#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hcr s LYS 566 N 0.00 3.21 0.26 -0.14 1.02 -1.26 -4.98 119.74 117.85 3hcr s LYS 566 Ca 0.00 1.50 -0.30 0.00 0.02 0.00 0.00 55.97 57.19 3hcr s LYS 566 Cb 0.00 -2.00 -0.10 0.00 -0.52 0.00 0.00 37.83 35.21 3hcr s LYS 566 CO 0.00 -0.94 1.45 -1.25 -0.92 0.00 0.00 175.35 173.69 3hcr s PRO 567 N -3.58 4.25 -0.12 -1.68 0.04 -1.26 -4.59 135.00 128.07 3hcr s PRO 567 Ca 0.70 2.33 -0.10 0.00 0.04 0.00 0.00 61.00 63.97 3hcr s PRO 567 Cb -0.22 -3.10 -0.03 0.00 0.04 0.00 0.00 34.50 31.19 3hcr s PRO 567 CO 0.31 -0.43 -0.20 1.17 0.04 0.00 0.00 177.00 177.89 3hcr n LYS 568 N 2.25 0.37 -3.76 4.56 4.81 -0.48 -4.53 118.16 121.38 3hcr n LYS 568 Ca 0.07 0.32 -0.37 0.00 -0.87 0.00 0.00 58.31 57.45 3hcr n LYS 568 Cb 0.40 -1.34 -0.13 0.00 0.02 0.00 0.00 35.03 33.98 3hcr n LYS 568 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 3hcr s THR 569 N -2.18 4.13 -0.08 3.15 2.01 -0.82 -1.27 115.64 120.57 3hcr s THR 569 Ca -0.16 -0.42 -0.10 0.00 0.31 0.00 0.00 61.69 61.32 3hcr s THR 569 Cb 0.02 -3.02 -0.05 0.00 0.01 0.00 0.00 72.50 69.47 3hcr s THR 569 CO 0.24 0.22 0.23 -0.83 -0.69 0.00 0.00 174.62 173.80 3hcr s GLY 570 N 1.56 2.26 -0.31 4.40 0.00 -0.06 -2.04 107.32 113.13 3hcr s GLY 570 Ca 0.05 -0.50 0.03 0.00 0.00 0.00 0.00 44.72 44.30 3hcr s GLY 570 CO 0.03 -0.18 0.00 -0.42 0.00 0.00 0.00 173.10 172.53 3hcr s ILE 571 N -0.99 2.37 -0.35 0.90 1.09 -0.02 -1.14 121.20 123.05 3hcr s ILE 571 Ca 0.18 -2.01 -0.24 0.00 -1.10 0.00 0.00 60.65 57.48 3hcr s ILE 571 Cb -0.14 -2.59 0.01 0.00 -1.06 0.00 0.00 42.46 38.68 3hcr s ILE 571 CO 0.07 -0.37 0.83 -0.22 -0.10 0.00 0.00 174.94 175.15 3hcr s LEU 572 N 1.01 4.08 -0.38 2.97 2.96 -0.15 -1.14 118.68 128.04 3hcr s LEU 572 Ca 0.03 0.52 -0.20 0.00 -0.22 0.00 0.00 54.13 54.25 3hcr s LEU 572 Cb -0.20 -3.12 0.01 0.00 0.50 0.00 0.00 46.19 43.38 3hcr s LEU 572 CO -0.06 -0.74 0.61 -0.04 -1.32 0.00 0.00 176.35 174.80 3hcr s MET 573 N 3.18 3.53 -0.11 1.98 -1.94 0.11 -0.29 119.30 125.77 3hcr s MET 573 Ca 0.34 -0.13 -0.13 0.00 -1.71 0.00 0.00 55.69 54.05 3hcr s MET 573 Cb -0.13 -3.86 -0.05 0.00 2.01 0.00 0.00 34.83 32.81 3hcr s MET 573 CO 0.16 -0.81 0.30 -0.51 -0.01 0.00 0.00 175.02 174.16 3hcr s LEU 574 N 2.67 4.32 0.20 -0.03 1.43 -0.51 -0.72 118.68 126.05 3hcr s LEU 574 Ca 0.23 0.62 -0.23 0.00 -1.03 0.00 0.00 54.13 53.72 3hcr s LEU 574 Cb -0.15 -2.39 0.05 0.00 0.03 0.00 0.00 46.19 43.73 3hcr s LEU 574 CO 0.16 0.20 0.82 0.21 0.23 0.00 0.00 176.35 177.96 3hcr s ASN 575 N -0.13 -0.26 0.44 2.29 3.84 -1.15 -1.07 114.94 118.90 3hcr s ASN 575 Ca 0.18 -0.44 0.24 0.00 0.21 0.00 0.00 52.86 53.05 3hcr s ASN 575 Cb -0.14 0.60 0.45 0.00 -0.55 0.00 0.00 41.25 41.62 3hcr s ASN 575 CO 0.06 -1.09 1.65 0.00 -2.79 0.00 0.00 177.10 174.93 3hcr h MET 576 N 2.00 0.00 0.00 0.43 -0.00 -1.94 -0.42 114.93 115.00 3hcr h MET 576 Ca -0.22 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.48 3hcr h MET 576 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.85 3hcr h MET 576 CO 0.26 0.00 0.00 0.41 -0.00 0.00 0.00 176.91 177.58 3hcr n GLY 577 N 1.02 -1.08 3.61 -3.00 0.00 -1.26 -2.27 105.19 102.20 3hcr n GLY 577 Ca 0.04 -1.22 -0.05 0.00 0.00 0.00 0.00 46.02 44.78 3hcr n GLY 577 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hcr s GLY 578 N -1.04 -0.11 0.07 -0.02 0.00 -1.26 -4.97 107.32 99.98 3hcr s GLY 578 Ca 0.00 2.30 -0.31 0.00 0.00 0.00 0.00 44.72 46.71 3hcr s GLY 578 CO 0.00 0.96 1.89 -1.55 0.00 0.00 0.00 173.10 174.40 3hcr n PRO 579 N 0.47 2.73 -0.21 2.90 -0.04 -1.26 -4.75 135.00 134.84 3hcr n PRO 579 Ca -0.04 1.00 -0.08 0.00 -0.04 0.00 0.00 63.50 64.34 3hcr n PRO 579 Cb 0.58 -2.91 0.02 0.00 -0.04 0.00 0.00 33.50 31.16 3hcr n PRO 579 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 3hcr h GLU 580 N 9.33 0.90 -5.03 0.54 4.81 -1.91 0.54 114.58 123.76 3hcr h GLU 580 Ca -0.48 -0.19 -0.47 0.00 -0.13 0.00 0.00 59.36 58.09 3hcr h GLU 580 Cb 1.24 -0.13 -0.14 0.00 0.63 0.00 0.00 28.75 30.35 3hcr h GLU 580 CO 0.94 0.81 -0.57 0.95 -0.73 0.00 0.00 179.01 180.41 3hcr s THR 581 N -5.41 0.70 0.00 0.32 -4.23 -1.26 -4.08 115.64 101.69 3hcr s THR 581 Ca -0.13 -2.00 0.31 0.00 -1.18 0.00 0.00 61.69 58.69 3hcr s THR 581 Cb 0.13 -2.56 0.33 0.00 1.34 0.00 0.00 72.50 71.74 3hcr s THR 581 CO 0.80 0.00 1.93 -0.07 -0.54 0.00 0.00 174.62 176.75 3hcr h LEU 582 N 2.07 0.00 -0.61 4.79 3.38 -1.82 -2.32 115.31 120.80 3hcr h LEU 582 Ca -0.37 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.45 3hcr h LEU 582 Cb 1.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 3hcr h LEU 582 CO 0.60 0.00 -0.65 1.23 0.09 0.00 0.00 178.44 179.71 3hcr h GLY 583 N 1.27 0.22 1.28 0.83 0.00 -1.95 -3.10 103.07 101.62 3hcr h GLY 583 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.04 3hcr h GLY 583 CO 0.00 0.26 0.00 1.22 0.00 0.00 0.00 176.54 178.02 3hcr n ASP 584 N -3.83 0.00 0.17 0.19 8.00 -0.87 -4.21 116.55 116.00 3hcr n ASP 584 Ca -0.02 -0.49 -0.14 0.00 0.71 0.00 0.00 54.79 54.85 3hcr n ASP 584 Cb 0.65 -0.14 -0.07 0.00 -0.02 0.00 0.00 41.12 41.54 3hcr n ASP 584 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3hcr h VAL 585 N 0.00 0.50 -0.74 2.53 2.07 -1.64 -2.72 116.25 116.25 3hcr h VAL 585 Ca 0.00 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.65 3hcr h VAL 585 Cb 0.12 0.50 -0.09 0.00 -1.52 0.00 0.00 31.29 30.30 3hcr h VAL 585 CO 0.00 0.00 0.31 -0.74 0.02 0.00 0.00 177.57 177.16 3hcr h HIS 586 N -0.50 0.54 0.00 1.57 -0.00 -1.83 -0.57 115.15 114.36 3hcr h HIS 586 Ca -0.01 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 3hcr h HIS 586 Cb 0.46 -0.13 0.00 0.00 -0.00 0.00 0.00 27.41 27.75 3hcr h HIS 586 CO -0.16 0.10 0.00 -0.25 -0.00 0.00 0.00 177.93 177.63 3hcr n ASP 587 N -4.97 0.74 -0.03 3.26 9.92 -1.20 -1.31 116.55 122.95 3hcr n ASP 587 Ca 0.13 0.60 -0.12 0.00 -0.53 0.00 0.00 54.79 54.88 3hcr n ASP 587 Cb 0.37 -0.79 -0.10 0.00 -0.64 0.00 0.00 41.12 39.96 3hcr n ASP 587 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 3hcr h PHE 588 N 0.00 -0.04 -0.49 1.24 3.57 -0.81 -3.01 116.94 117.40 3hcr h PHE 588 Ca 0.00 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.43 3hcr h PHE 588 Cb 0.61 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.34 3hcr h PHE 588 CO 0.00 0.65 0.02 -0.07 -2.23 0.00 0.00 178.31 176.68 3hcr h LEU 589 N -0.87 0.77 0.46 0.59 3.38 -1.27 -1.69 115.31 116.68 3hcr h LEU 589 Ca -0.00 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 3hcr h LEU 589 Cb 0.71 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 3hcr h LEU 589 CO 0.01 0.82 -0.42 0.25 0.09 0.00 0.00 178.44 179.19 3hcr h LEU 590 N 0.75 -1.12 -1.05 1.67 5.85 -1.29 0.17 115.31 120.31 3hcr h LEU 590 Ca 0.15 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.93 3hcr h LEU 590 Cb 0.42 0.37 -0.03 0.00 0.37 0.00 0.00 40.66 41.79 3hcr h LEU 590 CO 0.02 -0.58 0.34 0.03 -0.34 0.00 0.00 178.44 177.91 3hcr h ARG 591 N -0.88 1.02 0.73 1.25 3.08 -1.49 -2.59 114.38 115.50 3hcr h ARG 591 Ca -0.05 -0.14 -0.03 0.00 0.07 0.00 0.00 59.98 59.83 3hcr h ARG 591 Cb 0.77 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.63 3hcr h ARG 591 CO -0.04 0.78 -0.42 1.25 -1.07 0.00 0.00 179.97 180.48 3hcr h LEU 592 N 1.01 -1.04 0.00 3.04 6.46 -0.80 -2.23 115.31 121.76 3hcr h LEU 592 Ca 0.25 0.05 0.00 0.00 -0.12 0.00 0.00 57.88 58.06 3hcr h LEU 592 Cb 0.10 0.30 0.00 0.00 -0.73 0.00 0.00 40.66 40.33 3hcr h LEU 592 CO -0.03 -0.66 0.00 0.49 -0.62 0.00 0.00 178.44 177.61 3hcr n PHE 593 N -5.56 0.00 0.57 1.25 3.01 0.56 -1.71 117.46 115.56 3hcr n PHE 593 Ca -0.14 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.43 3hcr n PHE 593 Cb 0.45 -0.17 -0.09 0.00 -0.01 0.00 0.00 39.48 39.66 3hcr n PHE 593 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 3hcr n LEU 594 N -1.17 0.58 -4.55 4.37 4.77 -0.88 -4.67 117.00 115.45 3hcr n LEU 594 Ca 0.07 -0.20 -0.39 0.00 -0.03 0.00 0.00 56.01 55.46 3hcr n LEU 594 Cb 0.07 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.10 3hcr n LEU 594 CO 0.08 0.11 1.61 -0.62 -1.33 0.00 0.00 177.39 177.24 3hcr s ASP 595 N -3.73 5.31 0.07 -1.43 3.68 -0.70 -4.84 116.67 115.03 3hcr s ASP 595 Ca 0.02 0.43 0.19 0.00 2.13 0.00 0.00 52.55 55.32 3hcr s ASP 595 Cb 0.15 -2.53 0.78 0.00 -1.45 0.00 0.00 42.92 39.87 3hcr s ASP 595 CO 0.86 -2.33 1.58 0.54 0.13 0.00 0.00 175.17 175.96 3hcr n ARG 596 N 9.11 0.06 0.16 4.34 1.74 -1.24 -1.29 116.66 129.53 3hcr n ARG 596 Ca 0.21 0.26 0.06 0.00 -0.77 0.00 0.00 57.85 57.61 3hcr n ARG 596 Cb 0.52 -1.60 0.06 0.00 -1.02 0.00 0.00 32.46 30.42 3hcr n ARG 596 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 3hcr h ASP 597 N 0.00 0.00 0.11 0.55 3.32 -1.96 -3.31 116.42 115.12 3hcr h ASP 597 Ca 0.00 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.68 3hcr h ASP 597 Cb 0.32 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.85 3hcr h ASP 597 CO 0.00 0.31 -2.08 -0.11 -1.72 0.00 0.00 179.24 175.64 3hcr n LEU 598 N -3.12 2.69 -3.48 1.55 7.94 -0.58 -4.63 117.00 117.37 3hcr n LEU 598 Ca 0.02 0.15 -0.12 0.00 -1.11 0.00 0.00 56.01 54.95 3hcr n LEU 598 Cb 0.67 -1.08 -0.03 0.00 0.53 0.00 0.00 43.42 43.51 3hcr n LEU 598 CO 0.39 0.87 0.52 0.00 -1.11 0.00 0.00 177.39 178.05 3hcr s MET 599 N -2.55 1.05 -0.11 1.96 0.23 -0.41 -4.96 119.30 114.51 3hcr s MET 599 Ca -0.24 -0.23 0.02 0.00 -1.03 0.00 0.00 55.69 54.21 3hcr s MET 599 Cb 0.07 0.49 0.01 0.00 -1.53 0.00 0.00 34.83 33.87 3hcr s MET 599 CO 0.74 -0.43 -0.16 0.99 -2.03 0.00 0.00 175.02 174.13 3hcr s THR 600 N -2.86 1.58 0.22 3.16 2.01 -1.26 -3.74 115.64 114.75 3hcr s THR 600 Ca -0.00 -0.70 0.09 0.00 0.31 0.00 0.00 61.69 61.38 3hcr s THR 600 Cb -0.01 -1.43 -0.05 0.00 0.01 0.00 0.00 72.50 71.03 3hcr s THR 600 CO -0.06 0.46 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.41 3hcr s LEU 601 N 0.89 2.56 0.38 4.42 1.43 -1.26 -5.10 118.68 122.00 3hcr s LEU 601 Ca -0.08 -1.01 -0.25 0.00 -1.03 0.00 0.00 54.13 51.75 3hcr s LEU 601 Cb -0.15 -0.78 -0.09 0.00 0.03 0.00 0.00 46.19 45.20 3hcr s LEU 601 CO -0.00 -0.12 1.10 -2.16 0.23 0.00 0.00 176.35 175.40 3hcr s PRO 602 N -3.56 4.17 -1.27 1.29 0.04 -1.26 -3.09 135.00 131.32 3hcr s PRO 602 Ca 0.24 1.68 -0.05 0.00 0.04 0.00 0.00 61.00 62.91 3hcr s PRO 602 Cb -0.02 -2.67 0.01 0.00 0.04 0.00 0.00 34.50 31.85 3hcr s PRO 602 CO 0.09 -0.17 0.09 0.44 0.04 0.00 0.00 177.00 177.48 3hcr n ILE 603 N 0.14 -1.05 -0.20 0.56 -5.35 -1.26 -4.70 119.36 107.50 3hcr n ILE 603 Ca 0.04 -0.44 -0.02 0.00 -0.27 0.00 0.00 62.75 62.06 3hcr n ILE 603 Cb 0.48 -1.00 0.08 0.00 -1.74 0.00 0.00 39.64 37.46 3hcr n ILE 603 CO 0.00 0.00 0.00 -0.61 -1.76 0.00 0.00 176.55 174.18 3hcr h GLN 604 N -1.44 0.51 0.00 6.28 4.15 -1.96 -1.93 115.11 120.72 3hcr h GLN 604 Ca -0.57 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 58.82 3hcr h GLN 604 Cb 1.19 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.77 3hcr h GLN 604 CO 0.58 0.34 0.16 0.09 -1.93 0.00 0.00 178.83 178.07 3hcr n ASN 605 N -4.89 0.40 -0.03 -0.69 4.13 -1.26 -1.15 115.26 111.77 3hcr n ASN 605 Ca 0.07 0.62 -0.02 0.00 1.68 0.00 0.00 54.58 56.93 3hcr n ASN 605 Cb 0.19 -0.63 -0.06 0.00 -1.54 0.00 0.00 39.78 37.75 3hcr n ASN 605 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 3hcr n LYS 606 N -2.07 2.34 0.09 3.52 5.02 -0.81 -4.57 118.16 121.67 3hcr n LYS 606 Ca -0.01 -0.02 -0.13 0.00 -2.02 0.00 0.00 58.31 56.14 3hcr n LYS 606 Cb 0.19 -1.19 -0.10 0.00 -0.02 0.00 0.00 35.03 33.91 3hcr n LYS 606 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3hcr h LEU 607 N 0.00 0.34 0.64 -0.35 3.38 -0.71 -3.32 115.31 115.29 3hcr h LEU 607 Ca -0.17 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.45 3hcr h LEU 607 Cb 1.28 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 3hcr h LEU 607 CO 0.01 1.21 -0.48 0.00 0.09 0.00 0.00 178.44 179.28 3hcr h ALA 608 N 0.74 -1.15 -0.68 1.53 0.00 -1.39 0.25 119.26 118.56 3hcr h ALA 608 Ca -0.09 -0.21 0.20 0.00 0.00 0.00 0.00 54.91 54.80 3hcr h ALA 608 Cb 1.80 0.63 -0.03 0.00 0.00 0.00 0.00 17.79 20.19 3hcr h ALA 608 CO 0.17 -1.17 0.57 -1.00 0.00 0.00 0.00 179.25 177.82 3hcr h PRO 609 N -1.08 0.00 0.10 0.00 0.13 -1.81 -1.07 132.00 128.28 3hcr h PRO 609 Ca -0.08 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.04 3hcr h PRO 609 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 3hcr h PRO 609 CO 0.03 0.00 -0.05 0.35 -0.23 0.00 0.00 178.00 178.10 3hcr h PHE 610 N 0.00 -0.13 -1.02 1.56 3.57 -1.44 -3.01 116.94 116.47 3hcr h PHE 610 Ca 0.33 -0.00 0.29 0.00 3.53 0.00 0.00 57.97 62.12 3hcr h PHE 610 Cb 1.46 0.04 -0.14 0.00 2.79 0.00 0.00 35.95 40.11 3hcr h PHE 610 CO 0.00 -0.08 0.60 0.82 -2.23 0.00 0.00 178.31 177.42 3hcr h ILE 611 N -0.38 0.39 0.69 1.41 2.04 -0.61 0.19 117.51 121.24 3hcr h ILE 611 Ca -0.01 -0.14 -0.03 0.00 1.00 0.00 0.00 64.86 65.67 3hcr h ILE 611 Cb 0.11 -0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.12 3hcr h ILE 611 CO 0.02 0.08 -0.44 0.00 0.00 0.00 0.00 178.15 177.81 3hcr h ALA 612 N 1.78 -1.10 -0.34 1.87 0.00 -1.31 0.41 119.26 120.56 3hcr h ALA 612 Ca 0.70 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 55.42 3hcr h ALA 612 Cb 1.53 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 19.85 3hcr h ALA 612 CO -0.53 -1.14 0.23 -0.22 0.00 0.00 0.00 179.25 177.59 3hcr h LYS 613 N -1.06 0.33 -0.24 0.00 3.64 -0.96 -1.11 116.57 117.17 3hcr h LYS 613 Ca -0.09 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.23 3hcr h LYS 613 Cb 0.86 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.60 3hcr h LYS 613 CO 0.08 0.22 -0.02 -0.09 -2.27 0.00 0.00 179.45 177.36 3hcr h ARG 614 N 0.33 0.44 0.00 1.90 2.43 -0.06 -3.28 114.38 116.15 3hcr h ARG 614 Ca 0.14 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3hcr h ARG 614 Cb 0.15 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 3hcr h ARG 614 CO -0.03 0.64 -0.66 0.54 -1.51 0.00 0.00 179.97 178.95 3hcr n ARG 615 N -4.61 0.29 -0.31 0.20 1.74 0.08 -4.39 116.66 109.65 3hcr n ARG 615 Ca -0.04 0.08 0.11 0.00 -0.77 0.00 0.00 57.85 57.23 3hcr n ARG 615 Cb 0.26 -1.68 0.24 0.00 -1.02 0.00 0.00 32.46 30.27 3hcr n ARG 615 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 3hcr h THR 616 N 0.00 0.15 -0.13 0.55 2.02 -1.27 -0.42 112.91 113.81 3hcr h THR 616 Ca 0.00 -0.02 0.03 0.00 0.77 0.00 0.00 66.41 67.19 3hcr h THR 616 Cb 0.74 0.08 -0.04 0.00 -1.74 0.00 0.00 68.15 67.20 3hcr h THR 616 CO 0.00 0.01 -0.09 -0.65 0.37 0.00 0.00 175.52 175.17 3hcr h PRO 617 N 0.06 -0.08 0.26 6.66 0.11 -1.79 0.34 132.00 137.56 3hcr h PRO 617 Ca 0.53 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.64 3hcr h PRO 617 Cb 1.04 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 3hcr h PRO 617 CO -0.82 -0.06 -0.17 -0.22 -0.21 0.00 0.00 178.00 176.53 3hcr h LYS 618 N -0.09 -0.40 -0.28 1.05 3.64 -1.41 -0.79 116.57 118.29 3hcr h LYS 618 Ca 0.08 0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.44 3hcr h LYS 618 Cb 0.21 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 3hcr h LYS 618 CO -0.19 -0.27 -0.02 0.82 -2.27 0.00 0.00 179.45 177.53 3hcr h ILE 619 N -0.42 1.18 -0.63 2.00 1.08 -1.13 -1.69 117.51 117.90 3hcr h ILE 619 Ca -0.02 -0.72 -0.06 0.00 -0.39 0.00 0.00 64.86 63.66 3hcr h ILE 619 Cb 0.35 0.99 -0.03 0.00 -3.07 0.00 0.00 36.82 35.07 3hcr h ILE 619 CO 0.02 0.24 0.15 -0.61 -0.69 0.00 0.00 178.15 177.26 3hcr h GLN 620 N 0.41 1.02 -0.42 2.37 4.15 0.02 -1.99 115.11 120.67 3hcr h GLN 620 Ca 0.09 -0.25 -0.04 0.00 0.77 0.00 0.00 58.65 59.23 3hcr h GLN 620 Cb 0.31 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.85 3hcr h GLN 620 CO 0.01 0.92 0.12 1.49 -1.93 0.00 0.00 178.83 179.44 3hcr h GLU 621 N 0.94 0.66 -0.56 1.69 4.57 -0.38 -2.07 114.58 119.43 3hcr h GLU 621 Ca 0.20 -0.15 -0.04 0.00 -1.18 0.00 0.00 59.36 58.19 3hcr h GLU 621 Cb 0.37 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.84 3hcr h GLU 621 CO 0.00 0.66 0.18 1.96 -1.18 0.00 0.00 179.01 180.63 3hcr h GLN 622 N 0.53 0.83 0.00 1.92 4.20 -1.11 -1.71 115.11 119.77 3hcr h GLN 622 Ca 0.13 -0.15 -0.13 0.00 0.06 0.00 0.00 58.65 58.57 3hcr h GLN 622 Cb 0.28 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 3hcr h GLN 622 CO -0.00 0.71 -0.60 1.88 -0.67 0.00 0.00 178.83 180.15 3hcr h TYR 623 N 0.81 0.00 -0.59 2.96 -1.99 -1.24 -2.81 116.97 114.12 3hcr h TYR 623 Ca 0.19 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.83 3hcr h TYR 623 Cb 0.23 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.93 3hcr h TYR 623 CO 0.01 0.60 0.04 -0.09 -0.00 0.00 0.00 178.16 178.73 3hcr h ARG 624 N 0.00 0.99 0.00 4.88 2.43 -0.72 -0.41 114.38 121.54 3hcr h ARG 624 Ca -0.01 -0.28 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 3hcr h ARG 624 Cb 1.11 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 3hcr h ARG 624 CO 0.08 0.95 0.00 0.54 -1.51 0.00 0.00 179.97 180.03 3hcr n ARG 625 N -4.20 0.11 -0.08 0.20 5.12 -0.70 -2.44 116.66 114.66 3hcr n ARG 625 Ca 0.03 0.53 0.10 0.00 -1.93 0.00 0.00 57.85 56.59 3hcr n ARG 625 Cb 0.31 -1.82 0.14 0.00 -1.16 0.00 0.00 32.46 29.94 3hcr n ARG 625 CO 0.00 0.00 0.00 0.44 -1.93 0.00 0.00 177.63 176.14 3hcr n ILE 626 N -2.05 1.90 0.00 0.55 -5.35 -0.88 -4.97 119.36 108.56 3hcr n ILE 626 Ca 0.00 -2.25 0.00 0.00 -0.27 0.00 0.00 62.75 60.23 3hcr n ILE 626 Cb 0.08 -0.24 0.00 0.00 -1.74 0.00 0.00 39.64 37.75 3hcr n ILE 626 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hcr n GLY 627 N -1.40 1.66 0.00 3.28 0.00 -1.02 -4.74 105.19 102.97 3hcr n GLY 627 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3hcr n GLY 627 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hcr n GLY 628 N 0.00 1.09 0.00 -0.02 0.00 -0.22 -4.98 105.19 101.06 3hcr n GLY 628 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3hcr n GLY 628 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hcr n GLY 629 N -0.53 -0.83 3.69 -0.02 0.00 -1.21 -2.67 105.19 103.63 3hcr n GLY 629 Ca 0.00 -0.81 -0.35 0.00 0.00 0.00 0.00 46.02 44.86 3hcr n GLY 629 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hcr s SER 630 N -4.00 5.46 0.00 1.61 0.15 0.18 -4.95 113.70 112.15 3hcr s SER 630 Ca 0.00 0.16 0.20 0.00 0.70 0.00 0.00 55.95 57.00 3hcr s SER 630 Cb 0.00 -1.70 0.53 0.00 -1.71 0.00 0.00 66.02 63.14 3hcr s SER 630 CO 0.00 0.32 1.44 -0.81 1.20 0.00 0.00 173.24 175.39 3hcr n PRO 631 N 2.54 2.32 -0.24 5.44 -0.04 -1.26 -4.48 135.00 139.28 3hcr n PRO 631 Ca -0.18 -2.04 0.04 0.00 -0.04 0.00 0.00 63.50 61.28 3hcr n PRO 631 Cb 0.53 -1.46 0.16 0.00 -0.04 0.00 0.00 33.50 32.69 3hcr n PRO 631 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 3hcr h ILE 632 N 3.54 0.52 -0.80 0.52 2.10 -1.92 -1.79 117.51 119.69 3hcr h ILE 632 Ca 0.00 -0.08 0.08 0.00 1.08 0.00 0.00 64.86 65.94 3hcr h ILE 632 Cb 0.80 0.26 -0.07 0.00 -1.09 0.00 0.00 36.82 36.72 3hcr h ILE 632 CO 0.00 0.04 0.46 0.50 -1.08 0.00 0.00 178.15 178.07 3hcr h LYS 633 N 0.24 0.78 -0.17 2.19 3.64 -1.90 -0.19 116.57 121.17 3hcr h LYS 633 Ca 0.39 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.64 3hcr h LYS 633 Cb 0.65 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.29 3hcr h LYS 633 CO -0.50 0.51 -0.20 0.82 -2.27 0.00 0.00 179.45 177.81 3hcr h ILE 634 N 0.80 1.34 -0.59 2.00 2.04 -1.69 -2.41 117.51 119.00 3hcr h ILE 634 Ca 0.37 -1.38 -0.07 0.00 1.00 0.00 0.00 64.86 64.78 3hcr h ILE 634 Cb 0.29 1.86 -0.03 0.00 -0.74 0.00 0.00 36.82 38.20 3hcr h ILE 634 CO -0.22 0.41 0.10 -0.50 0.00 0.00 0.00 178.15 177.94 3hcr h TRP 635 N 0.07 1.00 -0.41 1.37 -0.00 -1.20 -0.83 115.95 115.95 3hcr h TRP 635 Ca 0.02 -0.12 -0.04 0.00 -0.00 0.00 0.00 58.89 58.75 3hcr h TRP 635 Cb 0.75 -0.28 -0.02 0.00 -0.00 0.00 0.00 29.16 29.61 3hcr h TRP 635 CO 0.09 0.85 0.09 1.15 -0.00 0.00 0.00 178.44 180.62 3hcr h THR 636 N 0.90 1.23 0.06 1.49 2.02 -1.05 0.14 112.91 117.71 3hcr h THR 636 Ca 0.18 -0.82 -0.00 0.00 0.77 0.00 0.00 66.41 66.54 3hcr h THR 636 Cb 0.39 0.98 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 3hcr h THR 636 CO 0.01 0.29 -0.03 0.28 0.37 0.00 0.00 175.52 176.43 3hcr h SER 637 N 0.53 -0.07 -0.07 4.18 0.02 -1.22 0.54 113.55 117.46 3hcr h SER 637 Ca 0.13 -0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 60.97 3hcr h SER 637 Cb 0.33 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 3hcr h SER 637 CO 0.00 0.02 -0.06 0.11 -1.14 0.00 0.00 176.83 175.77 3hcr h LYS 638 N -0.16 0.30 0.00 3.45 1.57 -1.05 -0.17 116.57 120.52 3hcr h LYS 638 Ca -0.01 -0.06 -0.23 0.00 -1.87 0.00 0.00 60.65 58.48 3hcr h LYS 638 Cb 0.13 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.40 3hcr h LYS 638 CO 0.01 0.38 -0.96 1.96 -0.57 0.00 0.00 179.45 180.28 3hcr h GLN 639 N 0.29 0.42 -0.56 3.15 1.08 -0.37 -2.94 115.11 116.18 3hcr h GLN 639 Ca 0.06 -0.46 -0.06 0.00 -1.45 0.00 0.00 58.65 56.74 3hcr h GLN 639 Cb 0.29 0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.83 3hcr h GLN 639 CO 0.01 1.12 0.11 0.78 -0.95 0.00 0.00 178.83 179.90 3hcr h GLY 640 N 1.20 0.99 1.48 3.46 0.00 0.84 -0.80 103.07 110.24 3hcr h GLY 640 Ca -0.08 -0.65 -0.07 0.00 0.00 0.00 0.00 47.33 46.53 3hcr h GLY 640 CO 0.17 0.60 -0.08 0.83 0.00 0.00 0.00 176.54 178.06 3hcr h GLU 641 N 0.82 0.63 0.00 4.80 5.08 -1.11 -0.58 114.58 124.22 3hcr h GLU 641 Ca 0.17 -0.18 -0.13 0.00 -1.00 0.00 0.00 59.36 58.23 3hcr h GLU 641 Cb 0.39 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 3hcr h GLU 641 CO 0.01 0.70 -0.60 0.78 -1.00 0.00 0.00 179.01 178.90 3hcr h GLY 642 N 0.94 0.00 0.54 -3.84 0.00 -1.30 -2.05 103.07 97.36 3hcr h GLY 642 Ca 0.11 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.39 3hcr h GLY 642 CO 0.03 0.00 -0.17 1.98 0.00 0.00 0.00 176.54 178.38 3hcr h MET 643 N 0.00 0.19 0.11 4.80 1.85 -0.65 -3.11 114.93 118.12 3hcr h MET 643 Ca -0.01 -0.15 0.00 0.00 -0.61 0.00 0.00 59.70 58.94 3hcr h MET 643 Cb 1.13 0.03 -0.01 0.00 0.43 0.00 0.00 31.60 33.18 3hcr h MET 643 CO 0.08 0.79 -0.10 0.28 -0.40 0.00 0.00 176.91 177.55 3hcr h VAL 644 N -0.37 0.77 -0.39 -5.77 2.07 -1.08 0.92 116.25 112.39 3hcr h VAL 644 Ca -0.01 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.63 3hcr h VAL 644 Cb 0.81 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 3hcr h VAL 644 CO 0.04 0.00 0.29 0.11 0.02 0.00 0.00 177.57 178.02 3hcr h LYS 645 N -0.23 0.00 0.01 1.57 1.57 -1.48 0.88 116.57 118.89 3hcr h LYS 645 Ca 0.00 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.53 3hcr h LYS 645 Cb 0.22 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.49 3hcr h LYS 645 CO -0.02 0.00 -1.35 -0.07 -0.57 0.00 0.00 179.45 177.44 3hcr h LEU 646 N 0.00 0.03 -0.94 2.94 3.38 -1.38 -3.32 115.31 116.03 3hcr h LEU 646 Ca 0.19 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 58.01 3hcr h LEU 646 Cb 0.76 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 3hcr h LEU 646 CO -0.00 1.04 -0.49 -0.07 0.09 0.00 0.00 178.44 179.01 3hcr h LEU 647 N 0.01 0.00 -1.35 1.67 3.38 0.14 -1.04 115.31 118.12 3hcr h LEU 647 Ca -0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3hcr h LEU 647 Cb 1.90 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.65 3hcr h LEU 647 CO 0.11 0.49 0.00 0.44 0.09 0.00 0.00 178.44 179.57 3hcr h ASP 648 N 0.00 0.00 0.06 -0.43 3.32 -1.15 -2.01 116.42 116.21 3hcr h ASP 648 Ca -0.00 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.67 3hcr h ASP 648 Cb 0.94 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.43 3hcr h ASP 648 CO 0.06 0.00 -2.31 -0.62 -1.72 0.00 0.00 179.24 174.65 3hcr n GLU 649 N -3.08 0.68 0.03 3.56 -0.58 -1.04 -4.17 120.64 116.03 3hcr n GLU 649 Ca 0.01 0.16 -0.13 0.00 -0.42 0.00 0.00 57.16 56.78 3hcr n GLU 649 Cb 0.32 -1.58 -0.09 0.00 -0.57 0.00 0.00 31.44 29.52 3hcr n GLU 649 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 3hcr h LEU 650 N 0.02 -0.05 -7.00 -4.62 3.38 -1.16 -3.38 115.31 102.50 3hcr h LEU 650 Ca -0.52 -0.31 -0.62 0.00 0.09 0.00 0.00 57.88 56.53 3hcr h LEU 650 Cb 1.99 0.01 -0.41 0.00 0.09 0.00 0.00 40.66 42.34 3hcr h LEU 650 CO -0.02 0.28 -0.63 -0.55 0.09 0.00 0.00 178.44 177.61 3hcr s SER 651 N -5.46 4.36 0.33 -0.43 0.15 -0.76 -4.95 113.70 106.94 3hcr s SER 651 Ca -0.15 -3.72 0.04 0.00 0.70 0.00 0.00 55.95 52.82 3hcr s SER 651 Cb 0.03 -1.47 0.66 0.00 -1.71 0.00 0.00 66.02 63.52 3hcr s SER 651 CO 0.65 -0.10 1.91 -0.65 1.20 0.00 0.00 173.24 176.26 3hcr h PRO 652 N 5.47 0.84 -0.71 5.44 0.11 -1.76 -2.65 132.00 138.75 3hcr h PRO 652 Ca 0.15 -0.05 0.11 0.00 0.11 0.00 0.00 66.00 66.33 3hcr h PRO 652 Cb 0.78 -0.19 -0.05 0.00 0.11 0.00 0.00 31.00 31.65 3hcr h PRO 652 CO 0.67 0.56 0.47 -0.91 -0.21 0.00 0.00 178.00 178.58 3hcr h ASN 653 N 0.87 0.47 -0.35 -2.05 -0.26 -1.93 -2.08 115.58 110.26 3hcr h ASN 653 Ca 0.38 0.02 0.00 0.00 -0.56 0.00 0.00 56.30 56.14 3hcr h ASN 653 Cb 0.34 -0.08 0.00 0.00 -1.06 0.00 0.00 38.32 37.52 3hcr h ASN 653 CO -0.15 0.27 0.00 0.35 -1.06 0.00 0.00 177.43 176.84 3hcr n THR 654 N -4.49 0.47 -2.20 2.81 -2.24 -1.01 -4.97 114.28 102.66 3hcr n THR 654 Ca 0.12 -0.74 -0.30 0.00 -2.27 0.00 0.00 64.05 60.86 3hcr n THR 654 Cb 0.40 1.01 -0.00 0.00 -2.10 0.00 0.00 70.33 69.64 3hcr n THR 654 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hcr s ALA 655 N -1.46 3.18 0.44 6.98 0.00 -0.78 -3.04 121.76 127.09 3hcr s ALA 655 Ca 0.36 -0.16 -0.24 0.00 0.00 0.00 0.00 51.96 51.93 3hcr s ALA 655 Cb 0.21 -2.94 -0.08 0.00 0.00 0.00 0.00 23.12 20.32 3hcr s ALA 655 CO 0.30 -0.50 1.18 -2.14 0.00 0.00 0.00 175.76 174.60 3hcr s PRO 656 N -4.82 3.83 -0.05 0.00 0.02 -1.26 -4.67 135.00 128.04 3hcr s PRO 656 Ca 0.53 1.83 -0.01 0.00 0.02 0.00 0.00 61.00 63.37 3hcr s PRO 656 Cb -0.11 -2.49 -0.04 0.00 0.02 0.00 0.00 34.50 31.89 3hcr s PRO 656 CO 0.47 -0.51 0.03 -1.01 -0.33 0.00 0.00 177.00 175.65 3hcr s HIS 657 N -1.49 3.20 -0.01 6.54 3.76 -1.26 -1.38 115.29 124.65 3hcr s HIS 657 Ca 0.62 0.19 0.02 0.00 -0.15 0.00 0.00 55.06 55.74 3hcr s HIS 657 Cb -0.30 -1.76 -0.00 0.00 1.11 0.00 0.00 32.58 31.62 3hcr s HIS 657 CO 0.37 0.50 -0.05 0.21 -0.85 0.00 0.00 174.74 174.92 3hcr s LYS 658 N -1.21 0.47 0.02 1.40 2.20 -0.87 -4.96 119.74 116.79 3hcr s LYS 658 Ca 0.17 -0.19 0.01 0.00 -0.36 0.00 0.00 55.97 55.60 3hcr s LYS 658 Cb -0.12 -0.46 -0.04 0.00 -1.51 0.00 0.00 37.83 35.71 3hcr s LYS 658 CO 0.06 0.11 0.05 1.52 -0.36 0.00 0.00 175.35 176.73 3hcr s TYR 659 N -0.07 3.17 0.02 4.03 -0.85 -1.26 -0.84 117.35 121.55 3hcr s TYR 659 Ca 0.01 0.12 0.05 0.00 -0.52 0.00 0.00 57.07 56.73 3hcr s TYR 659 Cb -0.03 -1.67 -0.02 0.00 0.38 0.00 0.00 41.96 40.62 3hcr s TYR 659 CO -0.00 0.51 -0.14 0.71 -1.52 0.00 0.00 175.55 175.11 3hcr s TYR 660 N -1.21 1.24 -0.22 -3.49 1.51 -0.29 -4.91 117.35 109.98 3hcr s TYR 660 Ca 0.23 -0.30 -0.13 0.00 -1.01 0.00 0.00 57.07 55.87 3hcr s TYR 660 Cb -0.12 -0.76 -0.04 0.00 -0.11 0.00 0.00 41.96 40.93 3hcr s TYR 660 CO 0.15 0.01 0.27 0.42 -1.11 0.00 0.00 175.55 175.29 3hcr s ILE 661 N -0.62 5.29 -0.64 2.71 1.01 -1.26 -0.71 121.20 126.98 3hcr s ILE 661 Ca 0.03 0.43 0.05 0.00 0.00 0.00 0.00 60.65 61.16 3hcr s ILE 661 Cb -0.07 -3.61 0.16 0.00 0.01 0.00 0.00 42.46 38.95 3hcr s ILE 661 CO 0.00 0.31 0.42 -0.83 0.00 0.00 0.00 174.94 174.84 3hcr s GLY 662 N 0.99 2.72 0.33 6.18 0.00 0.10 -4.66 107.32 112.98 3hcr s GLY 662 Ca 0.13 -3.61 -0.23 0.00 0.00 0.00 0.00 44.72 41.01 3hcr s GLY 662 CO 0.06 1.10 0.89 -1.36 0.00 0.00 0.00 173.10 173.79 3hcr s PHE 663 N -1.04 3.58 0.01 1.90 2.99 -0.77 -2.92 117.98 121.72 3hcr s PHE 663 Ca 0.23 1.63 -0.11 0.00 0.00 0.00 0.00 56.93 58.68 3hcr s PHE 663 Cb -0.11 -2.82 -0.32 0.00 0.00 0.00 0.00 43.02 39.76 3hcr s PHE 663 CO -0.11 0.16 0.89 -0.09 -0.00 0.00 0.00 175.22 176.06 3hcr h ARG 664 N 2.88 0.42 -0.01 0.44 9.65 -1.07 0.15 114.38 126.83 3hcr h ARG 664 Ca -0.48 -0.72 0.00 0.00 -1.10 0.00 0.00 59.98 57.68 3hcr h ARG 664 Cb 1.19 0.27 0.00 0.00 -1.39 0.00 0.00 29.97 30.04 3hcr h ARG 664 CO 0.64 1.33 -0.01 0.66 2.80 0.00 0.00 179.97 185.39 3hcr n TYR 665 N -3.62 0.00 -3.80 2.20 0.53 -0.96 -4.76 117.16 106.75 3hcr n TYR 665 Ca -0.18 0.00 -0.09 0.00 -1.02 0.00 0.00 57.90 56.60 3hcr n TYR 665 Cb 1.08 0.00 -0.07 0.00 -1.03 0.00 0.00 39.34 39.32 3hcr n TYR 665 CO 0.00 0.00 0.00 0.14 -1.02 0.00 0.00 176.86 175.98 3hcr s VAL 666 N -0.80 0.12 0.38 -0.72 -7.23 -1.26 -4.33 120.40 106.57 3hcr s VAL 666 Ca 0.10 -1.01 -0.27 0.00 -1.81 0.00 0.00 61.98 58.99 3hcr s VAL 666 Cb 0.08 -1.26 -0.10 0.00 0.56 0.00 0.00 36.38 35.66 3hcr s VAL 666 CO 0.12 -0.56 1.35 -1.00 -0.31 0.00 0.00 175.10 174.71 3hcr s HIS 667 N -3.72 2.81 -0.50 2.82 3.76 -1.26 -2.85 115.29 116.34 3hcr s HIS 667 Ca 0.04 1.35 -0.29 0.00 -0.15 0.00 0.00 55.06 56.01 3hcr s HIS 667 Cb 0.04 -3.77 0.03 0.00 1.11 0.00 0.00 32.58 29.99 3hcr s HIS 667 CO -0.11 -2.27 1.14 -1.25 -0.85 0.00 0.00 174.74 171.41 3hcr s PRO 668 N -2.09 3.66 0.79 8.40 0.04 -1.26 -4.97 135.00 139.57 3hcr s PRO 668 Ca 0.54 0.46 -0.15 0.00 0.04 0.00 0.00 61.00 61.89 3hcr s PRO 668 Cb -0.41 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.20 3hcr s PRO 668 CO 0.54 -1.46 0.66 1.28 0.04 0.00 0.00 177.00 178.06 3hcr n LEU 669 N 7.97 1.48 -0.10 -3.56 4.77 -1.13 -1.85 117.00 124.58 3hcr n LEU 669 Ca 0.11 0.54 -0.06 0.00 -0.03 0.00 0.00 56.01 56.57 3hcr n LEU 669 Cb 0.49 -1.28 0.00 0.00 -2.33 0.00 0.00 43.42 40.30 3hcr n LEU 669 CO 0.71 -2.88 0.79 0.74 -1.33 0.00 0.00 177.39 175.43 3hcr h THR 670 N -0.73 0.64 -0.61 -5.08 2.02 -0.94 -1.27 112.91 106.94 3hcr h THR 670 Ca -0.45 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.71 3hcr h THR 670 Cb 1.32 0.64 -0.03 0.00 -1.74 0.00 0.00 68.15 68.35 3hcr h THR 670 CO 0.42 0.00 0.33 -0.33 0.37 0.00 0.00 175.52 176.30 3hcr h GLU 671 N -0.01 0.84 -0.63 6.66 3.07 -1.91 -1.76 114.58 120.84 3hcr h GLU 671 Ca 0.17 -0.09 -0.08 0.00 -0.50 0.00 0.00 59.36 58.86 3hcr h GLU 671 Cb 0.26 -0.17 -0.03 0.00 -0.84 0.00 0.00 28.75 27.97 3hcr h GLU 671 CO -0.36 0.63 0.09 0.93 -1.40 0.00 0.00 179.01 178.90 3hcr h GLU 672 N 0.85 1.04 -0.46 2.33 5.08 -1.61 0.32 114.58 122.13 3hcr h GLU 672 Ca 0.22 -0.27 -0.13 0.00 -1.00 0.00 0.00 59.36 58.17 3hcr h GLU 672 Cb 0.03 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 3hcr h GLU 672 CO -0.03 0.96 -0.22 0.00 -1.00 0.00 0.00 179.01 178.72 3hcr h ALA 673 N 1.11 0.64 0.17 3.43 0.00 -0.74 -1.95 119.26 121.93 3hcr h ALA 673 Ca 0.19 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 3hcr h ALA 673 Cb 0.44 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3hcr h ALA 673 CO 0.01 0.64 -0.08 0.82 0.00 0.00 0.00 179.25 180.64 3hcr h ILE 674 N 0.80 0.94 -0.83 0.00 2.04 -1.12 0.90 117.51 120.24 3hcr h ILE 674 Ca 0.10 -0.49 0.19 0.00 1.00 0.00 0.00 64.86 65.66 3hcr h ILE 674 Cb 0.80 1.24 -0.12 0.00 -0.74 0.00 0.00 36.82 38.00 3hcr h ILE 674 CO 0.07 0.11 0.31 -0.08 0.00 0.00 0.00 178.15 178.56 3hcr h GLU 675 N -0.46 0.35 0.00 2.37 4.81 -0.89 0.33 114.58 121.09 3hcr h GLU 675 Ca -0.02 -0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 59.04 3hcr h GLU 675 Cb 0.36 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 3hcr h GLU 675 CO 0.04 0.23 -0.68 1.49 -0.73 0.00 0.00 179.01 179.36 3hcr h GLU 676 N 0.36 0.00 -0.35 1.92 4.81 -1.18 -3.08 114.58 117.06 3hcr h GLU 676 Ca 0.49 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.61 3hcr h GLU 676 Cb 0.88 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.25 3hcr h GLU 676 CO -0.51 0.68 -0.24 0.52 -0.73 0.00 0.00 179.01 178.73 3hcr h MET 677 N 0.00 0.70 -0.60 1.92 2.86 0.21 -2.72 114.93 117.30 3hcr h MET 677 Ca -0.01 -0.28 -0.07 0.00 -2.06 0.00 0.00 59.70 57.28 3hcr h MET 677 Cb 1.27 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.87 3hcr h MET 677 CO 0.09 0.87 0.10 0.93 1.06 0.00 0.00 176.91 179.96 3hcr h GLU 678 N 0.61 0.96 -0.46 1.72 4.39 -0.70 -3.20 114.58 117.91 3hcr h GLU 678 Ca 0.08 -0.24 -0.13 0.00 0.34 0.00 0.00 59.36 59.41 3hcr h GLU 678 Cb 0.73 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.24 3hcr h GLU 678 CO 0.06 0.89 -0.23 0.00 -1.16 0.00 0.00 179.01 178.56 3hcr h ARG 679 N 0.91 0.96 0.00 2.33 3.08 -1.42 -2.80 114.38 117.44 3hcr h ARG 679 Ca 0.19 -0.42 0.00 0.00 0.07 0.00 0.00 59.98 59.82 3hcr h ARG 679 Cb 0.39 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.41 3hcr h ARG 679 CO 0.01 1.09 0.00 -0.25 -1.07 0.00 0.00 179.97 179.75 3hcr n ASP 680 N -4.10 0.00 -3.36 7.04 8.00 -1.05 -4.90 116.55 118.18 3hcr n ASP 680 Ca -0.00 -0.12 -0.13 0.00 0.71 0.00 0.00 54.79 55.25 3hcr n ASP 680 Cb 0.47 -0.20 0.01 0.00 -0.02 0.00 0.00 41.12 41.38 3hcr n ASP 680 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hcr n GLY 681 N 0.05 -1.21 3.88 0.44 0.00 -1.06 -4.70 105.19 102.60 3hcr n GLY 681 Ca 0.09 0.51 -0.30 0.00 0.00 0.00 0.00 46.02 46.33 3hcr n GLY 681 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hcr s LEU 682 N -4.79 3.38 -0.16 0.99 1.43 -1.26 -4.92 118.68 113.35 3hcr s LEU 682 Ca 0.13 1.25 -0.09 0.00 -1.03 0.00 0.00 54.13 54.39 3hcr s LEU 682 Cb -0.04 -4.26 -0.23 0.00 0.03 0.00 0.00 46.19 41.69 3hcr s LEU 682 CO 0.80 -0.76 0.24 -0.62 0.23 0.00 0.00 176.35 176.24 3hcr n GLU 683 N -2.56 0.71 -4.40 1.70 1.02 -0.40 -4.65 120.64 112.05 3hcr n GLU 683 Ca 0.04 0.31 -0.20 0.00 -0.02 0.00 0.00 57.16 57.29 3hcr n GLU 683 Cb 0.54 -1.69 -0.15 0.00 -0.02 0.00 0.00 31.44 30.12 3hcr n GLU 683 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 3hcr s ARG 684 N -2.52 0.93 -0.05 3.49 3.52 -1.19 -2.54 118.95 120.59 3hcr s ARG 684 Ca -0.26 -0.32 0.05 0.00 -0.13 0.00 0.00 55.73 55.08 3hcr s ARG 684 Cb 0.07 -0.88 -0.01 0.00 -1.56 0.00 0.00 34.95 32.58 3hcr s ARG 684 CO 0.71 0.13 -0.22 0.00 -0.81 0.00 0.00 175.30 175.11 3hcr s ALA 685 N 0.11 1.92 -0.22 6.12 0.00 0.32 -0.89 121.76 129.12 3hcr s ALA 685 Ca -0.02 -0.91 0.02 0.00 0.00 0.00 0.00 51.96 51.06 3hcr s ALA 685 Cb -0.08 -0.62 0.04 0.00 0.00 0.00 0.00 23.12 22.47 3hcr s ALA 685 CO 0.00 0.35 -0.15 0.42 0.00 0.00 0.00 175.76 176.39 3hcr s ILE 686 N -0.05 2.08 -0.57 0.00 1.01 -0.29 -1.80 121.20 121.58 3hcr s ILE 686 Ca -0.05 -1.27 -0.27 0.00 0.00 0.00 0.00 60.65 59.06 3hcr s ILE 686 Cb -0.13 -2.05 0.03 0.00 0.01 0.00 0.00 42.46 40.32 3hcr s ILE 686 CO 0.03 0.25 1.13 0.00 0.00 0.00 0.00 174.94 176.35 3hcr s ALA 687 N 1.21 3.04 -0.42 9.38 0.00 -0.11 -0.97 121.76 133.89 3hcr s ALA 687 Ca -0.02 -0.94 -0.07 0.00 0.00 0.00 0.00 51.96 50.94 3hcr s ALA 687 Cb -0.16 -3.96 0.09 0.00 0.00 0.00 0.00 23.12 19.09 3hcr s ALA 687 CO -0.09 -2.59 0.24 0.12 0.00 0.00 0.00 175.76 173.44 3hcr s PHE 688 N 4.70 3.43 0.42 0.00 5.99 0.61 -1.15 117.98 131.98 3hcr s PHE 688 Ca 0.40 -1.91 -0.25 0.00 0.00 0.00 0.00 56.93 55.16 3hcr s PHE 688 Cb -0.09 -3.09 -0.08 0.00 0.00 0.00 0.00 43.02 39.76 3hcr s PHE 688 CO 0.24 -0.92 1.22 -0.08 -0.00 0.00 0.00 175.22 175.68 3hcr s THR 689 N 1.31 2.91 -2.73 0.12 -1.32 -0.99 -1.42 115.64 113.52 3hcr s THR 689 Ca 0.05 0.76 0.24 0.00 -1.21 0.00 0.00 61.69 61.53 3hcr s THR 689 Cb -0.23 -3.42 0.33 0.00 -1.51 0.00 0.00 72.50 67.66 3hcr s THR 689 CO -0.01 0.06 1.40 0.00 -2.21 0.00 0.00 174.62 173.87 3hcr n GLN 690 N -0.08 2.20 -3.43 7.08 1.13 -0.23 -4.79 117.38 119.26 3hcr n GLN 690 Ca 0.05 -1.77 -0.39 0.00 -1.94 0.00 0.00 57.00 52.95 3hcr n GLN 690 Cb 0.46 -1.47 -0.10 0.00 0.11 0.00 0.00 30.24 29.24 3hcr n GLN 690 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 3hcr s TYR 691 N -1.87 3.23 0.31 1.08 1.51 -1.26 -4.72 117.35 115.64 3hcr s TYR 691 Ca 0.33 0.29 0.02 0.00 -1.01 0.00 0.00 57.07 56.69 3hcr s TYR 691 Cb 0.21 -2.55 0.52 0.00 -0.11 0.00 0.00 41.96 40.03 3hcr s TYR 691 CO 0.31 -0.24 1.85 -1.35 -1.11 0.00 0.00 175.55 175.01 3hcr h PRO 692 N 8.26 0.64 -5.62 -1.71 0.11 -1.86 -3.42 132.00 128.39 3hcr h PRO 692 Ca -0.32 -0.13 -0.65 0.00 0.11 0.00 0.00 66.00 65.00 3hcr h PRO 692 Cb 1.17 -0.09 -0.16 0.00 0.11 0.00 0.00 31.00 32.02 3hcr h PRO 692 CO 0.63 0.63 -0.61 -0.65 -0.21 0.00 0.00 178.00 177.79 3hcr s GLN 693 N -5.06 3.42 0.05 1.05 1.11 -1.26 -1.02 119.66 117.96 3hcr s GLN 693 Ca -0.08 -0.40 -0.29 0.00 0.01 0.00 0.00 55.36 54.60 3hcr s GLN 693 Cb 0.15 -2.95 -0.05 0.00 -1.01 0.00 0.00 33.01 29.16 3hcr s GLN 693 CO 0.78 0.49 0.94 -0.47 0.01 0.00 0.00 175.29 177.04 3hcr s TYR 694 N -0.29 3.73 0.01 0.91 5.04 -1.26 -4.87 117.35 120.62 3hcr s TYR 694 Ca 0.07 1.70 0.01 0.00 -2.44 0.00 0.00 57.07 56.41 3hcr s TYR 694 Cb -0.12 -3.05 -0.01 0.00 0.35 0.00 0.00 41.96 39.13 3hcr s TYR 694 CO 0.02 0.12 -0.03 0.45 -1.34 0.00 0.00 175.55 174.77 3hcr s SER 695 N 0.45 0.33 0.54 4.32 0.15 -1.26 -1.66 113.70 116.57 3hcr s SER 695 Ca 0.48 -0.20 0.32 0.00 0.70 0.00 0.00 55.95 57.25 3hcr s SER 695 Cb -0.22 0.01 1.44 0.00 -1.71 0.00 0.00 66.02 65.54 3hcr s SER 695 CO 0.28 -0.07 2.03 0.00 1.20 0.00 0.00 173.24 176.67 3hcr h SER 697 N 0.00 0.00 0.00 0.00 4.64 -1.93 -2.40 113.55 113.86 3hcr h SER 697 Ca -0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3hcr h SER 697 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 3hcr h SER 697 CO 0.01 0.01 0.00 0.35 -0.87 0.00 0.00 176.83 176.33 3hcr n THR 698 N -2.71 0.00 -0.28 2.95 -2.24 -0.91 -4.49 114.28 106.60 3hcr n THR 698 Ca 0.04 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.84 3hcr n THR 698 Cb 0.49 -0.41 0.15 0.00 -2.10 0.00 0.00 70.33 68.45 3hcr n THR 698 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3hcr h THR 699 N 0.00 0.94 -0.54 4.28 2.02 -1.75 -2.14 112.91 115.72 3hcr h THR 699 Ca 0.00 -0.27 0.09 0.00 0.77 0.00 0.00 66.41 67.00 3hcr h THR 699 Cb 0.00 0.08 -0.07 0.00 -1.74 0.00 0.00 68.15 66.41 3hcr h THR 699 CO 0.00 0.15 0.13 1.23 0.37 0.00 0.00 175.52 177.40 3hcr h GLY 700 N 0.80 0.69 1.01 2.16 0.00 -1.30 -0.13 103.07 106.29 3hcr h GLY 700 Ca 0.37 -0.04 -0.07 0.00 0.00 0.00 0.00 47.33 47.59 3hcr h GLY 700 CO -0.22 -0.07 0.07 0.23 0.00 0.00 0.00 176.54 176.55 3hcr h SER 701 N 0.27 0.87 -0.24 0.19 0.87 -0.87 0.11 113.55 114.75 3hcr h SER 701 Ca 0.27 -0.27 -0.01 0.00 -1.23 0.00 0.00 61.79 60.56 3hcr h SER 701 Cb 0.37 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 3hcr h SER 701 CO -0.34 0.92 0.12 0.28 -0.53 0.00 0.00 176.83 177.28 3hcr h SER 702 N 0.78 0.31 -0.34 6.23 0.02 -0.81 -0.13 113.55 119.61 3hcr h SER 702 Ca 0.16 -0.11 -0.07 0.00 -0.84 0.00 0.00 61.79 60.93 3hcr h SER 702 Cb 0.43 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.87 3hcr h SER 702 CO 0.01 0.33 -0.02 -0.07 -1.14 0.00 0.00 176.83 175.95 3hcr h LEU 703 N 0.26 0.69 -1.41 5.07 3.38 -0.92 -2.06 115.31 120.32 3hcr h LEU 703 Ca 0.08 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 3hcr h LEU 703 Cb 0.10 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3hcr h LEU 703 CO -0.01 0.78 -0.28 0.78 0.09 0.00 0.00 178.44 179.80 3hcr h ASN 704 N 0.67 0.02 -0.69 -0.43 4.21 -0.40 -2.62 115.58 116.34 3hcr h ASN 704 Ca 0.13 -0.01 -0.07 0.00 1.21 0.00 0.00 56.30 57.56 3hcr h ASN 704 Cb 0.45 -0.01 -0.03 0.00 -1.12 0.00 0.00 38.32 37.62 3hcr h ASN 704 CO 0.02 0.30 0.15 0.00 -1.29 0.00 0.00 177.43 176.61 3hcr h ALA 705 N 1.70 0.95 0.06 -0.83 0.00 -0.30 0.22 119.26 121.06 3hcr h ALA 705 Ca 0.00 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 3hcr h ALA 705 Cb 0.51 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3hcr h ALA 705 CO 0.04 0.67 -0.03 0.82 0.00 0.00 0.00 179.25 180.74 3hcr h ILE 706 N 1.06 1.01 -0.52 0.00 2.04 -1.29 0.15 117.51 119.97 3hcr h ILE 706 Ca 0.22 -0.25 0.01 0.00 1.00 0.00 0.00 64.86 65.84 3hcr h ILE 706 Cb 0.39 1.17 -0.03 0.00 -0.74 0.00 0.00 36.82 37.62 3hcr h ILE 706 CO 0.01 0.06 0.34 0.22 0.00 0.00 0.00 178.15 178.77 3hcr h TYR 707 N -0.20 0.64 0.00 1.37 3.20 -1.31 -1.16 116.97 119.51 3hcr h TYR 707 Ca -0.01 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 3hcr h TYR 707 Cb 0.17 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 38.22 3hcr h TYR 707 CO -0.04 0.39 -0.02 0.00 -1.64 0.00 0.00 178.16 176.85 3hcr h ARG 708 N 0.68 0.00 0.00 1.82 3.08 -0.26 -2.62 114.38 117.08 3hcr h ARG 708 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 3hcr h ARG 708 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.99 3hcr h ARG 708 CO -0.05 0.02 0.00 0.98 -1.07 0.00 0.00 179.97 179.85 3hcr n TYR 709 N -4.34 0.00 -0.16 3.04 9.36 0.48 -0.71 117.16 124.83 3hcr n TYR 709 Ca -0.03 0.00 0.29 0.00 3.32 0.00 0.00 57.90 61.48 3hcr n TYR 709 Cb 0.11 -0.49 0.72 0.00 -0.63 0.00 0.00 39.34 39.04 3hcr n TYR 709 CO 0.00 0.00 0.00 1.88 0.22 0.00 0.00 176.86 178.96 3hcr h TYR 710 N 0.00 0.00 0.00 2.98 -1.99 -1.50 0.12 116.97 116.57 3hcr h TYR 710 Ca 0.00 0.00 -0.25 0.00 2.00 0.00 0.00 58.73 60.48 3hcr h TYR 710 Cb 0.00 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 38.69 3hcr h TYR 710 CO 0.18 0.00 -1.35 -0.97 -0.00 0.00 0.00 178.16 176.02 3hcr h ASN 711 N 0.00 0.00 0.92 3.88 -0.73 -1.44 -1.42 115.58 116.79 3hcr h ASN 711 Ca 0.42 0.00 -0.21 0.00 1.87 0.00 0.00 56.30 58.38 3hcr h ASN 711 Cb 1.84 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 40.41 3hcr h ASN 711 CO -0.00 1.00 -0.99 -0.61 -0.37 0.00 0.00 177.43 176.45 3hcr h GLN 712 N 0.00 0.03 0.01 6.67 -0.00 0.12 -3.17 115.11 118.77 3hcr h GLN 712 Ca -0.15 -0.05 -0.22 0.00 -0.00 0.00 0.00 58.65 58.24 3hcr h GLN 712 Cb 1.89 0.02 -0.00 0.00 0.00 0.00 0.00 27.48 29.38 3hcr h GLN 712 CO 0.10 0.99 -0.93 0.28 0.00 0.00 0.00 178.83 179.27 3hcr h VAL 713 N 0.01 1.45 0.00 2.39 2.07 -0.95 -3.48 116.25 117.73 3hcr h VAL 713 Ca -0.02 -2.56 0.00 0.00 0.82 0.00 0.00 66.70 64.94 3hcr h VAL 713 Cb 1.73 2.47 0.00 0.00 -1.52 0.00 0.00 31.29 33.97 3hcr h VAL 713 CO 0.13 0.75 0.00 0.61 0.02 0.00 0.00 177.57 179.09 3hcr n GLY 714 N 0.95 0.80 3.14 2.17 0.00 -0.59 -5.08 105.19 106.58 3hcr n GLY 714 Ca -0.05 -0.30 -0.08 0.00 0.00 0.00 0.00 46.02 45.59 3hcr n GLY 714 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3hcr s ARG 715 N -0.66 0.70 0.50 1.61 1.70 -0.86 -5.03 118.95 116.91 3hcr s ARG 715 Ca 0.00 -1.07 -0.17 0.00 -0.47 0.00 0.00 55.73 54.02 3hcr s ARG 715 Cb 0.00 0.27 -0.08 0.00 -0.57 0.00 0.00 34.95 34.56 3hcr s ARG 715 CO 0.00 -0.18 0.97 0.15 -1.08 0.00 0.00 175.30 175.16 3hcr s LYS 716 N -3.77 3.97 0.68 3.89 3.01 -1.26 -4.61 119.74 121.64 3hcr s LYS 716 Ca 0.05 0.94 -0.17 0.00 -1.01 0.00 0.00 55.97 55.78 3hcr s LYS 716 Cb 0.06 -2.16 0.01 0.00 -1.01 0.00 0.00 37.83 34.73 3hcr s LYS 716 CO -0.10 -0.23 1.26 -2.14 0.51 0.00 0.00 175.35 174.65 3hcr s PRO 717 N -3.96 2.40 -0.10 -1.68 0.02 -1.26 -4.95 135.00 125.46 3hcr s PRO 717 Ca 0.59 1.96 0.14 0.00 0.02 0.00 0.00 61.00 63.71 3hcr s PRO 717 Cb -0.10 -1.84 0.44 0.00 0.02 0.00 0.00 34.50 33.03 3hcr s PRO 717 CO 0.29 -1.69 1.36 0.25 -0.33 0.00 0.00 177.00 176.89 3hcr n THR 718 N -2.19 1.72 -3.77 0.99 -2.24 -1.26 -4.98 114.28 102.55 3hcr n THR 718 Ca 0.15 -1.46 -0.11 0.00 -2.27 0.00 0.00 64.05 60.36 3hcr n THR 718 Cb 0.49 0.09 -0.07 0.00 -2.10 0.00 0.00 70.33 68.73 3hcr n THR 718 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hcr s MET 719 N -1.99 0.81 -0.34 -0.78 0.23 -1.26 -4.87 119.30 111.09 3hcr s MET 719 Ca 0.34 -0.58 -0.29 0.00 -1.03 0.00 0.00 55.69 54.13 3hcr s MET 719 Cb 0.25 0.35 0.02 0.00 -1.53 0.00 0.00 34.83 33.91 3hcr s MET 719 CO 0.13 -0.26 1.14 0.15 -2.03 0.00 0.00 175.02 174.15 3hcr s LYS 720 N -2.77 3.97 0.18 3.16 3.01 -1.05 -4.86 119.74 121.38 3hcr s LYS 720 Ca -0.03 1.03 -0.08 0.00 -1.01 0.00 0.00 55.97 55.87 3hcr s LYS 720 Cb -0.00 -3.80 -0.07 0.00 -1.01 0.00 0.00 37.83 32.95 3hcr s LYS 720 CO -0.05 -1.04 0.48 -1.58 0.51 0.00 0.00 175.35 173.67 3hcr s TRP 721 N 3.98 3.46 0.30 3.18 0.52 -1.26 -0.52 118.94 128.60 3hcr s TRP 721 Ca 0.49 0.77 -0.10 0.00 0.02 0.00 0.00 56.10 57.28 3hcr s TRP 721 Cb -0.12 -2.17 0.01 0.00 -1.15 0.00 0.00 33.47 30.03 3hcr s TRP 721 CO 0.20 0.36 0.52 -1.54 0.02 0.00 0.00 176.95 176.51 3hcr s SER 722 N -2.30 0.28 -0.08 2.95 1.04 -0.75 -4.79 113.70 110.05 3hcr s SER 722 Ca 0.43 -1.16 -0.19 0.00 0.48 0.00 0.00 55.95 55.52 3hcr s SER 722 Cb -0.12 0.65 0.04 0.00 0.10 0.00 0.00 66.02 66.70 3hcr s SER 722 CO 0.22 -1.28 0.45 0.28 0.98 0.00 0.00 173.24 173.89 3hcr s THR 723 N -3.43 0.02 -0.60 2.02 -1.32 -0.10 -0.93 115.64 111.30 3hcr s THR 723 Ca 0.24 -0.20 -0.04 0.00 -1.21 0.00 0.00 61.69 60.49 3hcr s THR 723 Cb -0.01 -0.72 0.16 0.00 -1.51 0.00 0.00 72.50 70.42 3hcr s THR 723 CO 0.13 -0.11 0.43 -0.63 -2.21 0.00 0.00 174.62 172.23 3hcr s ILE 724 N -0.72 3.81 -1.12 5.08 1.01 -0.30 -4.00 121.20 124.97 3hcr s ILE 724 Ca -0.08 -2.75 0.28 0.00 0.00 0.00 0.00 60.65 58.09 3hcr s ILE 724 Cb -0.03 -3.49 0.20 0.00 0.01 0.00 0.00 42.46 39.14 3hcr s ILE 724 CO 0.04 -0.86 1.73 -0.90 0.00 0.00 0.00 174.94 174.95 3hcr n ASP 725 N 3.73 0.27 -3.59 3.58 5.75 -1.26 -2.35 116.55 122.67 3hcr n ASP 725 Ca 0.06 0.03 -0.07 0.00 -0.01 0.00 0.00 54.79 54.80 3hcr n ASP 725 Cb 0.39 -0.15 -0.04 0.00 -1.03 0.00 0.00 41.12 40.29 3hcr n ASP 725 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hcr s ARG 726 N -2.90 0.43 -0.45 0.11 1.70 -1.26 -4.64 118.95 111.93 3hcr s ARG 726 Ca 0.16 0.05 0.06 0.00 -0.47 0.00 0.00 55.73 55.53 3hcr s ARG 726 Cb 0.19 0.20 0.33 0.00 -0.57 0.00 0.00 34.95 35.09 3hcr s ARG 726 CO 0.58 -0.15 1.14 -2.67 -1.08 0.00 0.00 175.30 173.13 3hcr n TRP 727 N 0.51 -2.83 0.28 5.89 4.27 -0.19 -5.02 117.44 120.35 3hcr n TRP 727 Ca -0.06 -2.12 0.15 0.00 -3.89 0.00 0.00 57.50 51.58 3hcr n TRP 727 Cb 0.58 1.63 0.79 0.00 -1.36 0.00 0.00 31.31 32.95 3hcr n TRP 727 CO 0.00 0.00 0.00 -1.00 -2.29 0.00 0.00 177.69 174.40 3hcr h PRO 728 N 2.91 0.00 0.00 -2.67 0.13 -1.72 -3.23 132.00 127.42 3hcr h PRO 728 Ca -0.12 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.00 3hcr h PRO 728 Cb 1.12 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.21 3hcr h PRO 728 CO 0.11 0.09 -0.34 0.25 -0.23 0.00 0.00 178.00 177.88 3hcr n THR 729 N -3.51 1.60 -1.68 1.56 -2.24 -1.26 -4.08 114.28 104.67 3hcr n THR 729 Ca -0.02 -2.24 -0.44 0.00 -2.27 0.00 0.00 64.05 59.08 3hcr n THR 729 Cb 0.22 -0.03 -0.04 0.00 -2.10 0.00 0.00 70.33 68.38 3hcr n THR 729 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 3hcr n HIS 730 N -0.96 2.52 -0.28 4.78 -0.00 -1.22 -4.84 115.22 115.21 3hcr n HIS 730 Ca 0.14 -0.06 0.28 0.00 0.46 0.00 0.00 57.72 58.54 3hcr n HIS 730 Cb 0.72 -2.69 0.63 0.00 -0.12 0.00 0.00 29.99 28.53 3hcr n HIS 730 CO 0.00 0.00 0.00 1.12 0.46 0.00 0.00 176.34 177.92 3hcr h HIS 731 N 8.27 0.30 0.00 1.57 2.07 -1.97 0.16 115.15 125.55 3hcr h HIS 731 Ca -0.47 0.01 -0.01 0.00 -2.85 0.00 0.00 60.37 57.05 3hcr h HIS 731 Cb 1.24 -0.09 -0.00 0.00 2.57 0.00 0.00 27.41 31.13 3hcr h HIS 731 CO 0.78 0.04 -0.34 -0.07 -3.07 0.00 0.00 177.93 175.26 3hcr h LEU 732 N 0.19 0.00 -0.07 6.12 3.38 -1.95 -2.27 115.31 120.71 3hcr h LEU 732 Ca 0.54 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.42 3hcr h LEU 732 Cb 1.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.52 3hcr h LEU 732 CO -0.13 0.05 -0.31 0.25 0.09 0.00 0.00 178.44 178.39 3hcr h LEU 733 N 0.00 0.40 -1.02 1.67 5.85 -1.07 -2.76 115.31 118.38 3hcr h LEU 733 Ca -0.00 -0.64 0.02 0.00 0.84 0.00 0.00 57.88 58.09 3hcr h LEU 733 Cb 1.04 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.90 3hcr h LEU 733 CO 0.01 0.97 0.66 0.40 -0.34 0.00 0.00 178.44 180.14 3hcr h ILE 734 N -0.15 1.23 -0.44 4.05 1.08 -1.29 -2.28 117.51 119.72 3hcr h ILE 734 Ca -0.02 -0.46 -0.06 0.00 -0.39 0.00 0.00 64.86 63.93 3hcr h ILE 734 Cb 0.95 -0.22 -0.02 0.00 -3.07 0.00 0.00 36.82 34.47 3hcr h ILE 734 CO 0.06 0.24 0.01 -0.61 -0.69 0.00 0.00 178.15 177.17 3hcr h GLN 735 N 1.34 0.70 -0.49 2.37 4.15 -1.40 -2.00 115.11 119.78 3hcr h GLN 735 Ca 0.38 -0.17 -0.12 0.00 0.77 0.00 0.00 58.65 59.50 3hcr h GLN 735 Cb -0.11 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.47 3hcr h GLN 735 CO -0.09 0.71 -0.17 0.00 -1.93 0.00 0.00 178.83 177.35 3hcr h PHE 737 N 0.85 0.49 -0.60 0.00 0.05 -1.22 -1.42 116.94 115.10 3hcr h PHE 737 Ca 0.12 -0.08 0.02 0.00 3.82 0.00 0.00 57.97 61.85 3hcr h PHE 737 Cb 0.73 -0.13 -0.04 0.00 2.00 0.00 0.00 35.95 38.51 3hcr h PHE 737 CO 0.05 0.60 0.37 0.00 -0.18 0.00 0.00 178.31 179.15 3hcr h ALA 738 N 0.82 0.78 -0.33 2.45 0.00 -1.32 -0.10 119.26 121.56 3hcr h ALA 738 Ca 0.07 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3hcr h ALA 738 Cb 0.41 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3hcr h ALA 738 CO 0.01 0.12 0.17 -0.44 0.00 0.00 0.00 179.25 179.11 3hcr h ASP 739 N 0.74 0.42 -0.10 0.00 3.45 -1.12 -0.96 116.42 118.85 3hcr h ASP 739 Ca 0.24 -0.11 -0.07 0.00 0.43 0.00 0.00 57.03 57.52 3hcr h ASP 739 Cb 0.00 -0.11 -0.02 0.00 -0.56 0.00 0.00 39.33 38.65 3hcr h ASP 739 CO -0.09 0.41 -0.13 0.45 -1.57 0.00 0.00 179.24 178.30 3hcr h HIS 740 N 0.40 0.48 -0.19 4.55 3.86 -0.94 -1.20 115.15 122.11 3hcr h HIS 740 Ca 0.11 -0.07 -0.07 0.00 -1.16 0.00 0.00 60.37 59.18 3hcr h HIS 740 Cb 0.09 -0.13 -0.00 0.00 1.06 0.00 0.00 27.41 28.42 3hcr h HIS 740 CO -0.02 0.57 -0.14 0.82 0.86 0.00 0.00 177.93 180.02 3hcr h ILE 741 N 0.42 1.32 -0.72 2.45 2.04 -0.73 -2.14 117.51 120.15 3hcr h ILE 741 Ca 0.08 -1.26 -0.01 0.00 1.00 0.00 0.00 64.86 64.67 3hcr h ILE 741 Cb 0.48 1.73 -0.03 0.00 -0.74 0.00 0.00 36.82 38.26 3hcr h ILE 741 CO 0.03 0.38 0.41 -0.07 0.00 0.00 0.00 178.15 178.90 3hcr h LEU 742 N 0.11 0.88 -1.25 1.44 3.38 -1.01 0.25 115.31 119.12 3hcr h LEU 742 Ca 0.04 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 57.94 3hcr h LEU 742 Cb 0.66 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 3hcr h LEU 742 CO 0.04 0.71 0.51 0.50 0.09 0.00 0.00 178.44 180.29 3hcr h LYS 743 N 0.98 0.98 0.08 1.13 3.64 -1.13 -2.25 116.57 120.00 3hcr h LYS 743 Ca 0.25 -0.06 -0.27 0.00 -1.27 0.00 0.00 60.65 59.31 3hcr h LYS 743 Cb 0.02 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.60 3hcr h LYS 743 CO -0.04 0.65 -1.27 1.49 -2.27 0.00 0.00 179.45 178.01 3hcr h GLU 744 N 1.01 0.18 -0.72 1.90 4.57 -0.97 -3.24 114.58 117.32 3hcr h GLU 744 Ca 0.29 -0.31 0.05 0.00 -1.18 0.00 0.00 59.36 58.22 3hcr h GLU 744 Cb -0.06 0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 28.60 3hcr h GLU 744 CO -0.07 1.09 0.47 -0.07 -1.18 0.00 0.00 179.01 179.26 3hcr h LEU 745 N 0.05 0.69 -1.94 1.64 3.38 -0.56 0.39 115.31 118.96 3hcr h LEU 745 Ca -0.14 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.83 3hcr h LEU 745 Cb 1.93 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.53 3hcr h LEU 745 CO 0.17 0.45 0.00 0.44 0.09 0.00 0.00 178.44 179.59 3hcr h ASP 746 N 0.79 0.00 0.36 -0.43 3.45 -1.44 -1.79 116.42 117.36 3hcr h ASP 746 Ca 0.30 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.76 3hcr h ASP 746 Cb 0.20 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.97 3hcr h ASP 746 CO -0.10 0.00 -0.03 1.41 -1.57 0.00 0.00 179.24 178.96 3hcr n HIS 747 N -2.83 0.00 -3.47 4.55 8.25 0.13 -4.80 115.22 117.05 3hcr n HIS 747 Ca -0.01 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.18 3hcr n HIS 747 Cb 0.16 -0.18 -0.02 0.00 1.12 0.00 0.00 29.99 31.07 3hcr n HIS 747 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3hcr s PHE 748 N -2.38 3.49 0.30 4.41 0.40 -0.67 -5.03 117.98 118.48 3hcr s PHE 748 Ca 0.34 0.45 -0.30 0.00 -0.60 0.00 0.00 56.93 56.82 3hcr s PHE 748 Cb 0.21 -1.95 -0.12 0.00 0.51 0.00 0.00 43.02 41.66 3hcr s PHE 748 CO 0.44 0.22 1.48 -2.30 0.70 0.00 0.00 175.22 175.76 3hcr n PRO 749 N -1.12 2.42 -0.30 0.24 -0.02 -1.26 -4.80 135.00 130.16 3hcr n PRO 749 Ca -0.04 0.86 0.22 0.00 -2.02 0.00 0.00 63.50 62.52 3hcr n PRO 749 Cb 0.55 -2.56 0.52 0.00 -0.02 0.00 0.00 33.50 31.98 3hcr n PRO 749 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3hcr h LEU 750 N 4.04 0.41 -0.09 2.45 5.85 -1.93 -0.19 115.31 125.85 3hcr h LEU 750 Ca -0.47 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.32 3hcr h LEU 750 Cb 1.25 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.27 3hcr h LEU 750 CO 0.74 0.11 -0.02 -1.84 -0.34 0.00 0.00 178.44 177.09 3hcr n GLU 751 N -4.56 0.79 0.00 1.25 0.00 -1.26 -3.49 120.64 113.37 3hcr n GLU 751 Ca 0.23 -0.09 0.00 0.00 0.00 0.00 0.00 57.16 57.30 3hcr n GLU 751 Cb 0.83 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.77 3hcr n GLU 751 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3hcr n LYS 752 N -1.02 2.17 -0.28 3.44 4.76 -0.14 -4.78 118.16 122.31 3hcr n LYS 752 Ca 0.19 -0.29 0.08 0.00 -2.87 0.00 0.00 58.31 55.42 3hcr n LYS 752 Cb 0.20 -0.79 0.24 0.00 -1.84 0.00 0.00 35.03 32.83 3hcr n LYS 752 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 3hcr h ARG 753 N 0.00 0.45 0.00 1.97 2.43 -1.45 -0.60 114.38 117.19 3hcr h ARG 753 Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3hcr h ARG 753 Cb 0.01 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 3hcr h ARG 753 CO 0.00 0.30 0.00 -1.13 -1.51 0.00 0.00 179.97 177.63 3hcr n SER 754 N -4.99 0.14 0.00 -3.80 3.41 -1.26 -3.07 113.62 104.05 3hcr n SER 754 Ca 0.18 0.52 0.11 0.00 -0.26 0.00 0.00 58.87 59.41 3hcr n SER 754 Cb 0.50 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 3hcr n SER 754 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3hcr n GLU 755 N -1.64 0.02 -1.80 4.33 4.07 -0.25 -4.81 120.64 120.56 3hcr n GLU 755 Ca 0.06 -0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 56.73 3hcr n GLU 755 Cb 0.30 -1.50 -0.03 0.00 -0.06 0.00 0.00 31.44 30.15 3hcr n GLU 755 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 3hcr s VAL 756 N -3.02 2.21 -0.25 6.31 1.01 -1.08 -4.78 120.40 120.80 3hcr s VAL 756 Ca 0.09 0.15 -0.17 0.00 0.00 0.00 0.00 61.98 62.05 3hcr s VAL 756 Cb 0.16 -3.10 -0.03 0.00 0.00 0.00 0.00 36.38 33.41 3hcr s VAL 756 CO 0.81 0.01 0.47 -0.69 0.00 0.00 0.00 175.10 175.71 3hcr s VAL 757 N 1.06 5.11 -0.28 2.92 1.01 -0.42 -4.12 120.40 125.68 3hcr s VAL 757 Ca 0.72 0.80 -0.24 0.00 0.00 0.00 0.00 61.98 63.27 3hcr s VAL 757 Cb -0.48 -3.79 -0.00 0.00 0.00 0.00 0.00 36.38 32.11 3hcr s VAL 757 CO 0.33 0.13 0.79 -0.63 0.00 0.00 0.00 175.10 175.72 3hcr s ILE 758 N 2.10 4.82 -0.42 2.22 1.01 -0.34 -1.25 121.20 129.33 3hcr s ILE 758 Ca 0.20 1.31 -0.07 0.00 0.00 0.00 0.00 60.65 62.09 3hcr s ILE 758 Cb -0.16 -4.12 0.10 0.00 0.01 0.00 0.00 42.46 38.29 3hcr s ILE 758 CO 0.09 -0.17 0.25 -0.22 0.00 0.00 0.00 174.94 174.89 3hcr s LEU 759 N 2.89 5.26 0.05 2.97 2.96 0.60 -1.74 118.68 131.68 3hcr s LEU 759 Ca 0.33 -1.79 -0.31 0.00 -0.22 0.00 0.00 54.13 52.15 3hcr s LEU 759 Cb -0.15 -1.92 -0.05 0.00 0.50 0.00 0.00 46.19 44.57 3hcr s LEU 759 CO 0.11 -0.57 1.18 -0.36 -1.32 0.00 0.00 176.35 175.39 3hcr s PHE 760 N 1.30 3.45 -0.18 5.38 0.40 0.06 -1.12 117.98 127.27 3hcr s PHE 760 Ca 0.05 1.33 -0.00 0.00 -0.60 0.00 0.00 56.93 57.71 3hcr s PHE 760 Cb -0.24 -3.40 0.04 0.00 0.51 0.00 0.00 43.02 39.94 3hcr s PHE 760 CO -0.01 -1.18 -0.06 0.45 0.70 0.00 0.00 175.22 175.12 3hcr s SER 761 N 1.07 3.05 0.23 1.36 0.15 -0.34 -0.54 113.70 118.68 3hcr s SER 761 Ca 0.58 -0.76 0.11 0.00 0.70 0.00 0.00 55.95 56.58 3hcr s SER 761 Cb -0.29 -0.99 -0.05 0.00 -1.71 0.00 0.00 66.02 62.98 3hcr s SER 761 CO 0.29 -0.18 -0.15 0.00 1.20 0.00 0.00 173.24 174.39 3hcr s ALA 762 N 1.57 2.81 0.21 5.45 0.00 -1.01 -3.46 121.76 127.32 3hcr s ALA 762 Ca -0.00 -1.69 -0.31 0.00 0.00 0.00 0.00 51.96 49.96 3hcr s ALA 762 Cb -0.16 -0.47 -0.10 0.00 0.00 0.00 0.00 23.12 22.39 3hcr s ALA 762 CO -0.08 0.36 1.48 -1.01 0.00 0.00 0.00 175.76 176.51 3hcr s HIS 763 N -2.07 3.06 1.03 0.00 3.76 -1.26 -0.53 115.29 119.28 3hcr s HIS 763 Ca 0.27 0.88 -0.13 0.00 -0.15 0.00 0.00 55.06 55.93 3hcr s HIS 763 Cb -0.07 -3.84 0.21 0.00 1.11 0.00 0.00 32.58 29.99 3hcr s HIS 763 CO 0.14 -2.89 1.09 0.45 -0.85 0.00 0.00 174.74 172.69 3hcr s SER 764 N 0.71 2.33 0.07 1.40 0.15 -0.57 -4.77 113.70 113.01 3hcr s SER 764 Ca 0.64 1.12 0.04 0.00 0.70 0.00 0.00 55.95 58.45 3hcr s SER 764 Cb -0.42 -1.76 -0.03 0.00 -1.71 0.00 0.00 66.02 62.10 3hcr s SER 764 CO 0.38 -3.30 -0.11 -0.76 1.20 0.00 0.00 173.24 170.64 3hcr s LEU 765 N -6.55 2.30 0.37 3.45 1.43 -1.26 -4.94 118.68 113.48 3hcr s LEU 765 Ca 0.66 -0.64 -0.27 0.00 -1.03 0.00 0.00 54.13 52.85 3hcr s LEU 765 Cb -0.18 -0.36 -0.09 0.00 0.03 0.00 0.00 46.19 45.58 3hcr s LEU 765 CO 0.58 -0.16 1.23 -2.84 0.23 0.00 0.00 176.35 175.39 3hcr s PRO 766 N -1.93 4.17 0.55 1.29 0.02 -1.26 -1.50 135.00 136.34 3hcr s PRO 766 Ca -0.03 2.01 0.24 0.00 0.02 0.00 0.00 61.00 63.24 3hcr s PRO 766 Cb -0.08 -2.85 1.45 0.00 0.02 0.00 0.00 34.50 33.03 3hcr s PRO 766 CO 0.01 -0.27 2.07 0.52 -0.33 0.00 0.00 177.00 179.00 3hcr h MET 767 N 2.96 0.00 0.00 5.54 2.86 -1.44 0.12 114.93 124.97 3hcr h MET 767 Ca -0.49 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.10 3hcr h MET 767 Cb 1.23 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.89 3hcr h MET 767 CO 0.64 0.00 -0.23 0.66 1.06 0.00 0.00 176.91 179.04 3hcr h SER 768 N 0.00 0.00 0.19 1.22 4.64 -1.90 0.39 113.55 118.09 3hcr h SER 768 Ca 0.13 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.16 3hcr h SER 768 Cb 0.57 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.68 3hcr h SER 768 CO -0.00 0.23 -1.37 0.58 -0.87 0.00 0.00 176.83 175.40 3hcr h VAL 769 N 0.00 1.22 -0.07 0.95 2.07 -1.16 -3.17 116.25 116.09 3hcr h VAL 769 Ca -0.00 -2.56 0.00 0.00 0.82 0.00 0.00 66.70 64.96 3hcr h VAL 769 Cb 0.51 2.97 -0.01 0.00 -1.52 0.00 0.00 31.29 33.24 3hcr h VAL 769 CO 0.03 0.78 0.03 0.58 0.02 0.00 0.00 177.57 179.01 3hcr h VAL 770 N -0.07 0.99 0.00 2.57 2.07 -1.00 -2.84 116.25 117.98 3hcr h VAL 770 Ca -0.26 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.24 3hcr h VAL 770 Cb 1.96 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 32.64 3hcr h VAL 770 CO 0.19 0.01 0.00 0.59 0.02 0.00 0.00 177.57 178.38 3hcr n ASN 771 N -5.06 0.53 -0.61 0.57 3.02 0.13 -1.22 115.26 112.61 3hcr n ASN 771 Ca -0.06 0.68 0.13 0.00 -0.03 0.00 0.00 54.58 55.31 3hcr n ASN 771 Cb 0.04 -0.78 0.37 0.00 -0.61 0.00 0.00 39.78 38.81 3hcr n ASN 771 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 3hcr n ARG 772 N -2.14 1.81 0.00 3.52 1.85 -1.08 -4.90 116.66 115.71 3hcr n ARG 772 Ca 0.00 -1.23 0.00 0.00 -1.00 0.00 0.00 57.85 55.62 3hcr n ARG 772 Cb 0.12 -1.47 0.00 0.00 -1.05 0.00 0.00 32.46 30.06 3hcr n ARG 772 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3hcr n GLY 773 N 1.24 1.74 3.73 2.89 0.00 -0.36 -1.82 105.19 112.61 3hcr n GLY 773 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3hcr n GLY 773 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hcr s ASP 774 N -2.00 6.54 0.00 1.61 2.15 -1.17 -4.68 116.67 119.12 3hcr s ASP 774 Ca 0.00 2.72 0.23 0.00 0.43 0.00 0.00 52.55 55.92 3hcr s ASP 774 Cb 0.00 -2.61 1.07 0.00 -0.30 0.00 0.00 42.92 41.08 3hcr s ASP 774 CO 0.00 -0.84 1.74 -0.81 -0.17 0.00 0.00 175.17 175.10 3hcr n PRO 775 N 3.36 0.16 0.09 4.34 -0.04 -1.26 -4.28 135.00 137.38 3hcr n PRO 775 Ca 0.12 0.09 -0.13 0.00 -0.04 0.00 0.00 63.50 63.54 3hcr n PRO 775 Cb 0.38 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.28 3hcr n PRO 775 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 3hcr h TYR 776 N 0.00 -0.89 -0.99 0.54 3.20 -1.66 -2.58 116.97 114.58 3hcr h TYR 776 Ca 0.00 0.02 0.17 0.00 3.14 0.00 0.00 58.73 62.06 3hcr h TYR 776 Cb 0.31 0.38 -0.10 0.00 1.54 0.00 0.00 36.73 38.86 3hcr h TYR 776 CO 0.00 -0.43 0.62 -1.35 -1.64 0.00 0.00 178.16 175.36 3hcr h PRO 777 N -0.52 0.79 -0.14 1.82 0.11 -1.87 -1.14 132.00 131.04 3hcr h PRO 777 Ca 0.04 -0.05 -0.16 0.00 0.11 0.00 0.00 66.00 65.94 3hcr h PRO 777 Cb 0.58 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.50 3hcr h PRO 777 CO -0.22 0.53 -0.58 0.37 -0.21 0.00 0.00 178.00 177.88 3hcr h GLN 778 N 0.82 0.47 -0.01 1.05 -0.00 -1.80 -2.32 115.11 113.32 3hcr h GLN 778 Ca 0.54 -0.31 -0.23 0.00 -0.00 0.00 0.00 58.65 58.65 3hcr h GLN 778 Cb 0.77 0.04 0.02 0.00 0.00 0.00 0.00 27.48 28.31 3hcr h GLN 778 CO -0.32 0.92 -0.91 0.93 0.00 0.00 0.00 178.83 179.44 3hcr h GLU 779 N 0.35 0.63 -0.64 1.69 5.08 -1.03 -2.45 114.58 118.20 3hcr h GLU 779 Ca -0.00 -0.67 0.00 0.00 -1.00 0.00 0.00 59.36 57.69 3hcr h GLU 779 Cb 1.12 0.19 -0.03 0.00 0.50 0.00 0.00 28.75 30.53 3hcr h GLU 779 CO 0.10 1.27 0.42 0.28 -1.00 0.00 0.00 179.01 180.08 3hcr h VAL 780 N 0.26 1.17 -0.69 3.13 2.07 -1.26 -0.85 116.25 120.08 3hcr h VAL 780 Ca -0.11 -0.33 0.06 0.00 0.82 0.00 0.00 66.70 67.14 3hcr h VAL 780 Cb 1.58 0.24 -0.04 0.00 -1.52 0.00 0.00 31.29 31.55 3hcr h VAL 780 CO 0.18 0.17 0.45 0.28 0.02 0.00 0.00 177.57 178.67 3hcr h SER 781 N 0.87 0.62 -0.36 0.57 0.02 -1.41 -1.70 113.55 112.17 3hcr h SER 781 Ca 0.23 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 61.05 3hcr h SER 781 Cb -0.08 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.32 3hcr h SER 781 CO -0.05 0.40 -0.31 0.00 -1.14 0.00 0.00 176.83 175.74 3hcr h ALA 782 N 1.63 0.52 -0.41 3.77 0.00 -0.69 -2.50 119.26 121.58 3hcr h ALA 782 Ca 0.30 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3hcr h ALA 782 Cb 0.26 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3hcr h ALA 782 CO -0.10 0.56 0.27 1.15 0.00 0.00 0.00 179.25 181.14 3hcr h THR 783 N 0.64 1.11 -0.61 0.00 2.02 -0.65 -2.28 112.91 113.14 3hcr h THR 783 Ca 0.06 -0.21 0.07 0.00 0.77 0.00 0.00 66.41 67.11 3hcr h THR 783 Cb 0.89 0.51 -0.06 0.00 -1.74 0.00 0.00 68.15 67.75 3hcr h THR 783 CO 0.08 0.11 0.30 0.58 0.37 0.00 0.00 175.52 176.95 3hcr h VAL 784 N 0.56 0.89 -0.58 3.16 2.07 -1.24 -1.99 116.25 119.12 3hcr h VAL 784 Ca 0.15 -0.19 -0.08 0.00 0.82 0.00 0.00 66.70 67.40 3hcr h VAL 784 Cb -0.06 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 29.99 3hcr h VAL 784 CO -0.03 0.10 0.04 -0.61 0.02 0.00 0.00 177.57 177.09 3hcr h GLN 785 N 0.54 0.97 -0.56 1.57 5.75 -1.14 -2.16 115.11 120.08 3hcr h GLN 785 Ca 0.29 -0.27 -0.09 0.00 -0.15 0.00 0.00 58.65 58.43 3hcr h GLN 785 Cb 0.26 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.68 3hcr h GLN 785 CO -0.23 0.93 0.01 0.87 -2.65 0.00 0.00 178.83 177.77 3hcr h LYS 786 N 0.90 0.96 -0.03 1.69 1.79 -1.01 -1.67 116.57 119.21 3hcr h LYS 786 Ca 0.17 -0.28 -0.00 0.00 -2.18 0.00 0.00 60.65 58.36 3hcr h LYS 786 Cb 0.47 -0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 31.02 3hcr h LYS 786 CO 0.02 0.94 0.00 0.28 -1.08 0.00 0.00 179.45 179.61 3hcr h VAL 787 N 0.89 1.21 -0.61 0.50 2.07 -1.17 -1.72 116.25 117.42 3hcr h VAL 787 Ca 0.17 -0.64 -0.02 0.00 0.82 0.00 0.00 66.70 67.02 3hcr h VAL 787 Cb 0.50 1.60 -0.03 0.00 -1.52 0.00 0.00 31.29 31.84 3hcr h VAL 787 CO 0.02 0.17 0.31 0.24 0.02 0.00 0.00 177.57 178.34 3hcr h MET 788 N -0.21 0.85 -0.49 1.57 2.86 -1.35 -1.32 114.93 116.84 3hcr h MET 788 Ca 0.01 -0.10 -0.03 0.00 -2.06 0.00 0.00 59.70 57.52 3hcr h MET 788 Cb 0.27 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.75 3hcr h MET 788 CO 0.00 0.65 0.20 0.93 1.06 0.00 0.00 176.91 179.75 3hcr h GLU 789 N 0.86 0.73 -0.11 1.72 5.08 -1.17 0.42 114.58 122.10 3hcr h GLU 789 Ca 0.21 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 3hcr h GLU 789 Cb 0.06 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 3hcr h GLU 789 CO -0.03 0.65 -0.09 -0.09 -1.00 0.00 0.00 179.01 178.45 3hcr h ARG 790 N 0.65 0.17 -0.05 2.33 9.65 -0.74 -0.48 114.38 125.91 3hcr h ARG 790 Ca 0.16 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 59.01 3hcr h ARG 790 Cb 0.19 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 28.74 3hcr h ARG 790 CO -0.01 0.27 0.00 1.28 2.80 0.00 0.00 179.97 184.31 3hcr n LEU 791 N -4.34 1.41 -2.82 3.80 4.77 -0.55 -4.93 117.00 114.34 3hcr n LEU 791 Ca -0.01 -0.50 -0.21 0.00 -0.03 0.00 0.00 56.01 55.25 3hcr n LEU 791 Cb 0.22 -0.03 0.02 0.00 -2.33 0.00 0.00 43.42 41.30 3hcr n LEU 791 CO 0.37 0.25 -0.10 -0.62 -1.33 0.00 0.00 177.39 175.96 3hcr n GLU 792 N 0.11 -3.66 -3.91 3.23 1.02 -0.05 -2.74 120.64 114.65 3hcr n GLU 792 Ca 0.19 0.89 -0.27 0.00 -0.02 0.00 0.00 57.16 57.95 3hcr n GLU 792 Cb 0.33 -5.67 0.00 0.00 -0.02 0.00 0.00 31.44 26.08 3hcr n GLU 792 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3hcr n TYR 793 N -4.25 -1.88 0.18 -0.32 4.01 -0.11 -4.86 117.16 109.92 3hcr n TYR 793 Ca -0.15 0.82 0.03 0.00 -0.16 0.00 0.00 57.90 58.44 3hcr n TYR 793 Cb 0.64 -3.87 0.42 0.00 -0.31 0.00 0.00 39.34 36.21 3hcr n TYR 793 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hcr s ASN 795 N -6.95 1.78 0.60 0.00 -0.87 -1.26 -4.95 114.94 103.29 3hcr s ASN 795 Ca -0.04 -1.24 -0.14 0.00 -1.57 0.00 0.00 52.86 49.88 3hcr s ASN 795 Cb 0.15 0.02 -0.04 0.00 -0.02 0.00 0.00 41.25 41.36 3hcr s ASN 795 CO 0.72 -0.54 1.03 -2.16 -2.57 0.00 0.00 177.10 173.58 3hcr s PRO 796 N -3.88 3.51 0.18 -0.60 0.04 -1.26 -4.89 135.00 128.10 3hcr s PRO 796 Ca 0.29 0.96 -0.11 0.00 0.04 0.00 0.00 61.00 62.18 3hcr s PRO 796 Cb 0.06 -2.07 -0.00 0.00 0.04 0.00 0.00 34.50 32.53 3hcr s PRO 796 CO 0.09 -0.64 0.34 1.52 0.04 0.00 0.00 177.00 178.35 3hcr s TYR 797 N -2.82 0.31 -0.07 0.56 -0.85 -1.26 -1.20 117.35 112.01 3hcr s TYR 797 Ca 0.59 -0.67 -0.15 0.00 -0.52 0.00 0.00 57.07 56.33 3hcr s TYR 797 Cb -0.12 0.04 0.03 0.00 0.38 0.00 0.00 41.96 42.28 3hcr s TYR 797 CO 0.43 -0.77 0.35 0.50 -1.52 0.00 0.00 175.55 174.54 3hcr s ARG 798 N -3.95 0.58 -0.31 -3.49 6.06 -0.71 -4.96 118.95 112.16 3hcr s ARG 798 Ca 0.16 0.14 -0.10 0.00 -2.50 0.00 0.00 55.73 53.43 3hcr s ARG 798 Cb 0.02 0.26 -0.01 0.00 0.06 0.00 0.00 34.95 35.28 3hcr s ARG 798 CO 0.00 -0.13 0.16 -1.17 -2.50 0.00 0.00 175.30 171.66 3hcr s LEU 799 N -0.64 4.11 0.41 -0.88 2.96 -1.26 -0.76 118.68 122.62 3hcr s LEU 799 Ca -0.07 -0.43 0.07 0.00 -0.22 0.00 0.00 54.13 53.47 3hcr s LEU 799 Cb -0.04 -2.03 -0.08 0.00 0.50 0.00 0.00 46.19 44.55 3hcr s LEU 799 CO 0.03 -0.17 0.03 0.68 -1.32 0.00 0.00 176.35 175.59 3hcr s VAL 800 N 1.64 2.03 -0.07 1.68 -7.23 0.30 -4.77 120.40 113.97 3hcr s VAL 800 Ca 0.05 -1.97 0.03 0.00 -1.81 0.00 0.00 61.98 58.28 3hcr s VAL 800 Cb -0.17 -3.00 0.00 0.00 0.56 0.00 0.00 36.38 33.78 3hcr s VAL 800 CO 0.07 0.00 -0.18 0.26 -0.31 0.00 0.00 175.10 174.94 3hcr s TRP 801 N -2.70 1.97 0.36 2.82 0.52 0.44 -2.39 118.94 119.96 3hcr s TRP 801 Ca 0.35 -0.74 0.08 0.00 0.02 0.00 0.00 56.10 55.82 3hcr s TRP 801 Cb 0.09 -1.36 -0.03 0.00 -1.15 0.00 0.00 33.47 31.03 3hcr s TRP 801 CO 0.18 -0.31 0.26 1.14 0.02 0.00 0.00 176.95 178.24 3hcr s GLN 802 N 0.39 2.56 -1.45 4.98 -2.07 0.31 -1.12 119.66 123.26 3hcr s GLN 802 Ca -0.14 -1.44 -0.02 0.00 -1.82 0.00 0.00 55.36 51.94 3hcr s GLN 802 Cb -0.16 -2.34 0.01 0.00 -1.09 0.00 0.00 33.01 29.43 3hcr s GLN 802 CO 0.06 0.03 0.18 0.43 -1.32 0.00 0.00 175.29 174.67 3hcr n SER 803 N -1.34 -5.09 -4.74 12.60 7.64 -1.26 -1.52 113.62 119.91 3hcr n SER 803 Ca -0.01 -0.05 -0.40 0.00 1.01 0.00 0.00 58.87 59.42 3hcr n SER 803 Cb 0.61 -4.22 0.01 0.00 -1.01 0.00 0.00 64.21 59.60 3hcr n SER 803 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 3hcr n LYS 804 N -3.24 2.18 -4.73 1.43 2.85 -1.26 -4.85 118.16 110.54 3hcr n LYS 804 Ca -0.16 0.78 -0.26 0.00 -1.05 0.00 0.00 58.31 57.62 3hcr n LYS 804 Cb 0.63 -2.55 -0.16 0.00 -0.65 0.00 0.00 35.03 32.30 3hcr n LYS 804 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 3hcr s VAL 805 N -1.19 1.32 0.00 0.58 -7.23 -1.26 -5.09 120.40 107.54 3hcr s VAL 805 Ca 0.60 -0.61 0.00 0.00 -1.81 0.00 0.00 61.98 60.16 3hcr s VAL 805 Cb -0.47 -1.17 0.00 0.00 0.56 0.00 0.00 36.38 35.30 3hcr s VAL 805 CO 0.58 0.39 0.00 0.61 -0.31 0.00 0.00 175.10 176.37 3hcr n GLY 806 N 3.54 -2.37 0.03 2.32 0.00 -1.26 -4.79 105.19 102.65 3hcr n GLY 806 Ca -0.21 -2.16 0.11 0.00 0.00 0.00 0.00 46.02 43.77 3hcr n GLY 806 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hcr n PRO 807 N -0.17 0.31 -1.12 1.61 -0.04 -1.26 -4.99 135.00 129.34 3hcr n PRO 807 Ca 0.00 -0.03 -0.29 0.00 -0.04 0.00 0.00 63.50 63.14 3hcr n PRO 807 Cb 0.00 -1.57 0.17 0.00 -0.04 0.00 0.00 33.50 32.06 3hcr n PRO 807 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 3hcr s MET 808 N -3.22 0.67 0.10 0.54 -1.94 -1.26 -4.97 119.30 109.21 3hcr s MET 808 Ca 0.02 0.70 -0.30 0.00 -1.71 0.00 0.00 55.69 54.40 3hcr s MET 808 Cb 0.14 -1.75 -0.06 0.00 2.01 0.00 0.00 34.83 35.17 3hcr s MET 808 CO 0.83 -2.61 1.17 -2.14 -0.01 0.00 0.00 175.02 172.26 3hcr s PRO 809 N -4.90 4.47 0.15 2.03 0.02 -1.26 -5.00 135.00 130.52 3hcr s PRO 809 Ca 0.65 1.76 0.08 0.00 0.02 0.00 0.00 61.00 63.51 3hcr s PRO 809 Cb -0.19 -3.32 -0.04 0.00 0.02 0.00 0.00 34.50 30.97 3hcr s PRO 809 CO 0.58 -0.17 -0.18 -1.58 -0.33 0.00 0.00 177.00 175.32 3hcr s TRP 810 N 0.69 1.77 0.11 6.54 0.52 -1.26 -1.16 118.94 126.15 3hcr s TRP 810 Ca 0.56 -0.47 -0.31 0.00 0.02 0.00 0.00 56.10 55.90 3hcr s TRP 810 Cb -0.30 -0.90 -0.10 0.00 -1.15 0.00 0.00 33.47 31.03 3hcr s TRP 810 CO 0.31 0.30 1.82 -1.17 0.02 0.00 0.00 176.95 178.23 3hcr s LEU 811 N -2.58 4.40 0.00 2.99 2.96 -0.56 -4.78 118.68 121.11 3hcr s LEU 811 Ca 0.14 2.72 0.01 0.00 -0.22 0.00 0.00 54.13 56.78 3hcr s LEU 811 Cb -0.06 -3.56 0.01 0.00 0.50 0.00 0.00 46.19 43.08 3hcr s LEU 811 CO 0.06 -0.99 0.09 0.61 -1.32 0.00 0.00 176.35 174.80 3hcr n GLY 812 N 4.23 3.39 3.77 7.98 0.00 -1.26 -4.68 105.19 118.62 3hcr n GLY 812 Ca 0.18 -2.25 -0.37 0.00 0.00 0.00 0.00 46.02 43.58 3hcr n GLY 812 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hcr s PRO 813 N -2.91 3.49 0.43 1.61 0.04 -1.26 -4.84 135.00 131.57 3hcr s PRO 813 Ca 0.07 1.81 -0.22 0.00 0.04 0.00 0.00 61.00 62.69 3hcr s PRO 813 Cb -0.01 -2.24 -0.09 0.00 0.04 0.00 0.00 34.50 32.21 3hcr s PRO 813 CO 0.05 -0.79 1.04 -0.65 0.04 0.00 0.00 177.00 176.69 3hcr s GLN 814 N -2.94 4.02 0.17 4.56 -0.21 -1.26 -0.42 119.66 123.59 3hcr s GLN 814 Ca 0.68 1.45 -0.12 0.00 0.02 0.00 0.00 55.36 57.39 3hcr s GLN 814 Cb -0.29 -2.35 0.08 0.00 1.00 0.00 0.00 33.01 31.44 3hcr s GLN 814 CO 0.34 -0.26 1.74 1.15 -2.12 0.00 0.00 175.29 176.14 3hcr h THR 815 N 1.93 1.22 0.26 -0.19 2.02 -1.46 -1.85 112.91 114.85 3hcr h THR 815 Ca -0.49 -0.68 0.00 0.00 0.77 0.00 0.00 66.41 66.02 3hcr h THR 815 Cb 1.22 0.56 -0.04 0.00 -1.74 0.00 0.00 68.15 68.15 3hcr h THR 815 CO 0.61 0.27 -0.52 0.44 0.37 0.00 0.00 175.52 176.69 3hcr h ASP 816 N 0.82 -1.50 -0.73 4.18 3.45 -1.93 -1.66 116.42 119.05 3hcr h ASP 816 Ca 0.20 0.15 0.09 0.00 0.43 0.00 0.00 57.03 57.90 3hcr h ASP 816 Cb 0.18 0.53 -0.07 0.00 -0.56 0.00 0.00 39.33 39.41 3hcr h ASP 816 CO -0.02 -0.60 0.37 -0.33 -1.57 0.00 0.00 179.24 177.10 3hcr h GLU 817 N -0.84 0.61 -0.69 3.56 5.08 -1.94 -2.34 114.58 118.01 3hcr h GLU 817 Ca -0.02 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 3hcr h GLU 817 Cb 0.80 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.88 3hcr h GLU 817 CO -0.20 0.40 0.35 0.77 -1.00 0.00 0.00 179.01 179.32 3hcr h SER 818 N 0.63 0.89 -0.03 1.42 0.02 -1.04 0.68 113.55 116.12 3hcr h SER 818 Ca 0.36 -0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 61.18 3hcr h SER 818 Cb 0.38 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.69 3hcr h SER 818 CO -0.27 0.76 0.00 0.40 -1.14 0.00 0.00 176.83 176.59 3hcr h ILE 819 N 0.96 1.23 0.47 3.27 2.04 -1.01 0.42 117.51 124.89 3hcr h ILE 819 Ca 0.24 -0.70 -0.02 0.00 1.00 0.00 0.00 64.86 65.38 3hcr h ILE 819 Cb 0.10 1.65 -0.00 0.00 -0.74 0.00 0.00 36.82 37.83 3hcr h ILE 819 CO -0.03 0.19 -0.26 0.50 0.00 0.00 0.00 178.15 178.54 3hcr h LYS 820 N -0.23 -0.66 -0.59 2.37 3.64 -1.25 -1.03 116.57 118.82 3hcr h LYS 820 Ca 0.01 0.04 0.10 0.00 -1.27 0.00 0.00 60.65 59.54 3hcr h LYS 820 Cb 0.30 0.15 -0.08 0.00 -0.41 0.00 0.00 32.23 32.19 3hcr h LYS 820 CO 0.00 -0.44 0.18 0.78 -2.27 0.00 0.00 179.45 177.70 3hcr h GLY 821 N -0.68 0.80 1.06 5.01 0.00 0.41 -0.68 103.07 108.99 3hcr h GLY 821 Ca -0.06 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.20 3hcr h GLY 821 CO 0.07 -0.07 0.59 1.41 0.00 0.00 0.00 176.54 178.55 3hcr h LEU 822 N 0.33 1.11 -0.58 3.11 3.38 0.11 -2.55 115.31 120.21 3hcr h LEU 822 Ca 0.31 -0.05 -0.12 0.00 0.09 0.00 0.00 57.88 58.10 3hcr h LEU 822 Cb 0.42 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3hcr h LEU 822 CO -0.35 0.83 -0.20 0.00 0.09 0.00 0.00 178.44 178.81 3hcr n GLU 824 N -4.12 0.01 -0.28 0.00 1.02 -0.37 -2.31 120.64 114.60 3hcr n GLU 824 Ca 0.00 0.38 0.08 0.00 -0.02 0.00 0.00 57.16 57.60 3hcr n GLU 824 Cb 0.44 -1.50 0.18 0.00 -0.02 0.00 0.00 31.44 30.54 3hcr n GLU 824 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3hcr n ARG 825 N -1.48 1.79 0.00 3.49 1.74 -0.84 -5.00 116.66 116.36 3hcr n ARG 825 Ca 0.02 -2.78 0.00 0.00 -0.77 0.00 0.00 57.85 54.32 3hcr n ARG 825 Cb 0.07 -1.63 0.00 0.00 -1.02 0.00 0.00 32.46 29.88 3hcr n ARG 825 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hcr n GLY 826 N -1.14 1.51 3.50 -0.13 0.00 -0.98 -5.02 105.19 102.94 3hcr n GLY 826 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 3hcr n GLY 826 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hcr s ARG 827 N -0.69 3.17 0.04 1.61 1.81 -1.00 -4.85 118.95 119.04 3hcr s ARG 827 Ca 0.00 -0.54 0.24 0.00 -1.72 0.00 0.00 55.73 53.71 3hcr s ARG 827 Cb 0.00 -4.19 0.37 0.00 -0.45 0.00 0.00 34.95 30.69 3hcr s ARG 827 CO 0.00 -1.88 1.32 1.63 -0.68 0.00 0.00 175.30 175.68 3hcr n LYS 828 N 8.24 0.12 -4.09 3.54 4.76 -1.26 -3.96 118.16 125.51 3hcr n LYS 828 Ca -0.01 0.02 -0.33 0.00 -2.87 0.00 0.00 58.31 55.13 3hcr n LYS 828 Cb 0.47 -1.56 -0.15 0.00 -1.84 0.00 0.00 35.03 31.94 3hcr n LYS 828 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 3hcr s ASN 829 N -3.47 3.84 -0.03 4.39 -0.87 -1.26 -1.53 114.94 116.01 3hcr s ASN 829 Ca 0.08 -1.05 0.05 0.00 -1.57 0.00 0.00 52.86 50.38 3hcr s ASN 829 Cb 0.16 -1.52 -0.01 0.00 -0.02 0.00 0.00 41.25 39.86 3hcr s ASN 829 CO 0.73 -0.10 -0.19 -0.63 -2.57 0.00 0.00 177.10 174.33 3hcr s ILE 830 N 1.19 1.57 -0.26 0.60 1.01 0.12 -1.30 121.20 124.14 3hcr s ILE 830 Ca -0.02 -0.83 0.03 0.00 0.00 0.00 0.00 60.65 59.83 3hcr s ILE 830 Cb -0.17 -1.32 0.06 0.00 0.01 0.00 0.00 42.46 41.04 3hcr s ILE 830 CO -0.09 0.45 -0.11 -0.22 0.00 0.00 0.00 174.94 174.97 3hcr s LEU 831 N -0.26 3.33 0.14 2.97 2.96 -0.38 -0.87 118.68 126.57 3hcr s LEU 831 Ca 0.03 -1.36 -0.25 0.00 -0.22 0.00 0.00 54.13 52.32 3hcr s LEU 831 Cb -0.10 -1.51 -0.07 0.00 0.50 0.00 0.00 46.19 45.01 3hcr s LEU 831 CO 0.01 -0.19 0.77 -0.76 -1.32 0.00 0.00 176.35 174.85 3hcr s LEU 832 N 1.14 4.56 -0.16 -0.68 1.43 0.13 -0.29 118.68 124.81 3hcr s LEU 832 Ca -0.08 1.59 0.00 0.00 -1.03 0.00 0.00 54.13 54.61 3hcr s LEU 832 Cb -0.20 -3.27 0.03 0.00 0.03 0.00 0.00 46.19 42.79 3hcr s LEU 832 CO -0.05 0.17 -0.10 -0.69 0.23 0.00 0.00 176.35 175.91 3hcr s VAL 833 N -0.92 1.41 -0.98 -1.59 1.01 -0.27 -1.28 120.40 117.77 3hcr s VAL 833 Ca 0.36 -0.69 -0.23 0.00 0.00 0.00 0.00 61.98 61.41 3hcr s VAL 833 Cb -0.22 -1.44 0.00 0.00 0.00 0.00 0.00 36.38 34.72 3hcr s VAL 833 CO 0.25 0.29 1.70 -2.16 0.00 0.00 0.00 175.10 175.18 3hcr s PRO 834 N 1.53 3.11 0.00 2.72 0.04 -1.26 -1.20 135.00 139.93 3hcr s PRO 834 Ca 0.02 -0.78 0.27 0.00 0.04 0.00 0.00 61.00 60.54 3hcr s PRO 834 Cb -0.14 -5.23 0.82 0.00 0.04 0.00 0.00 34.50 29.98 3hcr s PRO 834 CO -0.09 -2.79 1.61 1.51 0.04 0.00 0.00 177.00 177.28 3hcr n ILE 835 N 7.34 0.00 -0.50 0.56 0.13 -1.22 -4.42 119.36 121.25 3hcr n ILE 835 Ca 0.37 -0.08 0.00 0.00 -1.10 0.00 0.00 62.75 61.94 3hcr n ILE 835 Cb 0.49 0.24 0.00 0.00 -0.84 0.00 0.00 39.64 39.53 3hcr n ILE 835 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3hcr n ALA 836 N -0.91 1.38 -3.67 1.51 0.00 -1.26 -4.99 120.51 112.57 3hcr n ALA 836 Ca 0.11 -0.50 -0.16 0.00 0.00 0.00 0.00 53.44 52.89 3hcr n ALA 836 Cb 0.33 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.63 3hcr n ALA 836 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3hcr s PHE 837 N -0.25 -0.25 -1.69 0.00 2.19 -1.26 -4.71 117.98 112.00 3hcr s PHE 837 Ca 0.00 0.72 0.26 0.00 0.33 0.00 0.00 56.93 58.24 3hcr s PHE 837 Cb 0.00 -0.19 1.40 0.00 -1.31 0.00 0.00 43.02 42.92 3hcr s PHE 837 CO 0.00 -0.30 1.88 0.25 1.83 0.00 0.00 175.22 178.88 3hcr n THR 838 N 5.32 0.11 -4.36 0.12 -2.24 -1.26 -4.85 114.28 107.11 3hcr n THR 838 Ca -0.05 0.03 -0.19 0.00 -2.27 0.00 0.00 64.05 61.57 3hcr n THR 838 Cb 0.50 -0.61 -0.10 0.00 -2.10 0.00 0.00 70.33 68.01 3hcr n THR 838 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3hcr s SER 839 N -2.31 2.34 0.54 3.42 1.04 -1.26 -2.90 113.70 114.57 3hcr s SER 839 Ca 0.31 -1.15 -0.21 0.00 0.48 0.00 0.00 55.95 55.37 3hcr s SER 839 Cb 0.17 -0.09 -0.06 0.00 0.10 0.00 0.00 66.02 66.15 3hcr s SER 839 CO 0.35 -0.36 1.24 0.47 0.98 0.00 0.00 173.24 175.91 3hcr n ASP 840 N -0.46 2.15 -2.61 7.02 8.00 -1.26 -5.00 116.55 124.40 3hcr n ASP 840 Ca -0.06 0.95 -0.10 0.00 0.71 0.00 0.00 54.79 56.28 3hcr n ASP 840 Cb 0.63 -1.51 -0.01 0.00 -0.02 0.00 0.00 41.12 40.21 3hcr n ASP 840 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hcr n HIS 841 N -1.11 -1.62 -1.72 1.24 1.44 -1.26 -4.76 115.22 107.44 3hcr n HIS 841 Ca 0.11 -1.82 -0.43 0.00 -2.01 0.00 0.00 57.72 53.58 3hcr n HIS 841 Cb 0.44 0.58 -0.03 0.00 0.12 0.00 0.00 29.99 31.11 3hcr n HIS 841 CO 0.00 0.00 0.00 -0.89 -2.81 0.00 0.00 176.34 172.64 3hcr n ILE 842 N -0.47 0.27 -2.24 0.61 5.41 -1.26 -4.99 119.36 116.69 3hcr n ILE 842 Ca -0.02 -0.07 -0.27 0.00 1.00 0.00 0.00 62.75 63.39 3hcr n ILE 842 Cb 0.49 -1.91 0.16 0.00 -0.71 0.00 0.00 39.64 37.67 3hcr n ILE 842 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 3hcr s GLU 843 N 0.70 1.04 0.57 0.38 2.02 -1.26 -5.03 118.70 117.13 3hcr s GLU 843 Ca 0.73 -0.77 -0.05 0.00 0.02 0.00 0.00 54.97 54.90 3hcr s GLU 843 Cb -0.53 -2.06 0.01 0.00 0.10 0.00 0.00 34.13 31.65 3hcr s GLU 843 CO 0.37 -2.02 0.87 0.95 0.02 0.00 0.00 175.26 175.45 3hcr s THR 844 N -3.57 3.58 0.21 3.63 -4.23 -1.26 -4.89 115.64 109.12 3hcr s THR 844 Ca 0.71 -0.12 -0.12 0.00 -1.18 0.00 0.00 61.69 60.98 3hcr s THR 844 Cb -0.04 -3.41 0.21 0.00 1.34 0.00 0.00 72.50 70.60 3hcr s THR 844 CO 0.49 -0.40 1.64 0.25 -0.54 0.00 0.00 174.62 176.07 3hcr h LEU 845 N -0.10 -0.45 -0.98 4.79 5.85 -1.98 -1.10 115.31 121.34 3hcr h LEU 845 Ca -0.45 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.44 3hcr h LEU 845 Cb 1.26 0.34 0.00 0.00 0.37 0.00 0.00 40.66 42.63 3hcr h LEU 845 CO 0.60 -0.17 0.00 1.88 -0.34 0.00 0.00 178.44 180.41 3hcr h TYR 846 N 0.05 0.00 0.15 1.25 -1.99 -1.95 -1.85 116.97 112.62 3hcr h TYR 846 Ca 0.31 0.00 -0.33 0.00 2.00 0.00 0.00 58.73 60.71 3hcr h TYR 846 Cb 0.49 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.22 3hcr h TYR 846 CO -0.44 0.00 -1.66 0.93 -0.00 0.00 0.00 178.16 176.99 3hcr h GLU 847 N 0.00 0.31 0.00 4.88 5.08 -1.63 -3.43 114.58 119.79 3hcr h GLU 847 Ca 0.00 -0.53 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 3hcr h GLU 847 Cb 0.51 0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.96 3hcr h GLU 847 CO 0.00 1.19 0.00 1.28 -1.00 0.00 0.00 179.01 180.48 3hcr n LEU 848 N -3.50 0.70 -4.57 1.33 4.77 -0.63 -4.89 117.00 110.22 3hcr n LEU 848 Ca -0.21 0.13 -0.47 0.00 -0.03 0.00 0.00 56.01 55.43 3hcr n LEU 848 Cb 1.06 -0.26 -0.05 0.00 -2.33 0.00 0.00 43.42 41.84 3hcr n LEU 848 CO 0.50 -0.26 1.75 -0.67 -1.33 0.00 0.00 177.39 177.39 3hcr n ASP 849 N -1.66 2.95 0.22 -1.43 -0.08 -0.71 -4.86 116.55 110.98 3hcr n ASP 849 Ca 0.00 0.46 0.09 0.00 -1.51 0.00 0.00 54.79 53.83 3hcr n ASP 849 Cb 0.00 -1.42 0.42 0.00 2.34 0.00 0.00 41.12 42.47 3hcr n ASP 849 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 3hcr h ILE 850 N 6.73 0.59 -0.38 5.18 2.10 -1.90 -3.17 117.51 126.66 3hcr h ILE 850 Ca -0.38 -1.20 -0.15 0.00 1.08 0.00 0.00 64.86 64.21 3hcr h ILE 850 Cb 1.27 1.81 -0.01 0.00 -1.09 0.00 0.00 36.82 38.81 3hcr h ILE 850 CO 0.98 0.24 -0.34 -0.33 -1.08 0.00 0.00 178.15 177.62 3hcr h GLU 851 N 0.00 0.87 -0.12 2.19 5.08 -1.96 -3.07 114.58 117.57 3hcr h GLU 851 Ca -0.00 -0.43 -0.16 0.00 -1.00 0.00 0.00 59.36 57.77 3hcr h GLU 851 Cb 0.79 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 3hcr h GLU 851 CO 0.03 1.07 -0.63 1.88 -1.00 0.00 0.00 179.01 180.37 3hcr h TYR 852 N 0.72 0.55 0.00 4.33 0.05 -1.90 -3.17 116.97 117.55 3hcr h TYR 852 Ca 0.07 -0.21 -0.07 0.00 0.05 0.00 0.00 58.73 58.56 3hcr h TYR 852 Cb 0.91 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 38.54 3hcr h TYR 852 CO 0.05 0.94 -0.35 0.66 -1.05 0.00 0.00 178.16 178.41 3hcr h SER 853 N 0.31 0.00 -0.06 3.88 4.64 -1.54 -2.23 113.55 118.55 3hcr h SER 853 Ca -0.01 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.28 3hcr h SER 853 Cb 1.17 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3hcr h SER 853 CO 0.11 0.35 -0.09 1.56 -0.87 0.00 0.00 176.83 177.89 3hcr h GLN 854 N 0.00 0.17 -1.00 4.77 1.08 -1.51 -1.53 115.11 117.09 3hcr h GLN 854 Ca -0.00 -0.10 0.09 0.00 -1.45 0.00 0.00 58.65 57.18 3hcr h GLN 854 Cb 0.65 0.01 -0.07 0.00 -0.05 0.00 0.00 27.48 28.02 3hcr h GLN 854 CO 0.05 0.66 0.64 0.28 -0.95 0.00 0.00 178.83 179.50 3hcr h VAL 855 N -0.30 1.02 0.60 -0.54 2.07 -1.51 0.62 116.25 118.21 3hcr h VAL 855 Ca 0.01 -0.38 -0.03 0.00 0.82 0.00 0.00 66.70 67.12 3hcr h VAL 855 Cb 0.64 -0.18 0.01 0.00 -1.52 0.00 0.00 31.29 30.23 3hcr h VAL 855 CO 0.02 0.20 -0.29 0.25 0.02 0.00 0.00 177.57 177.78 3hcr h LEU 856 N 1.10 -0.68 -1.37 2.57 5.85 -1.24 -2.50 115.31 119.04 3hcr h LEU 856 Ca 0.46 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 59.13 3hcr h LEU 856 Cb 0.29 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 3hcr h LEU 856 CO -0.21 -0.47 -0.31 0.00 -0.34 0.00 0.00 178.44 177.12 3hcr h ALA 857 N -0.43 1.35 0.00 1.25 0.00 -0.92 0.35 119.26 120.86 3hcr h ALA 857 Ca -0.08 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.46 3hcr h ALA 857 Cb 0.62 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3hcr h ALA 857 CO 0.13 0.38 -0.43 -0.22 0.00 0.00 0.00 179.25 179.12 3hcr h LYS 858 N 0.00 0.00 0.00 0.00 3.64 -0.76 -0.67 116.57 118.78 3hcr h LYS 858 Ca -0.00 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 59.10 3hcr h LYS 858 Cb 0.60 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.36 3hcr h LYS 858 CO 0.04 0.43 -2.04 0.39 -2.27 0.00 0.00 179.45 175.99 3hcr n GLU 859 N -3.68 1.39 0.00 1.90 1.02 -0.95 -4.65 120.64 115.67 3hcr n GLU 859 Ca -0.01 0.01 0.05 0.00 -0.02 0.00 0.00 57.16 57.19 3hcr n GLU 859 Cb 0.51 -1.39 0.02 0.00 -0.02 0.00 0.00 31.44 30.56 3hcr n GLU 859 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hcr n GLY 861 N 0.74 -0.34 3.70 0.00 0.00 -0.26 -4.88 105.19 104.15 3hcr n GLY 861 Ca 0.05 0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3hcr n GLY 861 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hcr s VAL 862 N -3.51 2.50 -0.17 1.61 1.01 -1.25 -4.89 120.40 115.70 3hcr s VAL 862 Ca 0.07 0.10 -0.13 0.00 0.00 0.00 0.00 61.98 62.03 3hcr s VAL 862 Cb -0.03 -3.07 -0.07 0.00 0.00 0.00 0.00 36.38 33.21 3hcr s VAL 862 CO 0.78 0.00 -0.10 -0.62 0.00 0.00 0.00 175.10 175.16 3hcr n GLU 863 N 5.32 0.49 -3.71 2.72 1.02 -0.82 -4.87 120.64 120.79 3hcr n GLU 863 Ca 0.17 0.51 -0.15 0.00 -0.02 0.00 0.00 57.16 57.67 3hcr n GLU 863 Cb 0.38 -1.68 -0.15 0.00 -0.02 0.00 0.00 31.44 29.97 3hcr n GLU 863 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3hcr s ASN 864 N -6.08 0.22 -0.28 1.62 -0.87 -0.58 -5.02 114.94 103.94 3hcr s ASN 864 Ca -0.20 0.36 0.02 0.00 -1.57 0.00 0.00 52.86 51.46 3hcr s ASN 864 Cb 0.04 0.28 0.08 0.00 -0.02 0.00 0.00 41.25 41.63 3hcr s ASN 864 CO 0.33 -0.19 -0.00 -0.63 -2.57 0.00 0.00 177.10 174.04 3hcr s ILE 865 N 1.69 1.70 0.29 0.60 1.01 -1.26 0.12 121.20 125.35 3hcr s ILE 865 Ca -0.04 -1.62 0.11 0.00 0.00 0.00 0.00 60.65 59.11 3hcr s ILE 865 Cb -0.12 -2.08 -0.05 0.00 0.01 0.00 0.00 42.46 40.22 3hcr s ILE 865 CO -0.06 -0.34 -0.18 -0.13 0.00 0.00 0.00 174.94 174.23 3hcr s ARG 866 N 1.26 1.71 -0.06 2.79 0.52 -0.05 -5.00 118.95 120.12 3hcr s ARG 866 Ca 0.01 -1.81 0.03 0.00 -0.52 0.00 0.00 55.73 53.45 3hcr s ARG 866 Cb -0.19 -1.76 0.00 0.00 0.52 0.00 0.00 34.95 33.53 3hcr s ARG 866 CO -0.10 0.29 -0.16 0.50 0.02 0.00 0.00 175.30 175.85 3hcr s ARG 867 N -3.53 1.94 0.58 3.54 3.52 -1.26 0.18 118.95 123.92 3hcr s ARG 867 Ca 0.31 -0.56 -0.17 0.00 -0.13 0.00 0.00 55.73 55.17 3hcr s ARG 867 Cb -0.03 -1.60 -0.04 0.00 -1.56 0.00 0.00 34.95 31.72 3hcr s ARG 867 CO 0.15 0.14 1.10 0.00 -0.81 0.00 0.00 175.30 175.88 3hcr s ALA 868 N 0.36 2.66 0.67 6.12 0.00 -0.40 -4.95 121.76 126.22 3hcr s ALA 868 Ca -0.11 0.62 -0.15 0.00 0.00 0.00 0.00 51.96 52.32 3hcr s ALA 868 Cb -0.14 -3.31 0.01 0.00 0.00 0.00 0.00 23.12 19.68 3hcr s ALA 868 CO 0.04 -0.86 1.14 -1.21 0.00 0.00 0.00 175.76 174.87 3hcr s GLU 869 N -3.68 2.65 0.45 0.00 2.02 -1.26 -4.66 118.70 114.22 3hcr s GLU 869 Ca 0.68 1.53 -0.17 0.00 0.02 0.00 0.00 54.97 57.04 3hcr s GLU 869 Cb -0.20 -1.92 -0.09 0.00 0.10 0.00 0.00 34.13 32.02 3hcr s GLU 869 CO 0.32 -1.39 0.90 -1.12 0.02 0.00 0.00 175.26 173.99 3hcr s SER 870 N -2.31 6.71 0.00 -0.19 0.01 -1.26 -4.88 113.70 111.78 3hcr s SER 870 Ca 0.70 1.49 0.00 0.00 1.31 0.00 0.00 55.95 59.45 3hcr s SER 870 Cb -0.24 -2.47 0.00 0.00 0.21 0.00 0.00 66.02 63.53 3hcr s SER 870 CO 0.41 -0.44 0.20 0.18 0.41 0.00 0.00 173.24 174.00 3hcr n LEU 871 N -1.10 0.05 0.00 2.44 4.77 -1.14 -4.59 117.00 117.42 3hcr n LEU 871 Ca 0.06 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 3hcr n LEU 871 Cb 0.54 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 3hcr n LEU 871 CO 0.43 0.01 0.00 0.59 -1.33 0.00 0.00 177.39 177.10 3hcr n ASN 872 N -0.29 0.00 -0.82 -1.43 3.02 -1.15 -3.22 115.26 111.36 3hcr n ASN 872 Ca 0.00 0.00 0.07 0.00 -0.03 0.00 0.00 54.58 54.62 3hcr n ASN 872 Cb 0.01 0.00 0.22 0.00 -0.61 0.00 0.00 39.78 39.40 3hcr n ASN 872 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hcr n GLY 873 N 0.00 3.35 3.68 7.41 0.00 -1.26 -4.87 105.19 113.50 3hcr n GLY 873 Ca 0.00 -0.71 -0.49 0.00 0.00 0.00 0.00 46.02 44.82 3hcr n GLY 873 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3hcr n ASN 874 N 0.08 3.37 0.30 1.61 4.05 -1.20 -4.80 115.26 118.68 3hcr n ASN 874 Ca 0.17 0.98 0.19 0.00 0.45 0.00 0.00 54.58 56.37 3hcr n ASN 874 Cb 0.67 -1.36 1.01 0.00 1.23 0.00 0.00 39.78 41.34 3hcr n ASN 874 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 3hcr h PRO 875 N 8.99 0.00 0.00 1.20 0.13 -1.94 0.24 132.00 140.61 3hcr h PRO 875 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3hcr h PRO 875 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 3hcr h PRO 875 CO 0.95 0.00 0.00 -0.11 -0.23 0.00 0.00 178.00 178.61 3hcr n LEU 876 N -3.33 0.00 0.03 1.56 7.94 -1.26 -2.71 117.00 119.23 3hcr n LEU 876 Ca -0.02 0.47 -0.21 0.00 -1.11 0.00 0.00 56.01 55.14 3hcr n LEU 876 Cb 0.19 -0.47 -0.14 0.00 0.53 0.00 0.00 43.42 43.52 3hcr n LEU 876 CO 0.22 -0.13 -0.23 0.15 -1.11 0.00 0.00 177.39 176.28 3hcr h PHE 877 N 0.00 0.49 -1.00 1.96 -0.00 -0.86 -2.99 116.94 114.54 3hcr h PHE 877 Ca 0.00 -0.35 0.07 0.00 -0.00 0.00 0.00 57.97 57.69 3hcr h PHE 877 Cb 0.34 -0.02 -0.07 0.00 -0.00 0.00 0.00 35.95 36.20 3hcr h PHE 877 CO 0.00 1.45 0.64 0.77 -0.00 0.00 0.00 178.31 181.18 3hcr h SER 878 N -0.34 1.02 0.21 0.41 0.02 -1.55 0.56 113.55 113.88 3hcr h SER 878 Ca -0.24 0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 60.69 3hcr h SER 878 Cb 1.71 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 64.05 3hcr h SER 878 CO 0.10 0.64 -0.19 0.50 -1.14 0.00 0.00 176.83 176.73 3hcr h LYS 879 N 1.15 0.00 -0.18 3.45 3.64 -1.59 0.50 116.57 123.55 3hcr h LYS 879 Ca 0.44 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.69 3hcr h LYS 879 Cb 0.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 3hcr h LYS 879 CO -0.19 0.19 -0.40 0.00 -2.27 0.00 0.00 179.45 176.78 3hcr h ALA 880 N 1.81 0.29 0.09 5.00 0.00 0.10 -2.09 119.26 124.46 3hcr h ALA 880 Ca -0.00 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 3hcr h ALA 880 Cb 0.35 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3hcr h ALA 880 CO 0.02 0.39 -0.04 -0.07 0.00 0.00 0.00 179.25 179.55 3hcr h LEU 881 N 0.25 -0.10 -0.95 0.00 3.38 0.13 -2.56 115.31 115.46 3hcr h LEU 881 Ca -0.00 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 3hcr h LEU 881 Cb 1.01 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.75 3hcr h LEU 881 CO 0.09 0.08 0.46 0.00 0.09 0.00 0.00 178.44 179.16 3hcr h ALA 882 N 0.62 1.19 -0.57 1.53 0.00 -1.00 -2.11 119.26 118.93 3hcr h ALA 882 Ca -0.01 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 3hcr h ALA 882 Cb 0.23 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3hcr h ALA 882 CO 0.02 0.64 0.35 0.22 0.00 0.00 0.00 179.25 180.49 3hcr h ASP 883 N 1.20 0.67 -0.17 0.00 3.58 -1.29 -0.12 116.42 120.29 3hcr h ASP 883 Ca 0.30 -0.03 -0.14 0.00 0.42 0.00 0.00 57.03 57.58 3hcr h ASP 883 Cb 0.04 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 40.93 3hcr h ASP 883 CO -0.05 0.50 -0.44 -0.07 -2.88 0.00 0.00 179.24 176.30 3hcr h LEU 884 N 0.78 0.68 -0.63 2.28 3.38 -0.97 -1.49 115.31 119.33 3hcr h LEU 884 Ca 0.21 -0.58 -0.09 0.00 0.09 0.00 0.00 57.88 57.51 3hcr h LEU 884 Cb -0.05 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 3hcr h LEU 884 CO -0.04 1.14 0.04 0.58 0.09 0.00 0.00 178.44 180.25 3hcr h VAL 885 N 0.25 1.27 0.27 1.22 2.07 -1.17 -1.47 116.25 118.69 3hcr h VAL 885 Ca -0.01 -1.11 -0.01 0.00 0.82 0.00 0.00 66.70 66.39 3hcr h VAL 885 Cb 1.06 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 3hcr h VAL 885 CO 0.10 0.41 -0.13 -0.74 0.02 0.00 0.00 177.57 177.22 3hcr h HIS 886 N 1.00 -0.34 -0.73 1.57 -0.00 -0.98 -1.10 115.15 114.57 3hcr h HIS 886 Ca 0.18 -0.01 0.05 0.00 -0.00 0.00 0.00 60.37 60.59 3hcr h HIS 886 Cb 0.52 0.11 -0.05 0.00 -0.00 0.00 0.00 27.41 27.99 3hcr h HIS 886 CO 0.04 -0.20 0.44 0.77 -0.00 0.00 0.00 177.93 178.98 3hcr h SER 887 N -0.38 0.70 -0.12 3.26 0.02 -1.21 -1.79 113.55 114.03 3hcr h SER 887 Ca -0.04 0.01 0.03 0.00 -0.84 0.00 0.00 61.79 60.96 3hcr h SER 887 Cb 0.29 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.67 3hcr h SER 887 CO 0.06 0.47 -0.07 -0.74 -1.14 0.00 0.00 176.83 175.41 3hcr h HIS 888 N 0.83 -0.16 -0.74 3.45 6.17 -1.03 -0.87 115.15 122.81 3hcr h HIS 888 Ca 0.31 0.01 -0.01 0.00 0.71 0.00 0.00 60.37 61.39 3hcr h HIS 888 Cb 0.10 0.09 -0.04 0.00 2.52 0.00 0.00 27.41 30.09 3hcr h HIS 888 CO -0.05 -0.11 0.42 0.82 0.71 0.00 0.00 177.93 179.72 3hcr h ILE 889 N -0.06 1.21 0.00 6.26 2.04 -0.84 -2.75 117.51 123.37 3hcr h ILE 889 Ca 0.07 -0.51 -0.10 0.00 1.00 0.00 0.00 64.86 65.32 3hcr h ILE 889 Cb 0.17 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.43 3hcr h ILE 889 CO -0.16 0.23 -0.47 1.56 0.00 0.00 0.00 178.15 179.31 3hcr h GLN 890 N 1.03 0.00 0.00 2.37 4.20 -0.85 -3.22 115.11 118.64 3hcr h GLN 890 Ca 0.26 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.97 3hcr h GLN 890 Cb -0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 3hcr h GLN 890 CO -0.05 0.47 -0.39 0.66 -0.67 0.00 0.00 178.83 178.85 3hcr h SER 891 N 0.00 0.00 -0.30 1.46 4.64 -0.91 -3.48 113.55 114.96 3hcr h SER 891 Ca -0.00 -0.01 -0.13 0.00 -0.47 0.00 0.00 61.79 61.18 3hcr h SER 891 Cb 1.10 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.14 3hcr h SER 891 CO 0.06 0.00 -0.12 0.59 -0.87 0.00 0.00 176.83 176.50 3hcr n ASN 892 N -2.88 -5.14 -4.81 4.97 4.13 -1.06 -4.98 115.26 105.49 3hcr n ASN 892 Ca 0.03 0.16 -0.33 0.00 1.68 0.00 0.00 54.58 56.11 3hcr n ASN 892 Cb 0.53 -3.20 -0.06 0.00 -1.54 0.00 0.00 39.78 35.51 3hcr n ASN 892 CO 0.00 0.00 0.00 -1.83 0.28 0.00 0.00 177.26 175.71 3hcr s GLU 893 N -2.26 4.13 0.10 3.52 -1.05 -1.26 -4.97 118.70 116.92 3hcr s GLU 893 Ca 0.00 1.20 0.23 0.00 -0.15 0.00 0.00 54.97 56.24 3hcr s GLU 893 Cb 0.00 -2.19 -0.06 0.00 -0.44 0.00 0.00 34.13 31.44 3hcr s GLU 893 CO 0.00 -0.12 0.91 1.28 0.95 0.00 0.00 175.26 178.27 3hcr n LEU 894 N -0.66 0.56 -3.61 1.83 4.77 -1.26 -4.73 117.00 113.90 3hcr n LEU 894 Ca 0.07 0.14 -0.02 0.00 -0.03 0.00 0.00 56.01 56.17 3hcr n LEU 894 Cb 0.53 -0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 41.55 3hcr n LEU 894 CO 0.38 -0.07 1.07 0.00 -1.33 0.00 0.00 177.39 177.45 3hcr s SER 896 N -2.37 3.93 0.43 0.00 1.04 -1.26 -4.91 113.70 110.56 3hcr s SER 896 Ca 0.11 1.89 0.20 0.00 0.48 0.00 0.00 55.95 58.64 3hcr s SER 896 Cb 0.01 -2.50 0.98 0.00 0.10 0.00 0.00 66.02 64.60 3hcr s SER 896 CO -0.04 -2.41 1.89 0.50 0.98 0.00 0.00 173.24 174.15 3hcr h LYS 897 N -1.39 0.00 0.00 4.02 3.64 -2.01 -2.68 116.57 118.14 3hcr h LYS 897 Ca -0.44 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 58.91 3hcr h LYS 897 Cb 1.25 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.06 3hcr h LYS 897 CO 0.49 0.27 -0.12 1.96 -2.27 0.00 0.00 179.45 179.78 3hcr h GLN 898 N 0.00 0.00 0.00 1.90 1.08 -1.94 -2.03 115.11 114.11 3hcr h GLN 898 Ca -0.00 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.15 3hcr h GLN 898 Cb 0.62 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.04 3hcr h GLN 898 CO 0.04 0.12 -0.21 1.25 -0.95 0.00 0.00 178.83 179.08 3hcr h LEU 899 N 0.00 0.00 0.00 1.46 5.85 -1.84 -2.75 115.31 118.03 3hcr h LEU 899 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3hcr h LEU 899 Cb 0.26 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.29 3hcr h LEU 899 CO 0.02 0.21 0.00 0.35 -0.34 0.00 0.00 178.44 178.67 3hcr n THR 900 N -3.34 0.23 -4.11 1.05 -2.24 -0.76 -4.58 114.28 100.52 3hcr n THR 900 Ca 0.00 0.06 -0.31 0.00 -2.27 0.00 0.00 64.05 61.53 3hcr n THR 900 Cb 0.44 -0.74 -0.16 0.00 -2.10 0.00 0.00 70.33 67.77 3hcr n THR 900 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3hcr s LEU 901 N -2.31 1.86 0.50 3.22 2.96 -1.04 -5.12 118.68 118.75 3hcr s LEU 901 Ca 0.24 -0.55 -0.05 0.00 -0.22 0.00 0.00 54.13 53.55 3hcr s LEU 901 Cb 0.13 -1.29 -0.03 0.00 0.50 0.00 0.00 46.19 45.50 3hcr s LEU 901 CO 0.27 -0.03 0.80 -0.44 -1.32 0.00 0.00 176.35 175.63 3hcr s SER 902 N 1.36 6.19 0.43 3.68 0.01 -1.26 -5.00 113.70 119.10 3hcr s SER 902 Ca 0.04 0.91 -0.24 0.00 1.31 0.00 0.00 55.95 57.97 3hcr s SER 902 Cb -0.13 -2.19 -0.10 0.00 0.21 0.00 0.00 66.02 63.81 3hcr s SER 902 CO -0.11 -0.64 0.99 0.00 0.41 0.00 0.00 173.24 173.89 3hcr h PRO 904 N 1.45 0.45 -0.65 0.00 0.11 -1.82 -2.53 132.00 129.02 3hcr h PRO 904 Ca -0.44 -0.03 -0.45 0.00 0.11 0.00 0.00 66.00 65.19 3hcr h PRO 904 Cb 1.34 -0.10 -0.31 0.00 0.11 0.00 0.00 31.00 32.04 3hcr h PRO 904 CO 0.56 0.30 -0.40 1.28 -0.21 0.00 0.00 178.00 179.53 3hcr n LEU 905 N -4.50 5.01 -4.75 2.35 4.77 -0.76 -5.04 117.00 114.09 3hcr n LEU 905 Ca 0.15 -4.43 -0.41 0.00 -0.03 0.00 0.00 56.01 51.29 3hcr n LEU 905 Cb 0.54 -0.51 -0.02 0.00 -2.33 0.00 0.00 43.42 41.10 3hcr n LEU 905 CO 0.32 1.80 1.11 0.00 -1.33 0.00 0.00 177.39 179.29 3hcr n VAL 907 N 2.19 1.10 -3.89 0.00 0.24 -1.26 -4.97 118.33 111.73 3hcr n VAL 907 Ca 0.06 -2.07 -0.34 0.00 -2.04 0.00 0.00 64.34 59.95 3hcr n VAL 907 Cb 0.40 0.36 -0.13 0.00 -1.47 0.00 0.00 33.84 33.00 3hcr n VAL 907 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 3hcr s ASN 908 N -2.58 4.98 0.58 -1.34 3.84 -1.26 -4.98 114.94 114.17 3hcr s ASN 908 Ca 0.35 -1.78 0.29 0.00 0.21 0.00 0.00 52.86 51.92 3hcr s ASN 908 Cb 0.37 -1.73 1.49 0.00 -0.55 0.00 0.00 41.25 40.83 3hcr s ASN 908 CO -0.11 -0.39 1.94 -0.65 -2.79 0.00 0.00 177.10 175.09 3hcr h PRO 909 N 7.91 0.00 0.00 0.43 0.11 -2.01 -1.86 132.00 136.57 3hcr h PRO 909 Ca -0.14 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.85 3hcr h PRO 909 Cb 1.04 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 3hcr h PRO 909 CO 0.59 0.00 -0.56 0.28 -0.21 0.00 0.00 178.00 178.10 3hcr h VAL 910 N 0.00 1.30 -0.49 3.15 2.07 -2.01 -3.31 116.25 116.95 3hcr h VAL 910 Ca 0.22 -1.97 0.10 0.00 0.82 0.00 0.00 66.70 65.86 3hcr h VAL 910 Cb 1.10 2.09 -0.09 0.00 -1.52 0.00 0.00 31.29 32.88 3hcr h VAL 910 CO -0.00 0.55 -0.05 0.00 0.02 0.00 0.00 177.57 178.09 3hcr h ARG 912 N 0.07 0.69 -0.95 0.00 3.08 -1.76 -1.74 114.38 113.77 3hcr h ARG 912 Ca 0.25 -0.09 -0.00 0.00 0.07 0.00 0.00 59.98 60.21 3hcr h ARG 912 Cb 0.38 -0.13 -0.05 0.00 0.08 0.00 0.00 29.97 30.25 3hcr h ARG 912 CO -0.45 0.55 0.59 0.93 -1.07 0.00 0.00 179.97 180.52 3hcr h GLU 913 N 0.65 1.28 -0.42 0.04 4.39 -1.46 -0.64 114.58 118.43 3hcr h GLU 913 Ca 0.17 -0.11 -0.08 0.00 0.34 0.00 0.00 59.36 59.69 3hcr h GLU 913 Cb 0.07 -0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 28.44 3hcr h GLU 913 CO -0.03 0.89 -0.04 1.15 -1.16 0.00 0.00 179.01 179.82 3hcr h THR 914 N 1.31 1.27 0.33 1.13 2.02 -0.82 -1.47 112.91 116.67 3hcr h THR 914 Ca 0.34 -1.10 0.00 0.00 0.77 0.00 0.00 66.41 66.43 3hcr h THR 914 Cb -0.08 1.14 -0.03 0.00 -1.74 0.00 0.00 68.15 67.44 3hcr h THR 914 CO -0.07 0.37 -0.42 0.50 0.37 0.00 0.00 175.52 176.28 3hcr h LYS 915 N 0.59 -0.76 -0.86 6.66 3.64 -0.76 -2.21 116.57 122.87 3hcr h LYS 915 Ca 0.11 0.05 0.11 0.00 -1.27 0.00 0.00 60.65 59.66 3hcr h LYS 915 Cb 0.54 0.17 -0.06 0.00 -0.41 0.00 0.00 32.23 32.47 3hcr h LYS 915 CO 0.03 -0.51 0.56 0.77 -2.27 0.00 0.00 179.45 178.03 3hcr h SER 916 N -0.79 0.70 -0.20 4.20 0.02 -1.08 -1.76 113.55 114.64 3hcr h SER 916 Ca -0.02 0.03 0.05 0.00 -0.84 0.00 0.00 61.79 61.01 3hcr h SER 916 Cb 0.73 -0.11 -0.05 0.00 0.14 0.00 0.00 62.40 63.10 3hcr h SER 916 CO -0.12 0.39 -0.15 0.15 -1.14 0.00 0.00 176.83 175.96 3hcr h PHE 917 N 0.76 -0.38 -0.09 3.45 3.57 -0.65 0.12 116.94 123.72 3hcr h PHE 917 Ca 0.41 0.03 -0.22 0.00 3.53 0.00 0.00 57.97 61.72 3hcr h PHE 917 Cb 0.54 0.20 0.01 0.00 2.79 0.00 0.00 35.95 39.49 3hcr h PHE 917 CO -0.00 -0.22 -0.84 0.74 -2.23 0.00 0.00 178.31 175.76 3hcr h PHE 918 N -0.15 0.89 0.00 0.41 -1.00 -1.05 -3.12 116.94 112.91 3hcr h PHE 918 Ca 0.12 -0.42 -0.03 0.00 2.81 0.00 0.00 57.97 60.44 3hcr h PHE 918 Cb 0.33 -0.13 -0.00 0.00 3.61 0.00 0.00 35.95 39.76 3hcr h PHE 918 CO -0.30 1.24 -0.17 1.79 -1.61 0.00 0.00 178.31 179.26 3hcr h THR 919 N 0.41 0.38 -0.01 -1.55 1.35 -1.22 -3.09 112.91 109.19 3hcr h THR 919 Ca -0.07 -1.03 0.00 0.00 -0.55 0.00 0.00 66.41 64.77 3hcr h THR 919 Cb 1.46 1.77 0.00 0.00 -1.73 0.00 0.00 68.15 69.65 3hcr h THR 919 CO 0.16 0.16 -0.14 -1.20 -0.25 0.00 0.00 175.52 174.25 3hcr n SER 920 N -3.28 1.08 -4.73 5.36 7.64 0.40 -4.96 113.62 115.12 3hcr n SER 920 Ca 0.01 -1.06 -0.36 0.00 1.01 0.00 0.00 58.87 58.47 3hcr n SER 920 Cb 0.43 0.06 0.06 0.00 -1.01 0.00 0.00 64.21 63.75 3hcr n SER 920 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 3hcr s GLN 921 N -2.31 2.57 0.33 1.43 -1.52 -1.17 -4.97 119.66 114.01 3hcr s GLN 921 Ca 0.30 1.96 -0.28 0.00 -1.95 0.00 0.00 55.36 55.39 3hcr s GLN 921 Cb 0.20 -1.86 -0.09 0.00 -0.22 0.00 0.00 33.01 31.03 3hcr s GLN 921 CO 0.45 -1.55 1.15 -1.14 -0.25 0.00 0.00 175.29 173.94 3hcr s GLN 922 N -3.46 4.40 0.00 2.91 0.74 -1.26 -5.05 119.66 117.94 3hcr s GLN 922 Ca 0.80 1.85 0.00 0.00 0.05 0.00 0.00 55.36 58.06 3hcr s GLN 922 Cb -0.34 -2.98 0.00 0.00 1.10 0.00 0.00 33.01 30.79 3hcr s GLN 922 CO 0.39 -0.02 0.00 1.28 -0.55 0.00 0.00 175.29 176.39