#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 -0.46 -5.23 3.52 -0.00 -2.06 -3.32 116.57 109.01 3bpr h LYS 576 Ca 0.00 0.03 -0.54 0.00 -0.00 0.00 0.00 60.65 60.14 3bpr h LYS 576 Cb 0.00 0.11 -0.04 0.00 -0.00 0.00 0.00 32.23 32.30 3bpr h LYS 576 CO 0.00 -0.31 1.89 1.47 -0.00 0.00 0.00 179.45 182.50 3bpr n LEU 577 N -3.34 4.28 0.00 7.07 -0.00 -1.26 -4.20 117.00 119.55 3bpr n LEU 577 Ca -0.06 -3.47 0.00 0.00 -0.00 0.00 0.00 56.01 52.48 3bpr n LEU 577 Cb 0.19 -1.62 0.00 0.00 -0.00 0.00 0.00 43.42 41.99 3bpr n LEU 577 CO 0.14 -0.61 -0.24 -0.62 -0.00 0.00 0.00 177.39 176.06 3bpr n GLU 578 N 7.82 3.02 0.16 1.47 -0.58 -1.25 -4.54 120.64 126.74 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 0.44 -0.70 0.39 0.00 -0.57 0.00 0.00 31.44 31.00 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 -0.79 1.62 3.04 -1.89 -3.00 116.42 115.40 3bpr h ASP 579 Ca 0.00 0.00 0.03 0.00 -3.24 0.00 0.00 57.03 53.82 3bpr h ASP 579 Cb 0.00 0.00 -0.04 0.00 -1.04 0.00 0.00 39.33 38.25 3bpr h ASP 579 CO 0.00 0.00 0.52 1.62 -2.04 0.00 0.00 179.24 179.34 3bpr h VAL 580 N 0.00 1.14 -3.55 4.15 3.04 -1.90 -3.42 116.25 115.71 3bpr h VAL 580 Ca 0.00 -0.34 -0.53 0.00 -1.01 0.00 0.00 66.70 64.82 3bpr h VAL 580 Cb 0.72 0.06 0.08 0.00 -2.01 0.00 0.00 31.29 30.14 3bpr h VAL 580 CO 0.00 0.18 0.79 -0.69 -1.01 0.00 0.00 177.57 176.84 3bpr s VAL 581 N -5.84 2.33 -0.06 1.51 1.01 -1.13 -2.05 120.40 116.17 3bpr s VAL 581 Ca -0.11 0.30 0.03 0.00 0.00 0.00 0.00 61.98 62.20 3bpr s VAL 581 Cb 0.18 -3.19 -0.03 0.00 0.00 0.00 0.00 36.38 33.35 3bpr s VAL 581 CO 0.79 0.06 -0.13 -0.63 0.00 0.00 0.00 175.10 175.18 3bpr s ILE 582 N -0.39 3.14 -0.08 2.22 1.01 0.64 -4.83 121.20 122.92 3bpr s ILE 582 Ca 0.58 -0.69 -0.29 0.00 0.00 0.00 0.00 60.65 60.25 3bpr s ILE 582 Cb -0.45 -2.24 -0.07 0.00 0.01 0.00 0.00 42.46 39.71 3bpr s ILE 582 CO 0.50 0.59 1.97 -0.62 0.00 0.00 0.00 174.94 177.38 3bpr s ASP 583 N -0.68 6.17 0.56 3.58 -1.08 -1.26 -4.55 116.67 119.40 3bpr s ASP 583 Ca 0.10 2.28 0.40 0.00 -0.52 0.00 0.00 52.55 54.81 3bpr s ASP 583 Cb -0.11 -2.53 1.56 0.00 -1.46 0.00 0.00 42.92 40.39 3bpr s ASP 583 CO 0.01 -1.33 1.70 -0.09 0.52 0.00 0.00 175.17 175.98 3bpr h ARG 584 N 11.82 0.00 0.00 4.34 9.65 -1.93 0.32 114.38 138.57 3bpr h ARG 584 Ca -0.44 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.44 3bpr h ARG 584 Cb 1.22 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.80 3bpr h ARG 584 CO 0.96 0.00 -0.43 0.27 2.80 0.00 0.00 179.97 183.57 3bpr n ASN 585 N -4.00 0.49 0.00 -3.80 6.94 -1.26 -2.44 115.26 111.19 3bpr n ASN 585 Ca 0.30 0.04 0.06 0.00 -0.02 0.00 0.00 54.58 54.96 3bpr n ASN 585 Cb 1.48 0.04 0.28 0.00 -2.36 0.00 0.00 39.78 39.21 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 -1.73 0.00 -4.26 -4.53 4.77 0.11 -4.77 117.00 106.58 3bpr n LEU 586 Ca 0.05 0.44 -0.32 0.00 -0.03 0.00 0.00 56.01 56.15 3bpr n LEU 586 Cb 0.37 -0.44 -0.16 0.00 -2.33 0.00 0.00 43.42 40.86 3bpr n LEU 586 CO 0.34 -0.26 -0.55 -0.22 -1.33 0.00 0.00 177.39 175.37 3bpr s LEU 587 N -2.88 2.14 -0.08 2.23 2.96 -1.02 -0.36 118.68 121.68 3bpr s LEU 587 Ca 0.08 -0.51 0.02 0.00 -0.22 0.00 0.00 54.13 53.50 3bpr s LEU 587 Cb 0.08 -1.41 0.01 0.00 0.50 0.00 0.00 46.19 45.37 3bpr s LEU 587 CO 0.21 0.21 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.68 3bpr s ILE 588 N 0.04 1.29 0.13 6.68 -1.09 0.02 -4.99 121.20 123.29 3bpr s ILE 588 Ca -0.09 -0.56 -0.01 0.00 -2.23 0.00 0.00 60.65 57.75 3bpr s ILE 588 Cb -0.15 -1.17 -0.05 0.00 -1.58 0.00 0.00 42.46 39.51 3bpr s ILE 588 CO 0.06 0.39 0.32 -0.76 -1.23 0.00 0.00 174.94 173.72 3bpr s LEU 589 N 0.68 4.29 0.00 2.97 1.43 -1.26 -0.14 118.68 126.65 3bpr s LEU 589 Ca -0.14 0.40 0.00 0.00 -1.03 0.00 0.00 54.13 53.36 3bpr s LEU 589 Cb -0.16 -3.12 0.00 0.00 0.03 0.00 0.00 46.19 42.94 3bpr s LEU 589 CO 0.04 0.06 0.00 0.61 0.23 0.00 0.00 176.35 177.29 3bpr n GLY 590 N -0.12 5.18 3.73 -3.19 0.00 0.39 -4.91 105.19 106.26 3bpr n GLY 590 Ca -0.04 -1.63 -0.33 0.00 0.00 0.00 0.00 46.02 44.02 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 3.39 2.09 0.23 1.61 3.01 -1.26 -4.66 119.74 124.15 3bpr s LYS 591 Ca 0.00 1.59 -0.30 0.00 -1.01 0.00 0.00 55.97 56.25 3bpr s LYS 591 Cb 0.00 -1.84 -0.09 0.00 -1.01 0.00 0.00 37.83 34.89 3bpr s LYS 591 CO 0.00 -1.84 0.98 0.42 0.51 0.00 0.00 175.35 175.42 3bpr s ILE 592 N -2.26 4.01 -0.93 2.17 1.01 -1.26 -2.33 121.20 121.61 3bpr s ILE 592 Ca 0.70 1.96 0.14 0.00 0.00 0.00 0.00 60.65 63.45 3bpr s ILE 592 Cb -0.25 -4.25 -0.08 0.00 0.01 0.00 0.00 42.46 37.89 3bpr s ILE 592 CO 0.48 0.44 0.67 0.18 0.00 0.00 0.00 174.94 176.71 3bpr n LEU 593 N 1.63 1.02 0.00 2.97 4.77 0.53 -4.93 117.00 122.99 3bpr n LEU 593 Ca -0.01 -0.62 0.00 0.00 -0.03 0.00 0.00 56.01 55.35 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 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.40 3bpr n GLY 594 N 1.21 2.37 2.64 -0.72 0.00 -1.15 -4.96 105.19 104.57 3bpr n GLY 594 Ca 0.04 -0.61 -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 0.21 0.47 1.61 2.02 -1.26 -0.81 118.70 118.94 3bpr s GLU 595 Ca 0.00 -0.17 0.05 0.00 0.02 0.00 0.00 54.97 54.87 3bpr s GLU 595 Cb 0.00 -1.90 0.02 0.00 0.10 0.00 0.00 34.13 32.34 3bpr s GLU 595 CO 0.00 -0.66 0.65 0.20 0.02 0.00 0.00 175.26 175.47 3bpr s GLY 596 N 2.07 1.85 0.30 -1.39 0.00 -1.13 -5.02 107.32 104.00 3bpr s GLY 596 Ca 0.01 -1.47 0.06 0.00 0.00 0.00 0.00 44.72 43.31 3bpr s GLY 596 CO -0.09 -1.26 1.74 0.83 0.00 0.00 0.00 173.10 174.32 3bpr h GLU 597 N 0.41 0.57 0.00 2.90 4.39 -2.03 -3.17 114.58 117.64 3bpr h GLU 597 Ca -0.42 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.25 3bpr h GLU 597 Cb 1.28 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.80 3bpr h GLU 597 CO 0.49 0.38 0.00 1.97 -1.16 0.00 0.00 179.01 180.69 3bpr n PHE 598 N -4.89 0.00 -0.30 4.33 1.16 -1.26 -5.02 117.46 111.47 3bpr n PHE 598 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.81 3bpr n PHE 598 Cb 0.63 -0.03 0.00 0.00 -1.61 0.00 0.00 39.48 38.47 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 -0.54 5.47 3.19 4.97 0.00 -1.20 -4.79 105.19 112.29 3bpr n GLY 599 Ca 0.00 -1.22 -0.13 0.00 0.00 0.00 0.00 46.02 44.67 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 -0.33 -0.15 1.61 1.04 -1.18 -2.82 113.70 112.86 3bpr s SER 600 Ca 0.00 0.63 -0.10 0.00 0.48 0.00 0.00 55.95 56.97 3bpr s SER 600 Cb 0.00 0.62 -0.05 0.00 0.10 0.00 0.00 66.02 66.69 3bpr s SER 600 CO 0.00 -0.12 0.18 0.54 0.98 0.00 0.00 173.24 174.81 3bpr s VAL 601 N 0.38 5.41 0.08 5.02 0.11 0.01 -2.32 120.40 129.08 3bpr s VAL 601 Ca -0.02 0.29 0.07 0.00 -2.93 0.00 0.00 61.98 59.39 3bpr s VAL 601 Cb -0.04 -3.49 -0.03 0.00 -1.53 0.00 0.00 36.38 31.30 3bpr s VAL 601 CO -0.02 0.50 -0.18 -0.04 -3.33 0.00 0.00 175.10 172.04 3bpr s MET 602 N -0.18 1.01 0.45 1.54 -1.94 -0.05 -0.35 119.30 119.77 3bpr s MET 602 Ca 0.13 -1.01 -0.21 0.00 -1.71 0.00 0.00 55.69 52.89 3bpr s MET 602 Cb -0.12 -1.14 -0.10 0.00 2.01 0.00 0.00 34.83 35.48 3bpr s MET 602 CO 0.02 0.27 0.98 -1.83 -0.01 0.00 0.00 175.02 174.45 3bpr s GLU 603 N -1.67 4.08 0.23 2.03 -1.05 -0.98 0.52 118.70 121.86 3bpr s GLU 603 Ca 0.03 1.22 -0.21 0.00 -0.15 0.00 0.00 54.97 55.86 3bpr s GLU 603 Cb -0.10 -2.17 0.07 0.00 -0.44 0.00 0.00 34.13 31.50 3bpr s GLU 603 CO 0.03 -0.17 0.98 0.20 0.95 0.00 0.00 175.26 177.24 3bpr s GLY 604 N -2.08 0.15 -0.08 -3.83 0.00 -0.74 0.15 107.32 100.89 3bpr s GLY 604 Ca 0.64 -0.41 0.04 0.00 0.00 0.00 0.00 44.72 44.99 3bpr s GLY 604 CO 0.16 1.67 -0.22 -1.31 0.00 0.00 0.00 173.10 173.40 3bpr s ASN 605 N -3.30 3.30 -0.16 1.64 -0.87 0.81 -1.57 114.94 114.77 3bpr s ASN 605 Ca 0.20 -0.47 -0.03 0.00 -1.57 0.00 0.00 52.86 50.99 3bpr s ASN 605 Cb -0.03 -1.14 -0.02 0.00 -0.02 0.00 0.00 41.25 40.04 3bpr s ASN 605 CO 0.07 0.21 -0.06 -0.22 -2.57 0.00 0.00 177.10 174.53 3bpr s LEU 606 N 0.03 3.03 0.10 0.60 2.96 -0.61 -0.80 118.68 123.99 3bpr s LEU 606 Ca -0.08 -0.24 -0.21 0.00 -0.22 0.00 0.00 54.13 53.38 3bpr s LEU 606 Cb -0.15 -1.73 -0.07 0.00 0.50 0.00 0.00 46.19 44.74 3bpr s LEU 606 CO 0.05 0.12 0.63 -1.59 -1.32 0.00 0.00 176.35 174.25 3bpr s LYS 607 N 0.62 4.31 0.29 1.98 -2.85 0.52 -0.77 119.74 123.84 3bpr s LYS 607 Ca -0.04 0.86 0.01 0.00 -1.00 0.00 0.00 55.97 55.80 3bpr s LYS 607 Cb -0.15 -3.25 0.01 0.00 -2.06 0.00 0.00 37.83 32.38 3bpr s LYS 607 CO 0.03 0.60 0.08 1.04 0.10 0.00 0.00 175.35 177.20 3bpr n GLN 608 N 1.74 1.21 -0.01 1.78 6.02 -0.80 -4.92 117.38 122.41 3bpr n GLN 608 Ca -0.09 -2.03 -0.11 0.00 -0.01 0.00 0.00 57.00 54.76 3bpr n GLN 608 Cb 0.50 0.43 -0.06 0.00 1.02 0.00 0.00 30.24 32.13 3bpr n GLN 608 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 3bpr h GLU 609 N 0.00 0.13 -1.33 -1.09 3.07 -1.98 -2.93 114.58 110.45 3bpr h GLU 609 Ca -0.22 -0.02 0.43 0.00 -0.50 0.00 0.00 59.36 59.05 3bpr h GLU 609 Cb 0.72 -0.02 -0.10 0.00 -0.84 0.00 0.00 28.75 28.50 3bpr h GLU 609 CO 0.36 0.20 0.90 -0.25 -1.40 0.00 0.00 179.01 178.82 3bpr n ASP 610 N -4.96 0.12 0.00 1.42 8.00 -1.26 -4.80 116.55 115.07 3bpr n ASP 610 Ca -0.06 1.07 0.00 0.00 0.71 0.00 0.00 54.79 56.51 3bpr n ASP 610 Cb 0.09 -0.53 0.00 0.00 -0.02 0.00 0.00 41.12 40.66 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 -1.55 2.82 3.76 0.44 0.00 -1.11 -5.06 105.19 104.50 3bpr n GLY 611 Ca 0.35 -0.08 -0.32 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.98 3.21 0.11 2.61 -4.23 -1.26 -4.60 115.64 109.49 3bpr s THR 612 Ca 0.00 0.45 0.04 0.00 -1.18 0.00 0.00 61.69 60.99 3bpr s THR 612 Cb 0.00 -2.92 -0.04 0.00 1.34 0.00 0.00 72.50 70.88 3bpr s THR 612 CO 0.00 -0.46 0.08 -0.44 -0.54 0.00 0.00 174.62 173.26 3bpr s SER 613 N -3.08 5.44 -0.03 3.99 0.01 -1.26 -1.90 113.70 116.87 3bpr s SER 613 Ca 0.64 -0.08 0.06 0.00 1.31 0.00 0.00 55.95 57.88 3bpr s SER 613 Cb -0.19 -1.42 -0.01 0.00 0.21 0.00 0.00 66.02 64.61 3bpr s SER 613 CO 0.51 0.14 -0.21 -0.22 0.41 0.00 0.00 173.24 173.88 3bpr s LEU 614 N -2.60 2.01 0.08 2.44 2.96 0.05 -4.94 118.68 118.69 3bpr s LEU 614 Ca 0.29 -0.40 -0.31 0.00 -0.22 0.00 0.00 54.13 53.50 3bpr s LEU 614 Cb -0.11 -1.11 -0.06 0.00 0.50 0.00 0.00 46.19 45.40 3bpr s LEU 614 CO 0.22 0.23 1.22 -0.75 -1.32 0.00 0.00 176.35 175.94 3bpr s LYS 615 N -0.29 4.43 0.16 1.98 2.47 -1.26 -1.57 119.74 125.66 3bpr s LYS 615 Ca 0.03 1.81 0.02 0.00 -1.56 0.00 0.00 55.97 56.27 3bpr s LYS 615 Cb -0.10 -3.32 -0.05 0.00 -1.46 0.00 0.00 37.83 32.90 3bpr s LYS 615 CO 0.01 -0.25 -0.02 0.14 0.16 0.00 0.00 175.35 175.39 3bpr s VAL 616 N 0.91 0.74 -0.07 4.02 -7.23 -0.61 -1.97 120.40 116.19 3bpr s VAL 616 Ca 0.58 -1.98 0.04 0.00 -1.81 0.00 0.00 61.98 58.81 3bpr s VAL 616 Cb -0.31 -2.05 -0.02 0.00 0.56 0.00 0.00 36.38 34.57 3bpr s VAL 616 CO 0.30 -0.55 -0.18 0.00 -0.31 0.00 0.00 175.10 174.37 3bpr s ALA 617 N -3.61 2.49 -0.24 1.32 0.00 0.32 -1.79 121.76 120.25 3bpr s ALA 617 Ca 0.22 -0.99 0.01 0.00 0.00 0.00 0.00 51.96 51.20 3bpr s ALA 617 Cb 0.06 -0.91 0.04 0.00 0.00 0.00 0.00 23.12 22.30 3bpr s ALA 617 CO 0.03 0.46 -0.11 0.08 0.00 0.00 0.00 175.76 176.21 3bpr s VAL 618 N -0.37 2.40 -0.20 0.00 1.01 0.19 -1.17 120.40 122.26 3bpr s VAL 618 Ca 0.03 -1.26 -0.13 0.00 0.00 0.00 0.00 61.98 60.63 3bpr s VAL 618 Cb -0.12 -2.25 -0.05 0.00 0.00 0.00 0.00 36.38 33.96 3bpr s VAL 618 CO 0.02 0.18 0.25 -0.54 0.00 0.00 0.00 175.10 175.01 3bpr s LYS 619 N 1.23 4.17 -0.04 2.72 1.02 -0.76 -0.88 119.74 127.20 3bpr s LYS 619 Ca -0.02 -0.05 0.03 0.00 0.02 0.00 0.00 55.97 55.94 3bpr s LYS 619 Cb -0.17 -3.49 -0.03 0.00 -0.52 0.00 0.00 37.83 33.62 3bpr s LYS 619 CO -0.07 0.13 -0.10 0.95 -0.92 0.00 0.00 175.35 175.35 3bpr s THR 620 N 0.82 3.46 0.00 2.17 -4.23 -0.98 -1.16 115.64 115.72 3bpr s THR 620 Ca 0.13 -0.67 0.00 0.00 -1.18 0.00 0.00 61.69 59.97 3bpr s THR 620 Cb -0.13 -2.43 0.00 0.00 1.34 0.00 0.00 72.50 71.28 3bpr s THR 620 CO 0.04 0.53 0.00 1.15 -0.54 0.00 0.00 174.62 175.80 3bpr n MET 621 N 2.03 0.00 -4.25 3.99 0.00 -1.15 -3.10 117.12 114.64 3bpr n MET 621 Ca -0.17 0.00 -0.14 0.00 0.00 0.00 0.00 57.70 57.39 3bpr n MET 621 Cb 0.53 0.00 -0.10 0.00 0.00 0.00 0.00 33.22 33.64 3bpr n MET 621 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 3bpr s LYS 622 N -1.84 1.26 -0.25 3.17 1.02 -1.26 -4.39 119.74 117.45 3bpr s LYS 622 Ca 0.00 -1.66 0.23 0.00 0.02 0.00 0.00 55.97 54.55 3bpr s LYS 622 Cb 0.00 -0.00 0.50 0.00 -0.52 0.00 0.00 37.83 37.81 3bpr s LYS 622 CO 0.00 -0.32 1.13 0.54 -0.92 0.00 0.00 175.35 175.78 3bpr n ARG 629 N -0.34 1.64 -2.28 1.68 5.12 -1.26 -5.14 116.66 116.09 3bpr n ARG 629 Ca -0.00 -3.36 -0.39 0.00 -1.93 0.00 0.00 57.85 52.17 3bpr n ARG 629 Cb 0.66 -1.46 -0.03 0.00 -1.16 0.00 0.00 32.46 30.46 3bpr n ARG 629 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 3bpr s GLU 630 N -3.50 2.90 -0.20 5.56 -6.30 -1.26 -4.81 118.70 111.10 3bpr s GLU 630 Ca 0.27 0.15 0.10 0.00 -2.50 0.00 0.00 54.97 52.99 3bpr s GLU 630 Cb 0.33 -4.35 -0.19 0.00 0.00 0.00 0.00 34.13 29.91 3bpr s GLU 630 CO -0.05 -2.49 -0.04 -0.89 0.02 0.00 0.00 175.26 171.81 3bpr n ILE 631 N 6.87 1.26 -0.37 -3.70 -0.00 -1.26 -4.47 119.36 117.69 3bpr n ILE 631 Ca 0.14 -0.66 0.02 0.00 -0.00 0.00 0.00 62.75 62.25 3bpr n ILE 631 Cb 0.51 -0.82 0.08 0.00 -0.00 0.00 0.00 39.64 39.40 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 -2.85 -0.17 -0.32 0.38 1.02 -1.26 -0.40 120.64 117.03 3bpr n GLU 632 Ca -0.33 1.53 0.07 0.00 -0.02 0.00 0.00 57.16 58.41 3bpr n GLU 632 Cb 1.02 -2.28 0.17 0.00 -0.02 0.00 0.00 31.44 30.34 3bpr n GLU 632 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 3bpr h GLU 633 N 0.00 0.02 -0.51 3.49 9.09 -2.00 0.19 114.58 124.86 3bpr h GLU 633 Ca 0.40 -0.00 0.06 0.00 0.05 0.00 0.00 59.36 59.87 3bpr h GLU 633 Cb 0.65 -0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 27.69 3bpr h GLU 633 CO -1.00 0.01 0.22 0.35 0.05 0.00 0.00 179.01 178.64 3bpr h PHE 634 N 0.02 0.40 -0.88 2.06 3.57 -0.99 -2.88 116.94 118.24 3bpr h PHE 634 Ca 0.48 0.02 0.08 0.00 3.53 0.00 0.00 57.97 62.08 3bpr h PHE 634 Cb 0.84 -0.10 -0.06 0.00 2.79 0.00 0.00 35.95 39.41 3bpr h PHE 634 CO -0.61 0.16 0.57 -0.07 -2.23 0.00 0.00 178.31 176.13 3bpr h LEU 635 N 0.43 0.83 -1.00 0.59 -0.00 -0.49 -2.17 115.31 113.50 3bpr h LEU 635 Ca 0.23 0.01 -0.04 0.00 -0.00 0.00 0.00 57.88 58.09 3bpr h LEU 635 Cb 0.20 -0.16 -0.03 0.00 -0.00 0.00 0.00 40.66 40.67 3bpr h LEU 635 CO -0.20 0.52 0.25 0.28 -0.00 0.00 0.00 178.44 179.29 3bpr h SER 636 N 0.94 0.89 0.08 -0.43 0.02 -1.27 -0.75 113.55 113.03 3bpr h SER 636 Ca 0.39 -0.13 0.02 0.00 -0.84 0.00 0.00 61.79 61.23 3bpr h SER 636 Cb 0.29 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.57 3bpr h SER 636 CO -0.15 0.80 -0.22 -0.33 -1.14 0.00 0.00 176.83 175.79 3bpr h GLU 637 N 0.95 -0.38 -0.56 3.45 5.08 -1.37 0.14 114.58 121.88 3bpr h GLU 637 Ca 0.22 0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.63 3bpr h GLU 637 Cb 0.20 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 3bpr h GLU 637 CO -0.02 -0.25 0.37 0.00 -1.00 0.00 0.00 179.01 178.11 3bpr h ALA 638 N 0.41 1.67 -0.27 3.43 0.00 -1.30 0.14 119.26 123.33 3bpr h ALA 638 Ca 0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3bpr h ALA 638 Cb 0.44 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3bpr h ALA 638 CO -0.15 0.28 0.13 0.00 0.00 0.00 0.00 179.25 179.52 3bpr h ALA 639 N 1.66 0.35 0.41 0.00 0.00 -0.39 0.46 119.26 121.76 3bpr h ALA 639 Ca 0.22 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3bpr h ALA 639 Cb 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3bpr h ALA 639 CO -0.05 -0.09 -0.21 0.00 0.00 0.00 0.00 179.25 178.89 3bpr h MET 641 N -0.57 0.02 -0.47 0.00 2.86 -0.76 1.01 114.93 117.02 3bpr h MET 641 Ca -0.06 -0.00 0.14 0.00 -2.06 0.00 0.00 59.70 57.72 3bpr h MET 641 Cb 0.44 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.08 3bpr h MET 641 CO 0.08 0.01 0.41 -0.22 1.06 0.00 0.00 176.91 178.26 3bpr h LYS 642 N 0.02 0.00 0.00 1.72 3.64 -0.77 0.21 116.57 121.38 3bpr h LYS 642 Ca 0.62 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.95 3bpr h LYS 642 Cb 1.33 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.14 3bpr h LYS 642 CO -0.89 0.00 -0.26 -0.44 -2.27 0.00 0.00 179.45 175.59 3bpr h ASP 643 N 0.00 0.00 -2.37 4.20 5.19 0.11 -3.46 116.42 120.10 3bpr h ASP 643 Ca 0.22 0.00 -0.56 0.00 -0.62 0.00 0.00 57.03 56.07 3bpr h ASP 643 Cb 1.04 0.00 0.05 0.00 0.18 0.00 0.00 39.33 40.60 3bpr h ASP 643 CO -0.00 0.26 0.89 0.49 -3.12 0.00 0.00 179.24 177.76 3bpr n PHE 644 N -3.34 2.43 -3.48 4.55 3.72 0.72 -4.97 117.46 117.09 3bpr n PHE 644 Ca 0.01 0.16 -0.22 0.00 -0.05 0.00 0.00 57.45 57.34 3bpr n PHE 644 Cb 0.49 -2.60 -0.12 0.00 -0.94 0.00 0.00 39.48 36.31 3bpr n PHE 644 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3bpr s SER 645 N 1.30 2.44 -0.28 4.37 0.15 -1.26 -4.80 113.70 115.62 3bpr s SER 645 Ca 0.79 -0.92 -0.22 0.00 0.70 0.00 0.00 55.95 56.30 3bpr s SER 645 Cb -0.62 0.11 0.10 0.00 -1.71 0.00 0.00 66.02 63.90 3bpr s SER 645 CO 0.37 -0.40 0.85 -2.28 1.20 0.00 0.00 173.24 172.98 3bpr s HIS 646 N 2.24 -0.71 -0.03 3.44 5.04 -1.26 -5.04 115.29 118.97 3bpr s HIS 646 Ca 0.09 1.61 0.29 0.00 -1.54 0.00 0.00 55.06 55.51 3bpr s HIS 646 Cb -0.15 0.38 1.44 0.00 0.04 0.00 0.00 32.58 34.29 3bpr s HIS 646 CO -0.32 -0.35 1.89 -1.00 -2.34 0.00 0.00 174.74 172.63 3bpr h PRO 647 N 5.26 0.00 -0.48 2.88 0.13 -1.99 -1.59 132.00 136.21 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 0.11 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 177.97 3bpr n ASN 648 N -2.59 4.03 -3.97 1.44 4.13 -1.26 -4.71 115.26 112.34 3bpr n ASN 648 Ca -0.00 -2.43 -0.21 0.00 1.68 0.00 0.00 54.58 53.62 3bpr n ASN 648 Cb 0.14 -0.47 -0.16 0.00 -1.54 0.00 0.00 39.78 37.75 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 -1.79 0.73 0.51 2.41 1.01 -0.60 -1.71 120.40 120.97 3bpr s VAL 649 Ca 0.41 -0.29 -0.22 0.00 0.00 0.00 0.00 61.98 61.88 3bpr s VAL 649 Cb 0.27 -0.68 -0.06 0.00 0.00 0.00 0.00 36.38 35.91 3bpr s VAL 649 CO 0.19 0.25 1.30 -0.51 0.00 0.00 0.00 175.10 176.32 3bpr s ILE 650 N 0.48 2.43 -0.33 2.22 2.07 -0.47 -4.45 121.20 123.16 3bpr s ILE 650 Ca -0.07 0.33 -0.10 0.00 -1.41 0.00 0.00 60.65 59.40 3bpr s ILE 650 Cb -0.11 -3.17 -0.00 0.00 0.13 0.00 0.00 42.46 39.31 3bpr s ILE 650 CO 0.01 -0.00 0.17 0.00 -1.91 0.00 0.00 174.94 173.21 3bpr s ARG 651 N -2.80 3.24 0.09 3.50 1.04 -1.26 -4.94 118.95 117.82 3bpr s ARG 651 Ca 0.68 -0.79 -0.31 0.00 -1.04 0.00 0.00 55.73 54.27 3bpr s ARG 651 Cb -0.37 -3.61 -0.07 0.00 -2.04 0.00 0.00 34.95 28.86 3bpr s ARG 651 CO 0.44 -0.48 1.37 -1.17 -0.04 0.00 0.00 175.30 175.42 3bpr s LEU 652 N 1.61 4.36 0.15 -1.89 0.20 -1.26 -4.36 118.68 117.48 3bpr s LEU 652 Ca 0.04 2.25 0.20 0.00 0.69 0.00 0.00 54.13 57.31 3bpr s LEU 652 Cb -0.18 -3.58 -0.05 0.00 -0.43 0.00 0.00 46.19 41.95 3bpr s LEU 652 CO 0.07 -0.64 0.96 -0.07 -0.29 0.00 0.00 176.35 176.37 3bpr h LEU 653 N 7.08 0.00 0.00 -0.68 3.38 -1.07 -3.40 115.31 120.62 3bpr h LEU 653 Ca -0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.56 3bpr h LEU 653 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 3bpr h LEU 653 CO 0.86 0.26 0.00 0.61 0.09 0.00 0.00 178.44 180.26 3bpr n GLY 654 N 1.27 -0.93 3.22 0.83 0.00 -1.23 -4.99 105.19 103.35 3bpr n GLY 654 Ca -0.04 -1.64 -0.21 0.00 0.00 0.00 0.00 46.02 44.13 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 -1.55 1.38 0.23 1.61 -7.23 -0.87 -0.36 120.40 113.61 3bpr s VAL 655 Ca 0.00 -1.37 0.10 0.00 -1.81 0.00 0.00 61.98 58.90 3bpr s VAL 655 Cb 0.00 -1.28 -0.05 0.00 0.56 0.00 0.00 36.38 35.62 3bpr s VAL 655 CO 0.00 -0.12 -0.14 0.00 -0.31 0.00 0.00 175.10 174.53 3bpr s ILE 657 N -2.08 0.24 -0.36 0.00 1.01 -1.26 -0.10 121.20 118.65 3bpr s ILE 657 Ca 0.27 -0.11 -0.18 0.00 0.00 0.00 0.00 60.65 60.63 3bpr s ILE 657 Cb -0.07 -0.64 -0.00 0.00 0.01 0.00 0.00 42.46 41.76 3bpr s ILE 657 CO 0.15 -0.02 0.52 -1.61 0.00 0.00 0.00 174.94 173.98 3bpr s GLU 658 N 2.00 3.57 0.22 2.79 2.02 -1.26 -4.93 118.70 123.11 3bpr s GLU 658 Ca 0.02 -0.21 -0.32 0.00 0.02 0.00 0.00 54.97 54.49 3bpr s GLU 658 Cb -0.15 -3.83 -0.14 0.00 0.10 0.00 0.00 34.13 30.12 3bpr s GLU 658 CO -0.07 -0.68 1.43 -1.33 0.02 0.00 0.00 175.26 174.63 3bpr n MET 659 N 5.77 2.00 -1.65 1.61 2.81 -1.26 -4.47 117.12 121.93 3bpr n MET 659 Ca -0.05 0.71 -0.29 0.00 -1.81 0.00 0.00 57.70 56.26 3bpr n MET 659 Cb 0.49 -2.38 -0.04 0.00 -0.71 0.00 0.00 33.22 30.57 3bpr n MET 659 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 3bpr s SER 660 N 0.39 4.41 0.00 7.83 0.15 -1.26 -5.10 113.70 120.12 3bpr s SER 660 Ca 0.71 0.60 0.24 0.00 0.70 0.00 0.00 55.95 58.20 3bpr s SER 660 Cb -0.67 -2.52 1.26 0.00 -1.71 0.00 0.00 66.02 62.38 3bpr s SER 660 CO 0.48 -3.11 1.80 -1.54 1.20 0.00 0.00 173.24 172.07 3bpr n SER 661 N 16.25 0.00 -3.52 5.45 3.41 -1.26 -5.34 113.62 128.60 3bpr n SER 661 Ca 0.38 -0.18 -0.00 0.00 -0.26 0.00 0.00 58.87 58.80 3bpr n SER 661 Cb 0.51 -0.24 -0.04 0.00 -0.26 0.00 0.00 64.21 64.18 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 -2.47 0.42 -0.07 4.33 0.04 -1.26 -5.33 135.00 130.67 3bpr s PRO 667 Ca 0.25 0.99 0.01 0.00 0.04 0.00 0.00 61.00 62.29 3bpr s PRO 667 Cb 0.16 0.53 0.02 0.00 0.04 0.00 0.00 34.50 35.25 3bpr s PRO 667 CO 0.35 -0.13 -0.06 -1.64 0.04 0.00 0.00 177.00 175.56 3bpr s MET 668 N 2.43 1.07 0.25 4.56 -1.94 0.85 -2.91 119.30 123.62 3bpr s MET 668 Ca -0.05 -0.15 -0.20 0.00 -1.71 0.00 0.00 55.69 53.58 3bpr s MET 668 Cb -0.08 -1.11 -0.09 0.00 2.01 0.00 0.00 34.83 35.57 3bpr s MET 668 CO -0.18 -0.14 0.77 0.14 -0.01 0.00 0.00 175.02 175.60 3bpr s VAL 669 N 1.22 4.51 -0.19 -6.03 -7.23 -0.31 -0.18 120.40 112.20 3bpr s VAL 669 Ca -0.06 1.35 -0.02 0.00 -1.81 0.00 0.00 61.98 61.44 3bpr s VAL 669 Cb -0.14 -3.86 -0.01 0.00 0.56 0.00 0.00 36.38 32.94 3bpr s VAL 669 CO -0.02 0.15 -0.09 -0.63 -0.31 0.00 0.00 175.10 174.20 3bpr s ILE 670 N -1.60 3.12 0.08 -0.62 -1.09 0.52 -1.84 121.20 119.77 3bpr s ILE 670 Ca 0.46 -0.59 0.04 0.00 -2.23 0.00 0.00 60.65 58.32 3bpr s ILE 670 Cb -0.16 -2.38 -0.03 0.00 -1.58 0.00 0.00 42.46 38.31 3bpr s ILE 670 CO 0.21 0.47 -0.11 -0.76 -1.23 0.00 0.00 174.94 173.51 3bpr s LEU 671 N 1.16 2.34 0.35 2.97 1.43 -0.32 -0.35 118.68 126.26 3bpr s LEU 671 Ca 0.02 -0.70 -0.28 0.00 -1.03 0.00 0.00 54.13 52.13 3bpr s LEU 671 Cb -0.14 -0.36 -0.12 0.00 0.03 0.00 0.00 46.19 45.60 3bpr s LEU 671 CO -0.02 -0.19 1.35 -0.81 0.23 0.00 0.00 176.35 176.91 3bpr n PRO 672 N 0.95 2.28 -2.47 1.29 -0.04 -1.26 0.12 135.00 135.86 3bpr n PRO 672 Ca -0.19 0.80 -0.41 0.00 -0.04 0.00 0.00 63.50 63.66 3bpr n PRO 672 Cb 0.56 -2.42 -0.04 0.00 -0.04 0.00 0.00 33.50 31.56 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 -1.08 3.54 -0.32 0.54 5.36 -0.83 -4.22 117.98 120.97 3bpr s PHE 673 Ca 0.55 1.56 -0.01 0.00 -0.96 0.00 0.00 56.93 58.07 3bpr s PHE 673 Cb -0.54 -3.32 0.06 0.00 -0.34 0.00 0.00 43.02 38.88 3bpr s PHE 673 CO 0.62 -0.77 0.03 -1.64 -1.46 0.00 0.00 175.22 172.01 3bpr s MET 674 N -0.45 2.27 0.41 10.12 -1.94 -1.26 -4.91 119.30 123.55 3bpr s MET 674 Ca 0.50 -1.41 0.15 0.00 -1.71 0.00 0.00 55.69 53.21 3bpr s MET 674 Cb -0.31 -3.24 0.90 0.00 2.01 0.00 0.00 34.83 34.19 3bpr s MET 674 CO 0.36 -0.72 1.91 1.57 -0.01 0.00 0.00 175.02 178.13 3bpr h LYS 675 N 7.97 0.00 0.00 2.03 2.10 -1.93 -1.99 116.57 124.74 3bpr h LYS 675 Ca -0.18 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.47 3bpr h LYS 675 Cb 1.05 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.38 3bpr h LYS 675 CO 0.56 0.28 0.00 0.66 -2.00 0.00 0.00 179.45 178.94 3bpr n TYR 676 N -4.12 0.43 -4.11 0.07 4.01 -1.26 -5.02 117.16 107.16 3bpr n TYR 676 Ca -0.02 0.14 0.00 0.00 -0.16 0.00 0.00 57.90 57.86 3bpr n TYR 676 Cb 0.33 -0.72 0.00 0.00 -0.31 0.00 0.00 39.34 38.64 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 1.01 -0.98 3.86 2.72 0.00 -0.75 -4.80 105.19 106.24 3bpr n GLY 677 Ca 0.05 -1.21 -0.32 0.00 0.00 0.00 0.00 46.02 44.55 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 6.70 0.36 1.61 -4.77 -1.26 -1.45 116.67 113.86 3bpr s ASP 678 Ca 0.00 1.23 0.07 0.00 -3.30 0.00 0.00 52.55 50.55 3bpr s ASP 678 Cb 0.00 -2.35 0.70 0.00 -1.09 0.00 0.00 42.92 40.18 3bpr s ASP 678 CO 0.00 -0.25 1.90 0.25 0.70 0.00 0.00 175.17 177.77 3bpr h LEU 679 N 2.02 0.35 -0.26 2.11 5.85 0.77 -2.73 115.31 123.43 3bpr h LEU 679 Ca -0.48 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.16 3bpr h LEU 679 Cb 1.18 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 3bpr h LEU 679 CO 0.65 0.46 0.11 -0.74 -0.34 0.00 0.00 178.44 178.59 3bpr h HIS 680 N 0.36 0.38 0.00 1.25 2.76 -1.71 -1.23 115.15 116.97 3bpr h HIS 680 Ca 0.08 -0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.19 3bpr h HIS 680 Cb 0.34 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.18 3bpr h HIS 680 CO 0.01 0.38 -0.17 1.15 -1.30 0.00 0.00 177.93 178.00 3bpr h THR 681 N 0.27 0.36 -0.02 6.26 2.02 -1.82 -2.64 112.91 117.34 3bpr h THR 681 Ca 0.09 -1.12 -0.26 0.00 0.77 0.00 0.00 66.41 65.89 3bpr h THR 681 Cb 0.15 1.85 0.02 0.00 -1.74 0.00 0.00 68.15 68.43 3bpr h THR 681 CO -0.01 0.17 -1.00 0.22 0.37 0.00 0.00 175.52 175.27 3bpr h TYR 682 N 0.00 1.04 -0.53 3.16 5.03 -1.19 -1.76 116.97 122.73 3bpr h TYR 682 Ca -0.00 -0.55 -0.02 0.00 2.58 0.00 0.00 58.73 60.74 3bpr h TYR 682 Cb 0.84 -0.13 -0.02 0.00 1.55 0.00 0.00 36.73 38.97 3bpr h TYR 682 CO 0.00 1.39 0.25 -0.07 -1.32 0.00 0.00 178.16 178.41 3bpr h LEU 683 N 0.42 0.69 0.20 2.82 3.38 -0.89 -1.44 115.31 120.50 3bpr h LEU 683 Ca -0.12 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 3bpr h LEU 683 Cb 1.65 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.22 3bpr h LEU 683 CO 0.20 0.63 -0.10 -0.07 0.09 0.00 0.00 178.44 179.19 3bpr h LEU 684 N 0.71 -0.23 -1.14 1.67 3.38 -1.48 -2.68 115.31 115.54 3bpr h LEU 684 Ca 0.18 -0.06 0.21 0.00 0.09 0.00 0.00 57.88 58.30 3bpr h LEU 684 Cb 0.12 0.06 -0.10 0.00 0.09 0.00 0.00 40.66 40.83 3bpr h LEU 684 CO -0.02 -0.09 0.62 1.88 0.09 0.00 0.00 178.44 180.91 3bpr h TYR 685 N -0.36 0.93 0.00 1.13 0.99 -1.14 0.08 116.97 118.60 3bpr h TYR 685 Ca -0.03 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3bpr h TYR 685 Cb 0.28 -0.28 0.00 0.00 1.00 0.00 0.00 36.73 37.73 3bpr h TYR 685 CO -0.04 0.19 0.00 0.66 -0.00 0.00 0.00 178.16 178.97 3bpr h SER 686 N 0.65 0.00 0.11 3.88 4.64 -0.91 -0.77 113.55 121.15 3bpr h SER 686 Ca 0.57 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.89 3bpr h SER 686 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 3bpr h SER 686 CO -0.34 0.00 -0.03 0.54 -0.87 0.00 0.00 176.83 176.12 3bpr n ARG 687 N -2.92 1.11 -4.47 4.77 1.74 0.01 -4.14 116.66 112.76 3bpr n ARG 687 Ca -0.01 -0.37 -0.31 0.00 -0.77 0.00 0.00 57.85 56.38 3bpr n ARG 687 Cb 0.17 -1.49 -0.11 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 -2.15 3.03 1.03 0.55 1.43 -0.30 -5.13 118.68 117.15 3bpr s LEU 688 Ca 0.39 -0.24 -0.11 0.00 -1.03 0.00 0.00 54.13 53.13 3bpr s LEU 688 Cb 0.21 -1.76 0.20 0.00 0.03 0.00 0.00 46.19 44.87 3bpr s LEU 688 CO 0.39 0.26 1.02 -0.62 0.23 0.00 0.00 176.35 177.63 3bpr n GLU 689 N 1.43 -1.28 0.00 1.70 -0.58 -1.26 -3.28 120.64 117.37 3bpr n GLU 689 Ca -0.15 -0.32 0.00 0.00 -0.42 0.00 0.00 57.16 56.26 3bpr n GLU 689 Cb 0.52 -2.25 0.00 0.00 -0.57 0.00 0.00 31.44 29.15 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 -4.52 0.00 -1.62 2.62 -2.24 -1.26 -4.92 114.28 102.34 3bpr n THR 690 Ca 0.08 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.56 3bpr n THR 690 Cb 0.53 0.00 0.09 0.00 -2.10 0.00 0.00 70.33 68.85 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 1.62 0.12 3.38 0.00 -1.20 -4.99 107.32 106.24 3bpr s GLY 691 Ca 0.00 -0.29 -0.20 0.00 0.00 0.00 0.00 44.72 44.24 3bpr s GLY 691 CO 0.00 0.15 0.39 -1.05 0.00 0.00 0.00 173.10 172.59 3bpr n PRO 692 N -3.40 0.00 -0.74 2.90 -0.01 -1.26 -4.83 135.00 127.66 3bpr n PRO 692 Ca 0.07 0.00 -0.32 0.00 -0.01 0.00 0.00 63.50 63.24 3bpr n PRO 692 Cb 0.57 -0.71 0.14 0.00 -0.01 0.00 0.00 33.50 33.49 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 0.71 -0.50 -1.61 -0.52 0.00 -1.26 -4.19 118.16 110.79 3bpr n LYS 693 Ca 0.12 -0.10 -0.52 0.00 -0.00 0.00 0.00 58.31 57.82 3bpr n LYS 693 Cb 0.15 -2.00 -0.06 0.00 -0.00 0.00 0.00 35.03 33.12 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 -3.89 2.00 -2.18 5.58 -0.00 -1.26 -4.84 115.22 110.64 3bpr n HIS 694 Ca 0.08 0.24 -0.43 0.00 0.46 0.00 0.00 57.72 58.07 3bpr n HIS 694 Cb 0.54 -2.57 -0.02 0.00 -0.12 0.00 0.00 29.99 27.82 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 5.16 3.79 0.79 3.57 1.01 -1.26 -5.01 121.20 129.25 3bpr s ILE 695 Ca 1.00 0.90 -0.12 0.00 0.00 0.00 0.00 60.65 62.43 3bpr s ILE 695 Cb -0.84 -3.80 0.07 0.00 0.01 0.00 0.00 42.46 37.89 3bpr s ILE 695 CO 0.54 -0.32 1.13 -2.16 0.00 0.00 0.00 174.94 174.13 3bpr s PRO 696 N 4.54 2.15 0.19 2.79 0.04 -1.26 -4.79 135.00 138.65 3bpr s PRO 696 Ca 0.68 0.36 -0.14 0.00 0.04 0.00 0.00 61.00 61.94 3bpr s PRO 696 Cb -0.23 -1.95 0.19 0.00 0.04 0.00 0.00 34.50 32.54 3bpr s PRO 696 CO 0.28 -1.51 1.68 1.25 0.04 0.00 0.00 177.00 178.73 3bpr h LEU 697 N -1.00 -0.23 -0.87 -3.56 5.85 -1.99 -0.81 115.31 112.70 3bpr h LEU 697 Ca -0.47 0.12 0.20 0.00 0.84 0.00 0.00 57.88 58.58 3bpr h LEU 697 Cb 1.29 0.22 -0.12 0.00 0.37 0.00 0.00 40.66 42.42 3bpr h LEU 697 CO 0.63 -0.08 0.36 1.56 -0.34 0.00 0.00 178.44 180.58 3bpr h GLN 698 N 0.11 0.39 -0.24 1.25 7.50 -1.96 0.13 115.11 122.29 3bpr h GLN 698 Ca 0.25 -0.02 -0.20 0.00 0.50 0.00 0.00 58.65 59.17 3bpr h GLN 698 Cb 0.38 -0.09 0.00 0.00 0.05 0.00 0.00 27.48 27.82 3bpr h GLN 698 CO -0.42 0.26 -0.64 1.15 -1.50 0.00 0.00 178.83 177.67 3bpr h THR 699 N 0.40 1.27 -0.80 -0.54 2.02 -1.53 -1.83 112.91 111.90 3bpr h THR 699 Ca 0.53 -1.82 0.06 0.00 0.77 0.00 0.00 66.41 65.94 3bpr h THR 699 Cb 0.97 1.76 -0.05 0.00 -1.74 0.00 0.00 68.15 69.09 3bpr h THR 699 CO -0.51 0.59 0.53 -0.07 0.37 0.00 0.00 175.52 176.42 3bpr h LEU 700 N 0.63 0.78 -0.19 2.58 3.38 -0.71 -1.70 115.31 120.08 3bpr h LEU 700 Ca -0.01 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 3bpr h LEU 700 Cb 1.26 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 3bpr h LEU 700 CO 0.14 0.51 -0.21 -0.07 0.09 0.00 0.00 178.44 178.89 3bpr h LEU 701 N 0.89 0.52 -0.65 1.67 3.38 -0.89 -2.93 115.31 117.29 3bpr h LEU 701 Ca 0.34 -0.49 0.13 0.00 0.09 0.00 0.00 57.88 57.96 3bpr h LEU 701 Cb 0.21 -0.15 -0.10 0.00 0.09 0.00 0.00 40.66 40.71 3bpr h LEU 701 CO -0.12 0.90 0.09 0.50 0.09 0.00 0.00 178.44 179.90 3bpr h LYS 702 N 0.14 0.19 -0.68 1.13 1.63 -1.09 0.17 116.57 118.06 3bpr h LYS 702 Ca 0.03 -0.01 0.13 0.00 -0.85 0.00 0.00 60.65 59.95 3bpr h LYS 702 Cb 0.76 -0.04 -0.09 0.00 -0.60 0.00 0.00 32.23 32.25 3bpr h LYS 702 CO 0.05 0.13 0.20 0.74 -3.45 0.00 0.00 179.45 177.12 3bpr h PHE 703 N 0.20 0.32 -0.26 1.91 0.04 -1.28 -0.53 116.94 117.34 3bpr h PHE 703 Ca 0.35 0.04 -0.16 0.00 2.80 0.00 0.00 57.97 60.99 3bpr h PHE 703 Cb 0.56 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.68 3bpr h PHE 703 CO -0.30 -0.01 -0.47 0.52 -0.60 0.00 0.00 178.31 177.44 3bpr h MET 704 N 0.32 0.77 0.19 1.51 2.86 -0.94 -2.89 114.93 116.75 3bpr h MET 704 Ca 0.37 -0.49 0.01 0.00 -2.06 0.00 0.00 59.70 57.53 3bpr h MET 704 Cb 0.57 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.27 3bpr h MET 704 CO -0.43 1.11 -0.24 0.28 1.06 0.00 0.00 176.91 178.70 3bpr h VAL 705 N 0.52 0.48 -0.78 -2.22 2.07 -0.23 0.18 116.25 116.27 3bpr h VAL 705 Ca 0.01 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.68 3bpr h VAL 705 Cb 1.08 0.48 -0.15 0.00 -1.52 0.00 0.00 31.29 31.18 3bpr h VAL 705 CO 0.11 0.00 -0.24 0.44 0.02 0.00 0.00 177.57 177.90 3bpr h ASP 706 N -0.48 -0.87 -0.40 0.57 5.19 -1.11 0.42 116.42 119.73 3bpr h ASP 706 Ca 0.01 0.24 -0.13 0.00 -0.62 0.00 0.00 57.03 56.53 3bpr h ASP 706 Cb 0.47 0.53 -0.01 0.00 0.18 0.00 0.00 39.33 40.49 3bpr h ASP 706 CO -0.08 -0.27 -0.23 0.40 -3.12 0.00 0.00 179.24 175.94 3bpr h ILE 707 N -0.03 1.27 -0.15 0.35 2.04 -1.24 0.58 117.51 120.33 3bpr h ILE 707 Ca 0.35 -1.38 0.03 0.00 1.00 0.00 0.00 64.86 64.87 3bpr h ILE 707 Cb 0.58 1.17 -0.03 0.00 -0.74 0.00 0.00 36.82 37.80 3bpr h ILE 707 CO -0.81 0.47 -0.02 0.00 0.00 0.00 0.00 178.15 177.79 3bpr h ALA 708 N 0.95 0.11 0.20 1.87 0.00 0.12 0.40 119.26 122.91 3bpr h ALA 708 Ca 0.10 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3bpr h ALA 708 Cb 0.78 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3bpr h ALA 708 CO 0.06 -0.47 -0.10 -0.07 0.00 0.00 0.00 179.25 178.68 3bpr h LEU 709 N 0.02 -0.24 -0.74 0.00 3.38 0.31 0.23 115.31 118.28 3bpr h LEU 709 Ca 0.07 0.01 0.15 0.00 0.09 0.00 0.00 57.88 58.20 3bpr h LEU 709 Cb 0.10 0.06 -0.10 0.00 0.09 0.00 0.00 40.66 40.82 3bpr h LEU 709 CO -0.15 -0.17 0.25 1.23 0.09 0.00 0.00 178.44 179.69 3bpr h GLY 710 N -0.27 1.09 1.92 0.83 0.00 -0.73 -1.29 103.07 104.61 3bpr h GLY 710 Ca -0.03 -0.10 -0.16 0.00 0.00 0.00 0.00 47.33 47.05 3bpr h GLY 710 CO 0.04 -0.15 -0.71 -0.33 0.00 0.00 0.00 176.54 175.40 3bpr h MET 711 N 0.36 0.08 0.14 4.80 2.86 -0.52 -2.70 114.93 119.95 3bpr h MET 711 Ca 0.42 -0.07 0.02 0.00 -2.06 0.00 0.00 59.70 58.00 3bpr h MET 711 Cb 0.67 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.31 3bpr h MET 711 CO -0.45 0.76 -0.29 1.49 1.06 0.00 0.00 176.91 179.47 3bpr h GLU 712 N 0.05 -0.50 -0.56 1.72 4.81 0.57 -0.23 114.58 120.45 3bpr h GLU 712 Ca -0.01 0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.34 3bpr h GLU 712 Cb 1.26 0.11 -0.07 0.00 0.63 0.00 0.00 28.75 30.68 3bpr h GLU 712 CO 0.10 -0.34 0.16 -0.92 -0.73 0.00 0.00 179.01 177.29 3bpr h TYR 713 N -0.52 0.27 -0.38 0.92 3.20 -1.34 -2.13 116.97 116.99 3bpr h TYR 713 Ca 0.03 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.80 3bpr h TYR 713 Cb 0.54 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.77 3bpr h TYR 713 CO -0.25 0.04 -0.27 -0.07 -1.64 0.00 0.00 178.16 175.96 3bpr h LEU 714 N 0.32 0.91 -1.82 2.82 3.38 -1.12 -2.35 115.31 117.45 3bpr h LEU 714 Ca 0.28 -0.43 0.06 0.00 0.09 0.00 0.00 57.88 57.88 3bpr h LEU 714 Cb 0.37 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3bpr h LEU 714 CO -0.32 1.15 0.25 -1.28 0.09 0.00 0.00 178.44 178.33 3bpr h SER 715 N 0.67 0.20 -0.15 -0.43 0.87 -0.83 0.88 113.55 114.76 3bpr h SER 715 Ca 0.08 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.55 3bpr h SER 715 Cb 0.85 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.76 3bpr h SER 715 CO 0.07 0.13 -0.23 0.78 -0.53 0.00 0.00 176.83 177.06 3bpr h ASN 716 N 0.23 0.45 0.09 6.23 2.35 -0.88 -2.71 115.58 121.34 3bpr h ASN 716 Ca 0.17 -0.53 0.00 0.00 -0.55 0.00 0.00 56.30 55.39 3bpr h ASN 716 Cb 0.37 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.61 3bpr h ASN 716 CO -0.03 0.89 0.00 0.54 -1.65 0.00 0.00 177.43 177.18 3bpr n ARG 717 N -4.46 0.09 -3.39 0.81 1.74 -0.97 -4.82 116.66 105.66 3bpr n ARG 717 Ca -0.06 0.20 -0.20 0.00 -0.77 0.00 0.00 57.85 57.02 3bpr n ARG 717 Cb 0.42 -1.50 0.06 0.00 -1.02 0.00 0.00 32.46 30.43 3bpr n ARG 717 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 3bpr n ASN 718 N -1.25 -5.72 -4.64 0.55 0.23 -0.94 -4.99 115.26 98.50 3bpr n ASN 718 Ca 0.03 -0.44 -0.34 0.00 -0.53 0.00 0.00 54.58 53.30 3bpr n ASN 718 Cb 0.04 -4.35 -0.10 0.00 -2.08 0.00 0.00 39.78 33.30 3bpr n ASN 718 CO 0.00 0.00 0.00 0.12 -0.93 0.00 0.00 177.26 176.45 3bpr s PHE 719 N -3.25 3.26 -0.29 -2.53 2.19 0.26 -5.01 117.98 112.60 3bpr s PHE 719 Ca 0.48 0.09 -0.15 0.00 0.33 0.00 0.00 56.93 57.68 3bpr s PHE 719 Cb -0.21 -2.08 -0.03 0.00 -1.31 0.00 0.00 43.02 39.39 3bpr s PHE 719 CO 0.59 0.16 0.35 -0.51 1.83 0.00 0.00 175.22 177.65 3bpr s LEU 720 N 0.36 4.15 -0.04 6.12 1.02 -1.26 -4.18 118.68 124.85 3bpr s LEU 720 Ca 0.03 0.10 -0.14 0.00 0.02 0.00 0.00 54.13 54.15 3bpr s LEU 720 Cb -0.12 -2.37 -0.08 0.00 0.02 0.00 0.00 46.19 43.64 3bpr s LEU 720 CO -0.00 -0.22 0.60 -0.74 0.02 0.00 0.00 176.35 176.01 3bpr h HIS 721 N 8.29 -0.47 0.00 0.29 2.76 -1.96 -3.42 115.15 120.64 3bpr h HIS 721 Ca -0.31 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.84 3bpr h HIS 721 Cb 1.16 0.15 0.00 0.00 1.55 0.00 0.00 27.41 30.27 3bpr h HIS 721 CO 0.74 -0.29 0.00 0.54 -1.30 0.00 0.00 177.93 177.62 3bpr n ARG 722 N -4.94 -0.32 -2.69 5.26 1.74 -1.26 -0.92 116.66 113.52 3bpr n ARG 722 Ca -0.06 0.08 -0.06 0.00 -0.77 0.00 0.00 57.85 57.04 3bpr n ARG 722 Cb 0.20 -3.32 0.11 0.00 -1.02 0.00 0.00 32.46 28.43 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 -0.16 -1.45 -4.70 0.55 2.03 -1.26 -4.88 116.55 106.68 3bpr n ASP 723 Ca 0.00 -2.41 -0.41 0.00 0.52 0.00 0.00 54.79 52.49 3bpr n ASP 723 Cb 0.08 0.78 -0.03 0.00 -0.72 0.00 0.00 41.12 41.23 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 -3.43 4.32 0.01 -2.67 2.96 -1.26 -4.82 118.68 113.79 3bpr s LEU 724 Ca 0.19 1.47 -0.28 0.00 -0.22 0.00 0.00 54.13 55.29 3bpr s LEU 724 Cb 0.41 -3.41 0.10 0.00 0.50 0.00 0.00 46.19 43.79 3bpr s LEU 724 CO -0.09 -0.26 0.93 0.00 -1.32 0.00 0.00 176.35 175.61 3bpr s ALA 725 N 1.21 -1.82 0.41 5.97 0.00 -1.26 -4.72 121.76 121.55 3bpr s ALA 725 Ca 0.46 0.87 0.29 0.00 0.00 0.00 0.00 51.96 53.59 3bpr s ALA 725 Cb -0.19 0.43 1.52 0.00 0.00 0.00 0.00 23.12 24.88 3bpr s ALA 725 CO 0.22 -0.76 2.09 0.00 0.00 0.00 0.00 175.76 177.32 3bpr h ALA 726 N 2.00 1.24 0.00 0.00 0.00 -1.94 -1.13 119.26 119.43 3bpr h ALA 726 Ca -0.22 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3bpr h ALA 726 Cb 1.23 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3bpr h ALA 726 CO 0.29 0.12 0.00 0.07 0.00 0.00 0.00 179.25 179.74 3bpr h ARG 727 N 0.00 0.00 -0.50 0.00 0.11 -1.95 -2.58 114.38 109.46 3bpr h ARG 727 Ca -0.00 0.00 -0.18 0.00 0.10 0.00 0.00 59.98 59.90 3bpr h ARG 727 Cb 0.32 0.00 -0.11 0.00 1.11 0.00 0.00 29.97 31.29 3bpr h ARG 727 CO 0.01 0.00 0.12 0.09 0.10 0.00 0.00 179.97 180.29 3bpr n ASN 728 N -2.82 3.58 -4.14 0.08 5.03 -0.43 -4.74 115.26 111.82 3bpr n ASN 728 Ca 0.01 -3.42 -0.29 0.00 0.87 0.00 0.00 54.58 51.75 3bpr n ASN 728 Cb 0.26 -0.66 -0.17 0.00 -1.02 0.00 0.00 39.78 38.18 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 0.47 2.95 -0.21 0.00 -1.94 -0.33 0.11 119.30 120.34 3bpr s MET 730 Ca -0.17 -0.86 -0.08 0.00 -1.71 0.00 0.00 55.69 52.87 3bpr s MET 730 Cb -0.17 -2.67 -0.04 0.00 2.01 0.00 0.00 34.83 33.96 3bpr s MET 730 CO 0.07 0.48 0.09 -0.51 -0.01 0.00 0.00 175.02 175.14 3bpr s LEU 731 N -3.17 3.84 0.81 -0.03 1.43 -0.53 -1.94 118.68 119.09 3bpr s LEU 731 Ca 0.31 0.04 -0.11 0.00 -1.03 0.00 0.00 54.13 53.34 3bpr s LEU 731 Cb -0.10 -2.00 0.08 0.00 0.03 0.00 0.00 46.19 44.20 3bpr s LEU 731 CO 0.24 0.10 1.09 -0.13 0.23 0.00 0.00 176.35 177.88 3bpr s ARG 732 N 0.80 1.95 0.66 1.70 0.52 0.52 -4.11 118.95 120.99 3bpr s ARG 732 Ca 0.05 0.82 0.34 0.00 -0.52 0.00 0.00 55.73 56.42 3bpr s ARG 732 Cb -0.13 -1.89 1.88 0.00 0.52 0.00 0.00 34.95 35.33 3bpr s ARG 732 CO 0.02 -1.76 2.08 -0.44 0.02 0.00 0.00 175.30 175.22 3bpr h ASP 733 N -1.20 0.00 -0.44 0.23 5.19 -1.94 0.15 116.42 118.41 3bpr h ASP 733 Ca -0.47 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 55.94 3bpr h ASP 733 Cb 1.26 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.77 3bpr h ASP 733 CO 0.56 0.00 0.00 -0.90 -3.12 0.00 0.00 179.24 175.78 3bpr n ASP 734 N -3.08 4.94 -0.32 6.45 5.68 -1.26 -4.97 116.55 123.99 3bpr n ASP 734 Ca -0.02 -2.98 -0.04 0.00 -0.50 0.00 0.00 54.79 51.25 3bpr n ASP 734 Cb 0.29 -0.63 -0.02 0.00 -1.14 0.00 0.00 41.12 39.62 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 0.11 -1.25 -2.23 0.11 2.81 0.52 -5.00 117.12 112.19 3bpr n MET 735 Ca 0.25 0.54 -0.39 0.00 -1.81 0.00 0.00 57.70 56.29 3bpr n MET 735 Cb 1.07 -4.58 -0.02 0.00 -0.71 0.00 0.00 33.22 28.99 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 -1.68 3.01 -0.10 2.03 2.01 -1.26 -4.78 115.64 114.86 3bpr s THR 736 Ca 0.00 0.87 -0.08 0.00 0.31 0.00 0.00 61.69 62.79 3bpr s THR 736 Cb 0.00 -3.50 -0.04 0.00 0.01 0.00 0.00 72.50 68.96 3bpr s THR 736 CO 0.00 0.10 0.18 -0.69 -0.69 0.00 0.00 174.62 173.53 3bpr s VAL 737 N -1.35 5.44 0.12 3.82 1.01 -1.26 -0.35 120.40 127.83 3bpr s VAL 737 Ca 0.56 0.31 0.05 0.00 0.00 0.00 0.00 61.98 62.90 3bpr s VAL 737 Cb -0.33 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 3bpr s VAL 737 CO 0.42 0.61 -0.12 0.00 0.00 0.00 0.00 175.10 176.01 3bpr s VAL 739 N -2.57 4.71 0.33 0.00 1.01 -0.69 -1.19 120.40 121.99 3bpr s VAL 739 Ca 0.10 1.30 0.06 0.00 0.00 0.00 0.00 61.98 63.44 3bpr s VAL 739 Cb -0.02 -3.94 -0.02 0.00 0.00 0.00 0.00 36.38 32.39 3bpr s VAL 739 CO 0.02 0.53 0.22 0.00 0.00 0.00 0.00 175.10 175.87 3bpr n ALA 740 N 1.84 0.62 -1.15 5.51 0.00 -0.71 -1.37 120.51 125.25 3bpr n ALA 740 Ca -0.09 -1.83 -0.05 0.00 0.00 0.00 0.00 53.44 51.47 3bpr n ALA 740 Cb 0.50 1.40 -0.02 0.00 0.00 0.00 0.00 19.45 21.34 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 -1.73 -5.66 -4.76 0.00 9.92 -1.26 -4.84 116.55 108.22 3bpr n ASP 741 Ca 0.03 0.13 -0.41 0.00 -0.53 0.00 0.00 54.79 54.01 3bpr n ASP 741 Cb 0.56 -3.63 -0.01 0.00 -0.64 0.00 0.00 41.12 37.40 3bpr n ASP 741 CO 0.00 0.00 0.00 2.22 0.13 0.00 0.00 177.20 179.55 3bpr n PHE 742 N -2.17 2.92 0.00 1.24 1.16 -1.26 -4.53 117.46 114.82 3bpr n PHE 742 Ca -0.05 0.33 0.00 0.00 -1.87 0.00 0.00 57.45 55.85 3bpr n PHE 742 Cb 0.51 -2.57 0.00 0.00 -1.61 0.00 0.00 39.48 35.81 3bpr n PHE 742 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3bpr n GLY 743 N 1.49 3.24 3.36 4.97 0.00 -0.10 -4.90 105.19 113.25 3bpr n GLY 743 Ca 0.06 0.21 -0.16 0.00 0.00 0.00 0.00 46.02 46.13 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 -4.88 0.00 0.99 4.32 -1.26 -4.91 117.00 111.25 3bpr n LEU 744 Ca 0.00 -0.63 0.00 0.00 -0.02 0.00 0.00 56.01 55.36 3bpr n LEU 744 Cb 0.00 -2.88 0.00 0.00 -1.62 0.00 0.00 43.42 38.92 3bpr n LEU 744 CO 0.00 -0.13 0.00 -0.24 -1.22 0.00 0.00 177.39 175.80 3bpr n SER 745 N -2.59 0.00 0.00 -1.43 2.88 -1.26 -5.19 113.62 106.02 3bpr n SER 745 Ca -0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 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 -0.32 -1.46 -0.04 -1.26 -5.16 135.00 126.76 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 0.41 0.00 -0.04 0.00 0.00 33.50 33.87 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 0.65 0.00 0.52 2.07 -1.97 -0.53 116.25 116.99 3bpr h VAL 764 Ca 0.00 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.32 3bpr h VAL 764 Cb 0.00 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 29.78 3bpr h VAL 764 CO 0.00 0.11 0.00 0.29 0.02 0.00 0.00 177.57 177.99 3bpr n LYS 765 N -4.68 0.72 0.00 1.57 5.02 -1.26 -2.58 118.16 116.95 3bpr n LYS 765 Ca 0.23 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.57 3bpr n LYS 765 Cb 0.67 -1.45 -0.04 0.00 -0.02 0.00 0.00 35.03 34.19 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 -0.95 0.00 -2.99 2.13 8.01 -0.21 -4.96 117.44 118.47 3bpr n TRP 766 Ca 0.16 0.00 -0.40 0.00 -1.31 0.00 0.00 57.50 55.95 3bpr n TRP 766 Cb 0.07 0.00 -0.05 0.00 -2.01 0.00 0.00 31.31 29.32 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 4.60 0.47 -0.99 1.01 -1.07 -3.90 121.20 119.51 3bpr s ILE 767 Ca 0.06 1.64 -0.21 0.00 0.00 0.00 0.00 60.65 62.14 3bpr s ILE 767 Cb 0.08 -4.12 -0.08 0.00 0.01 0.00 0.00 42.46 38.36 3bpr s ILE 767 CO 0.38 0.43 1.08 0.00 0.00 0.00 0.00 174.94 176.83 3bpr s ALA 768 N -0.48 2.90 0.27 9.38 0.00 -1.26 -4.81 121.76 127.76 3bpr s ALA 768 Ca 0.37 0.73 -0.09 0.00 0.00 0.00 0.00 51.96 52.98 3bpr s ALA 768 Cb -0.21 -3.30 0.43 0.00 0.00 0.00 0.00 23.12 20.03 3bpr s ALA 768 CO 0.24 -0.44 1.57 -0.84 0.00 0.00 0.00 175.76 176.28 3bpr h ILE 769 N 1.69 0.05 -0.05 0.00 -0.00 -1.96 -1.02 117.51 116.21 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 0.05 -0.01 0.00 -0.00 0.00 0.00 36.82 38.09 3bpr h ILE 769 CO 0.60 0.00 -0.40 1.05 -0.00 0.00 0.00 178.15 179.39 3bpr h GLU 770 N -0.00 0.11 0.03 0.16 9.09 -1.91 0.14 114.58 122.19 3bpr h GLU 770 Ca 0.46 -0.05 -0.24 0.00 0.05 0.00 0.00 59.36 59.58 3bpr h GLU 770 Cb 0.69 -0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.80 3bpr h GLU 770 CO -0.98 0.50 -1.00 0.77 0.05 0.00 0.00 179.01 178.34 3bpr h SER 771 N 0.09 0.50 -0.20 3.06 0.02 -1.29 0.40 113.55 116.13 3bpr h SER 771 Ca 0.01 -0.43 -0.02 0.00 -0.84 0.00 0.00 61.79 60.51 3bpr h SER 771 Cb 0.76 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.13 3bpr h SER 771 CO 0.06 1.25 0.07 0.25 -1.14 0.00 0.00 176.83 177.31 3bpr h LEU 772 N 0.19 0.29 0.24 5.07 5.85 -0.63 -2.36 115.31 123.97 3bpr h LEU 772 Ca -0.09 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.42 3bpr h LEU 772 Cb 1.66 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.62 3bpr h LEU 772 CO 0.17 0.41 -0.12 0.00 -0.34 0.00 0.00 178.44 178.56 3bpr h ALA 773 N 0.89 -0.53 -0.01 1.25 0.00 -0.73 -3.41 119.26 116.73 3bpr h ALA 773 Ca 0.07 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3bpr h ALA 773 Cb 0.22 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3bpr h ALA 773 CO -0.00 -0.50 -0.65 -0.40 0.00 0.00 0.00 179.25 177.69 3bpr n ASP 774 N -3.71 1.56 0.00 0.00 5.75 0.14 -4.97 116.55 115.33 3bpr n ASP 774 Ca -0.04 -1.28 0.00 0.00 -0.01 0.00 0.00 54.79 53.46 3bpr n ASP 774 Cb 0.13 0.69 0.00 0.00 -1.03 0.00 0.00 41.12 40.90 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 -0.61 0.00 -1.56 0.11 1.74 -0.89 -4.99 116.66 110.46 3bpr n ARG 775 Ca 0.07 0.00 -0.46 0.00 -0.77 0.00 0.00 57.85 56.69 3bpr n ARG 775 Cb 0.39 -1.27 -0.02 0.00 -1.02 0.00 0.00 32.46 30.54 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 1.67 -3.62 1.55 0.31 -1.26 -4.88 118.33 110.11 3bpr n VAL 776 Ca 0.00 -0.42 -0.14 0.00 -0.01 0.00 0.00 64.34 63.77 3bpr n VAL 776 Cb 0.00 -0.82 -0.13 0.00 -0.91 0.00 0.00 33.84 31.99 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 -0.80 -0.44 0.33 3.52 5.04 -1.26 -3.58 117.35 120.15 3bpr s TYR 777 Ca 0.64 0.87 0.04 0.00 -2.44 0.00 0.00 57.07 56.18 3bpr s TYR 777 Cb -0.78 -0.07 -0.06 0.00 0.35 0.00 0.00 41.96 41.40 3bpr s TYR 777 CO 0.57 -0.42 0.04 0.95 -1.34 0.00 0.00 175.55 175.35 3bpr s THR 778 N 2.42 1.34 0.43 4.34 -4.23 -1.26 -4.99 115.64 113.69 3bpr s THR 778 Ca 0.03 -2.01 0.33 0.00 -1.18 0.00 0.00 61.69 58.85 3bpr s THR 778 Cb -0.13 -2.77 0.33 0.00 1.34 0.00 0.00 72.50 71.27 3bpr s THR 778 CO -0.10 -0.04 2.00 0.77 -0.54 0.00 0.00 174.62 176.71 3bpr h SER 779 N 2.10 0.00 0.32 3.99 4.64 -1.99 0.93 113.55 123.54 3bpr h SER 779 Ca -0.41 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.83 3bpr h SER 779 Cb 1.24 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.32 3bpr h SER 779 CO 0.71 0.00 -0.34 0.11 -0.87 0.00 0.00 176.83 176.44 3bpr h LYS 780 N 0.00 0.04 -0.37 4.77 1.79 -1.94 -1.12 116.57 119.73 3bpr h LYS 780 Ca 0.00 -0.01 -0.11 0.00 -2.18 0.00 0.00 60.65 58.35 3bpr h LYS 780 Cb 0.25 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.88 3bpr h LYS 780 CO 0.00 0.38 -0.21 0.77 -1.08 0.00 0.00 179.45 179.31 3bpr h SER 781 N 0.03 0.72 -0.76 0.86 0.02 0.51 -1.41 113.55 113.53 3bpr h SER 781 Ca 0.00 -0.25 -0.03 0.00 -0.84 0.00 0.00 61.79 60.67 3bpr h SER 781 Cb 0.62 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.93 3bpr h SER 781 CO 0.05 0.92 0.35 0.44 -1.14 0.00 0.00 176.83 177.44 3bpr h ASP 782 N 0.63 1.01 -0.67 3.07 3.32 -1.36 -1.93 116.42 120.50 3bpr h ASP 782 Ca 0.09 -0.15 0.10 0.00 0.02 0.00 0.00 57.03 57.09 3bpr h ASP 782 Cb 0.69 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.94 3bpr h ASP 782 CO 0.05 0.88 0.44 0.58 -1.72 0.00 0.00 179.24 179.47 3bpr h VAL 783 N 1.08 0.92 0.04 -1.35 2.07 -0.52 0.25 116.25 118.74 3bpr h VAL 783 Ca 0.26 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.60 3bpr h VAL 783 Cb 0.15 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 3bpr h VAL 783 CO -0.03 0.10 -0.02 -0.25 0.02 0.00 0.00 177.57 177.39 3bpr h TRP 784 N 0.52 -0.05 -0.90 1.57 2.91 -0.66 -2.42 115.95 116.93 3bpr h TRP 784 Ca 0.31 -0.00 0.13 0.00 1.13 0.00 0.00 58.89 60.46 3bpr h TRP 784 Cb 0.51 0.02 -0.09 0.00 -0.51 0.00 0.00 29.16 29.09 3bpr h TRP 784 CO -0.00 0.33 0.52 0.00 -1.03 0.00 0.00 178.44 178.26 3bpr h ALA 785 N 0.51 1.36 -0.70 2.65 0.00 -0.57 -1.57 119.26 120.93 3bpr h ALA 785 Ca -0.01 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3bpr h ALA 785 Cb 0.40 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 3bpr h ALA 785 CO 0.01 0.05 0.40 0.35 0.00 0.00 0.00 179.25 180.07 3bpr h PHE 786 N 0.79 0.94 -0.50 0.00 3.57 -0.38 0.53 116.94 121.87 3bpr h PHE 786 Ca 0.47 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.93 3bpr h PHE 786 Cb 0.56 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 3bpr h PHE 786 CO -0.05 0.64 0.21 0.78 -2.23 0.00 0.00 178.31 177.66 3bpr h GLY 787 N 1.01 0.80 1.01 2.40 0.00 -0.79 0.98 103.07 108.48 3bpr h GLY 787 Ca 0.25 -0.43 -0.00 0.00 0.00 0.00 0.00 47.33 47.15 3bpr h GLY 787 CO -0.04 0.40 0.46 -2.08 0.00 0.00 0.00 176.54 175.28 3bpr h VAL 788 N 0.67 1.21 -0.52 4.60 2.07 -1.08 -2.21 116.25 120.99 3bpr h VAL 788 Ca 0.17 -0.46 -0.05 0.00 0.82 0.00 0.00 66.70 67.18 3bpr h VAL 788 Cb 0.18 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.08 3bpr h VAL 788 CO -0.02 0.22 0.13 0.74 0.02 0.00 0.00 177.57 178.67 3bpr h THR 789 N 1.03 1.24 -0.31 2.57 2.02 -0.25 -1.11 112.91 118.10 3bpr h THR 789 Ca 0.27 -0.85 0.06 0.00 0.77 0.00 0.00 66.41 66.66 3bpr h THR 789 Cb -0.04 0.80 -0.06 0.00 -1.74 0.00 0.00 68.15 67.12 3bpr h THR 789 CO -0.05 0.31 -0.05 0.24 0.37 0.00 0.00 175.52 176.34 3bpr h MET 790 N 0.72 0.03 -0.41 6.66 2.86 -0.56 -1.65 114.93 122.57 3bpr h MET 790 Ca 0.16 -0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.87 3bpr h MET 790 Cb 0.33 -0.01 -0.06 0.00 0.06 0.00 0.00 31.60 31.92 3bpr h MET 790 CO 0.00 0.02 0.07 2.35 1.06 0.00 0.00 176.91 180.41 3bpr h TRP 791 N 0.03 0.12 -0.88 -0.22 7.01 -1.06 0.17 115.95 121.12 3bpr h TRP 791 Ca 0.15 0.03 0.19 0.00 2.11 0.00 0.00 58.89 61.37 3bpr h TRP 791 Cb 0.22 0.01 -0.11 0.00 -2.10 0.00 0.00 29.16 27.18 3bpr h TRP 791 CO -0.27 -0.00 0.40 0.93 -2.79 0.00 0.00 178.44 176.71 3bpr h GLU 792 N 0.20 0.46 -0.09 2.65 5.08 -0.43 0.15 114.58 122.59 3bpr h GLU 792 Ca 0.20 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.50 3bpr h GLU 792 Cb 0.25 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 3bpr h GLU 792 CO -0.27 0.30 -0.09 0.82 -1.00 0.00 0.00 179.01 178.77 3bpr h ILE 793 N 0.47 1.37 -0.84 3.13 2.04 -0.42 0.53 117.51 123.79 3bpr h ILE 793 Ca 0.52 -1.27 0.13 0.00 1.00 0.00 0.00 64.86 65.25 3bpr h ILE 793 Cb 0.92 2.01 -0.06 0.00 -0.74 0.00 0.00 36.82 38.95 3bpr h ILE 793 CO -0.47 0.36 0.55 0.00 0.00 0.00 0.00 178.15 178.58 3bpr h ALA 794 N 0.56 1.86 -0.01 1.87 0.00 0.36 -1.39 119.26 122.51 3bpr h ALA 794 Ca 0.01 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3bpr h ALA 794 Cb 0.62 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3bpr h ALA 794 CO 0.02 -0.07 -0.26 0.25 0.00 0.00 0.00 179.25 179.19 3bpr n THR 795 N -4.53 0.00 -3.56 0.00 -2.24 0.42 -4.95 114.28 99.42 3bpr n THR 795 Ca 0.16 -0.15 -0.22 0.00 -2.27 0.00 0.00 64.05 61.56 3bpr n THR 795 Cb 0.44 0.51 0.08 0.00 -2.10 0.00 0.00 70.33 69.26 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 -0.51 -7.64 0.00 -0.78 1.74 -0.52 -4.15 116.66 104.79 3bpr n ARG 796 Ca 0.12 0.83 0.00 0.00 -0.77 0.00 0.00 57.85 58.04 3bpr n ARG 796 Cb 0.36 -5.88 0.00 0.00 -1.02 0.00 0.00 32.46 25.92 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 -1.79 1.53 3.77 -0.13 0.00 0.10 -4.10 105.19 104.57 3bpr n GLY 797 Ca -0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.40 4.23 0.24 1.61 -1.94 -1.26 -4.99 119.30 116.79 3bpr s MET 798 Ca 0.00 1.72 -0.30 0.00 -1.71 0.00 0.00 55.69 55.40 3bpr s MET 798 Cb 0.00 -2.75 -0.10 0.00 2.01 0.00 0.00 34.83 33.99 3bpr s MET 798 CO 0.00 -0.13 1.42 0.99 -0.01 0.00 0.00 175.02 177.29 3bpr s THR 799 N -1.44 2.74 0.55 2.05 2.01 -1.26 -4.77 115.64 115.52 3bpr s THR 799 Ca 0.54 0.62 -0.21 0.00 0.31 0.00 0.00 61.69 62.95 3bpr s THR 799 Cb -0.28 -3.39 -0.05 0.00 0.01 0.00 0.00 72.50 68.79 3bpr s THR 799 CO 0.35 0.10 1.30 -2.65 -0.69 0.00 0.00 174.62 173.04 3bpr n PRO 800 N 2.38 1.56 -3.20 4.92 -0.02 -1.26 -4.08 135.00 135.30 3bpr n PRO 800 Ca 0.07 0.58 -0.09 0.00 -2.02 0.00 0.00 63.50 62.04 3bpr n PRO 800 Cb 0.41 -2.51 0.03 0.00 -0.02 0.00 0.00 33.50 31.40 3bpr n PRO 800 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3bpr n TYR 801 N -1.14 -2.68 -2.00 6.00 4.02 -1.26 -4.93 117.16 115.16 3bpr n TYR 801 Ca 0.11 0.98 -0.40 0.00 -0.01 0.00 0.00 57.90 58.57 3bpr n TYR 801 Cb 0.45 -4.02 -0.01 0.00 -0.02 0.00 0.00 39.34 35.74 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 -3.80 4.17 0.00 -0.72 0.04 -1.26 -2.30 135.00 131.13 3bpr s PRO 802 Ca 0.20 2.31 0.00 0.00 0.04 0.00 0.00 61.00 63.55 3bpr s PRO 802 Cb -0.03 -2.95 0.00 0.00 0.04 0.00 0.00 34.50 31.55 3bpr s PRO 802 CO 0.76 -0.38 0.00 0.41 0.04 0.00 0.00 177.00 177.83 3bpr n GLY 803 N 0.66 2.80 3.52 0.56 0.00 -1.26 -5.01 105.19 106.47 3bpr n GLY 803 Ca 0.01 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.86 5.08 0.60 1.61 1.01 -0.97 -5.07 120.40 120.81 3bpr s VAL 804 Ca 0.00 -0.04 -0.17 0.00 0.00 0.00 0.00 61.98 61.76 3bpr s VAL 804 Cb 0.00 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 3bpr s VAL 804 CO 0.00 -0.28 1.13 -1.10 0.00 0.00 0.00 175.10 174.85 3bpr s GLN 805 N 2.19 3.05 0.19 2.72 -0.21 -1.26 -4.93 119.66 121.41 3bpr s GLN 805 Ca 0.14 1.54 -0.16 0.00 0.02 0.00 0.00 55.36 56.90 3bpr s GLN 805 Cb -0.16 -1.97 0.18 0.00 1.00 0.00 0.00 33.01 32.06 3bpr s GLN 805 CO 0.13 -1.08 1.63 -0.91 -2.12 0.00 0.00 175.29 172.94 3bpr h ASN 806 N 0.63 -0.61 0.00 5.90 2.35 -1.97 -1.77 115.58 120.10 3bpr h ASN 806 Ca -0.49 0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.44 3bpr h ASN 806 Cb 1.26 0.38 0.00 0.00 0.05 0.00 0.00 38.32 40.01 3bpr h ASN 806 CO 0.55 -0.21 0.00 1.12 -1.65 0.00 0.00 177.43 177.25 3bpr h HIS 807 N -0.04 0.00 -0.00 1.19 2.07 -2.03 -1.59 115.15 114.75 3bpr h HIS 807 Ca 0.26 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.78 3bpr h HIS 807 Cb 0.44 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.42 3bpr h HIS 807 CO -0.48 0.00 -0.48 0.39 -3.07 0.00 0.00 177.93 174.29 3bpr n GLU 808 N -2.69 0.05 -0.12 5.12 1.02 -0.67 -4.61 120.64 118.74 3bpr n GLU 808 Ca -0.02 -0.03 -0.06 0.00 -0.02 0.00 0.00 57.16 57.03 3bpr n GLU 808 Cb 0.05 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.00 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 0.07 0.39 -0.39 3.49 2.86 -1.31 -1.47 114.93 118.57 3bpr h MET 809 Ca 0.00 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3bpr h MET 809 Cb 0.50 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.05 3bpr h MET 809 CO 0.00 0.26 0.26 -0.92 1.06 0.00 0.00 176.91 177.57 3bpr h TYR 810 N 0.40 0.50 0.00 -0.22 -0.00 -1.81 -1.20 116.97 114.63 3bpr h TYR 810 Ca 0.17 0.01 -0.11 0.00 -0.00 0.00 0.00 58.73 58.80 3bpr h TYR 810 Cb 0.08 -0.17 -0.02 0.00 -0.00 0.00 0.00 36.73 36.63 3bpr h TYR 810 CO -0.10 0.32 -0.53 -0.44 -0.00 0.00 0.00 178.16 177.40 3bpr h ASP 811 N 0.53 0.00 -0.45 -2.11 5.19 -1.84 0.60 116.42 118.34 3bpr h ASP 811 Ca 0.14 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.45 3bpr h ASP 811 Cb -0.06 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.44 3bpr h ASP 811 CO -0.03 0.53 -0.11 0.22 -3.12 0.00 0.00 179.24 176.73 3bpr h TYR 812 N 0.00 0.98 -0.21 4.55 3.20 -0.79 -2.74 116.97 121.96 3bpr h TYR 812 Ca -0.01 -0.21 -0.20 0.00 3.14 0.00 0.00 58.73 61.45 3bpr h TYR 812 Cb 1.08 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 39.12 3bpr h TYR 812 CO 0.00 0.97 -0.67 -0.07 -1.64 0.00 0.00 178.16 176.75 3bpr h LEU 813 N 0.71 0.91 -1.53 2.82 3.38 -1.09 -2.95 115.31 117.56 3bpr h LEU 813 Ca 0.11 -0.55 0.10 0.00 0.09 0.00 0.00 57.88 57.63 3bpr h LEU 813 Cb 0.65 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 3bpr h LEU 813 CO 0.04 1.34 0.45 0.25 0.09 0.00 0.00 178.44 180.61 3bpr h LEU 814 N 0.57 0.47 -1.69 1.67 5.85 -0.73 0.52 115.31 121.97 3bpr h LEU 814 Ca -0.02 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 3bpr h LEU 814 Cb 1.28 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 42.22 3bpr h LEU 814 CO 0.14 0.28 0.00 1.41 -0.34 0.00 0.00 178.44 179.94 3bpr n HIS 815 N -4.48 0.56 -1.07 1.25 8.25 -1.05 -4.89 115.22 113.79 3bpr n HIS 815 Ca 0.11 -0.20 -0.02 0.00 -0.26 0.00 0.00 57.72 57.34 3bpr n HIS 815 Cb 0.36 -0.21 -0.01 0.00 1.12 0.00 0.00 29.99 31.24 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 0.16 0.57 3.78 -1.41 0.00 0.18 -5.03 105.19 103.45 3bpr n GLY 816 Ca 0.08 -0.40 -0.38 0.00 0.00 0.00 0.00 46.02 45.31 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 3.78 0.39 1.61 3.76 -1.11 -5.03 115.29 116.72 3bpr s HIS 817 Ca 0.00 1.67 0.04 0.00 -0.15 0.00 0.00 55.06 56.61 3bpr s HIS 817 Cb 0.00 -2.81 -0.04 0.00 1.11 0.00 0.00 32.58 30.84 3bpr s HIS 817 CO 0.00 0.36 0.08 1.03 -0.85 0.00 0.00 174.74 175.36 3bpr s ARG 818 N -1.67 1.86 0.40 1.40 1.81 -1.26 -4.35 118.95 117.14 3bpr s ARG 818 Ca 0.43 -2.10 -0.27 0.00 -1.72 0.00 0.00 55.73 52.07 3bpr s ARG 818 Cb -0.20 -0.86 -0.10 0.00 -0.45 0.00 0.00 34.95 33.34 3bpr s ARG 818 CO 0.25 -0.34 1.47 -0.51 -0.68 0.00 0.00 175.30 175.49 3bpr s LEU 819 N -3.60 4.26 0.48 2.53 1.43 -1.26 -5.00 118.68 117.53 3bpr s LEU 819 Ca 0.27 3.02 -0.11 0.00 -1.03 0.00 0.00 54.13 56.28 3bpr s LEU 819 Cb 0.05 -3.75 -0.06 0.00 0.03 0.00 0.00 46.19 42.47 3bpr s LEU 819 CO 0.14 -0.97 0.87 -0.54 0.23 0.00 0.00 176.35 176.07 3bpr s LYS 820 N -2.21 3.74 0.08 1.70 1.02 -1.26 -5.01 119.74 117.81 3bpr s LYS 820 Ca 0.55 0.58 -0.31 0.00 0.02 0.00 0.00 55.97 56.81 3bpr s LYS 820 Cb -0.46 -2.27 -0.08 0.00 -0.52 0.00 0.00 37.83 34.50 3bpr s LYS 820 CO 0.61 -0.22 1.48 -1.14 -0.92 0.00 0.00 175.35 175.16 3bpr s GLN 821 N -4.32 4.27 0.94 1.68 0.74 -1.26 -5.01 119.66 116.70 3bpr s GLN 821 Ca 0.53 2.14 -0.11 0.00 0.05 0.00 0.00 55.36 57.97 3bpr s GLN 821 Cb -0.10 -3.40 0.12 0.00 1.10 0.00 0.00 33.01 30.73 3bpr s GLN 821 CO 0.38 -0.56 0.88 -2.30 -0.55 0.00 0.00 175.29 173.14 3bpr n PRO 822 N 4.69 -0.51 0.10 1.67 -0.02 -1.26 -4.97 135.00 134.68 3bpr n PRO 822 Ca 0.13 -0.09 -0.07 0.00 -2.02 0.00 0.00 63.50 61.45 3bpr n PRO 822 Cb 0.42 -2.19 -0.04 0.00 -0.02 0.00 0.00 33.50 31.67 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 -1.83 -0.36 -0.86 -0.52 4.57 -1.95 -3.17 114.58 110.47 3bpr h GLU 823 Ca -0.44 0.02 -0.59 0.00 -1.18 0.00 0.00 59.36 57.17 3bpr h GLU 823 Cb 1.28 0.08 -0.34 0.00 -0.16 0.00 0.00 28.75 29.61 3bpr h GLU 823 CO 0.39 -0.24 0.12 -3.47 -1.18 0.00 0.00 179.01 174.63 3bpr n ASP 824 N -3.58 6.16 -4.75 1.04 4.64 -1.26 -4.99 116.55 113.80 3bpr n ASP 824 Ca -0.04 -3.77 -0.35 0.00 -1.38 0.00 0.00 54.79 49.24 3bpr n ASP 824 Cb 0.18 -0.69 -0.08 0.00 -1.04 0.00 0.00 41.12 39.49 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 3.21 2.35 -0.35 0.00 4.77 -1.26 -4.79 117.00 120.93 3bpr n LEU 826 Ca -0.17 1.10 0.25 0.00 -0.03 0.00 0.00 56.01 57.16 3bpr n LEU 826 Cb 0.53 -1.31 0.50 0.00 -2.33 0.00 0.00 43.42 40.81 3bpr n LEU 826 CO 0.36 -0.69 1.18 0.44 -1.33 0.00 0.00 177.39 177.35 3bpr h ASP 827 N 5.16 0.47 -0.07 -1.43 5.19 -1.98 0.77 116.42 124.53 3bpr h ASP 827 Ca -0.46 0.13 0.03 0.00 -0.62 0.00 0.00 57.03 56.10 3bpr h ASP 827 Cb 1.30 0.07 -0.03 0.00 0.18 0.00 0.00 39.33 40.85 3bpr h ASP 827 CO 0.83 -0.02 -0.09 -0.33 -3.12 0.00 0.00 179.24 176.51 3bpr h GLU 828 N 0.36 -0.12 -0.72 3.56 3.07 -1.99 0.44 114.58 119.17 3bpr h GLU 828 Ca 0.68 0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 59.53 3bpr h GLU 828 Cb 1.69 0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 29.60 3bpr h GLU 828 CO -0.44 -0.08 0.35 1.25 -1.40 0.00 0.00 179.01 178.70 3bpr h LEU 829 N -0.13 0.94 -0.60 1.33 5.85 -1.26 -1.77 115.31 119.68 3bpr h LEU 829 Ca 0.06 -0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.59 3bpr h LEU 829 Cb 0.21 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 3bpr h LEU 829 CO -0.14 0.81 0.13 0.22 -0.34 0.00 0.00 178.44 179.12 3bpr h TYR 830 N 1.01 1.02 -0.79 1.25 3.20 -0.65 -2.15 116.97 119.87 3bpr h TYR 830 Ca 0.25 -0.13 0.10 0.00 3.14 0.00 0.00 58.73 62.09 3bpr h TYR 830 Cb 0.11 -0.29 -0.07 0.00 1.54 0.00 0.00 36.73 38.02 3bpr h TYR 830 CO 0.01 0.87 0.43 0.93 -1.64 0.00 0.00 178.16 178.76 3bpr h GLU 831 N 0.88 0.69 -0.11 1.82 5.08 0.33 -0.81 114.58 122.47 3bpr h GLU 831 Ca 0.19 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 3bpr h GLU 831 Cb 0.37 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 3bpr h GLU 831 CO 0.01 0.46 0.04 0.82 -1.00 0.00 0.00 179.01 179.33 3bpr h ILE 832 N 0.71 1.16 -0.12 3.13 2.04 -1.00 -0.81 117.51 122.62 3bpr h ILE 832 Ca 0.39 -0.49 -0.09 0.00 1.00 0.00 0.00 64.86 65.67 3bpr h ILE 832 Cb 0.39 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.74 3bpr h ILE 832 CO -0.26 0.14 -0.32 0.00 0.00 0.00 0.00 178.15 177.71 3bpr h MET 833 N 0.00 0.24 -0.32 2.37 -0.00 -1.03 -3.02 114.93 113.17 3bpr h MET 833 Ca 0.04 -0.09 -0.15 0.00 -0.00 0.00 0.00 59.70 59.49 3bpr h MET 833 Cb 0.19 -0.01 -0.01 0.00 -0.00 0.00 0.00 31.60 31.77 3bpr h MET 833 CO -0.00 0.54 -0.40 -0.92 -0.00 0.00 0.00 176.91 176.12 3bpr h TYR 834 N 0.21 0.94 -0.22 -0.10 3.20 -0.84 -2.18 116.97 117.98 3bpr h TYR 834 Ca 0.03 -0.28 0.06 0.00 3.14 0.00 0.00 58.73 61.68 3bpr h TYR 834 Cb 0.67 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.74 3bpr h TYR 834 CO 0.01 1.05 0.20 0.66 -1.64 0.00 0.00 178.16 178.45 3bpr h SER 835 N 0.64 0.00 0.64 -2.11 4.64 -1.02 -0.41 113.55 115.93 3bpr h SER 835 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3bpr h SER 835 Cb 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 3bpr h SER 835 CO 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.05 3bpr n TRP 837 N -3.00 0.53 -1.96 0.00 8.01 -0.16 -3.93 117.44 116.92 3bpr n TRP 837 Ca -0.01 -1.28 -0.37 0.00 -1.31 0.00 0.00 57.50 54.54 3bpr n TRP 837 Cb 0.22 -0.31 0.03 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 -3.07 3.03 0.11 -0.99 0.52 -1.21 -4.93 118.95 112.42 3bpr s ARG 838 Ca 0.39 1.93 -0.17 0.00 -0.52 0.00 0.00 55.73 57.36 3bpr s ARG 838 Cb 0.35 -2.03 -0.04 0.00 0.52 0.00 0.00 34.95 33.75 3bpr s ARG 838 CO 0.01 -1.18 1.64 1.15 0.02 0.00 0.00 175.30 176.93 3bpr h THR 839 N 1.05 1.20 -3.25 0.02 2.02 -1.96 -3.40 112.91 108.60 3bpr h THR 839 Ca -0.50 -0.62 -0.57 0.00 0.77 0.00 0.00 66.41 65.48 3bpr h THR 839 Cb 1.30 1.01 -0.06 0.00 -1.74 0.00 0.00 68.15 68.66 3bpr h THR 839 CO 0.56 0.21 0.53 -0.62 0.37 0.00 0.00 175.52 176.57 3bpr s ASP 840 N -5.80 7.08 0.45 4.18 2.15 -1.26 -4.88 116.67 118.59 3bpr s ASP 840 Ca -0.13 1.33 0.22 0.00 0.43 0.00 0.00 52.55 54.39 3bpr s ASP 840 Cb 0.09 -2.50 1.20 0.00 -0.30 0.00 0.00 42.92 41.41 3bpr s ASP 840 CO 0.74 -0.47 1.85 1.55 -0.17 0.00 0.00 175.17 178.67 3bpr h PRO 841 N 7.28 0.28 -0.07 4.34 0.13 -1.97 -1.43 132.00 140.56 3bpr h PRO 841 Ca -0.28 -0.02 -0.07 0.00 -0.87 0.00 0.00 66.00 64.77 3bpr h PRO 841 Cb 1.12 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 3bpr h PRO 841 CO 0.87 0.19 -0.26 -0.07 -0.23 0.00 0.00 178.00 178.50 3bpr h LEU 842 N 0.29 0.11 -0.70 1.56 3.38 -1.93 -2.58 115.31 115.44 3bpr h LEU 842 Ca 0.48 -0.03 -0.14 0.00 0.09 0.00 0.00 57.88 58.28 3bpr h LEU 842 Cb 1.39 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 42.09 3bpr h LEU 842 CO -0.15 0.38 -0.64 0.44 0.09 0.00 0.00 178.44 178.56 3bpr h ASP 843 N 0.11 0.03 -3.79 -0.43 3.45 -1.63 -3.45 116.42 110.70 3bpr h ASP 843 Ca 0.02 -0.02 -0.55 0.00 0.43 0.00 0.00 57.03 56.91 3bpr h ASP 843 Cb 0.52 -0.01 0.11 0.00 -0.56 0.00 0.00 39.33 39.40 3bpr h ASP 843 CO 0.04 0.66 0.70 0.54 -1.57 0.00 0.00 179.24 179.61 3bpr n ARG 844 N -3.78 2.47 -1.01 3.56 1.74 -0.97 -4.99 116.66 113.67 3bpr n ARG 844 Ca -0.01 0.87 -0.30 0.00 -0.77 0.00 0.00 57.85 57.64 3bpr n ARG 844 Cb 0.64 -2.58 0.16 0.00 -1.02 0.00 0.00 32.46 29.66 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 -2.13 0.80 0.53 5.56 0.04 -1.26 -5.06 135.00 133.49 3bpr s PRO 845 Ca 0.55 0.92 -0.03 0.00 0.04 0.00 0.00 61.00 62.48 3bpr s PRO 845 Cb -0.49 -1.75 0.01 0.00 0.04 0.00 0.00 34.50 32.31 3bpr s PRO 845 CO 0.62 -2.58 0.80 0.95 0.04 0.00 0.00 177.00 176.83 3bpr s THR 846 N -2.81 3.69 0.33 1.26 -4.23 -1.26 -4.93 115.64 107.68 3bpr s THR 846 Ca 0.65 -0.25 0.01 0.00 -1.18 0.00 0.00 61.69 60.91 3bpr s THR 846 Cb -0.20 -3.42 0.24 0.00 1.34 0.00 0.00 72.50 70.46 3bpr s THR 846 CO 0.58 -0.37 1.96 -0.26 -0.54 0.00 0.00 174.62 176.00 3bpr h PHE 847 N 0.06 0.84 0.00 3.99 0.04 -1.94 -0.29 116.94 119.65 3bpr h PHE 847 Ca -0.45 -0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.20 3bpr h PHE 847 Cb 1.26 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 39.12 3bpr h PHE 847 CO 0.45 0.58 -0.54 0.66 -0.60 0.00 0.00 178.31 178.86 3bpr h SER 848 N 0.88 0.00 -0.30 2.17 4.64 -1.91 0.11 113.55 119.14 3bpr h SER 848 Ca 0.23 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.40 3bpr h SER 848 Cb -0.01 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 3bpr h SER 848 CO -0.04 0.54 -0.35 0.58 -0.87 0.00 0.00 176.83 176.69 3bpr h VAL 849 N 0.00 1.28 -0.03 0.95 2.07 -1.72 -3.17 116.25 115.62 3bpr h VAL 849 Ca -0.01 -1.52 -0.02 0.00 0.82 0.00 0.00 66.70 65.98 3bpr h VAL 849 Cb 1.06 1.37 -0.00 0.00 -1.52 0.00 0.00 31.29 32.19 3bpr h VAL 849 CO 0.07 0.50 -0.05 -0.07 0.02 0.00 0.00 177.57 178.05 3bpr h LEU 850 N 0.70 0.10 -0.61 2.57 3.38 -0.82 -3.12 115.31 117.50 3bpr h LEU 850 Ca 0.07 -0.53 0.12 0.00 0.09 0.00 0.00 57.88 57.63 3bpr h LEU 850 Cb 0.91 -0.03 -0.09 0.00 0.09 0.00 0.00 40.66 41.54 3bpr h LEU 850 CO 0.08 0.61 0.09 -0.09 0.09 0.00 0.00 178.44 179.22 3bpr h ARG 851 N -0.42 0.20 -0.16 1.13 1.12 -0.85 -0.90 114.38 114.50 3bpr h ARG 851 Ca 0.00 -0.01 -0.10 0.00 -1.11 0.00 0.00 59.98 58.76 3bpr h ARG 851 Cb 0.59 -0.05 -0.01 0.00 -0.01 0.00 0.00 29.97 30.49 3bpr h ARG 851 CO 0.01 0.13 -0.33 1.25 -3.11 0.00 0.00 179.97 177.93 3bpr h LEU 852 N 0.21 0.33 -0.52 3.80 5.85 -1.60 -1.76 115.31 121.62 3bpr h LEU 852 Ca 0.32 -0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.88 3bpr h LEU 852 Cb 0.50 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 3bpr h LEU 852 CO -0.45 0.65 0.16 1.56 -0.34 0.00 0.00 178.44 180.02 3bpr h GLN 853 N 0.28 0.82 -0.55 1.25 4.20 -1.12 -1.43 115.11 118.56 3bpr h GLN 853 Ca 0.04 -0.18 -0.09 0.00 0.06 0.00 0.00 58.65 58.48 3bpr h GLN 853 Cb 0.72 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.37 3bpr h GLN 853 CO 0.06 0.76 -0.02 -0.07 -0.67 0.00 0.00 178.83 178.89 3bpr h LEU 854 N 0.72 0.97 -0.43 1.46 3.38 -1.09 -1.54 115.31 118.78 3bpr h LEU 854 Ca 0.17 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 3bpr h LEU 854 Cb 0.28 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3bpr h LEU 854 CO -0.00 1.05 0.17 -0.33 0.09 0.00 0.00 178.44 179.41 3bpr h GLU 855 N 0.87 0.65 -0.23 1.13 5.08 -1.21 -0.55 114.58 120.32 3bpr h GLU 855 Ca 0.15 -0.12 -0.10 0.00 -1.00 0.00 0.00 59.36 58.29 3bpr h GLU 855 Cb 0.56 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 3bpr h GLU 855 CO 0.03 0.60 -0.30 0.87 -1.00 0.00 0.00 179.01 179.22 3bpr h LYS 856 N 0.56 0.47 -0.48 2.33 1.57 -1.20 -2.02 116.57 117.80 3bpr h LYS 856 Ca 0.14 -0.19 -0.07 0.00 -1.87 0.00 0.00 60.65 58.66 3bpr h LYS 856 Cb 0.20 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 3bpr h LYS 856 CO -0.01 0.72 0.02 1.25 -0.57 0.00 0.00 179.45 180.85 3bpr h LEU 857 N 0.41 0.81 -0.89 2.94 5.85 -1.02 -2.18 115.31 121.23 3bpr h LEU 857 Ca 0.05 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.48 3bpr h LEU 857 Cb 0.73 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.50 3bpr h LEU 857 CO 0.06 0.91 0.57 0.25 -0.34 0.00 0.00 178.44 179.89 3bpr h LEU 858 N 0.69 1.04 -1.00 2.25 5.85 -0.77 -0.56 115.31 122.81 3bpr h LEU 858 Ca 0.14 -0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.86 3bpr h LEU 858 Cb 0.49 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.19 3bpr h LEU 858 CO 0.02 0.77 0.65 -0.33 -0.34 0.00 0.00 178.44 179.21 3bpr h GLU 859 N 1.21 1.19 0.00 1.25 3.07 -1.21 -2.94 114.58 117.16 3bpr h GLU 859 Ca 0.32 -0.07 -0.03 0.00 -0.50 0.00 0.00 59.36 59.08 3bpr h GLU 859 Cb -0.10 -0.27 -0.00 0.00 -0.84 0.00 0.00 28.75 27.53 3bpr h GLU 859 CO -0.07 0.79 -0.16 0.66 -1.40 0.00 0.00 179.01 178.83 3bpr h SER 860 N 1.23 0.00 -4.05 1.42 4.64 -0.45 -3.44 113.55 112.91 3bpr h SER 860 Ca 0.41 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 61.24 3bpr h SER 860 Cb 0.07 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.21 3bpr h SER 860 CO -0.15 0.16 0.42 -0.76 -0.87 0.00 0.00 176.83 175.64 3bpr s LEU 861 N -7.78 3.89 1.03 5.97 1.43 -1.08 -5.03 118.68 117.12 3bpr s LEU 861 Ca -0.03 2.09 -0.11 0.00 -1.03 0.00 0.00 54.13 55.05 3bpr s LEU 861 Cb 0.14 -4.45 0.20 0.00 0.03 0.00 0.00 46.19 42.11 3bpr s LEU 861 CO 0.63 -0.89 1.03 -2.65 0.23 0.00 0.00 176.35 174.70 3bpr n PRO 862 N -0.84 -1.33 0.00 1.29 -0.02 -1.26 -5.03 135.00 127.81 3bpr n PRO 862 Ca 0.09 -0.34 0.16 0.00 -2.02 0.00 0.00 63.50 61.39 3bpr n PRO 862 Cb 0.51 -2.25 0.87 0.00 -0.02 0.00 0.00 33.50 32.61 3bpr n PRO 862 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01