#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 0.50 0.02 1.61 7.64 -1.26 -4.99 113.62 117.13 2dgx n SER 547 Ca 0.00 0.55 -0.02 0.00 1.01 0.00 0.00 58.87 60.41 2dgx n SER 547 Cb 0.00 -1.45 -0.01 0.00 -1.01 0.00 0.00 64.21 61.74 2dgx n SER 547 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dgx n SER 548 N -2.95 1.08 -4.55 6.43 7.64 -1.26 -4.87 113.62 115.14 2dgx n SER 548 Ca 0.13 0.15 -0.22 0.00 1.01 0.00 0.00 58.87 59.94 2dgx n SER 548 Cb 0.51 -0.37 -0.09 0.00 -1.01 0.00 0.00 64.21 63.25 2dgx n SER 548 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dgx n GLY 549 N 3.08 0.32 3.51 0.23 0.00 -1.26 -4.84 105.19 106.23 2dgx n GLY 549 Ca -0.02 -0.33 -0.40 0.00 0.00 0.00 0.00 46.02 45.27 2dgx n GLY 549 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dgx n SER 550 N 16.96 0.83 -3.64 1.61 2.88 -1.26 -4.82 113.62 126.18 2dgx n SER 550 Ca 0.43 -0.01 -0.09 0.00 -1.33 0.00 0.00 58.87 57.88 2dgx n SER 550 Cb 0.47 -1.10 -0.07 0.00 -0.75 0.00 0.00 64.21 62.76 2dgx n SER 550 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dgx s SER 551 N 9.87 -0.55 0.00 -3.46 1.04 -1.26 -5.05 113.70 114.29 2dgx s SER 551 Ca 1.26 1.01 0.00 0.00 0.48 0.00 0.00 55.95 58.70 2dgx s SER 551 Cb -0.97 1.08 0.00 0.00 0.10 0.00 0.00 66.02 66.23 2dgx s SER 551 CO 0.43 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 175.09 2dgx n GLY 552 N 2.73 -0.03 3.82 7.32 0.00 -1.26 -5.14 105.19 112.63 2dgx n GLY 552 Ca -0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.68 6.94 0.00 1.61 6.03 -1.26 -4.90 114.94 121.69 2dgx s ASN 553 Ca 0.00 1.62 0.00 0.00 -1.03 0.00 0.00 52.86 53.45 2dgx s ASN 553 Cb 0.00 -2.51 0.00 0.00 -3.03 0.00 0.00 41.25 35.71 2dgx s ASN 553 CO 0.00 -0.30 0.00 0.61 -2.03 0.00 0.00 177.10 175.38 2dgx n GLY 554 N -0.45 0.35 2.73 0.45 0.00 -1.22 -5.07 105.19 101.98 2dgx n GLY 554 Ca 0.06 0.44 -0.21 0.00 0.00 0.00 0.00 46.02 46.32 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 0.42 -0.26 4.61 0.00 -1.16 -4.74 121.76 120.62 2dgx s ALA 555 Ca 0.00 0.07 -0.05 0.00 0.00 0.00 0.00 51.96 51.98 2dgx s ALA 555 Cb 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 23.12 22.51 2dgx s ALA 555 CO 0.00 -0.40 0.03 -0.51 0.00 0.00 0.00 175.76 174.87 2dgx s ASP 556 N 1.89 4.81 -0.39 0.00 1.01 -1.26 -0.12 116.67 122.60 2dgx s ASP 556 Ca 0.02 -0.60 -0.13 0.00 0.71 0.00 0.00 52.55 52.55 2dgx s ASP 556 Cb -0.12 -1.82 0.02 0.00 1.01 0.00 0.00 42.92 42.01 2dgx s ASP 556 CO -0.04 -0.12 0.26 -0.69 0.21 0.00 0.00 175.17 174.79 2dgx s VAL 557 N 1.48 4.95 -0.05 -1.27 1.01 -0.64 -2.08 120.40 123.80 2dgx s VAL 557 Ca 0.03 -0.76 -0.30 0.00 0.00 0.00 0.00 61.98 60.96 2dgx s VAL 557 Cb -0.16 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 2dgx s VAL 557 CO 0.00 -0.28 1.27 -1.10 0.00 0.00 0.00 175.10 175.00 2dgx s GLN 558 N 1.62 4.31 -0.13 2.72 -0.21 0.28 -0.79 119.66 127.46 2dgx s GLN 558 Ca 0.04 1.76 -0.02 0.00 0.02 0.00 0.00 55.36 57.16 2dgx s GLN 558 Cb -0.19 -3.60 -0.02 0.00 1.00 0.00 0.00 33.01 30.20 2dgx s GLN 558 CO 0.08 -0.52 -0.07 0.08 -2.12 0.00 0.00 175.29 172.74 2dgx s VAL 559 N 2.47 3.63 0.20 1.09 1.01 0.10 -1.07 120.40 127.83 2dgx s VAL 559 Ca 0.58 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 62.10 2dgx s VAL 559 Cb -0.26 -2.55 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 2dgx s VAL 559 CO 0.22 0.52 0.09 -0.44 0.00 0.00 0.00 175.10 175.49 2dgx s SER 560 N 0.16 0.68 -1.19 3.32 0.01 -0.77 -1.46 113.70 114.44 2dgx s SER 560 Ca -0.03 -1.32 0.00 0.00 1.31 0.00 0.00 55.95 55.91 2dgx s SER 560 Cb -0.14 0.25 0.00 0.00 0.21 0.00 0.00 66.02 66.34 2dgx s SER 560 CO 0.03 -0.74 0.00 -3.20 0.41 0.00 0.00 173.24 169.74 2dgx n ASN 561 N -0.30 -4.20 -4.75 2.44 5.15 -1.26 -0.56 115.26 111.79 2dgx n ASN 561 Ca -0.01 0.10 -0.36 0.00 -0.60 0.00 0.00 54.58 53.71 2dgx n ASN 561 Cb 0.65 -3.20 0.05 0.00 -0.53 0.00 0.00 39.78 36.75 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 -2.58 2.57 -0.93 -1.44 1.01 -1.18 -4.19 121.20 114.45 2dgx s ILE 562 Ca 0.00 0.34 -0.19 0.00 0.00 0.00 0.00 60.65 60.80 2dgx s ILE 562 Cb 0.00 -3.08 0.12 0.00 0.01 0.00 0.00 42.46 39.51 2dgx s ILE 562 CO 0.00 -0.09 1.14 -1.81 0.00 0.00 0.00 174.94 174.18 2dgx s ASP 563 N -1.69 6.61 0.35 3.58 1.01 -1.26 -4.72 116.67 120.55 2dgx s ASP 563 Ca 0.77 -1.97 0.16 0.00 0.71 0.00 0.00 52.55 52.21 2dgx s ASP 563 Cb -0.30 -2.41 1.08 0.00 1.01 0.00 0.00 42.92 42.30 2dgx s ASP 563 CO 0.36 -1.10 1.69 0.10 0.21 0.00 0.00 175.17 176.42 2dgx h TYR 564 N 8.92 0.87 -0.82 4.23 -0.00 -1.91 -1.46 116.97 126.80 2dgx h TYR 564 Ca 0.15 0.03 0.10 0.00 0.00 0.00 0.00 58.73 59.01 2dgx h TYR 564 Cb 1.02 -0.24 -0.12 0.00 0.00 0.00 0.00 36.73 37.40 2dgx h TYR 564 CO 1.17 -0.10 -0.39 0.54 -0.00 0.00 0.00 178.16 179.37 2dgx n ARG 565 N -4.92 -0.27 -1.94 0.10 1.74 -1.26 -4.37 116.66 105.74 2dgx n ARG 565 Ca 0.30 1.25 -0.37 0.00 -0.77 0.00 0.00 57.85 58.27 2dgx n ARG 565 Cb 0.97 -1.85 0.03 0.00 -1.02 0.00 0.00 32.46 30.59 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 -10.26 3.80 0.49 0.55 1.43 -0.55 -4.97 118.68 109.17 2dgx s LEU 566 Ca -0.11 2.55 -0.22 0.00 -1.03 0.00 0.00 54.13 55.33 2dgx s LEU 566 Cb 0.13 -4.40 -0.07 0.00 0.03 0.00 0.00 46.19 41.89 2dgx s LEU 566 CO 0.55 -1.50 1.15 -0.94 0.23 0.00 0.00 176.35 175.84 2dgx s SER 567 N -1.26 6.04 0.18 2.29 1.04 -1.26 -4.81 113.70 115.92 2dgx s SER 567 Ca 0.73 2.24 -0.23 0.00 0.48 0.00 0.00 55.95 59.17 2dgx s SER 567 Cb -0.35 -2.59 0.09 0.00 0.10 0.00 0.00 66.02 63.27 2dgx s SER 567 CO 0.40 -1.00 1.56 0.03 0.98 0.00 0.00 173.24 175.21 2dgx h ARG 568 N 1.75 -0.14 -0.28 4.02 3.08 -1.93 0.30 114.38 121.18 2dgx h ARG 568 Ca -0.50 0.01 0.07 0.00 0.07 0.00 0.00 59.98 59.63 2dgx h ARG 568 Cb 1.25 0.03 -0.07 0.00 0.08 0.00 0.00 29.97 31.26 2dgx h ARG 568 CO 0.59 -0.09 -0.18 0.87 -1.07 0.00 0.00 179.97 180.09 2dgx h LYS 569 N -0.14 -0.15 -0.78 0.04 1.57 -1.99 0.26 116.57 115.38 2dgx h LYS 569 Ca 0.22 0.01 0.14 0.00 -1.87 0.00 0.00 60.65 59.16 2dgx h LYS 569 Cb 0.56 0.03 -0.09 0.00 0.08 0.00 0.00 32.23 32.80 2dgx h LYS 569 CO -0.78 -0.10 0.33 1.49 -0.57 0.00 0.00 179.45 179.83 2dgx h GLU 570 N -0.16 0.47 -0.39 3.15 4.57 -1.37 -0.72 114.58 120.13 2dgx h GLU 570 Ca 0.15 -0.03 -0.15 0.00 -1.18 0.00 0.00 59.36 58.15 2dgx h GLU 570 Cb 0.38 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.86 2dgx h GLU 570 CO -0.37 0.31 -0.34 -0.07 -1.18 0.00 0.00 179.01 177.35 2dgx h LEU 571 N 0.48 0.97 0.34 1.64 3.38 0.06 -2.22 115.31 119.97 2dgx h LEU 571 Ca 0.43 -0.46 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 2dgx h LEU 571 Cb 0.64 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 2dgx h LEU 571 CO -0.39 1.22 -0.47 1.56 0.09 0.00 0.00 178.44 180.45 2dgx h GLN 572 N 0.73 -0.80 -0.10 1.13 1.08 0.91 0.68 115.11 118.73 2dgx h GLN 572 Ca 0.07 0.05 0.02 0.00 -1.45 0.00 0.00 58.65 57.35 2dgx h GLN 572 Cb 0.93 0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 28.52 2dgx h GLN 572 CO 0.09 -0.53 -0.04 -0.56 -0.95 0.00 0.00 178.83 176.83 2dgx h GLN 573 N -0.83 -0.03 -0.03 1.46 3.07 -1.40 -1.91 115.11 115.43 2dgx h GLN 573 Ca -0.04 0.00 0.02 0.00 0.09 0.00 0.00 58.65 58.72 2dgx h GLN 573 Cb 0.75 0.01 -0.04 0.00 0.08 0.00 0.00 27.48 28.29 2dgx h GLN 573 CO -0.13 -0.02 -0.34 -0.07 0.09 0.00 0.00 178.83 178.36 2dgx h LEU 574 N -0.03 -1.05 -0.59 0.06 3.38 -1.20 0.19 115.31 116.06 2dgx h LEU 574 Ca 0.06 0.12 0.12 0.00 0.09 0.00 0.00 57.88 58.26 2dgx h LEU 574 Cb 0.12 0.40 -0.12 0.00 0.09 0.00 0.00 40.66 41.16 2dgx h LEU 574 CO -0.12 -0.32 -0.22 -0.07 0.09 0.00 0.00 178.44 177.79 2dgx h LEU 575 N -0.40 -0.79 -0.81 1.67 3.38 -0.79 0.14 115.31 117.71 2dgx h LEU 575 Ca 0.01 0.20 0.09 0.00 0.09 0.00 0.00 57.88 58.27 2dgx h LEU 575 Cb 0.44 0.45 -0.07 0.00 0.09 0.00 0.00 40.66 41.57 2dgx h LEU 575 CO -0.24 -0.25 0.46 -0.61 0.09 0.00 0.00 178.44 177.89 2dgx h GLN 576 N -0.07 0.75 0.22 1.13 4.15 -0.76 -1.03 115.11 119.50 2dgx h GLN 576 Ca 0.27 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.64 2dgx h GLN 576 Cb 0.50 -0.17 -0.00 0.00 0.21 0.00 0.00 27.48 28.02 2dgx h GLN 576 CO -0.65 0.50 -0.14 0.93 -1.93 0.00 0.00 178.83 177.54 2dgx h GLU 577 N 0.77 -0.34 0.58 1.69 5.08 0.21 0.18 114.58 122.75 2dgx h GLU 577 Ca 0.39 0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.75 2dgx h GLU 577 Cb 0.34 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 2dgx h GLU 577 CO -0.24 -0.22 -0.43 0.00 -1.00 0.00 0.00 179.01 177.11 2dgx h ALA 578 N 0.42 -1.17 -0.25 3.43 0.00 -0.72 -1.09 119.26 119.88 2dgx h ALA 578 Ca -0.02 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.77 2dgx h ALA 578 Cb 0.29 0.60 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2dgx h ALA 578 CO 0.02 -1.16 0.25 0.74 0.00 0.00 0.00 179.25 179.10 2dgx h PHE 579 N -0.97 0.00 -0.32 0.00 0.04 -1.21 -0.46 116.94 114.03 2dgx h PHE 579 Ca -0.08 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.52 2dgx h PHE 579 Cb 0.80 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.95 2dgx h PHE 579 CO -0.14 0.00 -0.49 0.00 -0.60 0.00 0.00 178.31 177.08 2dgx h ALA 580 N 1.72 0.49 -0.29 2.45 0.00 0.14 -2.43 119.26 121.35 2dgx h ALA 580 Ca 0.12 -0.49 0.08 0.00 0.00 0.00 0.00 54.91 54.62 2dgx h ALA 580 Cb 0.62 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2dgx h ALA 580 CO -0.00 0.67 0.27 0.00 0.00 0.00 0.00 179.25 180.19 2dgx h ARG 581 N 0.69 0.00 0.00 0.00 3.08 0.16 -3.05 114.38 115.27 2dgx h ARG 581 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 2dgx h ARG 581 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.14 2dgx h ARG 581 CO 0.11 0.00 -0.19 0.45 -1.07 0.00 0.00 179.97 179.27 2dgx h HIS 582 N 0.00 0.00 0.00 3.04 3.86 -1.53 -3.50 115.15 117.02 2dgx h HIS 582 Ca 0.14 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.35 2dgx h HIS 582 Cb 0.68 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.15 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 1.74 3.27 2.89 2.45 0.00 -0.93 -5.06 105.19 109.56 2dgx n GLY 583 Ca -0.03 -0.30 -0.30 0.00 0.00 0.00 0.00 46.02 45.39 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 3.82 1.35 0.28 1.61 2.47 -1.26 -4.57 119.74 123.44 2dgx s LYS 584 Ca 0.00 -0.93 -0.30 0.00 -1.56 0.00 0.00 55.97 53.18 2dgx s LYS 584 Cb 0.00 -2.48 -0.12 0.00 -1.46 0.00 0.00 37.83 33.78 2dgx s LYS 584 CO 0.00 -0.65 1.62 0.08 0.16 0.00 0.00 175.35 176.56 2dgx s VAL 585 N 1.48 2.02 -0.19 4.02 1.01 -1.26 -0.93 120.40 126.54 2dgx s VAL 585 Ca -0.03 0.02 -0.15 0.00 0.00 0.00 0.00 61.98 61.82 2dgx s VAL 585 Cb -0.18 -3.01 -0.08 0.00 0.00 0.00 0.00 36.38 33.10 2dgx s VAL 585 CO -0.08 0.00 -0.22 1.17 0.00 0.00 0.00 175.10 175.97 2dgx n LYS 586 N 2.45 0.52 -3.68 2.72 4.81 0.13 -4.64 118.16 120.46 2dgx n LYS 586 Ca 0.09 0.36 -0.11 0.00 -0.87 0.00 0.00 58.31 57.79 2dgx n LYS 586 Cb 0.37 -1.56 -0.06 0.00 0.02 0.00 0.00 35.03 33.80 2dgx n LYS 586 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 2dgx s SER 587 N -6.30 -0.20 -0.07 3.14 0.01 -0.75 -4.97 113.70 104.56 2dgx s SER 587 Ca -0.27 -0.23 0.00 0.00 1.31 0.00 0.00 55.95 56.77 2dgx s SER 587 Cb 0.06 0.43 0.02 0.00 0.21 0.00 0.00 66.02 66.74 2dgx s SER 587 CO 0.40 -0.74 -0.05 -0.69 0.41 0.00 0.00 173.24 172.57 2dgx s VAL 588 N -3.18 0.68 0.02 3.43 1.01 -1.26 0.42 120.40 121.52 2dgx s VAL 588 Ca -0.01 -0.15 0.04 0.00 0.00 0.00 0.00 61.98 61.86 2dgx s VAL 588 Cb 0.01 -0.72 -0.02 0.00 0.00 0.00 0.00 36.38 35.65 2dgx s VAL 588 CO -0.07 0.28 -0.11 -1.61 0.00 0.00 0.00 175.10 173.58 2dgx s GLU 589 N 1.28 0.79 0.13 2.72 8.01 -0.81 -5.03 118.70 125.78 2dgx s GLU 589 Ca -0.05 -0.61 0.10 0.00 0.01 0.00 0.00 54.97 54.42 2dgx s GLU 589 Cb -0.14 -0.74 -0.04 0.00 -4.31 0.00 0.00 34.13 28.90 2dgx s GLU 589 CO -0.02 0.19 -0.24 -0.51 0.01 0.00 0.00 175.26 174.69 2dgx s LEU 590 N -0.91 2.45 0.60 1.80 1.43 -1.26 -1.07 118.68 121.73 2dgx s LEU 590 Ca 0.00 -0.69 -0.10 0.00 -1.03 0.00 0.00 54.13 52.31 2dgx s LEU 590 Cb -0.07 -1.33 -0.04 0.00 0.03 0.00 0.00 46.19 44.79 2dgx s LEU 590 CO 0.01 0.18 1.00 -0.44 0.23 0.00 0.00 176.35 177.32 2dgx s SER 591 N -2.12 6.19 0.50 2.29 0.01 -0.67 -4.97 113.70 114.93 2dgx s SER 591 Ca 0.16 1.33 0.28 0.00 1.31 0.00 0.00 55.95 59.03 2dgx s SER 591 Cb -0.10 -2.41 1.20 0.00 0.21 0.00 0.00 66.02 64.92 2dgx s SER 591 CO 0.08 -0.85 1.93 1.55 0.41 0.00 0.00 173.24 176.36 2dgx h PRO 592 N -0.25 0.00 -6.31 12.44 0.13 -1.95 -3.46 132.00 132.60 2dgx h PRO 592 Ca -0.44 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.03 2dgx h PRO 592 Cb 1.20 0.00 0.07 0.00 0.13 0.00 0.00 31.00 32.40 2dgx h PRO 592 CO 0.62 0.13 0.30 0.72 -0.23 0.00 0.00 178.00 179.53 2dgx n HIS 593 N -3.31 1.31 -1.95 1.56 8.25 -1.26 -4.89 115.22 114.93 2dgx n HIS 593 Ca -0.00 0.68 -0.22 0.00 -0.26 0.00 0.00 57.72 57.92 2dgx n HIS 593 Cb 0.35 -2.28 0.04 0.00 1.12 0.00 0.00 29.99 29.22 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 1.70 2.55 -3.63 1.59 5.66 -1.26 -4.67 114.28 116.23 2dgx n THR 594 Ca 0.16 -4.06 -0.07 0.00 -3.05 0.00 0.00 64.05 57.03 2dgx n THR 594 Cb 0.23 -1.05 0.01 0.00 -1.55 0.00 0.00 70.33 67.97 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 -0.76 -1.40 -0.51 1.09 8.00 -1.26 -4.99 116.55 116.72 2dgx n ASP 595 Ca 0.43 -2.13 0.39 0.00 0.71 0.00 0.00 54.79 54.19 2dgx n ASP 595 Cb 0.93 2.37 0.62 0.00 -0.02 0.00 0.00 41.12 45.03 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 -0.37 0.19 -0.55 1.24 4.11 -1.26 0.10 117.16 120.61 2dgx n TYR 596 Ca -0.04 0.19 -0.04 0.00 -0.00 0.00 0.00 57.90 58.00 2dgx n TYR 596 Cb 0.40 -0.59 0.01 0.00 -0.00 0.00 0.00 39.34 39.16 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 -3.78 1.20 -3.27 -3.48 1.13 -1.26 -4.70 117.38 103.22 2dgx n GLN 597 Ca 0.34 -0.39 -0.43 0.00 -1.94 0.00 0.00 57.00 54.59 2dgx n GLN 597 Cb 1.49 -1.15 -0.08 0.00 0.11 0.00 0.00 30.24 30.61 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 -0.45 4.70 0.54 1.08 2.96 0.28 -4.64 118.68 123.15 2dgx s LEU 598 Ca 0.08 -0.50 0.03 0.00 -0.22 0.00 0.00 54.13 53.52 2dgx s LEU 598 Cb 0.06 -2.48 0.02 0.00 0.50 0.00 0.00 46.19 44.29 2dgx s LEU 598 CO -0.00 -0.60 0.23 -0.54 -1.32 0.00 0.00 176.35 174.12 2dgx s LYS 599 N 2.32 2.23 0.18 1.98 1.02 -1.26 -3.13 119.74 123.07 2dgx s LYS 599 Ca 0.15 -2.21 -0.24 0.00 0.02 0.00 0.00 55.97 53.69 2dgx s LYS 599 Cb -0.16 -1.84 0.06 0.00 -0.52 0.00 0.00 37.83 35.36 2dgx s LYS 599 CO 0.15 -0.54 0.91 0.00 -0.92 0.00 0.00 175.35 174.95 2dgx s ALA 600 N -2.83 -1.57 -0.16 5.17 0.00 -0.54 -1.67 121.76 120.16 2dgx s ALA 600 Ca 0.20 0.05 -0.03 0.00 0.00 0.00 0.00 51.96 52.18 2dgx s ALA 600 Cb -0.01 0.68 0.05 0.00 0.00 0.00 0.00 23.12 23.84 2dgx s ALA 600 CO 0.12 -1.04 0.03 0.08 0.00 0.00 0.00 175.76 174.95 2dgx s VAL 601 N -3.40 0.44 -0.47 0.00 1.01 -0.23 0.01 120.40 117.76 2dgx s VAL 601 Ca 0.12 -0.34 -0.15 0.00 0.00 0.00 0.00 61.98 61.61 2dgx s VAL 601 Cb -0.02 -0.86 0.07 0.00 0.00 0.00 0.00 36.38 35.57 2dgx s VAL 601 CO 0.03 -0.08 0.39 -0.69 0.00 0.00 0.00 175.10 174.75 2dgx s VAL 602 N 1.91 5.18 0.27 2.92 1.01 0.03 -1.93 120.40 129.78 2dgx s VAL 602 Ca 0.01 -1.07 -0.29 0.00 0.00 0.00 0.00 61.98 60.63 2dgx s VAL 602 Cb -0.16 -4.09 -0.09 0.00 0.00 0.00 0.00 36.38 32.04 2dgx s VAL 602 CO -0.07 -0.57 0.99 -1.58 0.00 0.00 0.00 175.10 173.87 2dgx s GLN 603 N 1.63 4.74 0.16 2.72 0.74 0.17 -1.61 119.66 128.21 2dgx s GLN 603 Ca 0.04 1.56 0.10 0.00 0.05 0.00 0.00 55.36 57.12 2dgx s GLN 603 Cb -0.24 -3.18 -0.04 0.00 1.10 0.00 0.00 33.01 30.65 2dgx s GLN 603 CO 0.06 0.38 -0.20 -1.64 -0.55 0.00 0.00 175.29 173.34 2dgx s MET 604 N -1.39 1.66 0.01 1.67 -1.94 0.82 0.17 119.30 120.30 2dgx s MET 604 Ca 0.44 -1.36 -0.26 0.00 -1.71 0.00 0.00 55.69 52.79 2dgx s MET 604 Cb -0.27 -1.98 -0.16 0.00 2.01 0.00 0.00 34.83 34.44 2dgx s MET 604 CO 0.34 0.44 1.18 0.93 -0.01 0.00 0.00 175.02 177.89 2dgx h GLU 605 N 3.41 -0.70 -5.85 2.03 4.39 -1.30 -3.08 114.58 113.48 2dgx h GLU 605 Ca -0.48 0.05 -0.63 0.00 0.34 0.00 0.00 59.36 58.64 2dgx h GLU 605 Cb 1.19 0.16 -0.06 0.00 -0.10 0.00 0.00 28.75 29.94 2dgx h GLU 605 CO 0.47 -0.39 -0.30 1.21 -1.16 0.00 0.00 179.01 178.83 2dgx s ASN 606 N -4.71 6.64 0.07 1.42 2.47 -1.26 -3.44 114.94 116.13 2dgx s ASN 606 Ca -0.14 0.77 -0.30 0.00 0.42 0.00 0.00 52.86 53.61 2dgx s ASN 606 Cb 0.02 -2.19 -0.18 0.00 -1.45 0.00 0.00 41.25 37.45 2dgx s ASN 606 CO 0.48 0.33 1.59 0.25 -3.72 0.00 0.00 177.10 176.03 2dgx h LEU 607 N 4.95 -0.57 -0.59 3.21 7.12 -1.85 -2.99 115.31 124.59 2dgx h LEU 607 Ca -0.52 -0.00 0.09 0.00 0.13 0.00 0.00 57.88 57.58 2dgx h LEU 607 Cb 1.22 0.15 -0.07 0.00 -0.53 0.00 0.00 40.66 41.43 2dgx h LEU 607 CO 0.61 -0.37 0.22 -0.61 -0.13 0.00 0.00 178.44 178.16 2dgx h GLN 608 N -0.72 0.39 -1.00 1.25 4.15 -1.97 -1.04 115.11 116.16 2dgx h GLN 608 Ca -0.07 -0.02 0.30 0.00 0.77 0.00 0.00 58.65 59.63 2dgx h GLN 608 Cb 0.54 -0.09 -0.14 0.00 0.21 0.00 0.00 27.48 28.00 2dgx h GLN 608 CO 0.11 0.26 0.57 -0.44 -1.93 0.00 0.00 178.83 177.40 2dgx h ASP 609 N 0.40 0.55 -0.08 -0.69 3.32 -1.94 0.93 116.42 118.90 2dgx h ASP 609 Ca 0.30 0.18 -0.03 0.00 0.02 0.00 0.00 57.03 57.49 2dgx h ASP 609 Cb 0.36 0.11 -0.00 0.00 0.22 0.00 0.00 39.33 40.02 2dgx h ASP 609 CO -0.30 -0.07 -0.07 0.00 -1.72 0.00 0.00 179.24 177.08 2dgx h ALA 610 N 1.82 0.12 -0.34 3.45 0.00 -1.10 -2.68 119.26 120.53 2dgx h ALA 610 Ca 0.71 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 55.37 2dgx h ALA 610 Cb 1.55 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.27 2dgx h ALA 610 CO -0.57 -0.08 -0.20 -0.89 0.00 0.00 0.00 179.25 177.51 2dgx n ILE 611 N -4.71 -0.23 0.04 0.00 5.41 0.31 -0.12 119.36 120.06 2dgx n ILE 611 Ca -0.07 1.61 -0.12 0.00 1.00 0.00 0.00 62.75 65.17 2dgx n ILE 611 Cb 0.30 -2.07 -0.07 0.00 -0.71 0.00 0.00 39.64 37.09 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 -0.01 -0.55 7.39 0.00 -1.64 -2.43 103.07 105.83 2dgx h GLY 612 Ca 0.05 0.01 0.35 0.00 0.00 0.00 0.00 47.33 47.74 2dgx h GLY 612 CO -0.32 -0.01 0.83 0.00 0.00 0.00 0.00 176.54 177.04 2dgx h ALA 613 N 0.91 2.79 0.23 3.60 0.00 -0.82 0.64 119.26 126.61 2dgx h ALA 613 Ca -0.00 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2dgx h ALA 613 Cb 0.08 0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2dgx h ALA 613 CO 0.00 -1.23 -0.11 0.28 0.00 0.00 0.00 179.25 178.19 2dgx h VAL 614 N 0.16 0.00 0.00 0.00 2.07 -0.06 0.20 116.25 118.61 2dgx h VAL 614 Ca 0.65 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 67.54 2dgx h VAL 614 Cb 2.17 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.94 2dgx h VAL 614 CO -0.19 0.00 0.00 0.59 0.02 0.00 0.00 177.57 177.99 2dgx n ASN 615 N -4.61 0.42 -0.08 0.57 3.02 -0.71 -0.36 115.26 113.51 2dgx n ASN 615 Ca -0.04 0.68 -0.07 0.00 -0.03 0.00 0.00 54.58 55.12 2dgx n ASN 615 Cb 0.12 -0.74 -0.02 0.00 -0.61 0.00 0.00 39.78 38.53 2dgx n ASN 615 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2dgx n SER 616 N -2.05 1.87 0.14 6.41 7.64 0.22 -4.34 113.62 123.51 2dgx n SER 616 Ca -0.00 0.48 0.11 0.00 1.01 0.00 0.00 58.87 60.47 2dgx n SER 616 Cb 0.06 -0.81 0.51 0.00 -1.01 0.00 0.00 64.21 62.96 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 -4.54 0.58 -4.67 -3.43 4.77 0.70 -4.79 117.00 105.62 2dgx n LEU 617 Ca -0.11 0.70 -0.63 0.00 -0.03 0.00 0.00 56.01 55.94 2dgx n LEU 617 Cb 0.40 -0.69 -0.09 0.00 -2.33 0.00 0.00 43.42 40.71 2dgx n LEU 617 CO 0.16 -0.73 1.00 1.57 -1.33 0.00 0.00 177.39 178.06 2dgx n HIS 618 N -2.20 1.48 -3.08 -1.77 -0.00 0.51 0.82 115.22 110.98 2dgx n HIS 618 Ca 0.00 1.00 -0.19 0.00 0.46 0.00 0.00 57.72 58.99 2dgx n HIS 618 Cb 0.13 -2.23 0.04 0.00 -0.12 0.00 0.00 29.99 27.81 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 3.42 -5.02 -2.02 1.57 5.12 0.39 -4.90 116.66 115.21 2dgx n ARG 619 Ca 0.26 0.75 -0.43 0.00 -1.93 0.00 0.00 57.85 56.50 2dgx n ARG 619 Cb 0.02 -5.34 -0.03 0.00 -1.16 0.00 0.00 32.46 25.96 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 -3.14 1.84 -0.86 -1.55 5.04 0.24 -4.60 117.35 114.32 2dgx s TYR 620 Ca 0.34 0.62 -0.22 0.00 -2.44 0.00 0.00 57.07 55.37 2dgx s TYR 620 Cb -0.15 -4.14 -0.21 0.00 0.35 0.00 0.00 41.96 37.81 2dgx s TYR 620 CO 0.42 -2.90 2.40 1.17 -1.34 0.00 0.00 175.55 175.30 2dgx n LYS 621 N 8.40 0.32 -4.44 4.97 0.00 -1.26 -3.03 118.16 123.11 2dgx n LYS 621 Ca 0.22 -0.20 -0.24 0.00 0.00 0.00 0.00 58.31 58.09 2dgx n LYS 621 Cb 0.47 -2.21 -0.10 0.00 0.00 0.00 0.00 35.03 33.19 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 8.03 2.60 0.00 3.15 1.01 -1.00 -5.01 121.20 129.98 2dgx s ILE 622 Ca 1.18 -2.32 0.00 0.00 0.00 0.00 0.00 60.65 59.51 2dgx s ILE 622 Cb -0.66 -2.36 0.00 0.00 0.01 0.00 0.00 42.46 39.45 2dgx s ILE 622 CO 0.38 -0.38 0.00 0.61 0.00 0.00 0.00 174.94 175.55 2dgx n GLY 623 N -0.60 1.35 0.04 6.18 0.00 -1.26 -1.06 105.19 109.83 2dgx n GLY 623 Ca -0.06 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.35 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 2.52 1.14 -4.15 1.61 2.88 -1.26 -5.04 113.62 111.32 2dgx n SER 624 Ca 0.00 -1.10 -0.10 0.00 -1.33 0.00 0.00 58.87 56.35 2dgx n SER 624 Cb 0.00 -0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.36 2dgx n SER 624 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2dgx s LYS 625 N -0.13 0.78 -0.20 -1.46 1.02 -0.23 -5.10 119.74 114.42 2dgx s LYS 625 Ca 0.01 -1.31 -0.20 0.00 0.02 0.00 0.00 55.97 54.49 2dgx s LYS 625 Cb 0.01 -0.07 -0.03 0.00 -0.52 0.00 0.00 37.83 37.22 2dgx s LYS 625 CO 0.01 -0.06 0.61 0.15 -0.92 0.00 0.00 175.35 175.14 2dgx s LYS 626 N -3.87 4.21 0.31 1.68 3.01 -1.26 -2.39 119.74 121.43 2dgx s LYS 626 Ca 0.11 0.58 -0.27 0.00 -1.01 0.00 0.00 55.97 55.38 2dgx s LYS 626 Cb 0.06 -3.57 -0.10 0.00 -1.01 0.00 0.00 37.83 33.21 2dgx s LYS 626 CO -0.06 -0.22 0.97 0.96 0.51 0.00 0.00 175.35 177.51 2dgx s ILE 627 N 1.84 4.07 -0.32 2.17 -4.36 -1.17 -4.76 121.20 118.67 2dgx s ILE 627 Ca 0.28 1.81 -0.04 0.00 -0.26 0.00 0.00 60.65 62.45 2dgx s ILE 627 Cb -0.16 -4.05 0.05 0.00 1.25 0.00 0.00 42.46 39.55 2dgx s ILE 627 CO 0.10 0.23 0.05 -0.76 0.24 0.00 0.00 174.94 174.81 2dgx s LEU 628 N -1.86 4.15 0.29 0.37 1.43 0.28 0.15 118.68 123.49 2dgx s LEU 628 Ca 0.48 -1.27 -0.15 0.00 -1.03 0.00 0.00 54.13 52.16 2dgx s LEU 628 Cb -0.22 -1.78 -0.09 0.00 0.03 0.00 0.00 46.19 44.14 2dgx s LEU 628 CO 0.27 -0.31 0.71 -0.69 0.23 0.00 0.00 176.35 176.57 2dgx s VAL 629 N 1.30 4.69 -0.27 -1.59 1.01 -1.26 -1.85 120.40 122.43 2dgx s VAL 629 Ca -0.03 0.95 -0.22 0.00 0.00 0.00 0.00 61.98 62.68 2dgx s VAL 629 Cb -0.20 -3.65 0.08 0.00 0.00 0.00 0.00 36.38 32.60 2dgx s VAL 629 CO 0.00 -0.10 0.72 -0.44 0.00 0.00 0.00 175.10 175.29 2dgx s SER 630 N -2.16 -0.81 0.87 3.32 0.01 -0.23 -4.85 113.70 109.84 2dgx s SER 630 Ca 0.51 1.46 -0.11 0.00 1.31 0.00 0.00 55.95 59.11 2dgx s SER 630 Cb -0.11 1.43 0.11 0.00 0.21 0.00 0.00 66.02 67.65 2dgx s SER 630 CO 0.18 -0.24 1.09 -0.76 0.41 0.00 0.00 173.24 173.92 2dgx s LEU 631 N 0.84 2.38 0.19 2.44 1.43 -1.26 0.98 118.68 125.68 2dgx s LEU 631 Ca -0.04 1.46 0.07 0.00 -1.03 0.00 0.00 54.13 54.60 2dgx s LEU 631 Cb -0.05 -3.94 -0.05 0.00 0.03 0.00 0.00 46.19 42.18 2dgx s LEU 631 CO -0.07 -2.45 -0.13 0.00 0.23 0.00 0.00 176.35 173.92 2dgx s ALA 632 N -2.98 1.88 -0.10 4.21 0.00 -0.88 -4.63 121.76 119.25 2dgx s ALA 632 Ca 0.63 -1.61 -0.01 0.00 0.00 0.00 0.00 51.96 50.96 2dgx s ALA 632 Cb -0.17 -0.06 -0.03 0.00 0.00 0.00 0.00 23.12 22.86 2dgx s ALA 632 CO 0.56 0.03 -0.05 -0.08 0.00 0.00 0.00 175.76 176.22 2dgx s THR 633 N -3.03 3.80 -0.64 0.00 -1.32 -1.26 -4.78 115.64 108.42 2dgx s THR 633 Ca 0.21 -0.42 0.05 0.00 -1.21 0.00 0.00 61.69 60.31 2dgx s THR 633 Cb -0.00 -2.60 0.16 0.00 -1.51 0.00 0.00 72.50 68.54 2dgx s THR 633 CO 0.05 0.56 0.41 -0.83 -2.21 0.00 0.00 174.62 172.60 2dgx s GLY 634 N -0.33 2.75 0.05 6.08 0.00 -1.26 -5.08 107.32 109.52 2dgx s GLY 634 Ca 0.05 -3.62 -0.30 0.00 0.00 0.00 0.00 44.72 40.84 2dgx s GLY 634 CO 0.02 1.07 1.10 0.00 0.00 0.00 0.00 173.10 175.30 2dgx s ALA 635 N -1.03 3.30 0.19 3.20 0.00 -1.26 -5.04 121.76 121.12 2dgx s ALA 635 Ca 0.22 0.73 0.10 0.00 0.00 0.00 0.00 51.96 53.00 2dgx s ALA 635 Cb -0.12 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.56 2dgx s ALA 635 CO -0.11 -0.33 -0.20 0.45 0.00 0.00 0.00 175.76 175.58 2dgx s SER 636 N 0.90 2.98 0.18 0.00 0.15 -1.26 -5.07 113.70 111.59 2dgx s SER 636 Ca 0.55 -0.90 0.00 0.00 0.70 0.00 0.00 55.95 56.30 2dgx s SER 636 Cb -0.26 -0.20 0.00 0.00 -1.71 0.00 0.00 66.02 63.85 2dgx s SER 636 CO 0.29 0.00 0.00 0.61 1.20 0.00 0.00 173.24 175.35 2dgx n GLY 637 N 0.11 -3.34 0.07 9.45 0.00 -1.26 -4.84 105.19 105.38 2dgx n GLY 637 Ca -0.12 -1.10 -0.13 0.00 0.00 0.00 0.00 46.02 44.68 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 0.27 0.05 -4.19 1.61 0.13 -2.04 -3.48 132.00 124.35 2dgx h PRO 638 Ca 0.00 -0.03 -0.29 0.00 -0.87 0.00 0.00 66.00 64.81 2dgx h PRO 638 Cb 0.17 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.22 2dgx h PRO 638 CO 0.00 0.52 -0.22 -1.12 -0.23 0.00 0.00 178.00 176.96 2dgx s SER 639 N -5.76 0.96 0.53 1.44 0.01 -1.26 -5.16 113.70 104.47 2dgx s SER 639 Ca -0.16 -1.50 -0.19 0.00 1.31 0.00 0.00 55.95 55.41 2dgx s SER 639 Cb 0.02 0.65 -0.07 0.00 0.21 0.00 0.00 66.02 66.84 2dgx s SER 639 CO 0.69 -1.27 1.07 -0.44 0.41 0.00 0.00 173.24 173.69 2dgx s SER 640 N -3.25 6.03 0.00 2.44 0.01 -1.26 -5.17 113.70 112.51 2dgx s SER 640 Ca 0.31 1.97 0.00 0.00 1.31 0.00 0.00 55.95 59.54 2dgx s SER 640 Cb -0.00 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.67 2dgx s SER 640 CO 0.21 -1.00 0.00 0.61 0.41 0.00 0.00 173.24 173.47