 0.15 -0.38 0.00 0.00 0.00 0.00 47.33 46.82 2dgx h GLY 634 CO 0.89 -0.15 -0.77 0.00 0.00 0.00 0.00 176.54 176.51 2dgx s ALA 635 N -3.83 0.87 -0.21 3.60 0.00 -1.26 -5.14 121.76 115.80 2dgx s ALA 635 Ca -0.06 -0.66 -0.06 0.00 0.00 0.00 0.00 51.96 51.18 2dgx s ALA 635 Cb 0.01 -0.12 -0.03 0.00 0.00 0.00 0.00 23.12 22.97 2dgx s ALA 635 CO 0.17 0.15 0.03 -1.12 0.00 0.00 0.00 175.76 174.99 2dgx s SER 636 N -0.96 5.08 0.00 0.00 0.01 -1.26 -4.95 113.70 111.62 2dgx s SER 636 Ca -0.01 -0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.12 2dgx s SER 636 Cb -0.07 -1.88 0.00 0.00 0.21 0.00 0.00 66.02 64.28 2dgx s SER 636 CO 0.01 0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.34 2dgx n GLY 637 N 4.22 -0.60 3.73 3.44 0.00 -1.26 -5.17 105.19 109.54 2dgx n GLY 637 Ca -0.17 0.44 -0.30 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 1.44 0.21 1.61 0.04 -1.26 -5.08 135.00 131.95 2dgx s PRO 638 Ca 0.00 0.88 -0.23 0.00 0.04 0.00 0.00 61.00 61.69 2dgx s PRO 638 Cb 0.00 -1.82 0.05 0.00 0.04 0.00 0.00 34.50 32.76 2dgx s PRO 638 CO 0.00 -2.13 0.77 -1.12 0.04 0.00 0.00 177.00 174.56 2dgx s SER 639 N -3.42 -0.30 -0.30 6.66 0.01 -1.26 -5.17 113.70 109.92 2dgx s SER 639 Ca 0.63 -0.40 -0.12 0.00 1.31 0.00 0.00 55.95 57.36 2dgx s SER 639 Cb -0.18 0.62 0.17 0.00 0.21 0.00 0.00 66.02 66.84 2dgx s SER 639 CO 0.57 -1.12 0.93 -0.55 0.41 0.00 0.00 173.24 173.48 2dgx s SER 640 N -2.86 -0.69 0.00 2.44 0.15 -1.26 -5.36 113.70 106.12 2dgx s SER 640 Ca 0.09 0.75 0.00 0.00 0.70 0.00 0.00 55.95 57.49 2dgx s SER 640 Cb -0.04 1.71 0.00 0.00 -1.71 0.00 0.00 66.02 65.98 2dgx s SER 640 CO 0.01 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 174.93