#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 -0.13 -4.27 1.61 4.64 -2.09 -3.45 113.55 109.87 2dgx h SER 547 Ca 0.00 -0.33 -0.61 0.00 -0.47 0.00 0.00 61.79 60.38 2dgx h SER 547 Cb 0.00 0.03 -0.30 0.00 -0.31 0.00 0.00 62.40 61.82 2dgx h SER 547 CO 0.00 0.28 -0.86 -0.94 -0.87 0.00 0.00 176.83 174.44 2dgx s SER 548 N -5.43 2.49 0.00 4.97 1.04 -1.26 -5.02 113.70 110.49 2dgx s SER 548 Ca -0.15 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 55.89 2dgx s SER 548 Cb 0.02 -0.42 0.00 0.00 0.10 0.00 0.00 66.02 65.72 2dgx s SER 548 CO 0.61 0.23 0.00 0.61 0.98 0.00 0.00 173.24 175.68 2dgx n GLY 549 N 2.74 0.83 0.37 7.32 0.00 -1.26 -5.07 105.19 110.11 2dgx n GLY 549 Ca -0.16 -1.07 -0.21 0.00 0.00 0.00 0.00 46.02 44.59 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 0.00 1.47 -4.69 1.61 7.64 -1.26 -4.06 113.62 114.32 2dgx n SER 550 Ca 0.00 0.25 -0.38 0.00 1.01 0.00 0.00 58.87 59.75 2dgx n SER 550 Cb 0.00 -0.61 -0.06 0.00 -1.01 0.00 0.00 64.21 62.53 2dgx n SER 550 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dgx s SER 551 N -6.76 6.61 0.00 6.43 1.04 -1.26 -4.88 113.70 114.88 2dgx s SER 551 Ca -0.28 0.72 0.00 0.00 0.48 0.00 0.00 55.95 56.87 2dgx s SER 551 Cb 0.10 -2.28 0.00 0.00 0.10 0.00 0.00 66.02 63.94 2dgx s SER 551 CO 0.36 -0.08 0.00 0.61 0.98 0.00 0.00 173.24 175.10 2dgx n GLY 552 N 3.60 0.25 4.06 7.32 0.00 -1.26 -5.00 105.19 114.15 2dgx n GLY 552 Ca -0.06 -1.76 -0.34 0.00 0.00 0.00 0.00 46.02 43.86 2dgx n GLY 552 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2dgx n ASN 553 N 0.00 -0.97 -0.60 1.61 5.15 -1.26 -4.77 115.26 114.42 2dgx n ASN 553 Ca 0.00 -1.06 0.00 0.00 -0.60 0.00 0.00 54.58 52.92 2dgx n ASN 553 Cb 0.00 -1.34 0.00 0.00 -0.53 0.00 0.00 39.78 37.91 2dgx n ASN 553 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2dgx n GLY 554 N -1.30 1.88 3.09 8.20 0.00 -1.26 -5.13 105.19 110.67 2dgx n GLY 554 Ca 0.01 -0.86 -0.33 0.00 0.00 0.00 0.00 46.02 44.84 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 -1.00 2.89 -0.27 4.61 0.00 -1.22 -4.98 121.76 121.79 2dgx s ALA 555 Ca 0.00 -2.21 -0.13 0.00 0.00 0.00 0.00 51.96 49.62 2dgx s ALA 555 Cb 0.00 -2.01 -0.04 0.00 0.00 0.00 0.00 23.12 21.06 2dgx s ALA 555 CO 0.00 -1.53 0.27 -0.51 0.00 0.00 0.00 175.76 173.99 2dgx s ASP 556 N 1.26 6.14 -0.33 0.00 1.11 -1.26 -0.94 116.67 122.65 2dgx s ASP 556 Ca 0.03 0.14 -0.06 0.00 0.18 0.00 0.00 52.55 52.84 2dgx s ASP 556 Cb -0.20 -2.16 0.04 0.00 1.07 0.00 0.00 42.92 41.67 2dgx s ASP 556 CO -0.05 -0.09 0.10 -0.69 1.18 0.00 0.00 175.17 175.62 2dgx s VAL 557 N 1.79 3.78 -0.03 -1.27 1.01 -0.13 -1.69 120.40 123.86 2dgx s VAL 557 Ca 0.11 -1.10 -0.30 0.00 0.00 0.00 0.00 61.98 60.69 2dgx s VAL 557 Cb -0.16 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 2dgx s VAL 557 CO 0.10 -0.15 1.34 -1.10 0.00 0.00 0.00 175.10 175.28 2dgx s GLN 558 N 1.41 4.30 -0.10 2.72 -0.21 0.34 -0.86 119.66 127.25 2dgx s GLN 558 Ca -0.01 1.86 0.03 0.00 0.02 0.00 0.00 55.36 57.26 2dgx s GLN 558 Cb -0.19 -3.60 0.01 0.00 1.00 0.00 0.00 33.01 30.23 2dgx s GLN 558 CO 0.03 -0.56 -0.20 0.08 -2.12 0.00 0.00 175.29 172.52 2dgx s VAL 559 N 2.49 1.82 0.22 1.09 1.01 0.15 -0.71 120.40 126.48 2dgx s VAL 559 Ca 0.61 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.73 2dgx s VAL 559 Cb -0.29 -1.61 -0.05 0.00 0.00 0.00 0.00 36.38 34.44 2dgx s VAL 559 CO 0.24 0.51 0.08 -0.44 0.00 0.00 0.00 175.10 175.49 2dgx s SER 560 N 0.60 0.99 -0.86 3.32 0.01 -0.60 -0.34 113.70 116.81 2dgx s SER 560 Ca -0.14 -1.33 -0.04 0.00 1.31 0.00 0.00 55.95 55.75 2dgx s SER 560 Cb -0.17 0.19 0.00 0.00 0.21 0.00 0.00 66.02 66.26 2dgx s SER 560 CO 0.04 -0.71 0.54 -3.20 0.41 0.00 0.00 173.24 170.31 2dgx n ASN 561 N -0.37 -4.44 -4.61 2.44 4.05 -1.25 -0.23 115.26 110.86 2dgx n ASN 561 Ca -0.01 -0.25 -0.42 0.00 0.45 0.00 0.00 54.58 54.35 2dgx n ASN 561 Cb 0.65 -3.16 -0.05 0.00 1.23 0.00 0.00 39.78 38.45 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 -3.05 4.79 -0.89 -1.44 1.01 -1.25 -3.80 121.20 116.56 2dgx s ILE 562 Ca 0.27 1.12 -0.26 0.00 0.00 0.00 0.00 60.65 61.77 2dgx s ILE 562 Cb -0.12 -4.15 -0.21 0.00 0.01 0.00 0.00 42.46 38.00 2dgx s ILE 562 CO 0.33 -0.28 2.54 -0.90 0.00 0.00 0.00 174.94 176.64 2dgx n ASP 563 N 6.23 0.47 -0.35 3.58 5.68 -1.26 -4.74 116.55 126.15 2dgx n ASP 563 Ca 0.03 -0.16 0.05 0.00 -0.50 0.00 0.00 54.79 54.21 2dgx n ASP 563 Cb 0.48 -1.02 0.22 0.00 -1.14 0.00 0.00 41.12 39.66 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 13.34 1.15 -0.72 2.11 -0.00 -1.92 -2.75 116.97 128.17 2dgx h TYR 564 Ca -0.07 0.03 0.12 0.00 -0.00 0.00 0.00 58.73 58.81 2dgx h TYR 564 Cb 1.26 -0.37 -0.12 0.00 -0.00 0.00 0.00 36.73 37.50 2dgx h TYR 564 CO 1.12 0.54 -0.27 0.54 -0.00 0.00 0.00 178.16 180.09 2dgx n ARG 565 N -4.54 -0.16 -1.50 0.10 1.74 -1.26 -4.37 116.66 106.67 2dgx n ARG 565 Ca 0.16 1.12 -0.36 0.00 -0.77 0.00 0.00 57.85 58.00 2dgx n ARG 565 Cb 0.26 -1.66 0.09 0.00 -1.02 0.00 0.00 32.46 30.13 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 -5.08 5.39 -4.76 0.55 4.77 -1.04 -4.95 117.00 111.87 2dgx n LEU 566 Ca 0.08 0.74 -0.40 0.00 -0.03 0.00 0.00 56.01 56.40 2dgx n LEU 566 Cb 0.30 -1.53 -0.03 0.00 -2.33 0.00 0.00 43.42 39.82 2dgx n LEU 566 CO -0.10 -1.28 0.83 -0.44 -1.33 0.00 0.00 177.39 175.07 2dgx s SER 567 N -1.65 7.01 0.20 -1.43 0.01 -1.26 -4.87 113.70 111.72 2dgx s SER 567 Ca 0.79 2.34 -0.12 0.00 1.31 0.00 0.00 55.95 60.27 2dgx s SER 567 Cb -0.35 -2.63 0.25 0.00 0.21 0.00 0.00 66.02 63.50 2dgx s SER 567 CO 0.44 -0.33 1.68 0.03 0.41 0.00 0.00 173.24 175.47 2dgx h ARG 568 N 3.43 0.14 -0.16 12.44 3.08 -1.92 0.31 114.38 131.70 2dgx h ARG 568 Ca -0.48 -0.01 0.05 0.00 0.07 0.00 0.00 59.98 59.61 2dgx h ARG 568 Cb 1.22 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.23 2dgx h ARG 568 CO 0.65 0.09 0.12 0.87 -1.07 0.00 0.00 179.97 180.63 2dgx h LYS 569 N 0.14 0.00 0.00 0.04 1.57 -2.00 0.20 116.57 116.53 2dgx h LYS 569 Ca 0.29 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 59.02 2dgx h LYS 569 Cb 0.45 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 2dgx h LYS 569 CO -0.45 0.00 -0.60 1.49 -0.57 0.00 0.00 179.45 179.32 2dgx h GLU 570 N 0.00 0.00 0.06 3.15 4.57 -0.90 -3.20 114.58 118.26 2dgx h GLU 570 Ca 0.08 0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 58.09 2dgx h GLU 570 Cb 0.31 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.89 2dgx h GLU 570 CO -0.00 0.14 -0.84 -0.07 -1.18 0.00 0.00 179.01 177.06 2dgx h LEU 571 N 0.00 0.20 -1.60 1.64 3.38 0.13 -2.59 115.31 116.47 2dgx h LEU 571 Ca -0.02 -0.84 0.02 0.00 0.09 0.00 0.00 57.88 57.12 2dgx h LEU 571 Cb 1.16 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 2dgx h LEU 571 CO 0.02 1.36 0.30 0.06 0.09 0.00 0.00 178.44 180.27 2dgx h GLN 572 N -0.68 0.52 0.01 1.13 3.07 -0.85 -0.43 115.11 117.89 2dgx h GLN 572 Ca -0.19 -0.03 -0.03 0.00 0.09 0.00 0.00 58.65 58.48 2dgx h GLN 572 Cb 1.41 -0.12 0.00 0.00 0.08 0.00 0.00 27.48 28.85 2dgx h GLN 572 CO 0.00 0.35 -0.14 -0.56 0.09 0.00 0.00 178.83 178.57 2dgx h GLN 573 N 0.54 0.07 0.43 0.06 3.07 -1.68 -3.14 115.11 114.47 2dgx h GLN 573 Ca 0.18 -0.10 -0.01 0.00 0.09 0.00 0.00 58.65 58.81 2dgx h GLN 573 Cb 0.04 0.03 -0.02 0.00 0.08 0.00 0.00 27.48 27.61 2dgx h GLN 573 CO -0.04 0.94 -0.39 -0.07 0.09 0.00 0.00 178.83 179.36 2dgx h LEU 574 N -0.75 -1.05 -0.72 0.06 3.38 -1.20 -2.06 115.31 112.97 2dgx h LEU 574 Ca -0.02 0.08 0.16 0.00 0.09 0.00 0.00 57.88 58.19 2dgx h LEU 574 Cb 1.00 0.35 -0.13 0.00 0.09 0.00 0.00 40.66 41.97 2dgx h LEU 574 CO 0.03 -0.55 -0.03 -0.07 0.09 0.00 0.00 178.44 177.90 2dgx h LEU 575 N -0.83 -0.40 -0.81 1.67 3.38 -1.23 0.20 115.31 117.29 2dgx h LEU 575 Ca -0.04 0.19 0.08 0.00 0.09 0.00 0.00 57.88 58.21 2dgx h LEU 575 Cb 0.73 0.35 -0.07 0.00 0.09 0.00 0.00 40.66 41.76 2dgx h LEU 575 CO -0.04 -0.18 0.46 -0.61 0.09 0.00 0.00 178.44 178.16 2dgx h GLN 576 N 0.08 0.78 0.03 1.13 4.15 -1.42 -1.93 115.11 117.93 2dgx h GLN 576 Ca 0.38 -0.05 0.02 0.00 0.77 0.00 0.00 58.65 59.78 2dgx h GLN 576 Cb 0.65 -0.18 -0.03 0.00 0.21 0.00 0.00 27.48 28.13 2dgx h GLN 576 CO -0.66 0.52 -0.19 0.93 -1.93 0.00 0.00 178.83 177.50 2dgx h GLU 577 N 0.80 -0.31 0.54 1.69 4.39 0.09 0.16 114.58 121.94 2dgx h GLU 577 Ca 0.38 0.02 -0.02 0.00 0.34 0.00 0.00 59.36 60.08 2dgx h GLU 577 Cb 0.30 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.01 2dgx h GLU 577 CO -0.23 -0.21 -0.47 0.00 -1.16 0.00 0.00 179.01 176.95 2dgx h ALA 578 N 0.56 -1.16 -0.41 3.43 0.00 -0.95 -1.40 119.26 119.33 2dgx h ALA 578 Ca 0.05 -0.19 0.12 0.00 0.00 0.00 0.00 54.91 54.89 2dgx h ALA 578 Cb 0.38 0.68 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 2dgx h ALA 578 CO -0.16 -1.17 0.36 0.74 0.00 0.00 0.00 179.25 179.02 2dgx h PHE 579 N -0.99 0.00 -0.23 0.00 0.04 -1.28 0.84 116.94 115.32 2dgx h PHE 579 Ca -0.07 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.55 2dgx h PHE 579 Cb 0.84 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.98 2dgx h PHE 579 CO -0.21 0.00 -0.47 0.00 -0.60 0.00 0.00 178.31 177.03 2dgx h ALA 580 N 1.66 0.75 0.00 2.45 0.00 0.26 -2.54 119.26 121.84 2dgx h ALA 580 Ca 0.20 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2dgx h ALA 580 Cb 0.92 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2dgx h ALA 580 CO -0.00 0.67 0.00 0.00 0.00 0.00 0.00 179.25 179.92 2dgx h ARG 581 N 0.48 0.00 0.00 0.00 3.08 0.19 -3.20 114.38 114.93 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 1.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.05 2dgx h ARG 581 CO 0.09 0.00 -0.26 0.72 -1.07 0.00 0.00 179.97 179.45 2dgx n HIS 582 N -2.73 0.16 0.00 3.04 8.25 -1.05 -5.08 115.22 117.81 2dgx n HIS 582 Ca -0.02 0.07 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 2dgx n HIS 582 Cb 0.06 -0.30 0.00 0.00 1.12 0.00 0.00 29.99 30.87 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 1.59 2.66 2.77 -1.41 0.00 -0.98 -5.06 105.19 104.76 2dgx n GLY 583 Ca -0.04 -0.20 -0.26 0.00 0.00 0.00 0.00 46.02 45.52 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 2.90 0.75 0.09 1.61 2.47 -1.26 -4.67 119.74 121.63 2dgx s LYS 584 Ca 0.00 -0.28 -0.31 0.00 -1.56 0.00 0.00 55.97 53.82 2dgx s LYS 584 Cb 0.00 -1.78 -0.08 0.00 -1.46 0.00 0.00 37.83 34.51 2dgx s LYS 584 CO 0.00 -0.52 1.58 0.08 0.16 0.00 0.00 175.35 176.66 2dgx s VAL 585 N 1.86 3.01 -0.14 4.02 1.01 -1.26 -1.35 120.40 127.56 2dgx s VAL 585 Ca 0.01 0.57 -0.14 0.00 0.00 0.00 0.00 61.98 62.43 2dgx s VAL 585 Cb -0.15 -3.37 -0.25 0.00 0.00 0.00 0.00 36.38 32.61 2dgx s VAL 585 CO -0.07 0.01 0.40 0.50 0.00 0.00 0.00 175.10 175.94 2dgx h LYS 586 N 7.73 0.19 -2.08 2.72 3.64 -0.68 -3.44 116.57 124.65 2dgx h LYS 586 Ca -0.42 -0.33 0.22 0.00 -1.27 0.00 0.00 60.65 58.85 2dgx h LYS 586 Cb 1.20 0.12 -0.10 0.00 -0.41 0.00 0.00 32.23 33.05 2dgx h LYS 586 CO 0.92 1.16 0.58 0.45 -2.27 0.00 0.00 179.45 180.29 2dgx s SER 587 N -6.99 -0.15 -0.03 4.20 0.15 -0.90 -4.95 113.70 105.02 2dgx s SER 587 Ca -0.23 -0.31 -0.01 0.00 0.70 0.00 0.00 55.95 56.10 2dgx s SER 587 Cb 0.06 0.39 0.03 0.00 -1.71 0.00 0.00 66.02 64.79 2dgx s SER 587 CO 0.72 -0.72 0.05 -0.69 1.20 0.00 0.00 173.24 173.80 2dgx s VAL 588 N -3.03 -0.08 -0.06 4.45 1.01 -1.26 0.33 120.40 121.75 2dgx s VAL 588 Ca 0.12 0.34 0.06 0.00 0.00 0.00 0.00 61.98 62.50 2dgx s VAL 588 Cb 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 36.38 36.25 2dgx s VAL 588 CO 0.00 0.14 -0.24 -1.61 0.00 0.00 0.00 175.10 173.39 2dgx s GLU 589 N 1.69 2.57 0.05 2.72 2.02 -0.63 -5.01 118.70 122.11 2dgx s GLU 589 Ca -0.01 -0.88 0.07 0.00 0.02 0.00 0.00 54.97 54.17 2dgx s GLU 589 Cb -0.12 -2.14 -0.03 0.00 0.10 0.00 0.00 34.13 31.94 2dgx s GLU 589 CO -0.03 0.34 -0.16 -0.51 0.02 0.00 0.00 175.26 174.92 2dgx s LEU 590 N -0.06 2.74 0.39 1.80 1.43 -1.26 -1.24 118.68 122.48 2dgx s LEU 590 Ca -0.06 -0.40 -0.13 0.00 -1.03 0.00 0.00 54.13 52.51 2dgx s LEU 590 Cb -0.14 -1.60 -0.08 0.00 0.03 0.00 0.00 46.19 44.40 2dgx s LEU 590 CO 0.04 0.24 0.79 -0.94 0.23 0.00 0.00 176.35 176.71 2dgx s SER 591 N -1.61 6.64 0.29 2.29 1.04 -0.83 -4.97 113.70 116.55 2dgx s SER 591 Ca 0.16 1.25 0.25 0.00 0.48 0.00 0.00 55.95 58.09 2dgx s SER 591 Cb -0.11 -2.37 1.03 0.00 0.10 0.00 0.00 66.02 64.68 2dgx s SER 591 CO 0.07 -0.35 1.74 1.55 0.98 0.00 0.00 173.24 177.24 2dgx h PRO 592 N 1.61 0.00 -6.35 4.02 0.13 -1.96 -3.45 132.00 126.00 2dgx h PRO 592 Ca -0.47 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.08 2dgx h PRO 592 Cb 1.18 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.34 2dgx h PRO 592 CO 0.64 0.00 1.11 0.72 -0.23 0.00 0.00 178.00 180.24 2dgx n HIS 593 N -2.33 2.42 -1.77 1.56 8.25 -1.26 -4.88 115.22 117.21 2dgx n HIS 593 Ca 0.02 -0.11 -0.30 0.00 -0.26 0.00 0.00 57.72 57.07 2dgx n HIS 593 Cb 0.23 -2.71 0.04 0.00 1.12 0.00 0.00 29.99 28.68 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 5.04 3.05 -3.69 1.59 5.66 -1.26 -4.51 114.28 120.16 2dgx n THR 594 Ca 0.21 -3.75 -0.08 0.00 -3.05 0.00 0.00 64.05 57.38 2dgx n THR 594 Cb 0.34 -1.17 0.00 0.00 -1.55 0.00 0.00 70.33 67.96 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 -0.77 -1.32 -0.64 1.09 9.92 -1.26 -4.99 116.55 118.58 2dgx n ASP 595 Ca 0.52 -2.18 0.48 0.00 -0.53 0.00 0.00 54.79 53.08 2dgx n ASP 595 Cb 0.76 2.27 0.74 0.00 -0.64 0.00 0.00 41.12 44.26 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 -0.38 0.01 -0.45 1.24 4.11 -1.26 0.97 117.16 121.40 2dgx n TYR 596 Ca -0.03 0.01 -0.06 0.00 -0.00 0.00 0.00 57.90 57.81 2dgx n TYR 596 Cb 0.41 -0.46 0.02 0.00 -0.00 0.00 0.00 39.34 39.30 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 -3.75 1.31 -3.27 -3.48 1.13 -1.26 -4.81 117.38 103.25 2dgx n GLN 597 Ca 0.40 -0.63 -0.40 0.00 -1.94 0.00 0.00 57.00 54.43 2dgx n GLN 597 Cb 1.83 -1.25 -0.08 0.00 0.11 0.00 0.00 30.24 30.85 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 -0.73 4.07 0.36 1.08 2.96 0.27 -4.65 118.68 122.05 2dgx s LEU 598 Ca 0.12 0.42 0.04 0.00 -0.22 0.00 0.00 54.13 54.49 2dgx s LEU 598 Cb 0.10 -2.60 -0.05 0.00 0.50 0.00 0.00 46.19 44.14 2dgx s LEU 598 CO 0.00 -0.28 0.07 -0.54 -1.32 0.00 0.00 176.35 174.28 2dgx s LYS 599 N 2.26 1.77 0.14 1.98 -0.14 -1.26 -3.79 119.74 120.70 2dgx s LYS 599 Ca 0.19 -2.02 -0.24 0.00 -1.36 0.00 0.00 55.97 52.54 2dgx s LYS 599 Cb -0.16 -0.85 0.07 0.00 -1.68 0.00 0.00 37.83 35.21 2dgx s LYS 599 CO 0.10 -0.27 0.72 0.00 -0.76 0.00 0.00 175.35 175.13 2dgx s ALA 600 N -3.24 -1.60 -0.14 5.17 0.00 0.54 -1.97 121.76 120.52 2dgx s ALA 600 Ca 0.31 0.47 -0.01 0.00 0.00 0.00 0.00 51.96 52.73 2dgx s ALA 600 Cb 0.07 0.75 0.04 0.00 0.00 0.00 0.00 23.12 23.97 2dgx s ALA 600 CO 0.15 -0.81 -0.03 0.08 0.00 0.00 0.00 175.76 175.14 2dgx s VAL 601 N -3.59 0.83 -0.24 0.00 1.01 -0.37 0.33 120.40 118.37 2dgx s VAL 601 Ca 0.04 -0.38 -0.15 0.00 0.00 0.00 0.00 61.98 61.49 2dgx s VAL 601 Cb -0.02 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 2dgx s VAL 601 CO -0.08 0.15 0.38 -0.69 0.00 0.00 0.00 175.10 174.86 2dgx s VAL 602 N 1.76 5.19 0.07 2.92 1.01 -0.04 -1.60 120.40 129.70 2dgx s VAL 602 Ca 0.02 0.62 -0.19 0.00 0.00 0.00 0.00 61.98 62.43 2dgx s VAL 602 Cb -0.14 -3.71 -0.07 0.00 0.00 0.00 0.00 36.38 32.46 2dgx s VAL 602 CO -0.07 0.20 0.56 -1.10 0.00 0.00 0.00 175.10 174.69 2dgx s GLN 603 N 1.73 4.19 0.20 2.72 1.11 0.15 -0.95 119.66 128.81 2dgx s GLN 603 Ca 0.16 0.72 0.10 0.00 0.01 0.00 0.00 55.36 56.35 2dgx s GLN 603 Cb -0.15 -3.24 -0.04 0.00 -1.01 0.00 0.00 33.01 28.57 2dgx s GLN 603 CO 0.09 0.64 -0.19 -1.64 0.01 0.00 0.00 175.29 174.20 2dgx s MET 604 N -1.11 1.42 -0.12 2.91 -1.94 -0.11 -0.01 119.30 120.34 2dgx s MET 604 Ca 0.29 -1.54 -0.15 0.00 -1.71 0.00 0.00 55.69 52.58 2dgx s MET 604 Cb -0.19 -1.50 -0.13 0.00 2.01 0.00 0.00 34.83 35.01 2dgx s MET 604 CO 0.19 0.30 0.41 0.93 -0.01 0.00 0.00 175.02 176.84 2dgx h GLU 605 N 2.93 -0.02 -5.84 2.03 5.08 -1.51 -3.23 114.58 114.02 2dgx h GLU 605 Ca -0.42 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.36 2dgx h GLU 605 Cb 1.22 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.40 2dgx h GLU 605 CO 0.54 0.48 -0.15 1.21 -1.00 0.00 0.00 179.01 180.09 2dgx s ASN 606 N -5.86 6.74 0.09 1.42 2.47 -1.26 -4.74 114.94 113.80 2dgx s ASN 606 Ca -0.10 0.88 -0.27 0.00 0.42 0.00 0.00 52.86 53.79 2dgx s ASN 606 Cb -0.01 -2.28 -0.14 0.00 -1.45 0.00 0.00 41.25 37.36 2dgx s ASN 606 CO 0.35 0.11 1.68 0.25 -3.72 0.00 0.00 177.10 175.76 2dgx h LEU 607 N 6.04 -0.44 -1.01 3.21 7.12 -1.93 -2.61 115.31 125.69 2dgx h LEU 607 Ca -0.44 0.03 0.07 0.00 0.13 0.00 0.00 57.88 57.66 2dgx h LEU 607 Cb 1.19 0.14 -0.07 0.00 -0.53 0.00 0.00 40.66 41.39 2dgx h LEU 607 CO 0.71 -0.28 0.65 -0.61 -0.13 0.00 0.00 178.44 178.78 2dgx h GLN 608 N -0.43 1.14 -0.86 1.25 4.15 -2.01 -1.09 115.11 117.27 2dgx h GLN 608 Ca -0.02 -0.07 0.19 0.00 0.77 0.00 0.00 58.65 59.52 2dgx h GLN 608 Cb 0.36 -0.26 -0.06 0.00 0.21 0.00 0.00 27.48 27.74 2dgx h GLN 608 CO 0.01 0.76 0.57 -0.44 -1.93 0.00 0.00 178.83 177.80 2dgx h ASP 609 N 1.18 0.38 -0.00 -0.69 3.32 -1.88 -1.71 116.42 117.01 2dgx h ASP 609 Ca 0.43 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.51 2dgx h ASP 609 Cb 0.17 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.68 2dgx h ASP 609 CO -0.17 0.16 -0.03 0.00 -1.72 0.00 0.00 179.24 177.48 2dgx h ALA 610 N 1.62 0.01 -0.80 3.45 0.00 -1.02 -2.30 119.26 120.22 2dgx h ALA 610 Ca 0.44 -0.35 0.09 0.00 0.00 0.00 0.00 54.91 55.08 2dgx h ALA 610 Cb 1.10 -0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.78 2dgx h ALA 610 CO -0.15 -0.13 -0.54 0.82 0.00 0.00 0.00 179.25 179.25 2dgx h ILE 611 N -0.65 0.01 -0.27 0.00 2.04 -1.05 0.16 117.51 117.76 2dgx h ILE 611 Ca -0.00 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.81 2dgx h ILE 611 Cb 0.71 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 2dgx h ILE 611 CO 0.01 0.00 -0.01 1.23 0.00 0.00 0.00 178.15 179.38 2dgx h GLY 612 N -0.13 0.51 0.31 5.37 0.00 -1.62 -2.79 103.07 104.73 2dgx h GLY 612 Ca 0.16 -0.38 0.24 0.00 0.00 0.00 0.00 47.33 47.35 2dgx h GLY 612 CO -0.83 0.35 0.60 0.00 0.00 0.00 0.00 176.54 176.67 2dgx h ALA 613 N 0.82 2.70 0.08 3.60 0.00 -0.62 0.37 119.26 126.21 2dgx h ALA 613 Ca 0.07 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2dgx h ALA 613 Cb 0.43 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2dgx h ALA 613 CO 0.01 -0.95 -0.04 0.28 0.00 0.00 0.00 179.25 178.55 2dgx h VAL 614 N 0.07 0.00 -0.02 0.00 2.07 -0.49 0.90 116.25 118.77 2dgx h VAL 614 Ca 0.41 -0.28 0.01 0.00 0.82 0.00 0.00 66.70 67.66 2dgx h VAL 614 Cb 1.54 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.31 2dgx h VAL 614 CO -0.03 0.00 0.20 0.78 0.02 0.00 0.00 177.57 178.54 2dgx h ASN 615 N -0.39 0.00 0.00 0.57 2.35 -1.24 0.71 115.58 117.58 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 -0.37 0.28 -1.65 0.00 0.00 177.43 175.71 2dgx h SER 616 N 0.00 0.00 0.54 5.81 0.02 -0.34 -3.36 113.55 116.22 2dgx h SER 616 Ca 0.01 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2dgx h SER 616 Cb 0.42 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.96 2dgx h SER 616 CO -0.00 0.69 0.00 -0.07 -1.14 0.00 0.00 176.83 176.31 2dgx h LEU 617 N -1.00 0.00 -8.07 5.07 3.38 -0.50 -3.46 115.31 110.73 2dgx h LEU 617 Ca -0.00 0.00 -0.76 0.00 0.09 0.00 0.00 57.88 57.20 2dgx h LEU 617 Cb 0.38 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.15 2dgx h LEU 617 CO -0.00 0.00 0.43 1.57 0.09 0.00 0.00 178.44 180.53 2dgx n HIS 618 N -2.35 1.24 -3.00 1.13 -0.00 0.25 0.16 115.22 112.65 2dgx n HIS 618 Ca 0.01 1.00 -0.22 0.00 0.46 0.00 0.00 57.72 58.98 2dgx n HIS 618 Cb 0.18 -1.96 0.04 0.00 -0.12 0.00 0.00 29.99 28.13 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 2.84 -4.80 -1.81 1.57 5.12 0.20 -4.89 116.66 114.89 2dgx n ARG 619 Ca 0.25 0.89 -0.43 0.00 -1.93 0.00 0.00 57.85 56.62 2dgx n ARG 619 Cb -0.01 -5.69 -0.03 0.00 -1.16 0.00 0.00 32.46 25.57 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 -3.17 1.55 -0.72 -1.55 5.04 0.43 -4.57 117.35 114.38 2dgx s TYR 620 Ca 0.30 0.18 -0.25 0.00 -2.44 0.00 0.00 57.07 54.86 2dgx s TYR 620 Cb -0.13 -4.05 -0.14 0.00 0.35 0.00 0.00 41.96 37.98 2dgx s TYR 620 CO 0.37 -4.21 2.44 1.17 -1.34 0.00 0.00 175.55 173.98 2dgx n LYS 621 N 7.90 0.61 -4.40 4.97 3.00 -1.26 -3.06 118.16 125.92 2dgx n LYS 621 Ca 0.22 -0.23 -0.23 0.00 -0.00 0.00 0.00 58.31 58.07 2dgx n LYS 621 Cb 0.44 -2.91 -0.11 0.00 0.00 0.00 0.00 35.03 32.45 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 11.09 2.14 0.00 3.15 1.01 -1.20 -5.03 121.20 132.36 2dgx s ILE 622 Ca 1.07 -2.18 0.00 0.00 0.00 0.00 0.00 60.65 59.54 2dgx s ILE 622 Cb -0.43 -2.11 0.00 0.00 0.01 0.00 0.00 42.46 39.94 2dgx s ILE 622 CO 0.29 -0.37 0.00 0.61 0.00 0.00 0.00 174.94 175.46 2dgx n GLY 623 N -0.20 1.43 0.12 6.18 0.00 -1.26 -1.23 105.19 110.23 2dgx n GLY 623 Ca -0.09 0.34 0.06 0.00 0.00 0.00 0.00 46.02 46.33 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 2.21 1.79 -3.73 1.61 2.88 -1.26 -5.04 113.62 112.08 2dgx n SER 624 Ca 0.00 -2.61 -0.14 0.00 -1.33 0.00 0.00 58.87 54.80 2dgx n SER 624 Cb 0.00 -0.29 -0.09 0.00 -0.75 0.00 0.00 64.21 63.08 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 -1.92 0.67 -0.13 -1.46 1.02 -0.36 -4.98 119.74 112.58 2dgx s LYS 625 Ca 0.19 -0.00 -0.29 0.00 0.02 0.00 0.00 55.97 55.88 2dgx s LYS 625 Cb 0.17 0.31 -0.01 0.00 -0.52 0.00 0.00 37.83 37.78 2dgx s LYS 625 CO 0.02 -0.18 1.03 0.15 -0.92 0.00 0.00 175.35 175.46 2dgx s LYS 626 N -1.03 4.38 0.03 1.68 3.01 -1.26 -3.26 119.74 123.30 2dgx s LYS 626 Ca -0.11 1.41 -0.26 0.00 -1.01 0.00 0.00 55.97 56.00 2dgx s LYS 626 Cb -0.04 -3.57 -0.05 0.00 -1.01 0.00 0.00 37.83 33.16 2dgx s LYS 626 CO 0.04 -0.40 0.82 0.96 0.51 0.00 0.00 175.35 177.28 2dgx s ILE 627 N 2.31 4.75 -0.33 2.17 -4.36 -1.17 -4.69 121.20 119.88 2dgx s ILE 627 Ca 0.48 1.73 -0.12 0.00 -0.26 0.00 0.00 60.65 62.49 2dgx s ILE 627 Cb -0.18 -4.17 -0.01 0.00 1.25 0.00 0.00 42.46 39.35 2dgx s ILE 627 CO 0.16 0.31 0.21 -0.76 0.24 0.00 0.00 174.94 175.10 2dgx s LEU 628 N 0.21 4.42 0.13 0.37 1.43 0.68 0.61 118.68 126.53 2dgx s LEU 628 Ca 0.42 -0.49 -0.06 0.00 -1.03 0.00 0.00 54.13 52.97 2dgx s LEU 628 Cb -0.21 -2.09 -0.06 0.00 0.03 0.00 0.00 46.19 43.87 2dgx s LEU 628 CO 0.24 -0.23 0.38 -0.69 0.23 0.00 0.00 176.35 176.28 2dgx s VAL 629 N 1.68 5.15 -0.28 -1.59 1.01 -1.26 -1.56 120.40 123.55 2dgx s VAL 629 Ca 0.05 0.11 -0.24 0.00 0.00 0.00 0.00 61.98 61.90 2dgx s VAL 629 Cb -0.17 -3.62 0.09 0.00 0.00 0.00 0.00 36.38 32.68 2dgx s VAL 629 CO 0.09 0.08 0.85 -0.44 0.00 0.00 0.00 175.10 175.68 2dgx s SER 630 N -2.32 -0.63 0.68 3.32 0.01 0.11 -4.86 113.70 110.02 2dgx s SER 630 Ca 0.40 1.20 -0.13 0.00 1.31 0.00 0.00 55.95 58.72 2dgx s SER 630 Cb -0.12 1.22 0.01 0.00 0.21 0.00 0.00 66.02 67.34 2dgx s SER 630 CO 0.23 -0.21 1.09 -0.76 0.41 0.00 0.00 173.24 174.01 2dgx s LEU 631 N 0.40 3.28 -0.04 2.44 1.43 -1.26 0.13 118.68 125.06 2dgx s LEU 631 Ca 0.01 1.87 0.04 0.00 -1.03 0.00 0.00 54.13 55.01 2dgx s LEU 631 Cb -0.05 -4.53 -0.00 0.00 0.03 0.00 0.00 46.19 41.64 2dgx s LEU 631 CO -0.03 -1.62 -0.15 0.00 0.23 0.00 0.00 176.35 174.78 2dgx s ALA 632 N -2.61 1.32 -0.18 4.21 0.00 -0.68 -4.66 121.76 119.16 2dgx s ALA 632 Ca 0.64 -0.58 -0.00 0.00 0.00 0.00 0.00 51.96 52.01 2dgx s ALA 632 Cb -0.18 -0.44 0.04 0.00 0.00 0.00 0.00 23.12 22.54 2dgx s ALA 632 CO 0.46 0.24 -0.06 0.99 0.00 0.00 0.00 175.76 177.40 2dgx s THR 633 N 0.06 1.18 -0.62 0.00 2.01 -1.26 -4.57 115.64 112.45 2dgx s THR 633 Ca -0.03 -0.71 0.06 0.00 0.31 0.00 0.00 61.69 61.32 2dgx s THR 633 Cb -0.10 -1.36 0.22 0.00 0.01 0.00 0.00 72.50 71.27 2dgx s THR 633 CO 0.01 0.11 0.63 0.61 -0.69 0.00 0.00 174.62 175.29 2dgx n GLY 634 N 4.84 4.24 3.14 4.40 0.00 -1.26 -5.06 105.19 115.50 2dgx n GLY 634 Ca -0.12 -2.52 -0.26 0.00 0.00 0.00 0.00 46.02 43.12 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 -1.92 1.53 0.33 4.61 0.00 -1.26 -4.95 121.76 120.10 2dgx s ALA 635 Ca 0.35 -0.71 -0.07 0.00 0.00 0.00 0.00 51.96 51.52 2dgx s ALA 635 Cb 0.09 -0.49 -0.06 0.00 0.00 0.00 0.00 23.12 22.67 2dgx s ALA 635 CO -0.08 0.30 0.63 -1.12 0.00 0.00 0.00 175.76 175.49 2dgx s SER 636 N -0.05 6.49 -0.01 0.00 0.01 -1.26 -5.04 113.70 113.85 2dgx s SER 636 Ca -0.02 0.88 -0.22 0.00 1.31 0.00 0.00 55.95 57.91 2dgx s SER 636 Cb -0.11 -2.22 -0.12 0.00 0.21 0.00 0.00 66.02 63.78 2dgx s SER 636 CO 0.02 -0.26 0.92 1.23 0.41 0.00 0.00 173.24 175.56 2dgx h GLY 637 N 1.60 -0.80 0.73 3.44 0.00 -2.01 -3.13 103.07 102.90 2dgx h GLY 637 Ca -0.47 0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.15 2dgx h GLY 637 CO 0.65 -0.29 0.00 -1.55 0.00 0.00 0.00 176.54 175.35 2dgx n PRO 638 N -5.29 0.49 -4.52 4.80 -0.04 -1.26 -4.65 135.00 124.52 2dgx n PRO 638 Ca -0.10 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.03 2dgx n PRO 638 Cb 0.31 -1.36 -0.12 0.00 -0.04 0.00 0.00 33.50 32.28 2dgx n PRO 638 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2dgx s SER 639 N -1.87 4.66 1.12 3.54 0.01 -1.18 -5.11 113.70 114.86 2dgx s SER 639 Ca 0.17 -0.11 -0.12 0.00 1.31 0.00 0.00 55.95 57.19 2dgx s SER 639 Cb 0.08 -1.57 0.26 0.00 0.21 0.00 0.00 66.02 65.00 2dgx s SER 639 CO 0.13 0.23 1.05 -0.94 0.41 0.00 0.00 173.24 174.12 2dgx s SER 640 N -0.03 1.42 0.00 2.44 1.04 -1.26 -4.57 113.70 112.73 2dgx s SER 640 Ca 0.00 1.50 0.00 0.00 0.48 0.00 0.00 55.95 57.94 2dgx s SER 640 Cb -0.13 -2.24 0.00 0.00 0.10 0.00 0.00 66.02 63.74 2dgx s SER 640 CO 0.03 -3.93 0.00 0.61 0.98 0.00 0.00 173.24 170.93