#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 -4.06 -4.73 1.61 2.88 -1.26 -4.89 113.62 103.17 2dgx n SER 547 Ca 0.00 -0.67 -0.42 0.00 -1.33 0.00 0.00 58.87 56.45 2dgx n SER 547 Cb 0.00 -4.60 -0.02 0.00 -0.75 0.00 0.00 64.21 58.84 2dgx n SER 547 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dgx s SER 548 N -3.75 6.41 -0.04 -3.46 0.15 -1.26 -4.93 113.70 106.82 2dgx s SER 548 Ca 0.36 2.87 -0.20 0.00 0.70 0.00 0.00 55.95 59.68 2dgx s SER 548 Cb -0.17 -2.61 -0.32 0.00 -1.71 0.00 0.00 66.02 61.21 2dgx s SER 548 CO 0.77 -0.92 0.86 1.23 1.20 0.00 0.00 173.24 176.38 2dgx h GLY 549 N 5.94 0.39 -6.91 9.45 0.00 -2.08 -3.45 103.07 106.39 2dgx h GLY 549 Ca -0.45 -0.99 -0.75 0.00 0.00 0.00 0.00 47.33 45.15 2dgx h GLY 549 CO 0.88 0.86 1.22 1.44 0.00 0.00 0.00 176.54 180.95 2dgx n SER 550 N -4.02 1.42 -4.62 0.19 7.64 -1.26 -4.75 113.62 108.22 2dgx n SER 550 Ca -0.16 0.71 -0.50 0.00 1.01 0.00 0.00 58.87 59.93 2dgx n SER 550 Cb 0.89 -1.04 -0.06 0.00 -1.01 0.00 0.00 64.21 63.00 2dgx n SER 550 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dgx n SER 551 N 7.52 2.94 -4.50 6.43 2.88 -1.26 -4.77 113.62 122.86 2dgx n SER 551 Ca 0.45 0.79 -0.59 0.00 -1.33 0.00 0.00 58.87 58.19 2dgx n SER 551 Cb 0.06 -1.32 -0.09 0.00 -0.75 0.00 0.00 64.21 62.10 2dgx n SER 551 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dgx n GLY 552 N 5.00 0.29 0.61 0.46 0.00 -1.26 -4.74 105.19 105.54 2dgx n GLY 552 Ca 0.28 1.01 0.00 0.00 0.00 0.00 0.00 46.02 47.32 2dgx n GLY 552 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2dgx n ASN 553 N 6.77 1.36 0.00 1.61 3.02 -1.26 -4.40 115.26 122.36 2dgx n ASN 553 Ca 0.41 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.96 2dgx n ASN 553 Cb 0.05 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.22 2dgx n ASN 553 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2dgx n GLY 554 N 2.57 1.17 3.23 7.41 0.00 -1.26 -4.81 105.19 113.51 2dgx n GLY 554 Ca 0.00 -0.84 -0.35 0.00 0.00 0.00 0.00 46.02 44.83 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 -3.09 2.79 -0.37 4.61 0.00 -1.21 -4.83 121.76 119.67 2dgx s ALA 555 Ca 0.00 -1.49 -0.12 0.00 0.00 0.00 0.00 51.96 50.34 2dgx s ALA 555 Cb 0.00 -1.82 0.01 0.00 0.00 0.00 0.00 23.12 21.31 2dgx s ALA 555 CO 0.00 -0.89 0.23 -0.51 0.00 0.00 0.00 175.76 174.60 2dgx s ASP 556 N 1.36 5.89 -0.50 0.00 1.01 -1.26 -0.23 116.67 122.93 2dgx s ASP 556 Ca 0.00 -0.78 -0.18 0.00 0.71 0.00 0.00 52.55 52.30 2dgx s ASP 556 Cb -0.17 -2.09 0.06 0.00 1.01 0.00 0.00 42.92 41.74 2dgx s ASP 556 CO -0.03 -0.35 0.57 -0.69 0.21 0.00 0.00 175.17 174.89 2dgx s VAL 557 N 1.64 4.96 -0.27 -1.27 1.01 0.40 -2.34 120.40 124.52 2dgx s VAL 557 Ca 0.04 -0.66 -0.29 0.00 0.00 0.00 0.00 61.98 61.08 2dgx s VAL 557 Cb -0.18 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 31.93 2dgx s VAL 557 CO 0.08 -0.76 1.22 -1.10 0.00 0.00 0.00 175.10 174.54 2dgx s GLN 558 N 2.39 4.04 -0.17 2.72 -0.21 0.26 -0.26 119.66 128.43 2dgx s GLN 558 Ca 0.12 1.30 -0.01 0.00 0.02 0.00 0.00 55.36 56.78 2dgx s GLN 558 Cb -0.21 -3.81 -0.01 0.00 1.00 0.00 0.00 33.01 29.99 2dgx s GLN 558 CO 0.10 -0.95 -0.10 0.08 -2.12 0.00 0.00 175.29 172.30 2dgx s VAL 559 N 3.94 3.09 0.33 1.09 1.01 0.51 -0.62 120.40 129.75 2dgx s VAL 559 Ca 0.52 -0.62 0.05 0.00 0.00 0.00 0.00 61.98 61.94 2dgx s VAL 559 Cb -0.16 -2.34 -0.07 0.00 0.00 0.00 0.00 36.38 33.81 2dgx s VAL 559 CO 0.18 0.49 0.02 -0.44 0.00 0.00 0.00 175.10 175.35 2dgx s SER 560 N 0.86 2.78 -0.86 3.32 0.01 -0.46 -0.60 113.70 118.74 2dgx s SER 560 Ca -0.03 -1.32 -0.06 0.00 1.31 0.00 0.00 55.95 55.85 2dgx s SER 560 Cb -0.15 -0.17 0.01 0.00 0.21 0.00 0.00 66.02 65.92 2dgx s SER 560 CO 0.00 -0.50 0.74 -3.20 0.41 0.00 0.00 173.24 170.69 2dgx n ASN 561 N -0.71 -4.77 -4.61 2.44 5.15 -1.24 -0.28 115.26 111.23 2dgx n ASN 561 Ca -0.04 -0.34 -0.40 0.00 -0.60 0.00 0.00 54.58 53.21 2dgx n ASN 561 Cb 0.66 -3.36 -0.08 0.00 -0.53 0.00 0.00 39.78 36.47 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 -3.19 5.08 -0.44 -1.44 1.01 -1.17 -3.98 121.20 117.07 2dgx s ILE 562 Ca 0.37 0.82 -0.45 0.00 0.00 0.00 0.00 60.65 61.39 2dgx s ILE 562 Cb -0.16 -3.81 -0.19 0.00 0.01 0.00 0.00 42.46 38.31 2dgx s ILE 562 CO 0.45 0.09 1.68 -0.67 0.00 0.00 0.00 174.94 176.49 2dgx n ASP 563 N 5.51 1.54 0.05 3.58 2.03 -1.26 -4.64 116.55 123.36 2dgx n ASP 563 Ca -0.05 1.12 -0.20 0.00 0.52 0.00 0.00 54.79 56.18 2dgx n ASP 563 Cb 0.50 -0.96 -0.12 0.00 -0.72 0.00 0.00 41.12 39.82 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 5.94 0.86 -0.69 -0.67 -0.00 -1.92 -3.31 116.97 117.18 2dgx h TYR 564 Ca -0.43 -0.50 0.16 0.00 -0.00 0.00 0.00 58.73 57.95 2dgx h TYR 564 Cb 1.36 -0.08 -0.13 0.00 -0.00 0.00 0.00 36.73 37.87 2dgx h TYR 564 CO 0.71 1.34 -0.11 0.54 -0.00 0.00 0.00 178.16 180.64 2dgx n ARG 565 N -3.97 -0.06 -1.86 0.10 1.74 -1.26 -4.31 116.66 107.03 2dgx n ARG 565 Ca -0.12 1.06 -0.40 0.00 -0.77 0.00 0.00 57.85 57.62 2dgx n ARG 565 Cb 0.84 -1.61 0.01 0.00 -1.02 0.00 0.00 32.46 30.68 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 -10.10 4.11 0.62 0.55 1.43 -1.25 -4.96 118.68 109.08 2dgx s LEU 566 Ca -0.10 2.84 -0.18 0.00 -1.03 0.00 0.00 54.13 55.66 2dgx s LEU 566 Cb 0.19 -3.96 -0.02 0.00 0.03 0.00 0.00 46.19 42.43 2dgx s LEU 566 CO 0.54 -1.13 1.20 -0.44 0.23 0.00 0.00 176.35 176.75 2dgx s SER 567 N -0.60 5.04 0.24 2.29 0.01 -1.26 -4.80 113.70 114.61 2dgx s SER 567 Ca 0.61 2.36 -0.05 0.00 1.31 0.00 0.00 55.95 60.18 2dgx s SER 567 Cb -0.42 -2.59 0.42 0.00 0.21 0.00 0.00 66.02 63.63 2dgx s SER 567 CO 0.54 -1.69 1.76 0.03 0.41 0.00 0.00 173.24 174.28 2dgx h ARG 568 N 0.66 0.53 -0.34 12.44 3.08 -1.93 -0.34 114.38 128.49 2dgx h ARG 568 Ca -0.50 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 59.48 2dgx h ARG 568 Cb 1.29 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 31.21 2dgx h ARG 568 CO 0.54 0.35 0.07 1.57 -1.07 0.00 0.00 179.97 181.44 2dgx h LYS 569 N 0.55 0.55 -0.89 0.04 2.10 -1.99 -0.24 116.57 116.68 2dgx h LYS 569 Ca 0.39 -0.14 0.04 0.00 -2.00 0.00 0.00 60.65 58.95 2dgx h LYS 569 Cb 0.52 -0.07 -0.06 0.00 -0.90 0.00 0.00 32.23 31.72 2dgx h LYS 569 CO -0.34 0.62 0.57 1.49 -2.00 0.00 0.00 179.45 179.79 2dgx h GLU 570 N 0.40 1.06 0.11 0.07 4.57 -1.65 -2.63 114.58 116.51 2dgx h GLU 570 Ca 0.11 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.22 2dgx h GLU 570 Cb 0.32 -0.24 0.00 0.00 -0.16 0.00 0.00 28.75 28.67 2dgx h GLU 570 CO 0.00 0.70 -0.05 -0.07 -1.18 0.00 0.00 179.01 178.41 2dgx h LEU 571 N 1.09 -0.13 -0.83 1.64 3.38 -0.92 -2.52 115.31 117.02 2dgx h LEU 571 Ca 0.37 -0.38 0.08 0.00 0.09 0.00 0.00 57.88 58.04 2dgx h LEU 571 Cb 0.05 0.03 -0.11 0.00 0.09 0.00 0.00 40.66 40.72 2dgx h LEU 571 CO -0.13 0.35 -0.56 1.56 0.09 0.00 0.00 178.44 179.75 2dgx h GLN 572 N -0.65 -0.10 -0.12 1.13 1.08 -0.85 0.16 115.11 115.76 2dgx h GLN 572 Ca -0.02 0.01 0.02 0.00 -1.45 0.00 0.00 58.65 57.21 2dgx h GLN 572 Cb 0.50 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.94 2dgx h GLN 572 CO 0.03 -0.07 -0.01 -0.56 -0.95 0.00 0.00 178.83 177.26 2dgx h GLN 573 N -0.11 0.02 -0.05 1.46 3.07 -1.56 -2.06 115.11 115.88 2dgx h GLN 573 Ca 0.15 -0.00 0.02 0.00 0.09 0.00 0.00 58.65 58.91 2dgx h GLN 573 Cb 0.48 -0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.00 2dgx h GLN 573 CO -0.85 0.01 -0.31 -0.07 0.09 0.00 0.00 178.83 177.71 2dgx h LEU 574 N 0.02 -0.97 -0.57 0.06 3.38 -0.57 0.14 115.31 116.80 2dgx h LEU 574 Ca 0.06 0.11 0.11 0.00 0.09 0.00 0.00 57.88 58.25 2dgx h LEU 574 Cb 0.08 0.37 -0.11 0.00 0.09 0.00 0.00 40.66 41.09 2dgx h LEU 574 CO -0.11 -0.28 -0.28 -0.07 0.09 0.00 0.00 178.44 177.79 2dgx h LEU 575 N -0.35 -0.98 -0.68 1.67 3.38 -0.71 0.87 115.31 118.51 2dgx h LEU 575 Ca 0.01 0.21 0.11 0.00 0.09 0.00 0.00 57.88 58.31 2dgx h LEU 575 Cb 0.40 0.51 -0.08 0.00 0.09 0.00 0.00 40.66 41.58 2dgx h LEU 575 CO -0.23 -0.28 0.27 -0.61 0.09 0.00 0.00 178.44 177.67 2dgx h GLN 576 N -0.13 0.43 0.25 1.13 4.15 -0.83 -0.98 115.11 119.13 2dgx h GLN 576 Ca 0.25 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.64 2dgx h GLN 576 Cb 0.53 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.11 2dgx h GLN 576 CO -0.65 0.28 -0.23 0.93 -1.93 0.00 0.00 178.83 177.23 2dgx h GLU 577 N 0.44 -0.49 0.34 1.69 4.39 0.16 0.48 114.58 121.60 2dgx h GLU 577 Ca 0.35 0.03 -0.01 0.00 0.34 0.00 0.00 59.36 60.08 2dgx h GLU 577 Cb 0.47 0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.21 2dgx h GLU 577 CO -0.34 -0.33 -0.39 0.00 -1.16 0.00 0.00 179.01 176.79 2dgx h ALA 578 N 0.17 -1.04 -0.63 3.43 0.00 -0.64 -1.22 119.26 119.33 2dgx h ALA 578 Ca -0.01 -0.14 0.11 0.00 0.00 0.00 0.00 54.91 54.87 2dgx h ALA 578 Cb 0.47 0.65 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 2dgx h ALA 578 CO -0.04 -1.07 0.42 0.74 0.00 0.00 0.00 179.25 179.30 2dgx h PHE 579 N -0.74 0.44 -0.86 0.00 0.04 -1.18 -1.02 116.94 113.62 2dgx h PHE 579 Ca -0.04 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.73 2dgx h PHE 579 Cb 0.65 -0.14 -0.04 0.00 2.20 0.00 0.00 35.95 38.62 2dgx h PHE 579 CO -0.24 0.20 0.51 0.00 -0.60 0.00 0.00 178.31 178.18 2dgx h ALA 580 N 1.69 1.10 -0.25 2.45 0.00 0.64 -1.56 119.26 123.32 2dgx h ALA 580 Ca 0.29 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.17 2dgx h ALA 580 Cb 0.60 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2dgx h ALA 580 CO -0.08 0.57 0.21 0.00 0.00 0.00 0.00 179.25 179.95 2dgx h ARG 581 N 1.18 0.00 0.00 0.00 3.08 0.00 -3.13 114.38 115.51 2dgx h ARG 581 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.36 2dgx h ARG 581 Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.02 2dgx h ARG 581 CO -0.06 0.00 -0.06 0.45 -1.07 0.00 0.00 179.97 179.23 2dgx h HIS 582 N 0.00 0.00 0.00 3.04 3.86 -1.33 -3.50 115.15 117.22 2dgx h HIS 582 Ca 0.12 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.33 2dgx h HIS 582 Cb 0.54 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.01 2dgx h HIS 582 CO 0.00 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.20 2dgx n GLY 583 N 1.84 3.01 2.91 2.45 0.00 -0.78 -5.06 105.19 109.56 2dgx n GLY 583 Ca -0.01 -0.24 -0.30 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 3.69 1.49 0.15 1.61 2.47 -1.26 -4.59 119.74 123.30 2dgx s LYS 584 Ca 0.00 -0.91 -0.31 0.00 -1.56 0.00 0.00 55.97 53.19 2dgx s LYS 584 Cb 0.00 -2.52 -0.09 0.00 -1.46 0.00 0.00 37.83 33.76 2dgx s LYS 584 CO 0.00 -0.60 1.44 0.08 0.16 0.00 0.00 175.35 176.43 2dgx s VAL 585 N 1.46 3.02 -0.21 4.02 1.01 -1.26 -1.47 120.40 126.97 2dgx s VAL 585 Ca -0.05 0.75 -0.17 0.00 0.00 0.00 0.00 61.98 62.51 2dgx s VAL 585 Cb -0.19 -3.48 -0.12 0.00 0.00 0.00 0.00 36.38 32.59 2dgx s VAL 585 CO -0.06 0.07 -0.08 1.17 0.00 0.00 0.00 175.10 176.20 2dgx n LYS 586 N 3.70 0.54 -3.80 2.72 3.00 0.11 -4.79 118.16 119.65 2dgx n LYS 586 Ca 0.11 0.45 -0.10 0.00 -0.00 0.00 0.00 58.31 58.78 2dgx n LYS 586 Cb 0.41 -1.64 -0.05 0.00 0.00 0.00 0.00 35.03 33.75 2dgx n LYS 586 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 2dgx s SER 587 N -6.65 -0.14 -0.16 3.14 0.01 -1.02 -5.00 113.70 103.88 2dgx s SER 587 Ca -0.28 -0.59 -0.03 0.00 1.31 0.00 0.00 55.95 56.36 2dgx s SER 587 Cb 0.07 0.51 0.05 0.00 0.21 0.00 0.00 66.02 66.86 2dgx s SER 587 CO 0.46 -0.96 0.03 -0.69 0.41 0.00 0.00 173.24 172.50 2dgx s VAL 588 N -3.89 0.41 0.04 3.43 1.01 -1.26 -1.45 120.40 118.68 2dgx s VAL 588 Ca 0.11 -0.34 0.02 0.00 0.00 0.00 0.00 61.98 61.77 2dgx s VAL 588 Cb 0.01 -0.85 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 2dgx s VAL 588 CO -0.03 -0.10 0.03 -1.61 0.00 0.00 0.00 175.10 173.38 2dgx s GLU 589 N 1.92 2.77 0.13 2.72 2.02 -0.42 -5.00 118.70 122.84 2dgx s GLU 589 Ca 0.01 -0.67 0.10 0.00 0.02 0.00 0.00 54.97 54.43 2dgx s GLU 589 Cb -0.16 -2.67 -0.04 0.00 0.10 0.00 0.00 34.13 31.36 2dgx s GLU 589 CO -0.07 0.59 -0.25 -0.51 0.02 0.00 0.00 175.26 175.04 2dgx s LEU 590 N -1.95 2.32 0.32 1.80 1.43 -1.26 -1.67 118.68 119.68 2dgx s LEU 590 Ca 0.24 -0.74 -0.18 0.00 -1.03 0.00 0.00 54.13 52.42 2dgx s LEU 590 Cb -0.12 -1.13 -0.09 0.00 0.03 0.00 0.00 46.19 44.88 2dgx s LEU 590 CO 0.15 0.14 0.78 -0.94 0.23 0.00 0.00 176.35 176.72 2dgx s SER 591 N -2.06 6.89 0.00 2.29 1.04 -0.58 -4.88 113.70 116.39 2dgx s SER 591 Ca 0.13 1.41 0.15 0.00 0.48 0.00 0.00 55.95 58.11 2dgx s SER 591 Cb -0.10 -2.42 0.75 0.00 0.10 0.00 0.00 66.02 64.35 2dgx s SER 591 CO 0.06 -0.18 1.40 -0.81 0.98 0.00 0.00 173.24 174.69 2dgx n PRO 592 N -0.14 0.22 -2.43 4.02 -0.04 -1.26 -4.72 135.00 130.64 2dgx n PRO 592 Ca 0.03 0.14 -0.43 0.00 -0.04 0.00 0.00 63.50 63.20 2dgx n PRO 592 Cb 0.53 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.46 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 -2.55 3.01 -0.48 0.54 3.76 -1.26 -4.92 115.29 113.39 2dgx s HIS 593 Ca 0.14 1.10 0.03 0.00 -0.15 0.00 0.00 55.06 56.18 2dgx s HIS 593 Cb 0.10 -3.47 0.53 0.00 1.11 0.00 0.00 32.58 30.85 2dgx s HIS 593 CO 0.22 -1.55 1.78 0.25 -0.85 0.00 0.00 174.74 174.58 2dgx n THR 594 N 4.98 3.14 -4.27 1.30 -2.24 -1.26 -4.47 114.28 111.47 2dgx n THR 594 Ca 0.12 -2.76 -0.19 0.00 -2.27 0.00 0.00 64.05 58.95 2dgx n THR 594 Cb 0.45 -0.77 -0.08 0.00 -2.10 0.00 0.00 70.33 67.83 2dgx n THR 594 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2dgx n ASP 595 N -1.01 -0.77 -0.44 3.42 8.00 -1.26 -4.99 116.55 119.49 2dgx n ASP 595 Ca 0.54 -3.20 0.40 0.00 0.71 0.00 0.00 54.79 53.24 2dgx n ASP 595 Cb 1.09 1.76 0.63 0.00 -0.02 0.00 0.00 41.12 44.58 2dgx n ASP 595 CO 0.00 0.00 0.00 0.10 -0.39 0.00 0.00 177.20 176.91 2dgx h TYR 596 N 2.08 0.00 -0.31 1.24 -0.00 -1.93 0.33 116.97 118.39 2dgx h TYR 596 Ca -0.24 0.00 -0.21 0.00 -0.00 0.00 0.00 58.73 58.28 2dgx h TYR 596 Cb 1.21 0.00 -0.08 0.00 -0.00 0.00 0.00 36.73 37.86 2dgx h TYR 596 CO 0.00 0.00 0.17 1.04 -0.00 0.00 0.00 178.16 179.37 2dgx n GLN 597 N -3.59 1.59 -3.23 0.10 6.02 -1.26 -4.74 117.38 112.26 2dgx n GLN 597 Ca 0.33 -1.00 -0.40 0.00 -0.01 0.00 0.00 57.00 55.91 2dgx n GLN 597 Cb 1.75 -1.48 -0.08 0.00 1.02 0.00 0.00 30.24 31.45 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 -0.99 4.16 0.53 1.08 2.96 0.12 -4.68 118.68 121.86 2dgx s LEU 598 Ca 0.26 0.31 0.02 0.00 -0.22 0.00 0.00 54.13 54.50 2dgx s LEU 598 Cb 0.17 -2.65 0.01 0.00 0.50 0.00 0.00 46.19 44.23 2dgx s LEU 598 CO -0.02 -0.38 0.15 -0.54 -1.32 0.00 0.00 176.35 174.24 2dgx s LYS 599 N 2.38 2.23 0.01 1.98 1.02 -1.26 -3.03 119.74 123.06 2dgx s LYS 599 Ca 0.21 -2.29 -0.28 0.00 0.02 0.00 0.00 55.97 53.62 2dgx s LYS 599 Cb -0.15 -1.73 0.10 0.00 -0.52 0.00 0.00 37.83 35.53 2dgx s LYS 599 CO 0.11 -0.49 0.86 0.00 -0.92 0.00 0.00 175.35 174.92 2dgx s ALA 600 N -2.86 -1.80 -0.15 5.17 0.00 0.23 -1.53 121.76 120.83 2dgx s ALA 600 Ca 0.14 0.95 -0.00 0.00 0.00 0.00 0.00 51.96 53.05 2dgx s ALA 600 Cb -0.00 0.46 0.03 0.00 0.00 0.00 0.00 23.12 23.61 2dgx s ALA 600 CO 0.08 -0.70 -0.09 0.08 0.00 0.00 0.00 175.76 175.13 2dgx s VAL 601 N -3.18 1.29 -0.40 0.00 1.01 -0.67 -0.36 120.40 118.09 2dgx s VAL 601 Ca 0.05 -0.56 -0.12 0.00 0.00 0.00 0.00 61.98 61.34 2dgx s VAL 601 Cb -0.01 -1.32 0.04 0.00 0.00 0.00 0.00 36.38 35.09 2dgx s VAL 601 CO -0.09 0.32 0.26 -0.69 0.00 0.00 0.00 175.10 174.89 2dgx s VAL 602 N 1.58 4.76 0.04 2.92 1.01 0.64 -1.30 120.40 130.04 2dgx s VAL 602 Ca 0.03 -0.92 -0.26 0.00 0.00 0.00 0.00 61.98 60.83 2dgx s VAL 602 Cb -0.14 -3.72 -0.05 0.00 0.00 0.00 0.00 36.38 32.48 2dgx s VAL 602 CO -0.09 -0.33 0.82 -1.58 0.00 0.00 0.00 175.10 173.92 2dgx s GLN 603 N 1.57 4.53 0.13 2.72 0.74 -0.53 -0.45 119.66 128.37 2dgx s GLN 603 Ca 0.03 1.16 0.07 0.00 0.05 0.00 0.00 55.36 56.66 2dgx s GLN 603 Cb -0.20 -3.39 -0.04 0.00 1.10 0.00 0.00 33.01 30.48 2dgx s GLN 603 CO 0.07 0.20 -0.05 -1.64 -0.55 0.00 0.00 175.29 173.31 2dgx s MET 604 N 0.21 2.29 0.02 1.67 -1.94 0.68 0.09 119.30 122.31 2dgx s MET 604 Ca 0.42 -1.02 -0.25 0.00 -1.71 0.00 0.00 55.69 53.12 2dgx s MET 604 Cb -0.21 -2.36 -0.18 0.00 2.01 0.00 0.00 34.83 34.10 2dgx s MET 604 CO 0.24 0.50 1.37 0.93 -0.01 0.00 0.00 175.02 178.05 2dgx h GLU 605 N 3.27 -0.19 -5.84 2.03 5.08 -1.57 -3.19 114.58 114.18 2dgx h GLU 605 Ca -0.48 0.01 -0.66 0.00 -1.00 0.00 0.00 59.36 57.23 2dgx h GLU 605 Cb 1.18 0.04 -0.08 0.00 0.50 0.00 0.00 28.75 30.39 2dgx h GLU 605 CO 0.56 0.12 -0.53 1.21 -1.00 0.00 0.00 179.01 179.36 2dgx s ASN 606 N -5.29 6.02 0.05 1.42 2.47 -1.26 -4.69 114.94 113.65 2dgx s ASN 606 Ca -0.15 0.30 -0.34 0.00 0.42 0.00 0.00 52.86 53.10 2dgx s ASN 606 Cb 0.03 -1.84 -0.19 0.00 -1.45 0.00 0.00 41.25 37.80 2dgx s ASN 606 CO 0.62 0.33 1.44 0.25 -3.72 0.00 0.00 177.10 176.02 2dgx h LEU 607 N 4.45 -0.97 -0.95 3.21 7.12 -1.91 -2.98 115.31 123.28 2dgx h LEU 607 Ca -0.51 0.03 0.18 0.00 0.13 0.00 0.00 57.88 57.70 2dgx h LEU 607 Cb 1.20 0.25 -0.10 0.00 -0.53 0.00 0.00 40.66 41.48 2dgx h LEU 607 CO 0.62 -0.64 0.54 1.56 -0.13 0.00 0.00 178.44 180.39 2dgx h GLN 608 N -1.23 0.68 -0.93 1.25 4.20 -1.99 0.18 115.11 117.25 2dgx h GLN 608 Ca -0.12 -0.04 0.23 0.00 0.06 0.00 0.00 58.65 58.78 2dgx h GLN 608 Cb 0.88 -0.15 -0.06 0.00 0.30 0.00 0.00 27.48 28.45 2dgx h GLN 608 CO 0.19 0.45 0.63 -0.44 -0.67 0.00 0.00 178.83 178.99 2dgx h ASP 609 N 0.70 0.30 -0.01 1.46 5.19 -1.94 -1.23 116.42 120.89 2dgx h ASP 609 Ca 0.54 0.04 -0.03 0.00 -0.62 0.00 0.00 57.03 56.97 2dgx h ASP 609 Cb 0.84 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.33 2dgx h ASP 609 CO -0.39 0.10 -0.10 0.00 -3.12 0.00 0.00 179.24 175.74 2dgx h ALA 610 N 1.59 0.02 -0.39 3.45 0.00 -0.57 -2.97 119.26 120.40 2dgx h ALA 610 Ca 0.48 -0.40 0.03 0.00 0.00 0.00 0.00 54.91 55.03 2dgx h ALA 610 Cb 1.39 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.14 2dgx h ALA 610 CO -0.15 -0.04 -0.23 -0.89 0.00 0.00 0.00 179.25 177.94 2dgx n ILE 611 N -4.65 -0.26 -0.00 0.00 5.41 -0.47 -0.56 119.36 118.83 2dgx n ILE 611 Ca -0.09 1.59 -0.11 0.00 1.00 0.00 0.00 62.75 65.14 2dgx n ILE 611 Cb 0.41 -2.03 -0.06 0.00 -0.71 0.00 0.00 39.64 37.25 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 0.13 -0.64 7.39 0.00 -1.68 -2.35 103.07 105.92 2dgx h GLY 612 Ca 0.06 -0.05 0.37 0.00 0.00 0.00 0.00 47.33 47.70 2dgx h GLY 612 CO -0.36 0.05 0.87 0.00 0.00 0.00 0.00 176.54 177.10 2dgx h ALA 613 N 1.00 2.87 0.09 3.60 0.00 -0.86 0.49 119.26 126.45 2dgx h ALA 613 Ca 0.03 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2dgx h ALA 613 Cb 0.03 0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2dgx h ALA 613 CO -0.01 -1.32 -0.04 0.28 0.00 0.00 0.00 179.25 178.16 2dgx h VAL 614 N 0.13 0.00 0.00 0.00 2.07 -0.30 0.16 116.25 118.32 2dgx h VAL 614 Ca 0.67 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.95 2dgx h VAL 614 Cb 2.28 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 32.05 2dgx h VAL 614 CO -0.18 0.00 0.15 0.78 0.02 0.00 0.00 177.57 178.35 2dgx h ASN 615 N -0.37 0.00 0.00 0.57 2.35 -1.14 0.53 115.58 117.53 2dgx h ASN 615 Ca -0.01 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 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 -0.61 -1.20 -1.65 0.00 0.00 177.43 173.99 2dgx n SER 616 N -2.33 1.83 0.25 5.81 7.64 0.17 -4.30 113.62 122.69 2dgx n SER 616 Ca -0.01 0.58 0.17 0.00 1.01 0.00 0.00 58.87 60.61 2dgx n SER 616 Cb 0.19 -0.85 0.80 0.00 -1.01 0.00 0.00 64.21 63.34 2dgx n SER 616 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2dgx h LEU 617 N -1.00 0.00 -9.01 -3.43 3.38 -0.32 -3.45 115.31 101.47 2dgx h LEU 617 Ca -0.00 0.00 -0.84 0.00 0.09 0.00 0.00 57.88 57.13 2dgx h LEU 617 Cb 0.61 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.39 2dgx h LEU 617 CO -0.00 0.00 0.46 1.57 0.09 0.00 0.00 178.44 180.56 2dgx n HIS 618 N -2.81 1.36 -3.00 1.13 -0.00 0.18 0.11 115.22 112.19 2dgx n HIS 618 Ca -0.00 1.09 -0.20 0.00 0.46 0.00 0.00 57.72 59.06 2dgx n HIS 618 Cb 0.18 -2.19 0.04 0.00 -0.12 0.00 0.00 29.99 27.90 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 3.10 -4.69 -2.21 1.57 5.12 0.38 -4.92 116.66 115.01 2dgx n ARG 619 Ca 0.27 0.80 -0.43 0.00 -1.93 0.00 0.00 57.85 56.56 2dgx n ARG 619 Cb 0.00 -5.46 -0.02 0.00 -1.16 0.00 0.00 32.46 25.81 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 2.34 -0.62 -1.55 5.04 0.30 -4.56 117.35 115.17 2dgx s TYR 620 Ca 0.30 0.63 -0.27 0.00 -2.44 0.00 0.00 57.07 55.28 2dgx s TYR 620 Cb -0.13 -3.84 -0.11 0.00 0.35 0.00 0.00 41.96 38.23 2dgx s TYR 620 CO 0.37 -2.66 2.49 1.17 -1.34 0.00 0.00 175.55 175.57 2dgx n LYS 621 N 7.23 0.77 -4.34 4.97 0.00 -1.26 -2.57 118.16 122.96 2dgx n LYS 621 Ca 0.17 -0.02 -0.19 0.00 0.00 0.00 0.00 58.31 58.26 2dgx n LYS 621 Cb 0.45 -2.97 -0.10 0.00 0.00 0.00 0.00 35.03 32.41 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 11.46 1.75 0.00 3.15 1.01 -1.23 -5.01 121.20 132.34 2dgx s ILE 622 Ca 1.07 -2.14 0.00 0.00 0.00 0.00 0.00 60.65 59.58 2dgx s ILE 622 Cb -0.44 -1.99 0.00 0.00 0.01 0.00 0.00 42.46 40.04 2dgx s ILE 622 CO 0.32 -0.54 0.00 0.61 0.00 0.00 0.00 174.94 175.33 2dgx n GLY 623 N -0.23 1.80 0.01 6.18 0.00 -1.26 -1.02 105.19 110.67 2dgx n GLY 623 Ca -0.09 0.47 0.01 0.00 0.00 0.00 0.00 46.02 46.40 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 3.06 1.73 -3.68 1.61 2.88 -1.26 -5.03 113.62 112.94 2dgx n SER 624 Ca 0.00 -1.92 -0.14 0.00 -1.33 0.00 0.00 58.87 55.47 2dgx n SER 624 Cb 0.00 -0.02 -0.08 0.00 -0.75 0.00 0.00 64.21 63.35 2dgx n SER 624 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 2dgx s LYS 625 N -0.96 0.69 0.44 -1.46 -2.85 -0.18 -5.04 119.74 110.38 2dgx s LYS 625 Ca 0.02 0.44 -0.24 0.00 -1.00 0.00 0.00 55.97 55.18 2dgx s LYS 625 Cb 0.01 0.33 -0.08 0.00 -2.06 0.00 0.00 37.83 36.04 2dgx s LYS 625 CO 0.00 -0.14 1.26 0.15 0.10 0.00 0.00 175.35 176.72 2dgx s LYS 626 N -0.32 3.81 0.02 1.78 1.02 -1.26 -3.47 119.74 121.31 2dgx s LYS 626 Ca -0.05 2.03 -0.04 0.00 0.02 0.00 0.00 55.97 57.93 2dgx s LYS 626 Cb -0.03 -2.58 -0.04 0.00 -0.52 0.00 0.00 37.83 34.65 2dgx s LYS 626 CO 0.03 -0.58 0.23 0.96 -0.92 0.00 0.00 175.35 175.06 2dgx s ILE 627 N -1.36 5.37 -0.36 2.17 -4.36 -1.06 -4.67 121.20 116.92 2dgx s ILE 627 Ca 0.61 -0.09 -0.06 0.00 -0.26 0.00 0.00 60.65 60.85 2dgx s ILE 627 Cb -0.35 -3.57 0.06 0.00 1.25 0.00 0.00 42.46 39.86 2dgx s ILE 627 CO 0.44 0.29 0.15 -0.76 0.24 0.00 0.00 174.94 175.29 2dgx s LEU 628 N -2.03 4.62 0.33 0.37 1.43 0.62 0.14 118.68 124.17 2dgx s LEU 628 Ca 0.29 -1.39 -0.14 0.00 -1.03 0.00 0.00 54.13 51.86 2dgx s LEU 628 Cb -0.13 -1.87 -0.08 0.00 0.03 0.00 0.00 46.19 44.14 2dgx s LEU 628 CO 0.20 -0.41 0.72 -0.69 0.23 0.00 0.00 176.35 176.41 2dgx s VAL 629 N 1.35 4.72 -0.27 -1.59 1.01 -1.26 -1.36 120.40 123.00 2dgx s VAL 629 Ca 0.01 0.85 -0.26 0.00 0.00 0.00 0.00 61.98 62.58 2dgx s VAL 629 Cb -0.21 -3.63 0.11 0.00 0.00 0.00 0.00 36.38 32.65 2dgx s VAL 629 CO 0.01 -0.23 0.98 -0.44 0.00 0.00 0.00 175.10 175.42 2dgx s SER 630 N -2.43 -0.49 0.83 3.32 0.01 0.21 -4.87 113.70 110.28 2dgx s SER 630 Ca 0.53 0.91 -0.12 0.00 1.31 0.00 0.00 55.95 58.59 2dgx s SER 630 Cb -0.10 0.91 0.09 0.00 0.21 0.00 0.00 66.02 67.13 2dgx s SER 630 CO 0.20 -0.19 1.11 -0.76 0.41 0.00 0.00 173.24 174.01 2dgx s LEU 631 N 0.12 2.44 0.07 2.44 1.43 -1.26 0.91 118.68 124.82 2dgx s LEU 631 Ca 0.02 1.24 0.02 0.00 -1.03 0.00 0.00 54.13 54.38 2dgx s LEU 631 Cb -0.05 -3.78 -0.03 0.00 0.03 0.00 0.00 46.19 42.37 2dgx s LEU 631 CO -0.04 -2.15 -0.07 0.00 0.23 0.00 0.00 176.35 174.32 2dgx s ALA 632 N -3.17 0.73 0.20 4.21 0.00 -0.99 -4.66 121.76 118.09 2dgx s ALA 632 Ca 0.62 -1.02 -0.32 0.00 0.00 0.00 0.00 51.96 51.23 2dgx s ALA 632 Cb -0.15 0.10 -0.14 0.00 0.00 0.00 0.00 23.12 22.94 2dgx s ALA 632 CO 0.54 -0.12 1.44 -2.37 0.00 0.00 0.00 175.76 175.25 2dgx n THR 633 N 0.79 0.59 0.00 0.00 5.66 -1.26 -4.68 114.28 115.38 2dgx n THR 633 Ca -0.18 -0.15 0.00 0.00 -3.05 0.00 0.00 64.05 60.67 2dgx n THR 633 Cb 0.57 -1.42 0.00 0.00 -1.55 0.00 0.00 70.33 67.94 2dgx n THR 633 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2dgx n GLY 634 N 2.56 0.83 3.58 1.09 0.00 -1.26 -4.88 105.19 107.11 2dgx n GLY 634 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.08 2.82 0.86 4.61 0.00 -1.26 -4.67 121.76 122.04 2dgx s ALA 635 Ca 0.00 -0.68 -0.15 0.00 0.00 0.00 0.00 51.96 51.13 2dgx s ALA 635 Cb 0.00 -4.10 -0.04 0.00 0.00 0.00 0.00 23.12 18.98 2dgx s ALA 635 CO 0.00 -2.92 0.13 0.45 0.00 0.00 0.00 175.76 173.42 2dgx n SER 636 N 9.53 -2.84 -4.57 0.00 2.88 -1.26 -4.83 113.62 112.53 2dgx n SER 636 Ca 0.12 0.39 -0.40 0.00 -1.33 0.00 0.00 58.87 57.65 2dgx n SER 636 Cb 0.49 -1.08 0.02 0.00 -0.75 0.00 0.00 64.21 62.89 2dgx n SER 636 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dgx n GLY 637 N 2.07 -0.60 0.07 0.46 0.00 -1.26 -4.93 105.19 100.99 2dgx n GLY 637 Ca 0.06 0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.98 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 1.04 0.05 -6.24 1.61 0.13 -1.97 -3.48 132.00 123.13 2dgx h PRO 638 Ca -0.45 -0.03 -0.46 0.00 -0.87 0.00 0.00 66.00 64.19 2dgx h PRO 638 Cb 1.36 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.48 2dgx h PRO 638 CO 0.53 0.52 -0.76 0.43 -0.23 0.00 0.00 178.00 178.50 2dgx n SER 639 N -4.81 -4.49 -2.90 1.44 7.64 -1.26 -1.33 113.62 107.90 2dgx n SER 639 Ca -0.08 -0.77 -0.17 0.00 1.01 0.00 0.00 58.87 58.86 2dgx n SER 639 Cb 0.27 -4.00 0.06 0.00 -1.01 0.00 0.00 64.21 59.53 2dgx n SER 639 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dgx n SER 640 N -2.88 -4.65 0.00 6.43 7.64 -1.26 -5.34 113.62 113.56 2dgx n SER 640 Ca -0.00 -0.43 0.00 0.00 1.01 0.00 0.00 58.87 59.44 2dgx n SER 640 Cb 0.55 -4.05 0.00 0.00 -1.01 0.00 0.00 64.21 59.70 2dgx n SER 640 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64