#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bpr h LYS 576 N 0.00 -0.60 -5.36 1.20 6.56 -2.06 -3.29 116.57 113.02 3bpr h LYS 576 Ca 0.00 0.04 -0.56 0.00 -1.06 0.00 0.00 60.65 59.07 3bpr h LYS 576 Cb 0.00 0.14 -0.05 0.00 -0.57 0.00 0.00 32.23 31.75 3bpr h LYS 576 CO 0.00 -0.40 1.93 1.47 -2.06 0.00 0.00 179.45 180.40 3bpr n LEU 577 N -3.89 4.43 0.00 2.94 -0.00 -1.26 -4.20 117.00 115.02 3bpr n LEU 577 Ca -0.08 -3.58 0.00 0.00 -0.00 0.00 0.00 56.01 52.35 3bpr n LEU 577 Cb 0.26 -1.67 0.00 0.00 -0.00 0.00 0.00 43.42 42.01 3bpr n LEU 577 CO 0.18 -0.48 -0.19 -0.62 -0.00 0.00 0.00 177.39 176.27 3bpr n GLU 578 N 7.94 3.53 0.13 1.47 -0.58 -1.24 -4.54 120.64 127.34 3bpr n GLU 578 Ca 0.48 0.00 0.13 0.00 -0.42 0.00 0.00 57.16 57.35 3bpr n GLU 578 Cb 0.45 -0.64 0.39 0.00 -0.57 0.00 0.00 31.44 31.06 3bpr n GLU 578 CO 0.00 0.00 0.00 0.38 -0.48 0.00 0.00 177.13 177.03 3bpr h ASP 579 N 0.00 0.00 -0.68 1.62 3.04 -1.89 -3.03 116.42 115.49 3bpr h ASP 579 Ca 0.00 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 53.79 3bpr h ASP 579 Cb 0.00 0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 38.26 3bpr h ASP 579 CO 0.00 0.00 0.42 1.62 -2.04 0.00 0.00 179.24 179.24 3bpr h VAL 580 N 0.00 1.19 -3.33 4.15 3.04 -1.91 -3.42 116.25 115.97 3bpr h VAL 580 Ca 0.00 -0.40 -0.53 0.00 -1.01 0.00 0.00 66.70 64.76 3bpr h VAL 580 Cb 0.74 0.21 0.07 0.00 -2.01 0.00 0.00 31.29 30.30 3bpr h VAL 580 CO 0.00 0.19 0.83 -0.69 -1.01 0.00 0.00 177.57 176.89 3bpr s VAL 581 N -5.72 2.37 -0.08 1.51 1.01 -1.15 -2.00 120.40 116.34 3bpr s VAL 581 Ca -0.10 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.19 3bpr s VAL 581 Cb 0.17 -3.20 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 3bpr s VAL 581 CO 0.78 0.05 -0.07 -0.63 0.00 0.00 0.00 175.10 175.23 3bpr s ILE 582 N 0.04 3.70 -0.07 2.22 1.01 0.75 -4.84 121.20 124.03 3bpr s ILE 582 Ca 0.62 -0.47 -0.29 0.00 0.00 0.00 0.00 60.65 60.50 3bpr s ILE 582 Cb -0.45 -2.52 -0.07 0.00 0.01 0.00 0.00 42.46 39.43 3bpr s ILE 582 CO 0.45 0.59 2.05 -0.62 0.00 0.00 0.00 174.94 177.41 3bpr s ASP 583 N -0.67 6.08 0.50 3.58 -1.08 -1.26 -4.55 116.67 119.27 3bpr s ASP 583 Ca 0.10 2.35 0.35 0.00 -0.52 0.00 0.00 52.55 54.84 3bpr s ASP 583 Cb -0.11 -2.52 1.50 0.00 -1.46 0.00 0.00 42.92 40.32 3bpr s ASP 583 CO 0.02 -1.39 1.69 -0.09 0.52 0.00 0.00 175.17 175.92 3bpr h ARG 584 N 12.24 0.08 0.00 4.34 9.65 -1.93 0.39 114.38 139.15 3bpr h ARG 584 Ca -0.46 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.42 3bpr h ARG 584 Cb 1.24 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.80 3bpr h ARG 584 CO 0.95 0.05 -0.22 0.27 2.80 0.00 0.00 179.97 183.82 3bpr n ASN 585 N -4.33 0.36 0.00 -3.80 6.94 -1.26 -2.32 115.26 110.85 3bpr n ASN 585 Ca 0.33 0.25 0.07 0.00 -0.02 0.00 0.00 54.58 55.22 3bpr n ASN 585 Cb 1.43 -0.25 0.35 0.00 -2.36 0.00 0.00 39.78 38.95 3bpr n ASN 585 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 3bpr n LEU 586 N -1.71 0.00 -4.23 -4.53 4.77 0.14 -4.78 117.00 106.66 3bpr n LEU 586 Ca 0.06 0.34 -0.30 0.00 -0.03 0.00 0.00 56.01 56.08 3bpr n LEU 586 Cb 0.37 -0.34 -0.16 0.00 -2.33 0.00 0.00 43.42 40.96 3bpr n LEU 586 CO 0.31 -0.18 -0.54 -0.22 -1.33 0.00 0.00 177.39 175.43 3bpr s LEU 587 N -2.68 2.02 -0.06 2.23 2.96 -0.98 -0.17 118.68 122.00 3bpr s LEU 587 Ca 0.12 -0.46 0.02 0.00 -0.22 0.00 0.00 54.13 53.59 3bpr s LEU 587 Cb 0.10 -1.24 0.02 0.00 0.50 0.00 0.00 46.19 45.56 3bpr s LEU 587 CO 0.23 0.22 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.74 3bpr s ILE 588 N -0.14 1.03 0.07 6.68 -1.09 0.04 -4.99 121.20 122.80 3bpr s ILE 588 Ca -0.02 -0.41 -0.02 0.00 -2.23 0.00 0.00 60.65 57.96 3bpr s ILE 588 Cb -0.13 -0.96 -0.04 0.00 -1.58 0.00 0.00 42.46 39.75 3bpr s ILE 588 CO 0.03 0.33 0.25 -0.76 -1.23 0.00 0.00 174.94 173.56 3bpr s LEU 589 N 0.75 4.34 0.00 2.97 1.43 -1.26 -0.33 118.68 126.58 3bpr s LEU 589 Ca -0.13 0.37 0.00 0.00 -1.03 0.00 0.00 54.13 53.34 3bpr s LEU 589 Cb -0.15 -2.99 0.00 0.00 0.03 0.00 0.00 46.19 43.07 3bpr s LEU 589 CO 0.03 0.16 0.00 0.61 0.23 0.00 0.00 176.35 177.37 3bpr n GLY 590 N 0.36 4.99 3.75 -3.19 0.00 0.35 -4.92 105.19 106.53 3bpr n GLY 590 Ca -0.05 -1.69 -0.32 0.00 0.00 0.00 0.00 46.02 43.96 3bpr n GLY 590 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bpr s LYS 591 N 3.84 2.27 0.23 1.61 3.01 -1.26 -4.70 119.74 124.73 3bpr s LYS 591 Ca 0.00 1.34 -0.30 0.00 -1.01 0.00 0.00 55.97 56.00 3bpr s LYS 591 Cb 0.00 -1.89 -0.09 0.00 -1.01 0.00 0.00 37.83 34.85 3bpr s LYS 591 CO 0.00 -1.66 0.97 0.42 0.51 0.00 0.00 175.35 175.59 3bpr s ILE 592 N -2.61 4.01 -1.15 2.17 1.01 -1.26 -2.31 121.20 121.06 3bpr s ILE 592 Ca 0.65 1.98 0.15 0.00 0.00 0.00 0.00 60.65 63.43 3bpr s ILE 592 Cb -0.20 -4.26 -0.06 0.00 0.01 0.00 0.00 42.46 37.95 3bpr s ILE 592 CO 0.51 0.45 0.76 0.18 0.00 0.00 0.00 174.94 176.83 3bpr n LEU 593 N 1.61 1.25 0.00 2.97 4.77 0.30 -4.92 117.00 122.98 3bpr n LEU 593 Ca -0.01 -0.67 0.00 0.00 -0.03 0.00 0.00 56.01 55.30 3bpr n LEU 593 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 3bpr n LEU 593 CO 0.51 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.43 3bpr n GLY 594 N 1.21 2.56 2.68 -0.72 0.00 -1.16 -4.96 105.19 104.79 3bpr n GLY 594 Ca 0.05 -0.62 -0.26 0.00 0.00 0.00 0.00 46.02 45.19 3bpr n GLY 594 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3bpr s GLU 595 N -2.00 0.35 0.34 1.61 2.02 -1.26 -0.85 118.70 118.91 3bpr s GLU 595 Ca 0.00 -0.18 -0.03 0.00 0.02 0.00 0.00 54.97 54.78 3bpr s GLU 595 Cb 0.00 -1.79 0.07 0.00 0.10 0.00 0.00 34.13 32.51 3bpr s GLU 595 CO 0.00 -0.60 0.46 0.41 0.02 0.00 0.00 175.26 175.55 3bpr n GLY 596 N 5.17 -0.16 0.29 -1.39 0.00 -1.13 -5.01 105.19 102.97 3bpr n GLY 596 Ca -0.08 -1.85 -0.10 0.00 0.00 0.00 0.00 46.02 43.99 3bpr n GLY 596 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3bpr h GLU 597 N 0.00 1.03 0.00 1.61 4.39 -2.03 -3.37 114.58 116.20 3bpr h GLU 597 Ca -0.15 -0.34 0.00 0.00 0.34 0.00 0.00 59.36 59.21 3bpr h GLU 597 Cb 0.49 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 3bpr h GLU 597 CO 0.13 1.02 0.00 1.97 -1.16 0.00 0.00 179.01 180.98 3bpr n PHE 598 N -4.21 0.00 -0.27 4.33 1.16 -1.26 -5.02 117.46 112.19 3bpr n PHE 598 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.60 3bpr n PHE 598 Cb 0.35 -0.10 0.00 0.00 -1.61 0.00 0.00 39.48 38.12 3bpr n PHE 598 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3bpr n GLY 599 N -0.57 5.46 3.23 4.97 0.00 -1.25 -4.78 105.19 112.26 3bpr n GLY 599 Ca 0.00 -1.23 -0.13 0.00 0.00 0.00 0.00 46.02 44.66 3bpr n GLY 599 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3bpr s SER 600 N 1.00 -0.38 -0.14 1.61 1.04 -1.18 -2.83 113.70 112.82 3bpr s SER 600 Ca 0.00 0.72 -0.10 0.00 0.48 0.00 0.00 55.95 57.04 3bpr s SER 600 Cb 0.00 0.71 -0.05 0.00 0.10 0.00 0.00 66.02 66.78 3bpr s SER 600 CO 0.00 -0.13 0.20 0.54 0.98 0.00 0.00 173.24 174.83 3bpr s VAL 601 N 0.37 5.38 0.07 5.02 0.11 -0.03 -2.47 120.40 128.85 3bpr s VAL 601 Ca -0.01 0.35 0.07 0.00 -2.93 0.00 0.00 61.98 59.45 3bpr s VAL 601 Cb -0.03 -3.51 -0.03 0.00 -1.53 0.00 0.00 36.38 31.28 3bpr s VAL 601 CO -0.01 0.51 -0.18 -0.04 -3.33 0.00 0.00 175.10 172.05 3bpr s MET 602 N -0.28 1.07 0.49 1.54 -1.94 0.12 -0.54 119.30 119.76 3bpr s MET 602 Ca 0.14 -0.97 -0.20 0.00 -1.71 0.00 0.00 55.69 52.96 3bpr s MET 602 Cb -0.12 -1.18 -0.08 0.00 2.01 0.00 0.00 34.83 35.45 3bpr s MET 602 CO 0.03 0.28 1.02 -1.83 -0.01 0.00 0.00 175.02 174.51 3bpr s GLU 603 N -1.51 3.86 0.23 2.03 -1.05 -0.98 0.44 118.70 121.72 3bpr s GLU 603 Ca 0.04 1.26 -0.21 0.00 -0.15 0.00 0.00 54.97 55.91 3bpr s GLU 603 Cb -0.09 -2.11 0.07 0.00 -0.44 0.00 0.00 34.13 31.55 3bpr s GLU 603 CO 0.03 -0.37 0.95 0.20 0.95 0.00 0.00 175.26 177.01 3bpr s GLY 604 N -2.18 0.10 -0.06 -3.83 0.00 -0.65 0.13 107.32 100.82 3bpr s GLY 604 Ca 0.65 -0.34 0.06 0.00 0.00 0.00 0.00 44.72 45.09 3bpr s GLY 604 CO 0.21 1.14 -0.25 -1.31 0.00 0.00 0.00 173.10 172.89 3bpr s ASN 605 N -3.21 3.09 -0.17 1.64 0.01 0.56 -1.76 114.94 115.11 3bpr s ASN 605 Ca 0.18 -0.50 -0.02 0.00 -0.71 0.00 0.00 52.86 51.81 3bpr s ASN 605 Cb -0.03 -0.84 -0.01 0.00 0.41 0.00 0.00 41.25 40.77 3bpr s ASN 605 CO 0.06 0.25 -0.10 -0.22 -1.51 0.00 0.00 177.10 175.58 3bpr s LEU 606 N -0.17 2.79 0.19 0.60 2.96 -0.69 -0.78 118.68 123.59 3bpr s LEU 606 Ca -0.03 -0.35 -0.22 0.00 -0.22 0.00 0.00 54.13 53.31 3bpr s LEU 606 Cb -0.14 -1.66 -0.08 0.00 0.50 0.00 0.00 46.19 44.81 3bpr s LEU 606 CO 0.04 0.09 0.74 -0.54 -1.32 0.00 0.00 176.35 175.36 3bpr s LYS 607 N 0.80 4.38 0.31 1.98 1.02 0.76 -0.75 119.74 128.24 3bpr s LYS 607 Ca -0.04 0.98 0.01 0.00 0.02 0.00 0.00 55.97 56.94 3bpr s LYS 607 Cb -0.15 -3.05 0.01 0.00 -0.52 0.00 0.00 37.83 34.12 3bpr s LYS 607 CO 0.01 0.48 0.05 1.04 -0.92 0.00 0.00 175.35 176.00 3bpr n GLN 608 N 1.12 1.21 -0.10 1.68 6.02 -0.81 -4.92 117.38 121.57 3bpr n GLN 608 Ca -0.04 -2.21 -0.10 0.00 -0.01 0.00 0.00 57.00 54.63 3bpr n GLN 608 Cb 0.50 0.53 -0.03 0.00 1.02 0.00 0.00 30.24 32.26 3bpr n GLN 608 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 3bpr h GLU 609 N 0.00 0.51 -1.33 -1.09 4.81 -1.98 -2.89 114.58 112.61 3bpr h GLU 609 Ca -0.25 -0.13 0.46 0.00 -0.13 0.00 0.00 59.36 59.32 3bpr h GLU 609 Cb 0.77 -0.06 -0.14 0.00 0.63 0.00 0.00 28.75 29.95 3bpr h GLU 609 CO 0.41 0.59 0.85 -0.25 -0.73 0.00 0.00 179.01 179.88 3bpr n ASP 610 N -4.64 0.21 0.00 1.04 8.00 -1.26 -4.81 116.55 115.08 3bpr n ASP 610 Ca -0.02 1.35 0.00 0.00 0.71 0.00 0.00 54.79 56.83 3bpr n ASP 610 Cb 0.20 -0.66 0.00 0.00 -0.02 0.00 0.00 41.12 40.64 3bpr n ASP 610 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3bpr n GLY 611 N -1.50 2.94 3.76 0.44 0.00 -1.09 -5.06 105.19 104.68 3bpr n GLY 611 Ca 0.39 -0.20 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 3bpr n GLY 611 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3bpr s THR 612 N -2.25 3.07 0.10 2.61 -4.23 -1.26 -4.58 115.64 109.09 3bpr s THR 612 Ca 0.00 0.43 0.04 0.00 -1.18 0.00 0.00 61.69 60.97 3bpr s THR 612 Cb 0.00 -2.90 -0.04 0.00 1.34 0.00 0.00 72.50 70.91 3bpr s THR 612 CO 0.00 -0.38 0.08 -0.44 -0.54 0.00 0.00 174.62 173.34 3bpr s SER 613 N -2.84 5.45 -0.01 3.99 0.01 -1.26 -1.93 113.70 117.11 3bpr s SER 613 Ca 0.66 -0.06 0.08 0.00 1.31 0.00 0.00 55.95 57.93 3bpr s SER 613 Cb -0.20 -1.43 -0.02 0.00 0.21 0.00 0.00 66.02 64.58 3bpr s SER 613 CO 0.49 0.15 -0.24 -0.22 0.41 0.00 0.00 173.24 173.83 3bpr s LEU 614 N -2.52 2.06 0.10 2.44 2.96 0.07 -4.94 118.68 118.85 3bpr s LEU 614 Ca 0.29 -0.46 -0.30 0.00 -0.22 0.00 0.00 54.13 53.44 3bpr s LEU 614 Cb -0.12 -1.24 -0.06 0.00 0.50 0.00 0.00 46.19 45.28 3bpr s LEU 614 CO 0.22 0.29 1.10 -0.75 -1.32 0.00 0.00 176.35 175.89 3bpr s LYS 615 N -0.66 4.53 0.08 1.98 2.47 -1.26 -1.69 119.74 125.19 3bpr s LYS 615 Ca 0.09 1.66 0.00 0.00 -1.56 0.00 0.00 55.97 56.17 3bpr s LYS 615 Cb -0.09 -3.34 -0.04 0.00 -1.46 0.00 0.00 37.83 32.89 3bpr s LYS 615 CO -0.01 -0.06 -0.04 0.14 0.16 0.00 0.00 175.35 175.55 3bpr s VAL 616 N 0.50 0.44 -0.08 4.02 -7.23 -0.72 -2.04 120.40 115.28 3bpr s VAL 616 Ca 0.53 -1.88 0.02 0.00 -1.81 0.00 0.00 61.98 58.84 3bpr s VAL 616 Cb -0.27 -1.67 -0.02 0.00 0.56 0.00 0.00 36.38 34.98 3bpr s VAL 616 CO 0.31 -0.87 -0.15 0.00 -0.31 0.00 0.00 175.10 174.07 3bpr s ALA 617 N -3.79 2.58 -0.23 1.32 0.00 0.28 -1.64 121.76 120.28 3bpr s ALA 617 Ca 0.11 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.12 3bpr s ALA 617 Cb 0.07 -1.03 0.03 0.00 0.00 0.00 0.00 23.12 22.19 3bpr s ALA 617 CO -0.06 0.42 -0.12 0.08 0.00 0.00 0.00 175.76 176.08 3bpr s VAL 618 N -0.22 2.50 -0.21 0.00 1.01 0.17 -1.31 120.40 122.34 3bpr s VAL 618 Ca 0.00 -1.08 -0.11 0.00 0.00 0.00 0.00 61.98 60.79 3bpr s VAL 618 Cb -0.13 -2.23 -0.05 0.00 0.00 0.00 0.00 36.38 33.97 3bpr s VAL 618 CO 0.03 0.28 0.17 -0.54 0.00 0.00 0.00 175.10 175.04 3bpr s LYS 619 N 1.28 4.16 -0.03 2.72 1.02 -0.73 -0.70 119.74 127.47 3bpr s LYS 619 Ca 0.00 -0.17 0.04 0.00 0.02 0.00 0.00 55.97 55.86 3bpr s LYS 619 Cb -0.16 -3.46 -0.03 0.00 -0.52 0.00 0.00 37.83 33.66 3bpr s LYS 619 CO -0.07 0.21 -0.14 0.95 -0.92 0.00 0.00 175.35 175.37 3bpr s THR 620 N 0.62 3.10 0.00 2.17 -4.23 -1.03 -0.84 115.64 115.43 3bpr s THR 620 Ca 0.09 -0.82 0.00 0.00 -1.18 0.00 0.00 61.69 59.79 3bpr s THR 620 Cb -0.12 -2.25 0.00 0.00 1.34 0.00 0.00 72.50 71.47 3bpr s THR 620 CO 0.01 0.52 0.00 1.15 -0.54 0.00 0.00 174.62 175.76 3bpr n MET 621 N 2.06 0.00 -3.58 3.99 0.00 -1.15 -3.12 117.12 115.31 3bpr n MET 621 Ca -0.17 0.00 -0.29 0.00 0.00 0.00 0.00 57.70 57.24 3bpr n MET 621 Cb 0.52 0.00 -0.15 0.00 0.00 0.00 0.00 33.22 33.59 3bpr n MET 621 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 175.97 176.18 3bpr s LYS 622 N -1.58 0.29 0.00 3.17 2.20 -1.26 -4.41 119.74 118.15 3bpr s LYS 622 Ca 0.00 -0.60 0.00 0.00 -0.36 0.00 0.00 55.97 55.01 3bpr s LYS 622 Cb 0.00 -1.37 0.00 0.00 -1.51 0.00 0.00 37.83 34.95 3bpr s LYS 622 CO 0.00 -0.99 0.00 -0.89 -0.36 0.00 0.00 175.35 173.11 3bpr n ILE 631 N 5.17 0.00 -0.37 5.43 5.41 -1.26 -5.14 119.36 128.61 3bpr n ILE 631 Ca -0.05 0.00 0.01 0.00 1.00 0.00 0.00 62.75 63.70 3bpr n ILE 631 Cb 0.43 0.00 0.07 0.00 -0.71 0.00 0.00 39.64 39.42 3bpr n ILE 631 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3bpr n GLU 632 N -0.81 -0.19 -0.34 0.38 4.71 -1.26 -0.47 120.64 122.66 3bpr n GLU 632 Ca 0.00 1.51 0.06 0.00 -0.01 0.00 0.00 57.16 58.71 3bpr n GLU 632 Cb 0.00 -2.24 0.14 0.00 -1.01 0.00 0.00 31.44 28.33 3bpr n GLU 632 CO 0.00 0.00 0.00 1.05 0.09 0.00 0.00 177.13 178.27 3bpr h GLU 633 N 0.00 0.00 -0.65 3.49 4.11 -2.05 0.18 114.58 119.67 3bpr h GLU 633 Ca 0.37 -0.00 0.06 0.00 0.07 0.00 0.00 59.36 59.87 3bpr h GLU 633 Cb 0.62 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.81 3bpr h GLU 633 CO -0.98 0.00 0.34 0.35 0.07 0.00 0.00 179.01 178.79 3bpr h PHE 634 N 0.00 0.62 -0.83 2.06 3.57 -1.24 -2.78 116.94 118.35 3bpr h PHE 634 Ca 0.47 0.03 0.04 0.00 3.53 0.00 0.00 57.97 62.03 3bpr h PHE 634 Cb 0.73 -0.18 -0.05 0.00 2.79 0.00 0.00 35.95 39.24 3bpr h PHE 634 CO -0.73 0.28 0.54 -0.07 -2.23 0.00 0.00 178.31 176.11 3bpr h LEU 635 N 0.62 0.87 -0.94 0.59 3.38 -0.53 -2.27 115.31 117.04 3bpr h LEU 635 Ca 0.30 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.23 3bpr h LEU 635 Cb 0.22 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 3bpr h LEU 635 CO -0.20 0.59 0.38 0.28 0.09 0.00 0.00 178.44 179.58 3bpr h SER 636 N 1.00 1.04 0.02 -0.43 0.02 -1.21 -0.35 113.55 113.64 3bpr h SER 636 Ca 0.33 -0.12 0.03 0.00 -0.84 0.00 0.00 61.79 61.19 3bpr h SER 636 Cb 0.07 -0.27 -0.05 0.00 0.14 0.00 0.00 62.40 62.29 3bpr h SER 636 CO -0.10 0.87 -0.33 -0.33 -1.14 0.00 0.00 176.83 175.80 3bpr h GLU 637 N 1.13 -0.48 -0.76 3.45 5.08 -1.37 0.14 114.58 121.76 3bpr h GLU 637 Ca 0.27 0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.75 3bpr h GLU 637 Cb 0.12 0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.42 3bpr h GLU 637 CO -0.03 -0.32 0.50 0.00 -1.00 0.00 0.00 179.01 178.15 3bpr h ALA 638 N 0.19 1.73 -0.25 3.43 0.00 -1.29 0.13 119.26 123.21 3bpr h ALA 638 Ca 0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3bpr h ALA 638 Cb 0.57 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3bpr h ALA 638 CO -0.26 0.13 0.12 0.00 0.00 0.00 0.00 179.25 179.24 3bpr h ALA 639 N 1.60 0.32 0.22 0.00 0.00 -0.14 0.87 119.26 122.12 3bpr h ALA 639 Ca 0.34 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 3bpr h ALA 639 Cb 0.35 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 3bpr h ALA 639 CO -0.12 -0.13 -0.13 0.00 0.00 0.00 0.00 179.25 178.87 3bpr n MET 641 N -2.99 -0.08 0.12 0.00 2.81 0.35 0.19 117.12 117.52 3bpr n MET 641 Ca -0.04 1.45 0.19 0.00 -1.81 0.00 0.00 57.70 57.50 3bpr n MET 641 Cb 0.13 -2.33 0.77 0.00 -0.71 0.00 0.00 33.22 31.08 3bpr n MET 641 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 3bpr h LYS 642 N 0.00 0.00 0.00 0.03 3.64 -0.66 0.37 116.57 119.95 3bpr h LYS 642 Ca 0.61 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.99 3bpr h LYS 642 Cb 1.29 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 3bpr h LYS 642 CO -0.91 0.00 0.00 -0.44 -2.27 0.00 0.00 179.45 175.83 3bpr h ASP 643 N 0.00 0.00 -2.70 4.20 3.32 0.21 -3.46 116.42 117.99 3bpr h ASP 643 Ca 0.16 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.69 3bpr h ASP 643 Cb 0.90 0.00 0.06 0.00 0.22 0.00 0.00 39.33 40.51 3bpr h ASP 643 CO -0.00 0.00 1.00 -0.36 -1.72 0.00 0.00 179.24 178.16 3bpr s PHE 644 N -3.27 2.92 -0.29 4.55 0.08 0.13 -4.98 117.98 117.12 3bpr s PHE 644 Ca 0.07 0.38 -0.02 0.00 0.12 0.00 0.00 56.93 57.48 3bpr s PHE 644 Cb 0.08 -4.12 0.12 0.00 -0.57 0.00 0.00 43.02 38.53 3bpr s PHE 644 CO 0.61 -4.22 0.22 0.45 -0.10 0.00 0.00 175.22 172.18 3bpr s SER 645 N 1.15 2.47 -0.28 1.36 0.15 -1.26 -4.81 113.70 112.49 3bpr s SER 645 Ca 0.74 -0.97 -0.23 0.00 0.70 0.00 0.00 55.95 56.19 3bpr s SER 645 Cb -0.49 0.13 0.10 0.00 -1.71 0.00 0.00 66.02 64.05 3bpr s SER 645 CO 0.32 -0.41 0.88 -2.28 1.20 0.00 0.00 173.24 172.96 3bpr s HIS 646 N 2.25 -0.66 0.06 3.44 5.04 -1.26 -5.04 115.29 119.11 3bpr s HIS 646 Ca 0.09 1.53 0.32 0.00 -1.54 0.00 0.00 55.06 55.46 3bpr s HIS 646 Cb -0.15 0.36 1.52 0.00 0.04 0.00 0.00 32.58 34.35 3bpr s HIS 646 CO -0.34 -0.32 1.97 -1.00 -2.34 0.00 0.00 174.74 172.71 3bpr h PRO 647 N 4.95 0.00 -0.51 2.88 0.13 -1.99 -1.78 132.00 135.68 3bpr h PRO 647 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 3bpr h PRO 647 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3bpr h PRO 647 CO 0.10 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 177.96 3bpr n ASN 648 N -2.76 4.26 -3.96 1.44 4.13 -1.26 -4.71 115.26 112.40 3bpr n ASN 648 Ca -0.00 -2.49 -0.22 0.00 1.68 0.00 0.00 54.58 53.55 3bpr n ASN 648 Cb 0.19 -0.51 -0.16 0.00 -1.54 0.00 0.00 39.78 37.76 3bpr n ASN 648 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3bpr s VAL 649 N -1.90 0.82 0.53 2.41 1.01 -0.67 -1.53 120.40 121.07 3bpr s VAL 649 Ca 0.44 -0.30 -0.22 0.00 0.00 0.00 0.00 61.98 61.90 3bpr s VAL 649 Cb 0.29 -0.78 -0.05 0.00 0.00 0.00 0.00 36.38 35.84 3bpr s VAL 649 CO 0.20 0.28 1.32 -0.51 0.00 0.00 0.00 175.10 176.39 3bpr s ILE 650 N 0.74 2.30 -0.30 2.22 2.07 -0.64 -4.41 121.20 123.18 3bpr s ILE 650 Ca -0.13 0.22 -0.09 0.00 -1.41 0.00 0.00 60.65 59.24 3bpr s ILE 650 Cb -0.15 -3.11 -0.01 0.00 0.13 0.00 0.00 42.46 39.32 3bpr s ILE 650 CO 0.02 -0.00 0.14 -0.60 -1.91 0.00 0.00 174.94 172.58 3bpr s ARG 651 N -2.86 3.42 0.10 3.50 3.52 -1.26 -4.94 118.95 120.43 3bpr s ARG 651 Ca 0.70 -0.65 -0.31 0.00 -0.13 0.00 0.00 55.73 55.34 3bpr s ARG 651 Cb -0.38 -3.52 -0.07 0.00 -1.56 0.00 0.00 34.95 29.42 3bpr s ARG 651 CO 0.45 -0.36 1.31 -1.17 -0.81 0.00 0.00 175.30 174.72 3bpr s LEU 652 N 1.62 4.37 0.15 -0.88 0.20 -1.26 -4.37 118.68 118.51 3bpr s LEU 652 Ca 0.05 2.21 0.21 0.00 0.69 0.00 0.00 54.13 57.29 3bpr s LEU 652 Cb -0.17 -3.58 -0.06 0.00 -0.43 0.00 0.00 46.19 41.95 3bpr s LEU 652 CO 0.06 -0.57 0.95 0.18 -0.29 0.00 0.00 176.35 176.68 3bpr n LEU 653 N 3.85 0.78 0.00 -0.68 4.77 0.50 -4.52 117.00 121.70 3bpr n LEU 653 Ca 0.10 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 3bpr n LEU 653 Cb 0.44 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 3bpr n LEU 653 CO 0.57 -0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 3bpr n GLY 654 N 1.24 -0.88 3.19 -0.72 0.00 -1.23 -4.99 105.19 101.80 3bpr n GLY 654 Ca -0.03 -1.63 -0.20 0.00 0.00 0.00 0.00 46.02 44.17 3bpr n GLY 654 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3bpr s VAL 655 N -1.65 1.23 0.21 1.61 -7.23 -0.85 -0.45 120.40 113.27 3bpr s VAL 655 Ca 0.00 -1.28 0.10 0.00 -1.81 0.00 0.00 61.98 58.99 3bpr s VAL 655 Cb 0.00 -1.15 -0.04 0.00 0.56 0.00 0.00 36.38 35.74 3bpr s VAL 655 CO 0.00 -0.14 -0.13 0.00 -0.31 0.00 0.00 175.10 174.52 3bpr s ILE 657 N -1.92 0.31 -0.36 0.00 1.01 -1.26 0.06 121.20 119.03 3bpr s ILE 657 Ca 0.26 0.00 -0.17 0.00 0.00 0.00 0.00 60.65 60.74 3bpr s ILE 657 Cb -0.08 -0.59 -0.00 0.00 0.01 0.00 0.00 42.46 41.80 3bpr s ILE 657 CO 0.15 0.11 0.44 -1.61 0.00 0.00 0.00 174.94 174.03 3bpr s GLU 658 N 1.99 3.48 1.06 2.79 2.02 -1.26 -4.92 118.70 123.85 3bpr s GLU 658 Ca 0.04 -0.40 -0.12 0.00 0.02 0.00 0.00 54.97 54.50 3bpr s GLU 658 Cb -0.13 -3.84 0.20 0.00 0.10 0.00 0.00 34.13 30.45 3bpr s GLU 658 CO -0.06 -0.65 0.92 0.00 0.02 0.00 0.00 175.26 175.49 3bpr n MET 659 N 5.58 -1.51 -3.79 1.61 0.00 -1.26 -4.49 117.12 113.27 3bpr n MET 659 Ca -0.07 -0.40 -0.35 0.00 0.00 0.00 0.00 57.70 56.88 3bpr n MET 659 Cb 0.49 -2.17 -0.09 0.00 0.00 0.00 0.00 33.22 31.44 3bpr n MET 659 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 3bpr s SER 660 N -2.40 5.96 0.00 3.17 0.15 -1.26 -5.09 113.70 114.22 3bpr s SER 660 Ca 0.66 0.12 0.12 0.00 0.70 0.00 0.00 55.95 57.55 3bpr s SER 660 Cb -0.23 -2.05 0.02 0.00 -1.71 0.00 0.00 66.02 62.05 3bpr s SER 660 CO 0.63 0.13 0.75 -1.54 1.20 0.00 0.00 173.24 174.41 3bpr n SER 661 N 3.86 1.52 -3.61 5.45 3.41 -1.26 -5.36 113.62 117.63 3bpr n SER 661 Ca -0.16 -1.26 -0.03 0.00 -0.26 0.00 0.00 58.87 57.17 3bpr n SER 661 Cb 0.52 0.35 -0.05 0.00 -0.26 0.00 0.00 64.21 64.77 3bpr n SER 661 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 3bpr s PRO 667 N -1.39 0.55 -0.05 4.33 0.04 -1.26 -5.35 135.00 131.87 3bpr s PRO 667 Ca 0.11 1.18 0.01 0.00 0.04 0.00 0.00 61.00 62.34 3bpr s PRO 667 Cb 0.10 0.49 0.02 0.00 0.04 0.00 0.00 34.50 35.15 3bpr s PRO 667 CO 0.26 -0.16 -0.04 -1.64 0.04 0.00 0.00 177.00 175.46 3bpr s MET 668 N 2.26 0.84 0.18 4.56 -1.94 0.11 -2.95 119.30 122.36 3bpr s MET 668 Ca -0.07 -0.10 -0.17 0.00 -1.71 0.00 0.00 55.69 53.63 3bpr s MET 668 Cb -0.08 -0.86 -0.08 0.00 2.01 0.00 0.00 34.83 35.82 3bpr s MET 668 CO -0.19 -0.09 0.64 0.14 -0.01 0.00 0.00 175.02 175.52 3bpr s VAL 669 N 0.96 4.70 -0.19 -6.03 -7.23 -0.02 -0.30 120.40 112.29 3bpr s VAL 669 Ca -0.10 1.08 -0.02 0.00 -1.81 0.00 0.00 61.98 61.12 3bpr s VAL 669 Cb -0.14 -3.80 -0.01 0.00 0.56 0.00 0.00 36.38 32.98 3bpr s VAL 669 CO -0.00 0.23 -0.08 -0.63 -0.31 0.00 0.00 175.10 174.32 3bpr s ILE 670 N -1.48 3.19 0.08 -0.62 -1.09 0.40 -1.78 121.20 119.90 3bpr s ILE 670 Ca 0.40 -0.57 0.04 0.00 -2.23 0.00 0.00 60.65 58.29 3bpr s ILE 670 Cb -0.16 -2.42 -0.03 0.00 -1.58 0.00 0.00 42.46 38.27 3bpr s ILE 670 CO 0.20 0.46 -0.11 -0.76 -1.23 0.00 0.00 174.94 173.50 3bpr s LEU 671 N 1.14 2.33 0.38 2.97 1.43 -0.42 -0.37 118.68 126.13 3bpr s LEU 671 Ca 0.01 -0.69 -0.27 0.00 -1.03 0.00 0.00 54.13 52.15 3bpr s LEU 671 Cb -0.14 -0.37 -0.11 0.00 0.03 0.00 0.00 46.19 45.60 3bpr s LEU 671 CO -0.02 -0.18 1.33 -0.81 0.23 0.00 0.00 176.35 176.90 3bpr n PRO 672 N 0.99 2.17 -2.63 1.29 -0.04 -1.26 0.10 135.00 135.61 3bpr n PRO 672 Ca -0.19 0.76 -0.41 0.00 -0.04 0.00 0.00 63.50 63.62 3bpr n PRO 672 Cb 0.56 -2.43 -0.04 0.00 -0.04 0.00 0.00 33.50 31.54 3bpr n PRO 672 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 3bpr s PHE 673 N -1.14 3.73 -0.30 0.54 5.36 -0.87 -4.24 117.98 121.06 3bpr s PHE 673 Ca 0.57 1.72 -0.02 0.00 -0.96 0.00 0.00 56.93 58.25 3bpr s PHE 673 Cb -0.52 -3.15 0.05 0.00 -0.34 0.00 0.00 43.02 39.06 3bpr s PHE 673 CO 0.61 -0.13 0.00 -1.64 -1.46 0.00 0.00 175.22 172.59 3bpr s MET 674 N -0.33 2.41 0.38 10.12 -1.94 -1.26 -4.89 119.30 123.79 3bpr s MET 674 Ca 0.47 -1.28 0.15 0.00 -1.71 0.00 0.00 55.69 53.32 3bpr s MET 674 Cb -0.26 -3.18 0.76 0.00 2.01 0.00 0.00 34.83 34.16 3bpr s MET 674 CO 0.32 -0.63 1.83 1.57 -0.01 0.00 0.00 175.02 178.10 3bpr h LYS 675 N 7.99 0.00 0.00 2.03 2.10 -1.93 -2.26 116.57 124.50 3bpr h LYS 675 Ca -0.21 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.44 3bpr h LYS 675 Cb 1.06 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.39 3bpr h LYS 675 CO 0.53 0.36 0.00 0.66 -2.00 0.00 0.00 179.45 179.01 3bpr n TYR 676 N -3.98 0.12 -4.05 0.07 4.01 -1.26 -5.01 117.16 107.06 3bpr n TYR 676 Ca -0.02 0.04 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 3bpr n TYR 676 Cb 0.41 -0.56 0.00 0.00 -0.31 0.00 0.00 39.34 38.88 3bpr n TYR 676 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3bpr n GLY 677 N 1.28 -1.40 3.84 2.72 0.00 -0.85 -4.79 105.19 106.00 3bpr n GLY 677 Ca 0.06 -1.29 -0.32 0.00 0.00 0.00 0.00 46.02 44.47 3bpr n GLY 677 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3bpr s ASP 678 N -4.00 6.75 0.36 1.61 -4.77 -1.26 -1.39 116.67 113.98 3bpr s ASP 678 Ca 0.00 1.42 0.04 0.00 -3.30 0.00 0.00 52.55 50.71 3bpr s ASP 678 Cb 0.00 -2.44 0.69 0.00 -1.09 0.00 0.00 42.92 40.08 3bpr s ASP 678 CO 0.00 -0.35 1.99 0.25 0.70 0.00 0.00 175.17 177.76 3bpr h LEU 679 N 1.76 0.60 -0.27 2.11 5.85 0.28 -2.77 115.31 122.86 3bpr h LEU 679 Ca -0.48 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.19 3bpr h LEU 679 Cb 1.18 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.05 3bpr h LEU 679 CO 0.63 0.49 0.11 -0.74 -0.34 0.00 0.00 178.44 178.59 3bpr h HIS 680 N 0.68 0.41 0.00 1.25 2.76 -1.74 -1.03 115.15 117.49 3bpr h HIS 680 Ca 0.18 -0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.25 3bpr h HIS 680 Cb 0.03 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 28.85 3bpr h HIS 680 CO 0.00 0.41 -0.31 1.15 -1.30 0.00 0.00 177.93 177.89 3bpr h THR 681 N 0.29 0.70 -0.14 6.26 2.02 -1.84 -2.69 112.91 117.51 3bpr h THR 681 Ca 0.09 -1.38 -0.15 0.00 0.77 0.00 0.00 66.41 65.74 3bpr h THR 681 Cb 0.17 1.90 0.01 0.00 -1.74 0.00 0.00 68.15 68.49 3bpr h THR 681 CO -0.01 0.30 -0.51 0.22 0.37 0.00 0.00 175.52 175.89 3bpr h TYR 682 N 0.00 0.78 -0.25 3.16 5.03 -1.20 -1.18 116.97 123.32 3bpr h TYR 682 Ca -0.00 -0.33 0.04 0.00 2.58 0.00 0.00 58.73 61.02 3bpr h TYR 682 Cb 0.87 -0.13 -0.04 0.00 1.55 0.00 0.00 36.73 38.99 3bpr h TYR 682 CO 0.00 1.11 0.02 -0.07 -1.32 0.00 0.00 178.16 177.89 3bpr h LEU 683 N 0.24 -0.06 0.18 2.82 3.38 -0.89 -0.67 115.31 120.31 3bpr h LEU 683 Ca -0.02 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3bpr h LEU 683 Cb 1.14 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 3bpr h LEU 683 CO 0.11 -0.00 -0.16 -0.07 0.09 0.00 0.00 178.44 178.41 3bpr h LEU 684 N 0.10 -0.42 -1.03 1.67 3.38 -1.48 -2.41 115.31 115.11 3bpr h LEU 684 Ca 0.12 0.04 0.21 0.00 0.09 0.00 0.00 57.88 58.34 3bpr h LEU 684 Cb 0.14 0.15 -0.11 0.00 0.09 0.00 0.00 40.66 40.92 3bpr h LEU 684 CO -0.18 -0.25 0.61 1.88 0.09 0.00 0.00 178.44 180.59 3bpr h TYR 685 N -0.36 1.03 0.00 1.13 0.99 -0.89 0.18 116.97 119.05 3bpr h TYR 685 Ca -0.00 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.76 3bpr h TYR 685 Cb 0.34 -0.30 0.00 0.00 1.00 0.00 0.00 36.73 37.76 3bpr h TYR 685 CO -0.13 0.17 0.00 0.66 -0.00 0.00 0.00 178.16 178.86 3bpr h SER 686 N 0.68 0.00 -0.07 3.88 4.64 -0.60 -0.41 113.55 121.68 3bpr h SER 686 Ca 0.60 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.92 3bpr h SER 686 Cb 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 3bpr h SER 686 CO -0.40 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.10 3bpr n ARG 687 N -2.80 1.46 -4.97 4.77 1.74 0.05 -4.18 116.66 112.73 3bpr n ARG 687 Ca -0.01 -0.69 -0.31 0.00 -0.77 0.00 0.00 57.85 56.07 3bpr n ARG 687 Cb 0.12 -1.41 -0.15 0.00 -1.02 0.00 0.00 32.46 30.00 3bpr n ARG 687 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3bpr s LEU 688 N -1.76 2.27 0.99 0.55 1.43 -0.16 -5.13 118.68 116.87 3bpr s LEU 688 Ca 0.35 -0.49 -0.12 0.00 -1.03 0.00 0.00 54.13 52.84 3bpr s LEU 688 Cb 0.18 -1.37 0.13 0.00 0.03 0.00 0.00 46.19 45.16 3bpr s LEU 688 CO 0.29 0.28 0.77 -0.62 0.23 0.00 0.00 176.35 177.31 3bpr n GLU 689 N 1.96 -0.80 0.00 1.70 -0.58 -1.26 -3.11 120.64 118.55 3bpr n GLU 689 Ca -0.17 -0.19 0.00 0.00 -0.42 0.00 0.00 57.16 56.39 3bpr n GLU 689 Cb 0.52 -2.11 0.00 0.00 -0.57 0.00 0.00 31.44 29.28 3bpr n GLU 689 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 3bpr n THR 690 N -4.16 0.00 -1.79 2.62 -2.24 -1.26 -4.92 114.28 102.53 3bpr n THR 690 Ca 0.08 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.57 3bpr n THR 690 Cb 0.54 0.00 0.09 0.00 -2.10 0.00 0.00 70.33 68.86 3bpr n THR 690 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3bpr s GLY 691 N 0.00 1.60 0.10 3.38 0.00 -1.18 -4.99 107.32 106.23 3bpr s GLY 691 Ca 0.00 -0.51 -0.26 0.00 0.00 0.00 0.00 44.72 43.96 3bpr s GLY 691 CO 0.00 -0.04 0.57 -1.05 0.00 0.00 0.00 173.10 172.58 3bpr n PRO 692 N -3.35 0.00 -0.80 2.90 -0.01 -1.26 -4.85 135.00 127.63 3bpr n PRO 692 Ca 0.07 0.00 -0.33 0.00 -0.01 0.00 0.00 63.50 63.23 3bpr n PRO 692 Cb 0.59 -0.93 0.12 0.00 -0.01 0.00 0.00 33.50 33.27 3bpr n PRO 692 CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 175.50 175.85 3bpr n LYS 693 N 0.93 -0.32 -1.61 -0.52 0.00 -1.26 -4.18 118.16 111.20 3bpr n LYS 693 Ca 0.15 -0.05 -0.51 0.00 -0.00 0.00 0.00 58.31 57.89 3bpr n LYS 693 Cb 0.15 -1.81 -0.06 0.00 -0.00 0.00 0.00 35.03 33.31 3bpr n LYS 693 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 3bpr n HIS 694 N -3.57 2.01 -2.18 5.58 -0.00 -1.26 -4.84 115.22 110.96 3bpr n HIS 694 Ca 0.06 0.22 -0.43 0.00 0.46 0.00 0.00 57.72 58.03 3bpr n HIS 694 Cb 0.54 -2.57 -0.02 0.00 -0.12 0.00 0.00 29.99 27.81 3bpr n HIS 694 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 3bpr s ILE 695 N 5.20 3.78 0.81 3.57 1.01 -1.26 -5.01 121.20 129.31 3bpr s ILE 695 Ca 1.00 0.88 -0.12 0.00 0.00 0.00 0.00 60.65 62.42 3bpr s ILE 695 Cb -0.83 -3.80 0.08 0.00 0.01 0.00 0.00 42.46 37.92 3bpr s ILE 695 CO 0.54 -0.33 1.13 -2.16 0.00 0.00 0.00 174.94 174.11 3bpr s PRO 696 N 4.58 1.97 0.18 2.79 0.04 -1.26 -4.80 135.00 138.49 3bpr s PRO 696 Ca 0.68 0.37 -0.16 0.00 0.04 0.00 0.00 61.00 61.94 3bpr s PRO 696 Cb -0.23 -1.93 0.14 0.00 0.04 0.00 0.00 34.50 32.52 3bpr s PRO 696 CO 0.28 -1.64 1.67 1.25 0.04 0.00 0.00 177.00 178.60 3bpr h LEU 697 N -1.10 -0.30 -0.86 -3.56 5.85 -1.99 -1.02 115.31 112.33 3bpr h LEU 697 Ca -0.47 0.12 0.20 0.00 0.84 0.00 0.00 57.88 58.57 3bpr h LEU 697 Cb 1.30 0.23 -0.12 0.00 0.37 0.00 0.00 40.66 42.44 3bpr h LEU 697 CO 0.63 -0.11 0.35 1.56 -0.34 0.00 0.00 178.44 180.53 3bpr h GLN 698 N 0.05 0.38 -0.29 1.25 7.50 -1.96 -0.21 115.11 121.83 3bpr h GLN 698 Ca 0.22 -0.02 -0.14 0.00 0.50 0.00 0.00 58.65 59.21 3bpr h GLN 698 Cb 0.33 -0.08 -0.00 0.00 0.05 0.00 0.00 27.48 27.77 3bpr h GLN 698 CO -0.42 0.25 -0.37 1.15 -1.50 0.00 0.00 178.83 177.94 3bpr h THR 699 N 0.39 1.30 -0.66 -0.54 2.02 -1.57 -1.86 112.91 111.98 3bpr h THR 699 Ca 0.52 -1.55 0.04 0.00 0.77 0.00 0.00 66.41 66.19 3bpr h THR 699 Cb 0.95 1.61 -0.04 0.00 -1.74 0.00 0.00 68.15 68.93 3bpr h THR 699 CO -0.51 0.50 0.43 -0.07 0.37 0.00 0.00 175.52 176.24 3bpr h LEU 700 N 0.51 0.65 -0.20 2.58 3.38 -0.65 -1.41 115.31 120.18 3bpr h LEU 700 Ca 0.04 -0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 3bpr h LEU 700 Cb 0.96 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.56 3bpr h LEU 700 CO 0.09 0.44 -0.34 -0.07 0.09 0.00 0.00 178.44 178.64 3bpr h LEU 701 N 0.75 0.65 -0.81 1.67 3.38 -0.95 -2.85 115.31 117.14 3bpr h LEU 701 Ca 0.27 -0.53 0.14 0.00 0.09 0.00 0.00 57.88 57.85 3bpr h LEU 701 Cb 0.13 -0.18 -0.09 0.00 0.09 0.00 0.00 40.66 40.61 3bpr h LEU 701 CO -0.08 1.06 0.39 0.50 0.09 0.00 0.00 178.44 180.40 3bpr h LYS 702 N 0.26 0.55 -0.55 1.13 1.63 -0.90 0.11 116.57 118.79 3bpr h LYS 702 Ca 0.01 -0.03 0.07 0.00 -0.85 0.00 0.00 60.65 59.85 3bpr h LYS 702 Cb 0.93 -0.12 -0.06 0.00 -0.60 0.00 0.00 32.23 32.38 3bpr h LYS 702 CO 0.08 0.36 0.24 0.74 -3.45 0.00 0.00 179.45 177.42 3bpr h PHE 703 N 0.56 0.43 -0.37 1.91 0.04 -1.17 -1.17 116.94 117.18 3bpr h PHE 703 Ca 0.44 0.03 -0.12 0.00 2.80 0.00 0.00 57.97 61.12 3bpr h PHE 703 Cb 0.64 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.67 3bpr h PHE 703 CO -0.11 0.16 -0.22 0.52 -0.60 0.00 0.00 178.31 178.06 3bpr h MET 704 N 0.45 0.80 0.19 1.51 2.86 -0.95 -2.95 114.93 116.85 3bpr h MET 704 Ca 0.26 -0.37 0.01 0.00 -2.06 0.00 0.00 59.70 57.54 3bpr h MET 704 Cb 0.25 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 3bpr h MET 704 CO -0.23 1.00 -0.20 0.28 1.06 0.00 0.00 176.91 178.81 3bpr h VAL 705 N 0.60 0.55 -0.78 -2.22 2.07 -0.38 0.19 116.25 116.29 3bpr h VAL 705 Ca 0.08 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.75 3bpr h VAL 705 Cb 0.78 0.55 -0.14 0.00 -1.52 0.00 0.00 31.29 30.95 3bpr h VAL 705 CO 0.06 0.00 -0.25 0.44 0.02 0.00 0.00 177.57 177.84 3bpr h ASP 706 N -0.43 -0.93 -0.54 0.57 5.19 -1.23 0.41 116.42 119.47 3bpr h ASP 706 Ca 0.00 0.25 -0.10 0.00 -0.62 0.00 0.00 57.03 56.56 3bpr h ASP 706 Cb 0.41 0.55 -0.02 0.00 0.18 0.00 0.00 39.33 40.45 3bpr h ASP 706 CO -0.06 -0.28 -0.05 0.40 -3.12 0.00 0.00 179.24 176.14 3bpr h ILE 707 N -0.04 1.26 -0.25 0.35 2.04 -1.25 0.25 117.51 119.88 3bpr h ILE 707 Ca 0.35 -1.18 0.02 0.00 1.00 0.00 0.00 64.86 65.05 3bpr h ILE 707 Cb 0.58 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 3bpr h ILE 707 CO -0.81 0.42 0.10 0.00 0.00 0.00 0.00 178.15 177.85 3bpr h ALA 708 N 1.03 0.28 -0.08 1.87 0.00 0.15 0.11 119.26 122.62 3bpr h ALA 708 Ca 0.16 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 3bpr h ALA 708 Cb 0.59 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 3bpr h ALA 708 CO 0.04 -0.31 0.04 -0.07 0.00 0.00 0.00 179.25 178.94 3bpr h LEU 709 N 0.22 0.11 -0.45 0.00 3.38 0.25 0.37 115.31 119.19 3bpr h LEU 709 Ca 0.11 -0.14 0.09 0.00 0.09 0.00 0.00 57.88 58.03 3bpr h LEU 709 Cb 0.06 -0.03 -0.08 0.00 0.09 0.00 0.00 40.66 40.70 3bpr h LEU 709 CO -0.10 0.21 -0.11 1.23 0.09 0.00 0.00 178.44 179.77 3bpr h GLY 710 N -0.01 0.33 1.89 0.83 0.00 -0.25 -2.07 103.07 103.80 3bpr h GLY 710 Ca 0.03 0.14 -0.11 0.00 0.00 0.00 0.00 47.33 47.39 3bpr h GLY 710 CO -0.00 -0.17 -0.45 -0.33 0.00 0.00 0.00 176.54 175.59 3bpr h MET 711 N 0.01 0.13 0.14 4.80 2.86 -0.53 -2.72 114.93 119.61 3bpr h MET 711 Ca 0.22 -0.06 0.02 0.00 -2.06 0.00 0.00 59.70 57.81 3bpr h MET 711 Cb 0.33 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.95 3bpr h MET 711 CO -0.46 0.55 -0.34 1.49 1.06 0.00 0.00 176.91 179.21 3bpr h GLU 712 N 0.10 -0.56 -0.55 1.72 4.81 0.40 -0.97 114.58 119.53 3bpr h GLU 712 Ca 0.01 0.04 0.11 0.00 -0.13 0.00 0.00 59.36 59.38 3bpr h GLU 712 Cb 0.84 0.13 -0.09 0.00 0.63 0.00 0.00 28.75 30.26 3bpr h GLU 712 CO 0.06 -0.38 0.00 -0.92 -0.73 0.00 0.00 179.01 177.05 3bpr h TYR 713 N -0.58 -0.03 -0.44 0.92 3.20 -1.36 -2.51 116.97 116.17 3bpr h TYR 713 Ca 0.02 0.04 -0.13 0.00 3.14 0.00 0.00 58.73 61.80 3bpr h TYR 713 Cb 0.61 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.96 3bpr h TYR 713 CO -0.30 -0.13 -0.25 -0.07 -1.64 0.00 0.00 178.16 175.78 3bpr h LEU 714 N 0.12 0.97 -1.72 2.82 3.38 -1.20 -2.46 115.31 117.21 3bpr h LEU 714 Ca 0.28 -0.41 0.04 0.00 0.09 0.00 0.00 57.88 57.88 3bpr h LEU 714 Cb 0.43 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3bpr h LEU 714 CO -0.46 1.17 0.26 -1.28 0.09 0.00 0.00 178.44 178.22 3bpr h SER 715 N 0.77 0.31 -0.29 -0.43 0.87 -1.03 0.90 113.55 114.66 3bpr h SER 715 Ca 0.09 -0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.52 3bpr h SER 715 Cb 0.82 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.71 3bpr h SER 715 CO 0.07 0.21 -0.33 0.78 -0.53 0.00 0.00 176.83 177.04 3bpr h ASN 716 N 0.36 0.78 0.00 6.23 2.35 -1.02 -2.47 115.58 121.81 3bpr h ASN 716 Ca 0.16 -0.49 0.00 0.00 -0.55 0.00 0.00 56.30 55.43 3bpr h ASN 716 Cb 0.19 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.34 3bpr h ASN 716 CO -0.04 1.11 0.00 0.54 -1.65 0.00 0.00 177.43 177.39 3bpr n ARG 717 N -4.23 0.48 -3.78 0.81 1.74 -0.97 -4.82 116.66 105.89 3bpr n ARG 717 Ca -0.04 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.77 3bpr n ARG 717 Cb 0.50 -1.39 0.05 0.00 -1.02 0.00 0.00 32.46 30.59 3bpr n ARG 717 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3bpr n ASN 718 N -0.89 -5.32 -4.65 0.55 5.03 -0.93 -4.96 115.26 104.09 3bpr n ASN 718 Ca 0.09 -0.69 -0.35 0.00 0.87 0.00 0.00 54.58 54.51 3bpr n ASN 718 Cb 0.04 -4.35 -0.09 0.00 -1.02 0.00 0.00 39.78 34.36 3bpr n ASN 718 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 3bpr s PHE 719 N -3.32 3.28 -0.29 3.10 2.19 0.27 -5.01 117.98 118.20 3bpr s PHE 719 Ca 0.61 0.12 -0.15 0.00 0.33 0.00 0.00 56.93 57.85 3bpr s PHE 719 Cb -0.29 -2.11 -0.03 0.00 -1.31 0.00 0.00 43.02 39.28 3bpr s PHE 719 CO 0.79 0.17 0.36 -0.51 1.83 0.00 0.00 175.22 177.86 3bpr s LEU 720 N 0.42 4.16 -0.02 6.12 1.02 -1.26 -4.21 118.68 124.91 3bpr s LEU 720 Ca 0.04 0.10 -0.15 0.00 0.02 0.00 0.00 54.13 54.14 3bpr s LEU 720 Cb -0.12 -2.38 -0.08 0.00 0.02 0.00 0.00 46.19 43.63 3bpr s LEU 720 CO -0.00 -0.23 0.69 -0.74 0.02 0.00 0.00 176.35 176.09 3bpr h HIS 721 N 8.29 -0.50 0.00 0.29 2.76 -1.96 -3.43 115.15 120.60 3bpr h HIS 721 Ca -0.31 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.85 3bpr h HIS 721 Cb 1.16 0.17 0.00 0.00 1.55 0.00 0.00 27.41 30.28 3bpr h HIS 721 CO 0.74 -0.31 0.00 0.54 -1.30 0.00 0.00 177.93 177.60 3bpr n ARG 722 N -4.74 -0.51 -2.69 5.26 1.74 -1.26 -0.91 116.66 113.54 3bpr n ARG 722 Ca -0.07 0.13 -0.07 0.00 -0.77 0.00 0.00 57.85 57.07 3bpr n ARG 722 Cb 0.21 -3.54 0.11 0.00 -1.02 0.00 0.00 32.46 28.23 3bpr n ARG 722 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3bpr n ASP 723 N -0.25 -1.44 -4.69 0.55 2.03 -1.26 -4.88 116.55 106.61 3bpr n ASP 723 Ca 0.00 -2.47 -0.40 0.00 0.52 0.00 0.00 54.79 52.44 3bpr n ASP 723 Cb 0.13 0.79 -0.05 0.00 -0.72 0.00 0.00 41.12 41.27 3bpr n ASP 723 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3bpr s LEU 724 N -3.26 4.25 0.04 -2.67 2.96 -1.26 -4.81 118.68 113.93 3bpr s LEU 724 Ca 0.22 1.11 -0.28 0.00 -0.22 0.00 0.00 54.13 54.96 3bpr s LEU 724 Cb 0.41 -3.08 0.09 0.00 0.50 0.00 0.00 46.19 44.12 3bpr s LEU 724 CO -0.08 -0.21 0.91 0.00 -1.32 0.00 0.00 176.35 175.65 3bpr s ALA 725 N 1.33 -1.78 0.40 5.97 0.00 -1.26 -4.69 121.76 121.72 3bpr s ALA 725 Ca 0.36 0.79 0.26 0.00 0.00 0.00 0.00 51.96 53.37 3bpr s ALA 725 Cb -0.17 0.48 1.38 0.00 0.00 0.00 0.00 23.12 24.81 3bpr s ALA 725 CO 0.15 -0.78 2.05 0.00 0.00 0.00 0.00 175.76 177.18 3bpr h ALA 726 N 2.00 1.28 0.00 0.00 0.00 -1.94 -1.22 119.26 119.38 3bpr h ALA 726 Ca -0.23 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 3bpr h ALA 726 Cb 1.24 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 3bpr h ALA 726 CO 0.30 0.17 -0.00 0.07 0.00 0.00 0.00 179.25 179.78 3bpr h ARG 727 N 0.00 0.00 -0.34 0.00 0.11 -1.96 -2.62 114.38 109.57 3bpr h ARG 727 Ca -0.00 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 59.97 3bpr h ARG 727 Cb 0.37 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 31.38 3bpr h ARG 727 CO 0.02 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.18 3bpr n ASN 728 N -3.11 3.22 -4.23 0.08 5.03 -0.46 -4.78 115.26 111.01 3bpr n ASN 728 Ca -0.02 -3.40 -0.31 0.00 0.87 0.00 0.00 54.58 51.72 3bpr n ASN 728 Cb 0.14 -0.60 -0.17 0.00 -1.02 0.00 0.00 39.78 38.13 3bpr n ASN 728 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3bpr s MET 730 N 0.12 2.81 -0.20 0.00 -1.94 -0.34 0.74 119.30 120.49 3bpr s MET 730 Ca -0.11 -0.98 -0.08 0.00 -1.71 0.00 0.00 55.69 52.80 3bpr s MET 730 Cb -0.16 -2.56 -0.04 0.00 2.01 0.00 0.00 34.83 34.08 3bpr s MET 730 CO 0.06 0.45 0.09 -0.51 -0.01 0.00 0.00 175.02 175.10 3bpr s LEU 731 N -3.33 3.91 0.83 -0.03 1.43 -0.49 -1.99 118.68 119.01 3bpr s LEU 731 Ca 0.31 0.10 -0.12 0.00 -1.03 0.00 0.00 54.13 53.39 3bpr s LEU 731 Cb -0.09 -2.01 0.09 0.00 0.03 0.00 0.00 46.19 44.21 3bpr s LEU 731 CO 0.23 0.15 1.11 -0.13 0.23 0.00 0.00 176.35 177.93 3bpr s ARG 732 N 0.54 1.85 0.66 1.70 0.52 0.78 -4.11 118.95 120.89 3bpr s ARG 732 Ca 0.05 0.57 0.36 0.00 -0.52 0.00 0.00 55.73 56.19 3bpr s ARG 732 Cb -0.12 -1.90 1.98 0.00 0.52 0.00 0.00 34.95 35.43 3bpr s ARG 732 CO 0.01 -1.76 2.12 -0.44 0.02 0.00 0.00 175.30 175.24 3bpr h ASP 733 N -1.19 0.00 -0.38 0.23 5.19 -1.94 0.55 116.42 118.88 3bpr h ASP 733 Ca -0.48 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.93 3bpr h ASP 733 Cb 1.28 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.79 3bpr h ASP 733 CO 0.60 0.00 0.00 -0.90 -3.12 0.00 0.00 179.24 175.82 3bpr n ASP 734 N -2.95 4.44 -0.53 6.45 5.68 -1.26 -4.96 116.55 123.42 3bpr n ASP 734 Ca -0.02 -2.90 -0.07 0.00 -0.50 0.00 0.00 54.79 51.30 3bpr n ASP 734 Cb 0.23 -0.57 -0.03 0.00 -1.14 0.00 0.00 41.12 39.61 3bpr n ASP 734 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 3bpr n MET 735 N -0.01 -1.20 -2.32 0.11 2.81 0.19 -5.01 117.12 111.69 3bpr n MET 735 Ca 0.23 0.66 -0.38 0.00 -1.81 0.00 0.00 57.70 56.40 3bpr n MET 735 Cb 0.96 -4.73 -0.02 0.00 -0.71 0.00 0.00 33.22 28.71 3bpr n MET 735 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 3bpr s THR 736 N -1.89 3.20 -0.10 2.03 2.01 -1.26 -4.78 115.64 114.86 3bpr s THR 736 Ca 0.00 1.01 -0.08 0.00 0.31 0.00 0.00 61.69 62.92 3bpr s THR 736 Cb 0.00 -3.56 -0.04 0.00 0.01 0.00 0.00 72.50 68.91 3bpr s THR 736 CO 0.00 0.09 0.19 -0.69 -0.69 0.00 0.00 174.62 173.52 3bpr s VAL 737 N -1.43 5.42 0.11 3.82 1.01 -1.26 -0.15 120.40 127.92 3bpr s VAL 737 Ca 0.57 0.32 0.04 0.00 0.00 0.00 0.00 61.98 62.91 3bpr s VAL 737 Cb -0.30 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 3bpr s VAL 737 CO 0.38 0.61 -0.10 0.00 0.00 0.00 0.00 175.10 175.98 3bpr s VAL 739 N -2.72 4.64 0.34 0.00 1.01 -0.58 -1.19 120.40 121.89 3bpr s VAL 739 Ca 0.09 1.28 0.07 0.00 0.00 0.00 0.00 61.98 63.43 3bpr s VAL 739 Cb -0.01 -3.92 -0.03 0.00 0.00 0.00 0.00 36.38 32.42 3bpr s VAL 739 CO 0.00 0.43 0.27 0.00 0.00 0.00 0.00 175.10 175.80 3bpr n ALA 740 N 1.35 0.71 -1.17 5.51 0.00 -0.65 -1.63 120.51 124.62 3bpr n ALA 740 Ca -0.07 -1.95 -0.06 0.00 0.00 0.00 0.00 53.44 51.36 3bpr n ALA 740 Cb 0.50 1.56 -0.03 0.00 0.00 0.00 0.00 19.45 21.49 3bpr n ALA 740 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3bpr n ASP 741 N -1.68 -5.48 -4.75 0.00 9.92 -1.26 -4.84 116.55 108.46 3bpr n ASP 741 Ca 0.07 0.15 -0.41 0.00 -0.53 0.00 0.00 54.79 54.06 3bpr n ASP 741 Cb 0.60 -3.51 -0.01 0.00 -0.64 0.00 0.00 41.12 37.56 3bpr n ASP 741 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 3bpr s PHE 742 N -1.64 2.75 0.00 1.24 -0.12 -1.26 -4.54 117.98 114.41 3bpr s PHE 742 Ca 0.00 0.85 0.00 0.00 -0.05 0.00 0.00 56.93 57.73 3bpr s PHE 742 Cb 0.00 -4.05 0.00 0.00 -0.63 0.00 0.00 43.02 38.34 3bpr s PHE 742 CO 0.00 -3.44 0.00 0.41 -0.05 0.00 0.00 175.22 172.14 3bpr n GLY 743 N 1.93 2.41 3.40 1.99 0.00 -0.09 -4.91 105.19 109.93 3bpr n GLY 743 Ca 0.07 0.26 -0.18 0.00 0.00 0.00 0.00 46.02 46.17 3bpr n GLY 743 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3bpr n LEU 744 N 0.00 -4.61 0.00 0.99 4.32 -1.26 -4.91 117.00 111.53 3bpr n LEU 744 Ca 0.00 -0.67 0.00 0.00 -0.02 0.00 0.00 56.01 55.32 3bpr n LEU 744 Cb 0.00 -2.79 0.00 0.00 -1.62 0.00 0.00 43.42 39.01 3bpr n LEU 744 CO 0.00 -0.08 0.00 -0.24 -1.22 0.00 0.00 177.39 175.85 3bpr n SER 745 N -2.57 0.00 0.00 -1.43 2.88 -1.26 -5.20 113.62 106.04 3bpr n SER 745 Ca -0.09 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.45 3bpr n SER 745 Cb 0.58 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.04 3bpr n SER 745 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3bpr n PRO 763 N 0.00 0.00 -0.24 -1.46 -0.04 -1.26 -5.15 135.00 126.85 3bpr n PRO 763 Ca 0.00 0.00 0.17 0.00 -0.04 0.00 0.00 63.50 63.63 3bpr n PRO 763 Cb 0.00 0.00 0.48 0.00 -0.04 0.00 0.00 33.50 33.94 3bpr n PRO 763 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3bpr h VAL 764 N 0.00 0.72 0.00 0.52 2.07 -1.97 -0.65 116.25 116.93 3bpr h VAL 764 Ca 0.00 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.36 3bpr h VAL 764 Cb 0.00 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 29.97 3bpr h VAL 764 CO 0.00 0.09 0.00 0.29 0.02 0.00 0.00 177.57 177.97 3bpr n LYS 765 N -4.53 0.84 0.00 1.57 5.02 -1.26 -2.64 118.16 117.16 3bpr n LYS 765 Ca 0.19 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.52 3bpr n LYS 765 Cb 0.64 -1.44 -0.04 0.00 -0.02 0.00 0.00 35.03 34.16 3bpr n LYS 765 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 3bpr n TRP 766 N -0.94 0.00 -2.93 2.13 8.01 -0.25 -4.96 117.44 118.49 3bpr n TRP 766 Ca 0.18 0.00 -0.40 0.00 -1.31 0.00 0.00 57.50 55.97 3bpr n TRP 766 Cb 0.08 0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.33 3bpr n TRP 766 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.69 177.10 3bpr s ILE 767 N -1.81 4.43 0.47 -0.99 1.01 -1.08 -3.83 121.20 119.41 3bpr s ILE 767 Ca 0.05 1.76 -0.21 0.00 0.00 0.00 0.00 60.65 62.25 3bpr s ILE 767 Cb 0.08 -4.17 -0.08 0.00 0.01 0.00 0.00 42.46 38.29 3bpr s ILE 767 CO 0.37 0.46 1.07 0.00 0.00 0.00 0.00 174.94 176.85 3bpr s ALA 768 N -0.79 2.90 0.27 9.38 0.00 -1.26 -4.83 121.76 127.43 3bpr s ALA 768 Ca 0.38 0.70 -0.08 0.00 0.00 0.00 0.00 51.96 52.96 3bpr s ALA 768 Cb -0.23 -3.29 0.45 0.00 0.00 0.00 0.00 23.12 20.05 3bpr s ALA 768 CO 0.26 -0.41 1.58 -0.84 0.00 0.00 0.00 175.76 176.36 3bpr h ILE 769 N 1.67 0.11 -0.22 0.00 -0.00 -1.97 -1.16 117.51 115.94 3bpr h ILE 769 Ca -0.49 -0.00 -0.09 0.00 -0.00 0.00 0.00 64.86 64.27 3bpr h ILE 769 Cb 1.23 0.10 -0.01 0.00 -0.00 0.00 0.00 36.82 38.13 3bpr h ILE 769 CO 0.59 0.00 -0.27 1.05 -0.00 0.00 0.00 178.15 179.53 3bpr h GLU 770 N 0.01 0.42 -0.08 0.16 9.09 -1.91 0.16 114.58 122.42 3bpr h GLU 770 Ca 0.45 -0.16 -0.20 0.00 0.05 0.00 0.00 59.36 59.51 3bpr h GLU 770 Cb 0.74 -0.03 0.00 0.00 -1.65 0.00 0.00 28.75 27.81 3bpr h GLU 770 CO -0.91 0.65 -0.78 0.77 0.05 0.00 0.00 179.01 178.80 3bpr h SER 771 N 0.37 0.61 -0.16 3.06 0.02 -1.33 0.43 113.55 116.55 3bpr h SER 771 Ca 0.05 -0.41 -0.01 0.00 -0.84 0.00 0.00 61.79 60.58 3bpr h SER 771 Cb 0.67 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.02 3bpr h SER 771 CO 0.05 1.18 0.06 0.25 -1.14 0.00 0.00 176.83 177.22 3bpr h LEU 772 N 0.34 0.23 0.17 5.07 5.85 -0.54 -2.29 115.31 124.15 3bpr h LEU 772 Ca -0.04 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 3bpr h LEU 772 Cb 1.38 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.35 3bpr h LEU 772 CO 0.14 0.36 -0.08 0.00 -0.34 0.00 0.00 178.44 178.52 3bpr h ALA 773 N 0.88 -0.56 -0.02 1.25 0.00 -0.67 -3.41 119.26 116.74 3bpr h ALA 773 Ca 0.05 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3bpr h ALA 773 Cb 0.21 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3bpr h ALA 773 CO -0.00 -0.54 -0.44 -0.40 0.00 0.00 0.00 179.25 177.86 3bpr n ASP 774 N -3.11 1.98 0.00 0.00 5.75 0.15 -4.97 116.55 116.35 3bpr n ASP 774 Ca -0.03 -1.49 0.00 0.00 -0.01 0.00 0.00 54.79 53.26 3bpr n ASP 774 Cb 0.09 0.47 0.00 0.00 -1.03 0.00 0.00 41.12 40.65 3bpr n ASP 774 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3bpr n ARG 775 N -0.01 0.00 -1.50 0.11 1.74 -0.86 -4.99 116.66 111.15 3bpr n ARG 775 Ca 0.09 0.00 -0.47 0.00 -0.77 0.00 0.00 57.85 56.69 3bpr n ARG 775 Cb 0.45 -1.16 -0.03 0.00 -1.02 0.00 0.00 32.46 30.70 3bpr n ARG 775 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3bpr n VAL 776 N -2.00 1.77 -3.60 1.55 0.31 -1.26 -4.88 118.33 110.22 3bpr n VAL 776 Ca 0.00 -0.44 -0.13 0.00 -0.01 0.00 0.00 64.34 63.76 3bpr n VAL 776 Cb 0.00 -0.48 -0.12 0.00 -0.91 0.00 0.00 33.84 32.33 3bpr n VAL 776 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 3bpr s TYR 777 N -0.88 -0.49 0.34 3.52 5.04 -1.26 -3.58 117.35 120.04 3bpr s TYR 777 Ca 0.64 0.91 0.04 0.00 -2.44 0.00 0.00 57.07 56.22 3bpr s TYR 777 Cb -0.85 -0.04 -0.06 0.00 0.35 0.00 0.00 41.96 41.36 3bpr s TYR 777 CO 0.57 -0.45 0.06 0.95 -1.34 0.00 0.00 175.55 175.34 3bpr s THR 778 N 2.44 1.24 0.39 4.34 -4.23 -1.26 -4.99 115.64 113.58 3bpr s THR 778 Ca 0.03 -2.00 0.36 0.00 -1.18 0.00 0.00 61.69 58.90 3bpr s THR 778 Cb -0.13 -2.80 0.36 0.00 1.34 0.00 0.00 72.50 71.27 3bpr s THR 778 CO -0.10 0.00 2.10 0.77 -0.54 0.00 0.00 174.62 176.85 3bpr h SER 779 N 2.07 0.00 -0.03 3.99 4.64 -1.99 0.97 113.55 123.19 3bpr h SER 779 Ca -0.41 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.85 3bpr h SER 779 Cb 1.25 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.32 3bpr h SER 779 CO 0.70 0.00 -0.13 0.11 -0.87 0.00 0.00 176.83 176.64 3bpr h LYS 780 N 0.00 0.34 -0.35 4.77 1.79 -1.94 -0.87 116.57 120.30 3bpr h LYS 780 Ca 0.00 -0.09 -0.09 0.00 -2.18 0.00 0.00 60.65 58.29 3bpr h LYS 780 Cb 0.07 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.66 3bpr h LYS 780 CO 0.00 0.48 -0.16 0.77 -1.08 0.00 0.00 179.45 179.46 3bpr h SER 781 N 0.32 0.63 -0.72 0.86 0.02 0.60 -1.04 113.55 114.23 3bpr h SER 781 Ca 0.06 -0.19 -0.06 0.00 -0.84 0.00 0.00 61.79 60.76 3bpr h SER 781 Cb 0.43 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.77 3bpr h SER 781 CO 0.03 0.81 0.23 0.44 -1.14 0.00 0.00 176.83 177.20 3bpr h ASP 782 N 0.58 1.04 -0.34 3.07 3.32 -1.40 -1.93 116.42 120.77 3bpr h ASP 782 Ca 0.10 -0.19 0.07 0.00 0.02 0.00 0.00 57.03 57.03 3bpr h ASP 782 Cb 0.60 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 3bpr h ASP 782 CO 0.04 0.96 0.24 0.58 -1.72 0.00 0.00 179.24 179.34 3bpr h VAL 783 N 1.08 0.89 0.08 -1.35 2.07 -0.13 0.17 116.25 119.06 3bpr h VAL 783 Ca 0.24 -0.04 -0.00 0.00 0.82 0.00 0.00 66.70 67.71 3bpr h VAL 783 Cb 0.29 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 3bpr h VAL 783 CO -0.01 0.02 -0.04 -0.25 0.02 0.00 0.00 177.57 177.32 3bpr h TRP 784 N 0.12 -0.09 -0.79 1.57 2.91 -0.61 -2.67 115.95 116.39 3bpr h TRP 784 Ca 0.16 -0.00 0.13 0.00 1.13 0.00 0.00 58.89 60.31 3bpr h TRP 784 Cb 0.46 0.03 -0.09 0.00 -0.51 0.00 0.00 29.16 29.05 3bpr h TRP 784 CO -0.00 0.38 0.38 0.00 -1.03 0.00 0.00 178.44 178.17 3bpr h ALA 785 N 0.22 1.14 -0.55 2.65 0.00 -0.66 -1.16 119.26 120.90 3bpr h ALA 785 Ca -0.01 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3bpr h ALA 785 Cb 0.52 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 3bpr h ALA 785 CO 0.02 -0.11 0.36 0.35 0.00 0.00 0.00 179.25 179.87 3bpr h PHE 786 N 0.57 0.69 -0.26 0.00 3.57 -0.60 0.05 116.94 120.95 3bpr h PHE 786 Ca 0.42 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.90 3bpr h PHE 786 Cb 0.58 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 3bpr h PHE 786 CO -0.12 0.44 0.01 0.78 -2.23 0.00 0.00 178.31 177.19 3bpr h GLY 787 N 0.75 0.50 0.62 2.40 0.00 -0.87 0.09 103.07 106.56 3bpr h GLY 787 Ca 0.20 -0.36 0.06 0.00 0.00 0.00 0.00 47.33 47.23 3bpr h GLY 787 CO -0.04 0.33 0.22 -2.08 0.00 0.00 0.00 176.54 174.97 3bpr h VAL 788 N 0.25 0.89 -0.73 4.60 2.07 -0.97 -2.11 116.25 120.26 3bpr h VAL 788 Ca 0.08 -0.15 0.02 0.00 0.82 0.00 0.00 66.70 67.47 3bpr h VAL 788 Cb 0.40 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 3bpr h VAL 788 CO 0.01 0.08 0.47 0.74 0.02 0.00 0.00 177.57 178.89 3bpr h THR 789 N 0.43 1.15 -0.14 2.57 2.02 -0.53 -0.03 112.91 118.38 3bpr h THR 789 Ca 0.24 -0.32 0.03 0.00 0.77 0.00 0.00 66.41 67.13 3bpr h THR 789 Cb 0.20 0.12 -0.03 0.00 -1.74 0.00 0.00 68.15 66.70 3bpr h THR 789 CO -0.20 0.17 -0.08 0.24 0.37 0.00 0.00 175.52 176.02 3bpr h MET 790 N 0.94 -0.07 -0.49 6.66 2.86 -0.52 -1.76 114.93 122.56 3bpr h MET 790 Ca 0.28 0.00 0.08 0.00 -2.06 0.00 0.00 59.70 58.00 3bpr h MET 790 Cb -0.05 0.02 -0.07 0.00 0.06 0.00 0.00 31.60 31.55 3bpr h MET 790 CO -0.08 -0.04 0.10 2.35 1.06 0.00 0.00 176.91 180.29 3bpr h TRP 791 N -0.07 0.15 -0.90 -0.22 7.01 -0.77 0.12 115.95 121.28 3bpr h TRP 791 Ca 0.08 0.03 0.17 0.00 2.11 0.00 0.00 58.89 61.28 3bpr h TRP 791 Cb 0.19 0.00 -0.10 0.00 -2.10 0.00 0.00 29.16 27.15 3bpr h TRP 791 CO -0.21 -0.00 0.47 0.93 -2.79 0.00 0.00 178.44 176.84 3bpr h GLU 792 N 0.23 0.59 -0.18 2.65 5.08 -0.23 0.11 114.58 122.82 3bpr h GLU 792 Ca 0.24 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.50 3bpr h GLU 792 Cb 0.32 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 3bpr h GLU 792 CO -0.32 0.39 -0.17 0.82 -1.00 0.00 0.00 179.01 178.74 3bpr h ILE 793 N 0.61 1.33 -0.62 3.13 2.04 -0.42 -0.32 117.51 123.26 3bpr h ILE 793 Ca 0.52 -1.31 0.06 0.00 1.00 0.00 0.00 64.86 65.12 3bpr h ILE 793 Cb 0.81 1.78 -0.04 0.00 -0.74 0.00 0.00 36.82 38.63 3bpr h ILE 793 CO -0.40 0.39 0.41 0.00 0.00 0.00 0.00 178.15 178.55 3bpr h ALA 794 N 0.64 1.78 -0.01 1.87 0.00 0.31 -1.93 119.26 121.92 3bpr h ALA 794 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3bpr h ALA 794 Cb 0.70 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3bpr h ALA 794 CO 0.04 0.13 -0.31 0.25 0.00 0.00 0.00 179.25 179.35 3bpr n THR 795 N -4.47 0.00 -3.48 0.00 -2.24 0.26 -4.95 114.28 99.40 3bpr n THR 795 Ca 0.09 -0.18 -0.20 0.00 -2.27 0.00 0.00 64.05 61.49 3bpr n THR 795 Cb 0.22 0.70 0.08 0.00 -2.10 0.00 0.00 70.33 69.23 3bpr n THR 795 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3bpr n ARG 796 N -0.38 -7.10 0.00 -0.78 1.74 -0.56 -4.08 116.66 105.50 3bpr n ARG 796 Ca 0.12 0.81 0.00 0.00 -0.77 0.00 0.00 57.85 58.01 3bpr n ARG 796 Cb 0.39 -5.77 0.00 0.00 -1.02 0.00 0.00 32.46 26.06 3bpr n ARG 796 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3bpr n GLY 797 N -1.55 1.21 3.77 -0.13 0.00 -0.24 -4.06 105.19 104.19 3bpr n GLY 797 Ca -0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.51 3bpr n GLY 797 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3bpr s MET 798 N -0.00 4.07 0.22 1.61 -1.94 -1.26 -4.98 119.30 117.03 3bpr s MET 798 Ca 0.00 1.73 -0.30 0.00 -1.71 0.00 0.00 55.69 55.41 3bpr s MET 798 Cb 0.00 -2.63 -0.09 0.00 2.01 0.00 0.00 34.83 34.12 3bpr s MET 798 CO 0.00 -0.27 1.30 0.99 -0.01 0.00 0.00 175.02 177.02 3bpr s THR 799 N -1.49 3.15 0.53 2.05 2.01 -1.26 -4.78 115.64 115.85 3bpr s THR 799 Ca 0.58 0.98 -0.22 0.00 0.31 0.00 0.00 61.69 63.34 3bpr s THR 799 Cb -0.28 -3.63 -0.05 0.00 0.01 0.00 0.00 72.50 68.55 3bpr s THR 799 CO 0.35 0.17 1.35 -2.84 -0.69 0.00 0.00 174.62 172.95 3bpr s PRO 800 N -0.46 3.26 -0.84 4.92 0.02 -1.26 -4.09 135.00 136.55 3bpr s PRO 800 Ca 0.55 2.22 -0.02 0.00 0.02 0.00 0.00 61.00 63.76 3bpr s PRO 800 Cb -0.37 -2.32 -0.03 0.00 0.02 0.00 0.00 34.50 31.81 3bpr s PRO 800 CO 0.41 -1.09 0.76 0.66 -0.33 0.00 0.00 177.00 177.41 3bpr n TYR 801 N -0.88 -2.68 -1.99 6.54 4.02 -1.26 -4.95 117.16 115.96 3bpr n TYR 801 Ca 0.09 0.99 -0.40 0.00 -0.01 0.00 0.00 57.90 58.57 3bpr n TYR 801 Cb 0.45 -4.04 -0.00 0.00 -0.02 0.00 0.00 39.34 35.72 3bpr n TYR 801 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 3bpr s PRO 802 N -3.55 3.99 0.00 -0.72 0.04 -1.26 -2.35 135.00 131.15 3bpr s PRO 802 Ca 0.18 2.25 0.00 0.00 0.04 0.00 0.00 61.00 63.47 3bpr s PRO 802 Cb -0.02 -2.81 0.00 0.00 0.04 0.00 0.00 34.50 31.71 3bpr s PRO 802 CO 0.72 -0.51 0.00 0.41 0.04 0.00 0.00 177.00 177.66 3bpr n GLY 803 N 0.65 2.79 3.51 0.56 0.00 -1.26 -5.01 105.19 106.43 3bpr n GLY 803 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3bpr n GLY 803 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bpr s VAL 804 N -1.63 5.07 0.63 1.61 1.01 -0.99 -5.07 120.40 121.02 3bpr s VAL 804 Ca 0.00 -0.14 -0.16 0.00 0.00 0.00 0.00 61.98 61.68 3bpr s VAL 804 Cb 0.00 -4.00 -0.01 0.00 0.00 0.00 0.00 36.38 32.36 3bpr s VAL 804 CO 0.00 -0.35 1.13 -1.10 0.00 0.00 0.00 175.10 174.78 3bpr s GLN 805 N 2.22 2.89 0.21 2.72 -0.21 -1.26 -4.93 119.66 121.29 3bpr s GLN 805 Ca 0.14 1.51 -0.11 0.00 0.02 0.00 0.00 55.36 56.92 3bpr s GLN 805 Cb -0.16 -1.95 0.28 0.00 1.00 0.00 0.00 33.01 32.17 3bpr s GLN 805 CO 0.14 -1.20 1.67 -0.91 -2.12 0.00 0.00 175.29 172.86 3bpr h ASN 806 N 0.35 -0.27 0.35 5.90 2.35 -1.97 -2.12 115.58 120.17 3bpr h ASN 806 Ca -0.48 0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.42 3bpr h ASN 806 Cb 1.26 0.26 0.00 0.00 0.05 0.00 0.00 38.32 39.89 3bpr h ASN 806 CO 0.54 -0.11 0.00 1.12 -1.65 0.00 0.00 177.43 177.33 3bpr h HIS 807 N 0.12 0.00 0.00 1.19 2.07 -2.03 -1.92 115.15 114.58 3bpr h HIS 807 Ca 0.31 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.83 3bpr h HIS 807 Cb 0.50 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.48 3bpr h HIS 807 CO -0.36 0.00 -0.43 0.39 -3.07 0.00 0.00 177.93 174.46 3bpr n GLU 808 N -2.68 0.06 -0.11 5.12 1.02 -0.80 -4.62 120.64 118.62 3bpr n GLU 808 Ca -0.01 0.02 -0.06 0.00 -0.02 0.00 0.00 57.16 57.09 3bpr n GLU 808 Cb 0.14 -1.54 0.02 0.00 -0.02 0.00 0.00 31.44 30.04 3bpr n GLU 808 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 3bpr h MET 809 N 0.00 0.29 -0.38 3.49 2.86 -1.37 -1.42 114.93 118.40 3bpr h MET 809 Ca 0.00 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3bpr h MET 809 Cb 0.55 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.12 3bpr h MET 809 CO 0.00 0.19 0.25 -0.92 1.06 0.00 0.00 176.91 177.49 3bpr h TYR 810 N 0.30 0.48 0.00 -0.22 -0.00 -1.82 -1.13 116.97 114.59 3bpr h TYR 810 Ca 0.17 0.01 -0.08 0.00 -0.00 0.00 0.00 58.73 58.83 3bpr h TYR 810 Cb 0.14 -0.16 -0.01 0.00 -0.00 0.00 0.00 36.73 36.70 3bpr h TYR 810 CO -0.14 0.31 -0.38 -0.44 -0.00 0.00 0.00 178.16 177.51 3bpr h ASP 811 N 0.51 0.00 -0.36 -2.11 5.19 -1.83 0.11 116.42 117.93 3bpr h ASP 811 Ca 0.14 0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 56.43 3bpr h ASP 811 Cb -0.05 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.45 3bpr h ASP 811 CO -0.03 0.38 -0.24 0.22 -3.12 0.00 0.00 179.24 176.45 3bpr h TYR 812 N 0.00 0.94 -0.12 4.55 3.20 -0.73 -2.93 116.97 121.88 3bpr h TYR 812 Ca -0.00 -0.25 -0.22 0.00 3.14 0.00 0.00 58.73 61.40 3bpr h TYR 812 Cb 0.96 -0.21 0.01 0.00 1.54 0.00 0.00 36.73 39.03 3bpr h TYR 812 CO 0.00 1.01 -0.79 -0.07 -1.64 0.00 0.00 178.16 176.68 3bpr h LEU 813 N 0.60 0.81 -1.56 2.82 3.38 -1.03 -2.95 115.31 117.38 3bpr h LEU 813 Ca 0.07 -0.54 0.10 0.00 0.09 0.00 0.00 57.88 57.60 3bpr h LEU 813 Cb 0.80 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 3bpr h LEU 813 CO 0.07 1.33 0.44 0.25 0.09 0.00 0.00 178.44 180.61 3bpr h LEU 814 N 0.46 0.44 -2.06 1.67 5.85 -0.69 0.49 115.31 121.46 3bpr h LEU 814 Ca -0.05 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.64 3bpr h LEU 814 Cb 1.40 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.33 3bpr h LEU 814 CO 0.15 0.26 0.05 1.41 -0.34 0.00 0.00 178.44 179.98 3bpr n HIS 815 N -4.48 0.79 -1.10 1.25 8.25 -1.12 -4.89 115.22 113.93 3bpr n HIS 815 Ca 0.11 -0.42 -0.03 0.00 -0.26 0.00 0.00 57.72 57.12 3bpr n HIS 815 Cb 0.37 -0.30 -0.01 0.00 1.12 0.00 0.00 29.99 31.17 3bpr n HIS 815 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3bpr n GLY 816 N 0.15 0.62 3.78 -1.41 0.00 0.17 -5.02 105.19 103.48 3bpr n GLY 816 Ca 0.12 -0.38 -0.38 0.00 0.00 0.00 0.00 46.02 45.37 3bpr n GLY 816 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3bpr s HIS 817 N -1.97 3.84 0.36 1.61 3.76 -1.12 -5.03 115.29 116.74 3bpr s HIS 817 Ca 0.00 1.69 0.04 0.00 -0.15 0.00 0.00 55.06 56.63 3bpr s HIS 817 Cb 0.00 -2.82 -0.05 0.00 1.11 0.00 0.00 32.58 30.82 3bpr s HIS 817 CO 0.00 0.41 0.08 1.03 -0.85 0.00 0.00 174.74 175.41 3bpr s ARG 818 N -1.48 1.77 0.33 1.40 1.81 -1.26 -4.36 118.95 117.15 3bpr s ARG 818 Ca 0.41 -2.03 -0.29 0.00 -1.72 0.00 0.00 55.73 52.10 3bpr s ARG 818 Cb -0.22 -0.80 -0.12 0.00 -0.45 0.00 0.00 34.95 33.37 3bpr s ARG 818 CO 0.26 -0.30 1.53 1.28 -0.68 0.00 0.00 175.30 177.39 3bpr n LEU 819 N -0.79 4.41 -4.86 2.53 4.77 -1.26 -4.98 117.00 116.82 3bpr n LEU 819 Ca -0.04 1.18 -0.31 0.00 -0.03 0.00 0.00 56.01 56.80 3bpr n LEU 819 Cb 0.66 -1.59 -0.01 0.00 -2.33 0.00 0.00 43.42 40.15 3bpr n LEU 819 CO 0.40 0.08 0.70 -0.54 -1.33 0.00 0.00 177.39 176.70 3bpr s LYS 820 N -1.18 3.74 0.10 3.23 1.02 -1.26 -5.00 119.74 120.39 3bpr s LYS 820 Ca 0.60 0.84 -0.31 0.00 0.02 0.00 0.00 55.97 57.12 3bpr s LYS 820 Cb -0.50 -2.10 -0.08 0.00 -0.52 0.00 0.00 37.83 34.63 3bpr s LYS 820 CO 0.55 -0.45 1.40 -1.14 -0.92 0.00 0.00 175.35 174.79 3bpr s GLN 821 N -4.70 4.31 1.00 1.68 0.74 -1.26 -5.02 119.66 116.42 3bpr s GLN 821 Ca 0.57 2.07 -0.11 0.00 0.05 0.00 0.00 55.36 57.93 3bpr s GLN 821 Cb -0.11 -3.31 0.19 0.00 1.10 0.00 0.00 33.01 30.88 3bpr s GLN 821 CO 0.44 -0.46 1.06 -2.30 -0.55 0.00 0.00 175.29 173.47 3bpr n PRO 822 N 4.21 -1.07 0.18 1.67 -0.02 -1.26 -4.98 135.00 133.73 3bpr n PRO 822 Ca 0.12 -0.26 -0.10 0.00 -2.02 0.00 0.00 63.50 61.24 3bpr n PRO 822 Cb 0.42 -2.28 -0.05 0.00 -0.02 0.00 0.00 33.50 31.57 3bpr n PRO 822 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3bpr h GLU 823 N -2.13 -0.54 -0.77 -0.52 4.57 -1.95 -3.12 114.58 110.12 3bpr h GLU 823 Ca -0.49 0.04 -0.51 0.00 -1.18 0.00 0.00 59.36 57.22 3bpr h GLU 823 Cb 1.29 0.12 -0.29 0.00 -0.16 0.00 0.00 28.75 29.71 3bpr h GLU 823 CO 0.43 -0.36 0.08 -3.47 -1.18 0.00 0.00 179.01 174.51 3bpr n ASP 824 N -3.90 5.23 -4.73 1.04 4.64 -1.26 -4.98 116.55 112.60 3bpr n ASP 824 Ca -0.07 -3.77 -0.41 0.00 -1.38 0.00 0.00 54.79 49.17 3bpr n ASP 824 Cb 0.24 -0.68 -0.04 0.00 -1.04 0.00 0.00 41.12 39.60 3bpr n ASP 824 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3bpr n LEU 826 N 3.24 3.62 -0.33 0.00 4.77 -1.26 -4.86 117.00 122.18 3bpr n LEU 826 Ca 0.01 1.12 0.15 0.00 -0.03 0.00 0.00 56.01 57.26 3bpr n LEU 826 Cb 0.50 -1.50 0.34 0.00 -2.33 0.00 0.00 43.42 40.44 3bpr n LEU 826 CO 0.49 -0.15 1.11 0.44 -1.33 0.00 0.00 177.39 177.95 3bpr h ASP 827 N 5.14 0.53 -0.36 -1.43 5.19 -1.98 0.10 116.42 123.60 3bpr h ASP 827 Ca -0.45 0.14 0.07 0.00 -0.62 0.00 0.00 57.03 56.17 3bpr h ASP 827 Cb 1.24 0.07 -0.07 0.00 0.18 0.00 0.00 39.33 40.76 3bpr h ASP 827 CO 0.83 0.07 -0.07 -0.33 -3.12 0.00 0.00 179.24 176.62 3bpr h GLU 828 N 0.51 0.03 -0.57 3.56 3.07 -1.99 0.51 114.58 119.70 3bpr h GLU 828 Ca 0.60 -0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 59.37 3bpr h GLU 828 Cb 1.13 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 29.01 3bpr h GLU 828 CO -0.49 0.02 0.02 1.25 -1.40 0.00 0.00 179.01 178.40 3bpr h LEU 829 N 0.03 0.95 -0.45 1.33 5.85 -1.40 -2.09 115.31 119.52 3bpr h LEU 829 Ca 0.18 -0.25 -0.10 0.00 0.84 0.00 0.00 57.88 58.55 3bpr h LEU 829 Cb 0.26 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 3bpr h LEU 829 CO -0.35 0.99 -0.09 0.22 -0.34 0.00 0.00 178.44 178.87 3bpr h TYR 830 N 0.90 0.95 -0.63 1.25 3.20 -0.36 -2.27 116.97 120.02 3bpr h TYR 830 Ca 0.17 -0.20 0.11 0.00 3.14 0.00 0.00 58.73 61.95 3bpr h TYR 830 Cb 0.51 -0.23 -0.08 0.00 1.54 0.00 0.00 36.73 38.46 3bpr h TYR 830 CO 0.03 0.95 0.19 0.93 -1.64 0.00 0.00 178.16 178.62 3bpr h GLU 831 N 0.68 0.33 -0.05 1.82 5.08 0.25 -0.98 114.58 121.71 3bpr h GLU 831 Ca 0.11 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3bpr h GLU 831 Cb 0.63 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 3bpr h GLU 831 CO 0.04 0.22 0.03 0.82 -1.00 0.00 0.00 179.01 179.12 3bpr h ILE 832 N 0.34 1.06 -0.18 3.13 2.04 -1.19 -0.72 117.51 121.99 3bpr h ILE 832 Ca 0.33 -0.18 -0.08 0.00 1.00 0.00 0.00 64.86 65.93 3bpr h ILE 832 Cb 0.47 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 3bpr h ILE 832 CO -0.37 0.05 -0.25 0.00 0.00 0.00 0.00 178.15 177.59 3bpr h MET 833 N 0.01 0.33 -0.41 2.37 -0.00 -1.06 -3.00 114.93 113.18 3bpr h MET 833 Ca 0.02 -0.11 -0.14 0.00 -0.00 0.00 0.00 59.70 59.47 3bpr h MET 833 Cb 0.06 -0.03 -0.01 0.00 -0.00 0.00 0.00 31.60 31.62 3bpr h MET 833 CO -0.00 0.56 -0.29 -0.92 -0.00 0.00 0.00 176.91 176.26 3bpr h TYR 834 N 0.30 1.05 -0.22 -0.10 3.20 -0.82 -2.13 116.97 118.24 3bpr h TYR 834 Ca 0.05 -0.28 0.07 0.00 3.14 0.00 0.00 58.73 61.71 3bpr h TYR 834 Cb 0.60 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.62 3bpr h TYR 834 CO 0.01 1.08 0.20 0.66 -1.64 0.00 0.00 178.16 178.47 3bpr h SER 835 N 0.76 0.00 0.64 -2.11 4.64 -0.99 0.02 113.55 116.52 3bpr h SER 835 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 3bpr h SER 835 Cb 0.86 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 3bpr h SER 835 CO 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.04 3bpr n TRP 837 N -2.71 0.27 -2.02 0.00 8.01 -0.01 -3.96 117.44 117.02 3bpr n TRP 837 Ca 0.00 -1.44 -0.37 0.00 -1.31 0.00 0.00 57.50 54.39 3bpr n TRP 837 Cb 0.21 -0.29 0.02 0.00 -2.01 0.00 0.00 31.31 29.24 3bpr n TRP 837 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.69 177.71 3bpr s ARG 838 N -3.18 3.25 0.13 -0.99 0.52 -1.20 -4.93 118.95 112.55 3bpr s ARG 838 Ca 0.39 1.93 -0.16 0.00 -0.52 0.00 0.00 55.73 57.36 3bpr s ARG 838 Cb 0.37 -2.16 -0.01 0.00 0.52 0.00 0.00 34.95 33.67 3bpr s ARG 838 CO -0.04 -1.01 1.70 1.15 0.02 0.00 0.00 175.30 177.12 3bpr h THR 839 N 1.33 1.18 -3.27 0.02 2.02 -1.96 -3.40 112.91 108.84 3bpr h THR 839 Ca -0.50 -0.53 -0.57 0.00 0.77 0.00 0.00 66.41 65.58 3bpr h THR 839 Cb 1.28 0.81 -0.05 0.00 -1.74 0.00 0.00 68.15 68.45 3bpr h THR 839 CO 0.57 0.20 0.49 -0.62 0.37 0.00 0.00 175.52 176.53 3bpr s ASP 840 N -5.79 7.12 0.40 4.18 2.15 -1.26 -4.88 116.67 118.59 3bpr s ASP 840 Ca -0.13 1.38 0.16 0.00 0.43 0.00 0.00 52.55 54.39 3bpr s ASP 840 Cb 0.10 -2.51 1.02 0.00 -0.30 0.00 0.00 42.92 41.23 3bpr s ASP 840 CO 0.75 -0.43 1.84 1.55 -0.17 0.00 0.00 175.17 178.71 3bpr h PRO 841 N 7.18 0.46 -0.03 4.34 0.13 -1.97 -2.01 132.00 140.10 3bpr h PRO 841 Ca -0.30 -0.03 -0.05 0.00 -0.87 0.00 0.00 66.00 64.75 3bpr h PRO 841 Cb 1.14 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.16 3bpr h PRO 841 CO 0.85 0.30 -0.22 -0.07 -0.23 0.00 0.00 178.00 178.63 3bpr h LEU 842 N 0.47 0.05 -0.61 1.56 3.38 -1.93 -2.53 115.31 115.69 3bpr h LEU 842 Ca 0.49 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 58.30 3bpr h LEU 842 Cb 1.14 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 3bpr h LEU 842 CO -0.21 0.27 -0.68 0.44 0.09 0.00 0.00 178.44 178.35 3bpr h ASP 843 N 0.04 0.10 -3.84 -0.43 3.45 -1.73 -3.45 116.42 110.56 3bpr h ASP 843 Ca 0.01 -0.07 -0.54 0.00 0.43 0.00 0.00 57.03 56.86 3bpr h ASP 843 Cb 0.42 -0.03 0.11 0.00 -0.56 0.00 0.00 39.33 39.27 3bpr h ASP 843 CO 0.03 0.75 0.75 0.54 -1.57 0.00 0.00 179.24 179.74 3bpr n ARG 844 N -3.77 2.62 -0.96 3.56 1.74 -0.96 -4.99 116.66 113.90 3bpr n ARG 844 Ca -0.02 0.92 -0.29 0.00 -0.77 0.00 0.00 57.85 57.69 3bpr n ARG 844 Cb 0.67 -2.64 0.18 0.00 -1.02 0.00 0.00 32.46 29.65 3bpr n ARG 844 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3bpr s PRO 845 N -2.06 0.39 0.54 5.56 0.04 -1.26 -5.05 135.00 133.15 3bpr s PRO 845 Ca 0.54 0.81 -0.03 0.00 0.04 0.00 0.00 61.00 62.35 3bpr s PRO 845 Cb -0.49 -1.71 0.00 0.00 0.04 0.00 0.00 34.50 32.35 3bpr s PRO 845 CO 0.63 -2.84 0.81 0.95 0.04 0.00 0.00 177.00 176.60 3bpr s THR 846 N -2.78 3.80 0.34 1.26 -4.23 -1.26 -4.94 115.64 107.82 3bpr s THR 846 Ca 0.66 -0.18 0.03 0.00 -1.18 0.00 0.00 61.69 61.01 3bpr s THR 846 Cb -0.21 -3.47 0.28 0.00 1.34 0.00 0.00 72.50 70.45 3bpr s THR 846 CO 0.59 -0.42 1.96 -0.26 -0.54 0.00 0.00 174.62 175.95 3bpr h PHE 847 N 0.05 0.87 0.00 3.99 0.04 -1.94 -0.44 116.94 119.51 3bpr h PHE 847 Ca -0.46 0.02 -0.11 0.00 2.80 0.00 0.00 57.97 60.23 3bpr h PHE 847 Cb 1.25 -0.29 -0.02 0.00 2.20 0.00 0.00 35.95 39.10 3bpr h PHE 847 CO 0.47 0.48 -0.51 0.66 -0.60 0.00 0.00 178.31 178.81 3bpr h SER 848 N 0.88 0.00 -0.37 2.17 4.64 -1.91 0.12 113.55 119.09 3bpr h SER 848 Ca 0.32 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.48 3bpr h SER 848 Cb 0.15 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 3bpr h SER 848 CO -0.10 0.51 -0.39 0.58 -0.87 0.00 0.00 176.83 176.56 3bpr h VAL 849 N 0.00 1.27 -0.05 0.95 2.07 -1.74 -3.16 116.25 115.59 3bpr h VAL 849 Ca -0.01 -1.57 -0.02 0.00 0.82 0.00 0.00 66.70 65.93 3bpr h VAL 849 Cb 1.09 1.39 -0.00 0.00 -1.52 0.00 0.00 31.29 32.24 3bpr h VAL 849 CO 0.07 0.52 -0.04 -0.07 0.02 0.00 0.00 177.57 178.07 3bpr h LEU 850 N 0.75 0.11 -0.75 2.57 3.38 -0.88 -3.09 115.31 117.41 3bpr h LEU 850 Ca 0.06 -0.47 0.13 0.00 0.09 0.00 0.00 57.88 57.69 3bpr h LEU 850 Cb 0.98 -0.03 -0.09 0.00 0.09 0.00 0.00 40.66 41.61 3bpr h LEU 850 CO 0.10 0.56 0.34 -0.09 0.09 0.00 0.00 178.44 179.43 3bpr h ARG 851 N -0.33 0.50 -0.08 1.13 1.12 -0.84 -1.13 114.38 114.76 3bpr h ARG 851 Ca 0.01 -0.03 -0.12 0.00 -1.11 0.00 0.00 59.98 58.73 3bpr h ARG 851 Cb 0.52 -0.11 -0.01 0.00 -0.01 0.00 0.00 29.97 30.35 3bpr h ARG 851 CO 0.01 0.33 -0.48 1.25 -3.11 0.00 0.00 179.97 177.97 3bpr h LEU 852 N 0.52 0.21 -0.70 3.80 5.85 -1.57 -1.77 115.31 121.65 3bpr h LEU 852 Ca 0.40 -0.10 -0.09 0.00 0.84 0.00 0.00 57.88 58.93 3bpr h LEU 852 Cb 0.55 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 3bpr h LEU 852 CO -0.35 0.66 0.01 1.56 -0.34 0.00 0.00 178.44 179.97 3bpr h GLN 853 N 0.16 1.01 -0.23 1.25 4.20 -1.14 -1.48 115.11 118.88 3bpr h GLN 853 Ca 0.01 -0.31 -0.20 0.00 0.06 0.00 0.00 58.65 58.21 3bpr h GLN 853 Cb 0.91 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.59 3bpr h GLN 853 CO 0.07 0.99 -0.64 -0.07 -0.67 0.00 0.00 178.83 178.51 3bpr h LEU 854 N 0.93 0.94 -0.59 1.46 3.38 -1.17 -1.83 115.31 118.42 3bpr h LEU 854 Ca 0.17 -0.55 -0.02 0.00 0.09 0.00 0.00 57.88 57.58 3bpr h LEU 854 Cb 0.53 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 3bpr h LEU 854 CO 0.03 1.34 0.31 -0.33 0.09 0.00 0.00 178.44 179.88 3bpr h GLU 855 N 0.60 0.84 -0.13 1.13 5.08 -1.20 -0.77 114.58 120.14 3bpr h GLU 855 Ca -0.01 -0.11 -0.14 0.00 -1.00 0.00 0.00 59.36 58.10 3bpr h GLU 855 Cb 1.25 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 3bpr h GLU 855 CO 0.14 0.65 -0.54 -0.22 -1.00 0.00 0.00 179.01 178.04 3bpr h LYS 856 N 0.80 0.37 -0.51 2.33 1.63 -1.22 -2.11 116.57 117.88 3bpr h LYS 856 Ca 0.21 -0.23 -0.07 0.00 -0.85 0.00 0.00 60.65 59.70 3bpr h LYS 856 Cb 0.07 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 31.71 3bpr h LYS 856 CO -0.03 0.82 0.03 1.25 -3.45 0.00 0.00 179.45 178.07 3bpr h LEU 857 N 0.29 0.85 -0.81 5.20 5.85 -1.13 -2.14 115.31 123.43 3bpr h LEU 857 Ca 0.01 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.43 3bpr h LEU 857 Cb 1.05 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.81 3bpr h LEU 857 CO 0.09 0.94 0.51 0.25 -0.34 0.00 0.00 178.44 179.89 3bpr h LEU 858 N 0.74 0.95 -0.83 2.25 5.85 -0.90 -0.89 115.31 122.49 3bpr h LEU 858 Ca 0.15 -0.05 0.08 0.00 0.84 0.00 0.00 57.88 58.90 3bpr h LEU 858 Cb 0.48 -0.24 -0.07 0.00 0.37 0.00 0.00 40.66 41.21 3bpr h LEU 858 CO 0.02 0.71 0.49 -0.33 -0.34 0.00 0.00 178.44 178.99 3bpr h GLU 859 N 1.10 0.82 0.00 1.25 5.08 -1.24 -2.92 114.58 118.67 3bpr h GLU 859 Ca 0.29 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.58 3bpr h GLU 859 Cb -0.08 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 28.98 3bpr h GLU 859 CO -0.06 0.54 -0.11 0.66 -1.00 0.00 0.00 179.01 179.05 3bpr h SER 860 N 0.84 0.00 -4.05 1.42 4.64 -0.48 -3.43 113.55 112.50 3bpr h SER 860 Ca 0.38 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 61.23 3bpr h SER 860 Cb 0.29 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.40 3bpr h SER 860 CO -0.22 0.11 0.39 -0.76 -0.87 0.00 0.00 176.83 175.48 3bpr s LEU 861 N -7.53 3.92 1.08 5.97 1.43 -1.11 -5.04 118.68 117.41 3bpr s LEU 861 Ca -0.03 1.94 -0.12 0.00 -1.03 0.00 0.00 54.13 54.89 3bpr s LEU 861 Cb 0.14 -4.47 0.23 0.00 0.03 0.00 0.00 46.19 42.12 3bpr s LEU 861 CO 0.59 -0.69 1.04 -2.65 0.23 0.00 0.00 176.35 174.87 3bpr n PRO 862 N -0.73 -1.71 0.00 1.29 -0.02 -1.26 -5.03 135.00 127.54 3bpr n PRO 862 Ca 0.08 -0.45 0.15 0.00 -2.02 0.00 0.00 63.50 61.26 3bpr n PRO 862 Cb 0.52 -2.23 0.78 0.00 -0.02 0.00 0.00 33.50 32.55 3bpr n PRO 862 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01