#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 -0.87 0.04 1.61 0.01 -1.26 -5.12 113.70 108.11 2dgx s SER 547 Ca 0.00 1.43 -0.01 0.00 1.31 0.00 0.00 55.95 58.68 2dgx s SER 547 Cb 0.00 1.32 -0.03 0.00 0.21 0.00 0.00 66.02 67.52 2dgx s SER 547 CO 0.00 -0.23 -0.02 -0.55 0.41 0.00 0.00 173.24 172.85 2dgx s SER 548 N 1.46 0.39 0.00 2.44 0.15 -1.26 -5.03 113.70 111.86 2dgx s SER 548 Ca -0.09 -0.82 0.00 0.00 0.70 0.00 0.00 55.95 55.74 2dgx s SER 548 Cb -0.05 0.18 0.00 0.00 -1.71 0.00 0.00 66.02 64.43 2dgx s SER 548 CO -0.17 -0.51 0.00 0.61 1.20 0.00 0.00 173.24 174.37 2dgx n GLY 549 N 0.59 0.22 3.26 9.45 0.00 -1.26 -5.12 105.19 112.33 2dgx n GLY 549 Ca -0.17 -0.13 -0.51 0.00 0.00 0.00 0.00 46.02 45.21 2dgx n GLY 549 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dgx n SER 550 N -1.52 -0.47 -4.74 1.61 7.64 -1.26 -4.88 113.62 110.00 2dgx n SER 550 Ca 0.00 1.08 -0.39 0.00 1.01 0.00 0.00 58.87 60.57 2dgx n SER 550 Cb 0.00 -0.88 -0.05 0.00 -1.01 0.00 0.00 64.21 62.27 2dgx n SER 550 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dgx s SER 551 N -0.37 6.93 0.00 6.43 0.15 -1.26 -4.43 113.70 121.15 2dgx s SER 551 Ca 0.76 1.11 0.00 0.00 0.70 0.00 0.00 55.95 58.52 2dgx s SER 551 Cb -1.07 -2.37 0.00 0.00 -1.71 0.00 0.00 66.02 60.87 2dgx s SER 551 CO 0.53 -0.00 0.00 0.61 1.20 0.00 0.00 173.24 175.58 2dgx n GLY 552 N 2.85 0.73 3.62 9.45 0.00 -1.26 -5.04 105.19 115.55 2dgx n GLY 552 Ca -0.05 -0.45 -0.43 0.00 0.00 0.00 0.00 46.02 45.10 2dgx n GLY 552 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2dgx s ASN 553 N -2.00 6.79 0.00 1.61 -0.87 -1.26 -4.99 114.94 114.22 2dgx s ASN 553 Ca 0.00 0.82 0.00 0.00 -1.57 0.00 0.00 52.86 52.11 2dgx s ASN 553 Cb 0.00 -2.55 0.00 0.00 -0.02 0.00 0.00 41.25 38.68 2dgx s ASN 553 CO 0.00 -1.05 0.00 0.61 -2.57 0.00 0.00 177.10 174.09 2dgx n GLY 554 N 4.31 3.31 3.15 0.66 0.00 -1.26 -5.06 105.19 110.30 2dgx n GLY 554 Ca 0.12 -1.65 -0.31 0.00 0.00 0.00 0.00 46.02 44.18 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 -2.57 2.06 -0.17 4.61 0.00 -0.96 -4.87 121.76 119.87 2dgx s ALA 555 Ca 0.00 -0.95 -0.03 0.00 0.00 0.00 0.00 51.96 50.98 2dgx s ALA 555 Cb 0.00 -0.88 -0.02 0.00 0.00 0.00 0.00 23.12 22.22 2dgx s ALA 555 CO 0.00 0.06 -0.05 -0.51 0.00 0.00 0.00 175.76 175.26 2dgx s ASP 556 N 0.70 4.59 -0.29 0.00 1.01 -1.26 -0.49 116.67 120.92 2dgx s ASP 556 Ca -0.11 -0.21 -0.00 0.00 0.71 0.00 0.00 52.55 52.94 2dgx s ASP 556 Cb -0.16 -1.75 0.06 0.00 1.01 0.00 0.00 42.92 42.07 2dgx s ASP 556 CO 0.02 0.13 -0.03 -0.69 0.21 0.00 0.00 175.17 174.80 2dgx s VAL 557 N 0.61 2.71 0.03 -1.27 1.01 0.76 -2.26 120.40 121.99 2dgx s VAL 557 Ca -0.03 -1.50 -0.30 0.00 0.00 0.00 0.00 61.98 60.14 2dgx s VAL 557 Cb -0.15 -2.59 -0.04 0.00 0.00 0.00 0.00 36.38 33.60 2dgx s VAL 557 CO 0.03 -0.10 1.12 -1.10 0.00 0.00 0.00 175.10 175.04 2dgx s GLN 558 N 1.19 4.47 -0.05 2.72 -0.21 0.33 -0.82 119.66 127.29 2dgx s GLN 558 Ca -0.06 1.63 0.04 0.00 0.02 0.00 0.00 55.36 57.00 2dgx s GLN 558 Cb -0.20 -3.40 -0.00 0.00 1.00 0.00 0.00 33.01 30.40 2dgx s GLN 558 CO -0.03 -0.20 -0.19 0.08 -2.12 0.00 0.00 175.29 172.84 2dgx s VAL 559 N 1.14 1.58 0.25 1.09 1.01 0.17 0.01 120.40 125.64 2dgx s VAL 559 Ca 0.56 -0.79 0.04 0.00 0.00 0.00 0.00 61.98 61.79 2dgx s VAL 559 Cb -0.26 -1.36 -0.05 0.00 0.00 0.00 0.00 36.38 34.71 2dgx s VAL 559 CO 0.28 0.45 0.01 -0.44 0.00 0.00 0.00 175.10 175.40 2dgx s SER 560 N 0.08 1.94 -1.23 3.32 0.01 -0.34 -2.02 113.70 115.46 2dgx s SER 560 Ca -0.06 -1.25 0.00 0.00 1.31 0.00 0.00 55.95 55.95 2dgx s SER 560 Cb -0.13 -0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.09 2dgx s SER 560 CO 0.03 -0.53 0.00 -3.20 0.41 0.00 0.00 173.24 169.95 2dgx n ASN 561 N -0.47 -4.36 -4.55 2.44 4.05 -1.26 -0.30 115.26 110.80 2dgx n ASN 561 Ca -0.04 0.01 -0.34 0.00 0.45 0.00 0.00 54.58 54.66 2dgx n ASN 561 Cb 0.64 -3.49 -0.04 0.00 1.23 0.00 0.00 39.78 38.12 2dgx n ASN 561 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 2dgx s ILE 562 N -2.69 3.41 -0.74 -1.44 1.01 -1.21 -4.21 121.20 115.32 2dgx s ILE 562 Ca 0.00 -0.03 -0.13 0.00 0.00 0.00 0.00 60.65 60.49 2dgx s ILE 562 Cb 0.00 -4.00 -0.22 0.00 0.01 0.00 0.00 42.46 38.25 2dgx s ILE 562 CO 0.00 -0.96 1.75 -0.90 0.00 0.00 0.00 174.94 174.83 2dgx n ASP 563 N 13.11 -0.58 0.08 3.58 5.68 -1.26 -4.68 116.55 132.47 2dgx n ASP 563 Ca 0.28 -0.20 0.08 0.00 -0.50 0.00 0.00 54.79 54.45 2dgx n ASP 563 Cb 0.50 -0.50 0.53 0.00 -1.14 0.00 0.00 41.12 40.51 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 8.42 0.28 -0.80 2.11 -0.00 -1.89 -2.98 116.97 122.12 2dgx h TYR 564 Ca 0.00 0.01 0.11 0.00 -0.00 0.00 0.00 58.73 58.85 2dgx h TYR 564 Cb 0.89 -0.09 -0.12 0.00 -0.00 0.00 0.00 36.73 37.41 2dgx h TYR 564 CO 0.94 0.17 -0.36 0.54 -0.00 0.00 0.00 178.16 179.45 2dgx n ARG 565 N -4.49 -0.23 -0.40 0.10 1.74 -1.26 -4.44 116.66 107.67 2dgx n ARG 565 Ca 0.02 1.22 -0.23 0.00 -0.77 0.00 0.00 57.85 58.09 2dgx n ARG 565 Cb 0.16 -1.81 0.21 0.00 -1.02 0.00 0.00 32.46 30.00 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 -5.12 -0.95 -4.79 0.55 4.77 -1.13 -4.96 117.00 105.37 2dgx n LEU 566 Ca 0.06 -0.57 -0.37 0.00 -0.03 0.00 0.00 56.01 55.10 2dgx n LEU 566 Cb 0.29 -0.89 -0.06 0.00 -2.33 0.00 0.00 43.42 40.43 2dgx n LEU 566 CO -0.11 -3.82 0.00 -0.44 -1.33 0.00 0.00 177.39 171.69 2dgx s SER 567 N -2.44 6.55 0.19 -1.43 0.01 -1.26 -4.95 113.70 110.37 2dgx s SER 567 Ca 0.50 0.65 -0.21 0.00 1.31 0.00 0.00 55.95 58.20 2dgx s SER 567 Cb -0.10 -2.19 0.12 0.00 0.21 0.00 0.00 66.02 64.07 2dgx s SER 567 CO 0.44 0.22 1.58 0.03 0.41 0.00 0.00 173.24 175.92 2dgx h ARG 568 N 5.75 -0.14 -0.77 12.44 3.08 -1.93 1.00 114.38 133.82 2dgx h ARG 568 Ca -0.47 0.01 0.22 0.00 0.07 0.00 0.00 59.98 59.81 2dgx h ARG 568 Cb 1.19 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 31.25 2dgx h ARG 568 CO 0.68 -0.09 0.57 0.87 -1.07 0.00 0.00 179.97 180.92 2dgx h LYS 569 N -0.14 0.00 0.00 0.04 1.57 -1.99 0.47 116.57 116.52 2dgx h LYS 569 Ca 0.24 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.94 2dgx h LYS 569 Cb 0.56 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 2dgx h LYS 569 CO -0.74 0.00 -1.23 -1.91 -0.57 0.00 0.00 179.45 175.00 2dgx n GLU 570 N -4.24 0.61 0.00 3.15 4.07 0.29 -3.22 120.64 121.30 2dgx n GLU 570 Ca 0.15 0.16 -0.17 0.00 -0.06 0.00 0.00 57.16 57.24 2dgx n GLU 570 Cb 0.85 -1.81 -0.13 0.00 -0.06 0.00 0.00 31.44 30.29 2dgx n GLU 570 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 2dgx h LEU 571 N 0.00 0.32 -1.07 4.31 3.38 0.46 -1.73 115.31 120.99 2dgx h LEU 571 Ca -0.08 -0.90 -0.09 0.00 0.09 0.00 0.00 57.88 56.90 2dgx h LEU 571 Cb 1.27 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 2dgx h LEU 571 CO 0.02 1.20 -0.43 0.06 0.09 0.00 0.00 178.44 179.38 2dgx h GLN 572 N -0.50 0.00 0.01 1.13 3.07 -0.80 -2.63 115.11 115.39 2dgx h GLN 572 Ca -0.08 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.64 2dgx h GLN 572 Cb 1.33 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.89 2dgx h GLN 572 CO 0.09 0.43 -0.08 -0.56 0.09 0.00 0.00 178.83 178.80 2dgx h GLN 573 N 0.00 0.04 0.47 0.06 3.07 -1.63 -3.25 115.11 113.88 2dgx h GLN 573 Ca -0.00 -0.06 -0.01 0.00 0.09 0.00 0.00 58.65 58.67 2dgx h GLN 573 Cb 0.83 0.02 -0.02 0.00 0.08 0.00 0.00 27.48 28.39 2dgx h GLN 573 CO 0.06 0.94 -0.50 -0.07 0.09 0.00 0.00 178.83 179.35 2dgx h LEU 574 N -0.84 -1.39 -0.91 0.06 3.38 -1.32 -2.20 115.31 112.10 2dgx h LEU 574 Ca -0.01 0.11 0.14 0.00 0.09 0.00 0.00 57.88 58.22 2dgx h LEU 574 Cb 0.98 0.46 -0.15 0.00 0.09 0.00 0.00 40.66 42.04 2dgx h LEU 574 CO 0.02 -0.66 -0.37 -0.07 0.09 0.00 0.00 178.44 177.45 2dgx h LEU 575 N -0.98 -1.36 -0.69 1.67 3.38 -1.63 0.50 115.31 116.20 2dgx h LEU 575 Ca -0.06 0.29 0.12 0.00 0.09 0.00 0.00 57.88 58.32 2dgx h LEU 575 Cb 0.86 0.71 -0.08 0.00 0.09 0.00 0.00 40.66 42.24 2dgx h LEU 575 CO -0.08 -0.29 0.27 -0.61 0.09 0.00 0.00 178.44 177.82 2dgx h GLN 576 N -0.04 0.43 -0.64 1.13 4.15 -1.52 -0.23 115.11 118.40 2dgx h GLN 576 Ca 0.33 -0.03 0.04 0.00 0.77 0.00 0.00 58.65 59.76 2dgx h GLN 576 Cb 0.59 -0.10 -0.05 0.00 0.21 0.00 0.00 27.48 28.14 2dgx h GLN 576 CO -0.92 0.29 0.37 0.93 -1.93 0.00 0.00 178.83 177.56 2dgx h GLU 577 N 0.45 0.68 0.60 1.69 5.08 0.58 0.23 114.58 123.89 2dgx h GLU 577 Ca 0.36 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.65 2dgx h GLU 577 Cb 0.50 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 29.60 2dgx h GLU 577 CO -0.35 0.45 -0.29 0.00 -1.00 0.00 0.00 179.01 177.82 2dgx h ALA 578 N 1.31 -0.81 -0.52 3.43 0.00 -0.03 -2.79 119.26 119.85 2dgx h ALA 578 Ca 0.27 -0.20 0.09 0.00 0.00 0.00 0.00 54.91 55.07 2dgx h ALA 578 Cb 0.11 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 2dgx h ALA 578 CO -0.14 -0.84 0.35 0.74 0.00 0.00 0.00 179.25 179.36 2dgx h PHE 579 N -1.03 0.34 -0.67 0.00 0.04 -0.98 -1.49 116.94 113.14 2dgx h PHE 579 Ca -0.08 0.01 0.01 0.00 2.80 0.00 0.00 57.97 60.70 2dgx h PHE 579 Cb 0.67 -0.11 -0.03 0.00 2.20 0.00 0.00 35.95 38.68 2dgx h PHE 579 CO 0.00 0.17 0.45 0.00 -0.60 0.00 0.00 178.31 178.32 2dgx h ALA 580 N 1.73 0.85 -0.38 2.45 0.00 -0.40 -1.39 119.26 122.13 2dgx h ALA 580 Ca 0.24 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.21 2dgx h ALA 580 Cb 0.51 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2dgx h ALA 580 CO -0.06 0.28 0.40 0.00 0.00 0.00 0.00 179.25 179.87 2dgx h ARG 581 N 0.91 0.00 0.00 0.00 3.08 -1.00 -3.05 114.38 114.32 2dgx h ARG 581 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.30 2dgx h ARG 581 Cb -0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.95 2dgx h ARG 581 CO -0.06 0.00 -0.03 0.45 -1.07 0.00 0.00 179.97 179.26 2dgx h HIS 582 N 0.00 0.00 0.00 3.04 3.86 -1.33 -3.50 115.15 117.21 2dgx h HIS 582 Ca 0.18 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.39 2dgx h HIS 582 Cb 0.97 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.44 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 1.85 2.89 2.87 2.45 0.00 -0.87 -5.05 105.19 109.32 2dgx n GLY 583 Ca -0.00 -0.23 -0.30 0.00 0.00 0.00 0.00 46.02 45.49 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 3.47 1.25 0.35 1.61 2.47 -1.26 -4.61 119.74 123.02 2dgx s LYS 584 Ca 0.00 -0.99 -0.29 0.00 -1.56 0.00 0.00 55.97 53.14 2dgx s LYS 584 Cb 0.00 -2.44 -0.11 0.00 -1.46 0.00 0.00 37.83 33.81 2dgx s LYS 584 CO 0.00 -0.72 1.50 0.28 0.16 0.00 0.00 175.35 176.57 2dgx n VAL 585 N 4.73 1.73 -0.13 4.02 0.31 -1.26 -1.35 118.33 126.39 2dgx n VAL 585 Ca -0.08 -0.43 -0.24 0.00 -0.01 0.00 0.00 64.34 63.58 2dgx n VAL 585 Cb 0.44 -1.94 -0.10 0.00 -0.91 0.00 0.00 33.84 31.33 2dgx n VAL 585 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2dgx n LYS 586 N 0.91 0.58 -3.74 5.55 4.81 0.89 -4.60 118.16 122.56 2dgx n LYS 586 Ca 0.03 0.21 -0.03 0.00 -0.87 0.00 0.00 58.31 57.65 2dgx n LYS 586 Cb 0.38 -1.46 -0.01 0.00 0.02 0.00 0.00 35.03 33.96 2dgx n LYS 586 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2dgx s SER 587 N -6.99 -0.16 -0.08 3.14 0.15 -0.91 -4.97 113.70 103.88 2dgx s SER 587 Ca -0.35 -0.38 -0.03 0.00 0.70 0.00 0.00 55.95 55.89 2dgx s SER 587 Cb 0.12 0.46 0.04 0.00 -1.71 0.00 0.00 66.02 64.93 2dgx s SER 587 CO 0.50 -0.84 0.09 -0.69 1.20 0.00 0.00 173.24 173.50 2dgx s VAL 588 N -3.20 -0.14 -0.09 4.45 1.01 -1.26 -0.83 120.40 120.35 2dgx s VAL 588 Ca 0.13 0.29 0.01 0.00 0.00 0.00 0.00 61.98 62.40 2dgx s VAL 588 Cb -0.01 -0.27 -0.02 0.00 0.00 0.00 0.00 36.38 36.08 2dgx s VAL 588 CO 0.02 0.07 -0.11 -1.61 0.00 0.00 0.00 175.10 173.47 2dgx s GLU 589 N 2.19 2.92 0.09 2.72 0.41 -0.72 -5.03 118.70 121.28 2dgx s GLU 589 Ca 0.04 -0.63 0.05 0.00 -0.41 0.00 0.00 54.97 54.02 2dgx s GLU 589 Cb -0.13 -2.56 -0.04 0.00 -1.78 0.00 0.00 34.13 29.63 2dgx s GLU 589 CO -0.05 0.49 0.00 -0.51 -0.49 0.00 0.00 175.26 174.70 2dgx s LEU 590 N -0.36 3.47 0.48 1.80 1.43 -1.26 -1.38 118.68 122.87 2dgx s LEU 590 Ca 0.04 -0.18 -0.15 0.00 -1.03 0.00 0.00 54.13 52.82 2dgx s LEU 590 Cb -0.12 -2.20 -0.07 0.00 0.03 0.00 0.00 46.19 43.82 2dgx s LEU 590 CO 0.02 0.17 0.92 -0.94 0.23 0.00 0.00 176.35 176.76 2dgx s SER 591 N -2.33 6.58 0.54 2.29 1.04 -0.77 -4.97 113.70 116.10 2dgx s SER 591 Ca 0.26 1.43 0.34 0.00 0.48 0.00 0.00 55.95 58.46 2dgx s SER 591 Cb -0.12 -2.45 1.40 0.00 0.10 0.00 0.00 66.02 64.95 2dgx s SER 591 CO 0.18 -0.54 1.99 1.55 0.98 0.00 0.00 173.24 177.41 2dgx h PRO 592 N 0.98 0.00 -6.83 4.02 0.13 -1.96 -3.45 132.00 124.89 2dgx h PRO 592 Ca -0.47 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.13 2dgx h PRO 592 Cb 1.19 0.00 0.08 0.00 0.13 0.00 0.00 31.00 32.39 2dgx h PRO 592 CO 0.62 0.00 0.80 -1.01 -0.23 0.00 0.00 178.00 178.18 2dgx s HIS 593 N -3.67 2.83 -0.22 1.56 3.76 -1.26 -4.93 115.29 113.36 2dgx s HIS 593 Ca 0.01 1.02 0.11 0.00 -0.15 0.00 0.00 55.06 56.04 2dgx s HIS 593 Cb 0.09 -3.94 0.43 0.00 1.11 0.00 0.00 32.58 30.27 2dgx s HIS 593 CO 0.53 -2.97 1.22 -2.37 -0.85 0.00 0.00 174.74 170.30 2dgx n THR 594 N 1.68 2.25 -4.29 1.30 5.66 -1.26 -4.65 114.28 114.96 2dgx n THR 594 Ca 0.05 -3.33 -0.20 0.00 -3.05 0.00 0.00 64.05 57.52 2dgx n THR 594 Cb 0.39 -0.33 -0.08 0.00 -1.55 0.00 0.00 70.33 68.77 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 -1.08 -0.55 -0.56 1.09 9.92 -1.26 -4.99 116.55 119.12 2dgx n ASP 595 Ca 0.22 -3.15 0.43 0.00 -0.53 0.00 0.00 54.79 51.76 2dgx n ASP 595 Cb 0.72 1.59 0.67 0.00 -0.64 0.00 0.00 41.12 43.47 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 -0.64 0.00 -0.51 1.24 4.11 -1.26 0.11 117.16 120.21 2dgx n TYR 596 Ca 0.07 0.00 -0.08 0.00 -0.00 0.00 0.00 57.90 57.89 2dgx n TYR 596 Cb 0.59 -0.40 0.02 0.00 -0.00 0.00 0.00 39.34 39.56 2dgx n TYR 596 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.86 177.90 2dgx n GLN 597 N -3.56 1.39 -3.24 -3.48 6.02 -1.26 -4.80 117.38 108.45 2dgx n GLN 597 Ca 0.36 -0.78 -0.41 0.00 -0.01 0.00 0.00 57.00 56.16 2dgx n GLN 597 Cb 1.68 -1.31 -0.08 0.00 1.02 0.00 0.00 30.24 31.56 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 -0.90 4.27 0.48 1.08 2.96 0.31 -4.71 118.68 122.17 2dgx s LEU 598 Ca 0.15 0.11 0.04 0.00 -0.22 0.00 0.00 54.13 54.21 2dgx s LEU 598 Cb 0.12 -2.60 -0.02 0.00 0.50 0.00 0.00 46.19 44.19 2dgx s LEU 598 CO 0.00 -0.43 0.09 -0.54 -1.32 0.00 0.00 176.35 174.15 2dgx s LYS 599 N 2.38 2.16 0.10 1.98 1.02 -1.26 -3.35 119.74 122.77 2dgx s LYS 599 Ca 0.19 -2.22 -0.25 0.00 0.02 0.00 0.00 55.97 53.72 2dgx s LYS 599 Cb -0.15 -1.70 0.07 0.00 -0.52 0.00 0.00 37.83 35.53 2dgx s LYS 599 CO 0.12 -0.31 0.65 0.00 -0.92 0.00 0.00 175.35 174.90 2dgx s ALA 600 N -2.79 -1.66 -0.16 5.17 0.00 -0.85 -1.84 121.76 119.62 2dgx s ALA 600 Ca 0.20 0.72 -0.00 0.00 0.00 0.00 0.00 51.96 52.88 2dgx s ALA 600 Cb 0.03 0.64 0.04 0.00 0.00 0.00 0.00 23.12 23.83 2dgx s ALA 600 CO 0.11 -0.68 -0.07 0.08 0.00 0.00 0.00 175.76 175.21 2dgx s VAL 601 N -3.16 1.18 -0.24 0.00 1.01 -0.48 -0.66 120.40 118.06 2dgx s VAL 601 Ca -0.01 -0.62 -0.13 0.00 0.00 0.00 0.00 61.98 61.22 2dgx s VAL 601 Cb -0.01 -1.31 -0.04 0.00 0.00 0.00 0.00 36.38 35.02 2dgx s VAL 601 CO -0.08 0.19 0.28 -0.69 0.00 0.00 0.00 175.10 174.80 2dgx s VAL 602 N 1.61 5.27 -0.05 2.92 1.01 0.00 -1.76 120.40 129.40 2dgx s VAL 602 Ca 0.01 0.42 -0.13 0.00 0.00 0.00 0.00 61.98 62.28 2dgx s VAL 602 Cb -0.15 -3.61 -0.05 0.00 0.00 0.00 0.00 36.38 32.57 2dgx s VAL 602 CO -0.08 0.27 0.35 -1.10 0.00 0.00 0.00 175.10 174.54 2dgx s GLN 603 N 1.39 3.89 -0.03 2.72 1.11 -0.01 -0.17 119.66 128.56 2dgx s GLN 603 Ca 0.13 0.28 0.08 0.00 0.01 0.00 0.00 55.36 55.85 2dgx s GLN 603 Cb -0.15 -3.25 -0.02 0.00 -1.01 0.00 0.00 33.01 28.59 2dgx s GLN 603 CO 0.07 0.63 -0.25 -1.64 0.01 0.00 0.00 175.29 174.10 2dgx s MET 604 N -0.80 2.19 0.09 2.91 -1.94 0.35 -0.08 119.30 122.04 2dgx s MET 604 Ca 0.21 -0.92 -0.33 0.00 -1.71 0.00 0.00 55.69 52.95 2dgx s MET 604 Cb -0.15 -2.07 -0.14 0.00 2.01 0.00 0.00 34.83 34.47 2dgx s MET 604 CO 0.10 0.53 1.60 0.93 -0.01 0.00 0.00 175.02 178.17 2dgx h GLU 605 N 5.58 -0.81 -6.46 2.03 4.39 -1.47 -2.55 114.58 115.30 2dgx h GLU 605 Ca -0.41 0.05 -0.53 0.00 0.34 0.00 0.00 59.36 58.81 2dgx h GLU 605 Cb 1.13 0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 29.93 2dgx h GLU 605 CO 0.47 -0.54 -0.08 1.21 -1.16 0.00 0.00 179.01 178.91 2dgx s ASN 606 N -4.51 6.67 -0.04 1.42 2.47 -1.26 -4.51 114.94 115.18 2dgx s ASN 606 Ca -0.17 0.99 -0.19 0.00 0.42 0.00 0.00 52.86 53.91 2dgx s ASN 606 Cb 0.05 -2.25 -0.13 0.00 -1.45 0.00 0.00 41.25 37.47 2dgx s ASN 606 CO 0.62 -0.07 0.79 0.25 -3.72 0.00 0.00 177.10 174.98 2dgx h LEU 607 N 2.65 -0.28 -1.48 3.21 7.12 -1.91 -3.24 115.31 121.38 2dgx h LEU 607 Ca -0.47 -0.22 0.14 0.00 0.13 0.00 0.00 57.88 57.46 2dgx h LEU 607 Cb 1.17 0.07 -0.05 0.00 -0.53 0.00 0.00 40.66 41.32 2dgx h LEU 607 CO 0.68 0.23 0.52 -0.61 -0.13 0.00 0.00 178.44 179.13 2dgx h GLN 608 N -0.95 0.50 -0.73 1.25 4.15 -1.98 0.21 115.11 117.56 2dgx h GLN 608 Ca -0.03 -0.03 0.10 0.00 0.77 0.00 0.00 58.65 59.45 2dgx h GLN 608 Cb 0.48 -0.11 -0.05 0.00 0.21 0.00 0.00 27.48 28.01 2dgx h GLN 608 CO 0.05 0.33 0.48 -0.44 -1.93 0.00 0.00 178.83 177.33 2dgx h ASP 609 N 0.52 0.56 -0.02 -0.69 3.32 -1.97 -2.39 116.42 115.74 2dgx h ASP 609 Ca 0.38 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.41 2dgx h ASP 609 Cb 0.76 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.21 2dgx h ASP 609 CO -0.14 0.34 -0.12 0.00 -1.72 0.00 0.00 179.24 177.59 2dgx h ALA 610 N 1.63 0.04 -0.28 3.45 0.00 -0.98 -2.62 119.26 120.51 2dgx h ALA 610 Ca 0.34 -0.38 0.02 0.00 0.00 0.00 0.00 54.91 54.89 2dgx h ALA 610 Cb 0.48 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 2dgx h ALA 610 CO -0.12 -0.03 -0.16 -0.89 0.00 0.00 0.00 179.25 178.05 2dgx n ILE 611 N -4.64 -0.19 -0.27 0.00 5.41 -0.91 -0.30 119.36 118.46 2dgx n ILE 611 Ca -0.09 1.71 -0.05 0.00 1.00 0.00 0.00 62.75 65.32 2dgx n ILE 611 Cb 0.40 -2.21 0.06 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 1.14 0.47 7.39 0.00 -1.68 -2.27 103.07 108.13 2dgx h GLY 612 Ca 0.04 -0.54 0.20 0.00 0.00 0.00 0.00 47.33 47.04 2dgx h GLY 612 CO -0.26 0.51 0.55 0.00 0.00 0.00 0.00 176.54 177.34 2dgx h ALA 613 N 1.20 2.49 0.11 3.60 0.00 -0.67 0.22 119.26 126.21 2dgx h ALA 613 Ca 0.26 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 2dgx h ALA 613 Cb 0.07 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2dgx h ALA 613 CO -0.04 -0.72 -0.05 0.28 0.00 0.00 0.00 179.25 178.72 2dgx h VAL 614 N 0.17 0.00 0.00 0.00 2.07 -0.06 0.84 116.25 119.26 2dgx h VAL 614 Ca 0.39 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.54 2dgx h VAL 614 Cb 1.28 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 2dgx h VAL 614 CO -0.07 0.00 0.22 0.78 0.02 0.00 0.00 177.57 178.52 2dgx h ASN 615 N -0.52 0.00 0.00 0.57 2.35 -1.28 0.85 115.58 117.55 2dgx h ASN 615 Ca -0.02 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.70 2dgx h ASN 615 Cb 0.11 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 2dgx h ASN 615 CO 0.02 0.00 -0.64 -1.20 -1.65 0.00 0.00 177.43 173.96 2dgx n SER 616 N -2.64 1.82 0.10 5.81 7.64 0.75 -4.24 113.62 122.86 2dgx n SER 616 Ca -0.02 0.60 0.11 0.00 1.01 0.00 0.00 58.87 60.57 2dgx n SER 616 Cb 0.26 -0.88 0.45 0.00 -1.01 0.00 0.00 64.21 63.03 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 -4.58 0.51 -4.66 -3.43 4.77 0.29 -4.82 117.00 105.08 2dgx n LEU 617 Ca -0.11 0.63 -0.63 0.00 -0.03 0.00 0.00 56.01 55.87 2dgx n LEU 617 Cb 0.33 -0.57 -0.09 0.00 -2.33 0.00 0.00 43.42 40.77 2dgx n LEU 617 CO 0.12 -0.50 0.99 1.57 -1.33 0.00 0.00 177.39 178.24 2dgx n HIS 618 N -2.07 1.46 -2.92 -1.77 -0.00 0.29 0.12 115.22 110.33 2dgx n HIS 618 Ca 0.02 1.01 -0.21 0.00 0.46 0.00 0.00 57.72 59.00 2dgx n HIS 618 Cb 0.21 -2.23 0.03 0.00 -0.12 0.00 0.00 29.99 27.88 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 3.36 -4.36 -1.72 1.57 5.12 0.36 -4.88 116.66 116.10 2dgx n ARG 619 Ca 0.26 0.86 -0.43 0.00 -1.93 0.00 0.00 57.85 56.62 2dgx n ARG 619 Cb 0.02 -5.58 -0.03 0.00 -1.16 0.00 0.00 32.46 25.72 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 1.37 -0.83 -1.55 5.04 0.32 -4.52 117.35 114.04 2dgx s TYR 620 Ca 0.26 0.25 -0.21 0.00 -2.44 0.00 0.00 57.07 54.93 2dgx s TYR 620 Cb -0.12 -4.04 -0.20 0.00 0.35 0.00 0.00 41.96 37.95 2dgx s TYR 620 CO 0.32 -4.30 2.36 1.17 -1.34 0.00 0.00 175.55 173.77 2dgx n LYS 621 N 8.23 0.40 -4.46 4.97 3.00 -1.26 -3.12 118.16 125.93 2dgx n LYS 621 Ca 0.25 -0.41 -0.24 0.00 -0.00 0.00 0.00 58.31 57.91 2dgx n LYS 621 Cb 0.44 -2.65 -0.10 0.00 0.00 0.00 0.00 35.03 32.72 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 9.46 2.43 0.00 3.15 1.01 -1.21 -5.03 121.20 131.01 2dgx s ILE 622 Ca 1.09 -2.34 0.00 0.00 0.00 0.00 0.00 60.65 59.41 2dgx s ILE 622 Cb -0.45 -2.26 0.00 0.00 0.01 0.00 0.00 42.46 39.76 2dgx s ILE 622 CO 0.29 -0.36 0.00 0.61 0.00 0.00 0.00 174.94 175.48 2dgx n GLY 623 N -0.45 1.54 0.04 6.18 0.00 -1.26 -1.23 105.19 110.01 2dgx n GLY 623 Ca -0.06 0.41 0.02 0.00 0.00 0.00 0.00 46.02 46.39 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 2.71 1.56 -3.79 1.61 7.64 -1.26 -5.04 113.62 117.05 2dgx n SER 624 Ca 0.00 -2.00 -0.13 0.00 1.01 0.00 0.00 58.87 57.75 2dgx n SER 624 Cb 0.00 -0.09 -0.10 0.00 -1.01 0.00 0.00 64.21 63.01 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 -1.08 0.53 -0.20 1.43 3.01 -0.37 -5.04 119.74 118.03 2dgx s LYS 625 Ca 0.06 -0.05 -0.29 0.00 -1.01 0.00 0.00 55.97 54.67 2dgx s LYS 625 Cb 0.05 0.23 0.00 0.00 -1.01 0.00 0.00 37.83 37.11 2dgx s LYS 625 CO 0.01 -0.12 1.09 0.15 0.51 0.00 0.00 175.35 176.98 2dgx s LYS 626 N -0.88 4.27 0.12 1.68 3.01 -1.26 -3.30 119.74 123.39 2dgx s LYS 626 Ca -0.10 1.44 -0.30 0.00 -1.01 0.00 0.00 55.97 56.01 2dgx s LYS 626 Cb -0.05 -3.66 -0.06 0.00 -1.01 0.00 0.00 37.83 33.05 2dgx s LYS 626 CO 0.02 -0.61 1.08 0.96 0.51 0.00 0.00 175.35 177.31 2dgx s ILE 627 N 3.12 4.14 -0.46 2.17 -4.36 -1.18 -4.74 121.20 119.88 2dgx s ILE 627 Ca 0.47 1.73 -0.16 0.00 -0.26 0.00 0.00 60.65 62.44 2dgx s ILE 627 Cb -0.17 -4.10 0.06 0.00 1.25 0.00 0.00 42.46 39.49 2dgx s ILE 627 CO 0.10 0.24 0.38 -0.76 0.24 0.00 0.00 174.94 175.14 2dgx s LEU 628 N 0.12 5.45 0.24 0.37 1.43 0.59 0.14 118.68 127.01 2dgx s LEU 628 Ca 0.51 -1.19 -0.13 0.00 -1.03 0.00 0.00 54.13 52.29 2dgx s LEU 628 Cb -0.27 -2.19 -0.08 0.00 0.03 0.00 0.00 46.19 43.68 2dgx s LEU 628 CO 0.32 -0.61 0.62 -0.69 0.23 0.00 0.00 176.35 176.22 2dgx s VAL 629 N 1.71 4.81 -0.28 -1.59 1.01 -1.26 -1.20 120.40 123.59 2dgx s VAL 629 Ca 0.05 0.76 -0.23 0.00 0.00 0.00 0.00 61.98 62.56 2dgx s VAL 629 Cb -0.23 -3.66 0.10 0.00 0.00 0.00 0.00 36.38 32.59 2dgx s VAL 629 CO 0.08 -0.01 0.87 -0.44 0.00 0.00 0.00 175.10 175.60 2dgx s SER 630 N -2.13 -0.63 0.98 3.32 0.01 0.10 -4.84 113.70 110.51 2dgx s SER 630 Ca 0.47 1.15 -0.12 0.00 1.31 0.00 0.00 55.95 58.77 2dgx s SER 630 Cb -0.12 1.19 0.18 0.00 0.21 0.00 0.00 66.02 67.48 2dgx s SER 630 CO 0.20 -0.19 1.08 -0.76 0.41 0.00 0.00 173.24 173.97 2dgx s LEU 631 N 0.59 1.89 0.34 2.44 1.43 -1.26 0.12 118.68 124.23 2dgx s LEU 631 Ca -0.01 1.57 0.03 0.00 -1.03 0.00 0.00 54.13 54.69 2dgx s LEU 631 Cb -0.05 -3.82 -0.04 0.00 0.03 0.00 0.00 46.19 42.31 2dgx s LEU 631 CO -0.06 -3.19 0.10 0.00 0.23 0.00 0.00 176.35 173.43 2dgx s ALA 632 N -2.77 2.38 -0.72 4.21 0.00 -0.96 -4.58 121.76 119.33 2dgx s ALA 632 Ca 0.65 -1.70 -0.28 0.00 0.00 0.00 0.00 51.96 50.63 2dgx s ALA 632 Cb -0.21 0.84 -0.14 0.00 0.00 0.00 0.00 23.12 23.61 2dgx s ALA 632 CO 0.59 -0.38 2.55 0.25 0.00 0.00 0.00 175.76 178.77 2dgx n THR 633 N -0.71 -0.05 0.00 0.00 -2.24 -1.26 -4.82 114.28 105.20 2dgx n THR 633 Ca -0.03 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 2dgx n THR 633 Cb 0.66 -1.75 0.00 0.00 -2.10 0.00 0.00 70.33 67.14 2dgx n THR 633 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dgx n GLY 634 N 6.24 0.25 2.76 3.38 0.00 -1.26 -4.92 105.19 111.64 2dgx n GLY 634 Ca 0.50 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.24 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 -3.21 1.14 0.20 4.61 0.00 -1.26 -5.00 121.76 118.23 2dgx s ALA 635 Ca 0.00 -0.79 -0.32 0.00 0.00 0.00 0.00 51.96 50.85 2dgx s ALA 635 Cb 0.00 -1.22 -0.15 0.00 0.00 0.00 0.00 23.12 21.75 2dgx s ALA 635 CO 0.00 -1.18 1.17 0.43 0.00 0.00 0.00 175.76 176.18 2dgx n SER 636 N 4.99 1.48 -3.00 0.00 7.64 -1.26 -4.96 113.62 118.52 2dgx n SER 636 Ca -0.09 1.15 0.00 0.00 1.01 0.00 0.00 58.87 60.93 2dgx n SER 636 Cb 0.47 -1.25 -0.00 0.00 -1.01 0.00 0.00 64.21 62.42 2dgx n SER 636 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dgx s GLY 637 N -0.05 -1.37 0.19 0.23 0.00 -1.26 -5.03 107.32 100.03 2dgx s GLY 637 Ca 0.71 0.37 -0.30 0.00 0.00 0.00 0.00 44.72 45.50 2dgx s GLY 637 CO 0.53 3.85 1.31 2.56 0.00 0.00 0.00 173.10 181.35 2dgx s PRO 638 N 1.65 4.39 0.00 2.90 0.04 -1.26 -4.99 135.00 137.73 2dgx s PRO 638 Ca 0.19 2.05 -0.30 0.00 0.04 0.00 0.00 61.00 62.97 2dgx s PRO 638 Cb -0.01 -3.20 -0.04 0.00 0.04 0.00 0.00 34.50 31.30 2dgx s PRO 638 CO -0.09 -0.26 1.11 0.45 0.04 0.00 0.00 177.00 178.25 2dgx s SER 639 N 0.39 7.19 0.25 6.66 0.15 -1.26 -5.04 113.70 122.03 2dgx s SER 639 Ca 0.57 1.81 0.10 0.00 0.70 0.00 0.00 55.95 59.14 2dgx s SER 639 Cb -0.36 -2.57 -0.05 0.00 -1.71 0.00 0.00 66.02 61.33 2dgx s SER 639 CO 0.38 -0.42 -0.10 -0.44 1.20 0.00 0.00 173.24 173.86 2dgx s SER 640 N 1.12 4.10 0.00 5.45 0.01 -1.26 -5.37 113.70 117.75 2dgx s SER 640 Ca 0.55 -0.78 0.31 0.00 1.31 0.00 0.00 55.95 57.34 2dgx s SER 640 Cb -0.25 -0.60 1.68 0.00 0.21 0.00 0.00 66.02 67.06 2dgx s SER 640 CO 0.26 0.04 2.10 0.61 0.41 0.00 0.00 173.24 176.66