#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kvb n ALA 579 N 0.00 -3.07 -2.60 4.31 0.00 -1.26 -5.05 120.51 112.83 2kvb n ALA 579 Ca 0.00 1.11 -0.25 0.00 0.00 0.00 0.00 53.44 54.30 2kvb n ALA 579 Cb 0.00 -3.50 -0.08 0.00 0.00 0.00 0.00 19.45 15.87 2kvb n ALA 579 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2kvb s GLU 580 N -2.50 2.16 0.12 0.00 2.12 -1.26 -5.02 118.70 114.32 2kvb s GLU 580 Ca 0.22 -1.35 0.00 0.00 0.36 0.00 0.00 54.97 54.20 2kvb s GLU 580 Cb -0.06 -2.15 0.00 0.00 0.26 0.00 0.00 34.13 32.18 2kvb s GLU 580 CO 0.77 0.40 0.00 0.00 -0.54 0.00 0.00 175.26 175.89 2kvb n ALA 581 N -0.41 -1.60 -0.67 6.30 0.00 -1.26 -5.05 120.51 117.82 2kvb n ALA 581 Ca -0.08 0.10 0.05 0.00 0.00 0.00 0.00 53.44 53.51 2kvb n ALA 581 Cb 0.57 -0.70 -0.01 0.00 0.00 0.00 0.00 19.45 19.31 2kvb n ALA 581 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2kvb n GLU 582 N -0.97 -0.77 -1.71 0.00 2.13 -1.26 -5.03 120.64 113.02 2kvb n GLU 582 Ca 0.00 0.51 -0.00 0.00 0.66 0.00 0.00 57.16 58.32 2kvb n GLU 582 Cb 0.00 -0.94 0.00 0.00 0.27 0.00 0.00 31.44 30.77 2kvb n GLU 582 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 2kvb n PHE 583 N -1.91 -0.43 0.00 4.31 7.35 -1.26 -4.97 117.46 120.56 2kvb n PHE 583 Ca 0.00 0.16 0.00 0.00 -0.76 0.00 0.00 57.45 56.86 2kvb n PHE 583 Cb 0.17 -1.86 0.00 0.00 0.35 0.00 0.00 39.48 38.14 2kvb n PHE 583 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 2kvb n LEU 584 N -0.98 0.00 -0.55 -2.13 0.00 -1.26 -4.82 117.00 107.26 2kvb n LEU 584 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 56.01 56.04 2kvb n LEU 584 Cb 0.41 0.24 0.10 0.00 0.00 0.00 0.00 43.42 44.18 2kvb n LEU 584 CO 0.07 -0.27 0.54 -1.20 0.00 0.00 0.00 177.39 176.54 2kvb n SER 585 N -2.04 1.53 -4.15 1.96 7.64 -1.26 -4.67 113.62 112.63 2kvb n SER 585 Ca 0.00 -2.08 -0.33 0.00 1.01 0.00 0.00 58.87 57.47 2kvb n SER 585 Cb 0.00 -0.26 -0.15 0.00 -1.01 0.00 0.00 64.21 62.79 2kvb n SER 585 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 2kvb s ARG 586 N -1.65 2.91 -0.11 1.43 3.52 -1.24 -0.66 118.95 123.15 2kvb s ARG 586 Ca 0.15 -0.90 0.00 0.00 -0.13 0.00 0.00 55.73 54.86 2kvb s ARG 586 Cb 0.09 -2.74 -0.02 0.00 -1.56 0.00 0.00 34.95 30.72 2kvb s ARG 586 CO 0.09 -0.29 -0.11 0.99 -0.81 0.00 0.00 175.30 175.16 2kvb s THR 587 N 1.30 3.25 -0.10 4.11 2.01 0.11 -4.91 115.64 121.40 2kvb s THR 587 Ca 0.02 -0.61 -0.04 0.00 0.31 0.00 0.00 61.69 61.38 2kvb s THR 587 Cb -0.15 -2.35 -0.04 0.00 0.01 0.00 0.00 72.50 69.98 2kvb s THR 587 CO -0.09 0.54 0.04 -0.70 -0.69 0.00 0.00 174.62 173.73 2kvb s GLU 588 N -0.04 3.19 0.00 4.92 2.56 -1.26 0.55 118.70 128.62 2kvb s GLU 588 Ca -0.02 -0.33 0.00 0.00 0.00 0.00 0.00 54.97 54.62 2kvb s GLU 588 Cb -0.14 -2.93 0.00 0.00 2.00 0.00 0.00 34.13 33.06 2kvb s GLU 588 CO 0.04 0.68 0.00 0.41 -0.56 0.00 0.00 175.26 175.83 2kvb n GLY 589 N 2.23 4.71 0.98 -1.50 0.00 0.79 -4.94 105.19 107.47 2kvb n GLY 589 Ca -0.19 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 43.79 2kvb n GLY 589 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kvb n ASP 590 N -0.05 0.47 -2.29 1.61 8.00 -1.26 -4.50 116.55 118.53 2kvb n ASP 590 Ca 0.00 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.48 2kvb n ASP 590 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2kvb n ASP 590 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2kvb n ASN 591 N -2.26 0.59 -0.13 -2.24 3.02 -1.25 -3.70 115.26 109.30 2kvb n ASN 591 Ca 0.00 -1.17 0.00 0.00 -0.03 0.00 0.00 54.58 53.38 2kvb n ASN 591 Cb 0.14 -0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.28 2kvb n ASN 591 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kvb s THR 593 N -1.75 1.96 -0.09 0.00 -4.23 -1.26 -1.85 115.64 108.42 2kvb s THR 593 Ca 0.00 -1.40 0.01 0.00 -1.18 0.00 0.00 61.69 59.12 2kvb s THR 593 Cb 0.00 -1.70 0.02 0.00 1.34 0.00 0.00 72.50 72.15 2kvb s THR 593 CO 0.00 0.23 -0.11 0.54 -0.54 0.00 0.00 174.62 174.73 2kvb s VAL 594 N -0.88 1.16 -0.13 2.29 0.11 0.80 -4.36 120.40 119.39 2kvb s VAL 594 Ca 0.10 -0.45 0.03 0.00 -2.93 0.00 0.00 61.98 58.73 2kvb s VAL 594 Cb -0.10 -1.09 0.00 0.00 -1.53 0.00 0.00 36.38 33.67 2kvb s VAL 594 CO 0.03 0.37 -0.21 0.12 -3.33 0.00 0.00 175.10 172.08 2kvb s PHE 595 N 1.02 2.66 -0.07 1.54 5.36 -1.26 0.17 117.98 127.40 2kvb s PHE 595 Ca -0.08 -1.19 0.03 0.00 -0.96 0.00 0.00 56.93 54.73 2kvb s PHE 595 Cb -0.15 -1.80 -0.02 0.00 -0.34 0.00 0.00 43.02 40.72 2kvb s PHE 595 CO -0.01 -0.52 -0.14 0.16 -1.46 0.00 0.00 175.22 173.25 2kvb s ASP 596 N 0.66 3.99 0.47 6.13 -4.77 -1.22 -4.85 116.67 117.09 2kvb s ASP 596 Ca -0.10 -0.24 0.27 0.00 -3.30 0.00 0.00 52.55 49.17 2kvb s ASP 596 Cb -0.16 -1.05 1.02 0.00 -1.09 0.00 0.00 42.92 41.64 2kvb s ASP 596 CO 0.02 0.29 1.86 0.77 0.70 0.00 0.00 175.17 178.81 2kvb h SER 597 N 5.73 0.00 0.11 2.11 4.64 -1.95 -0.59 113.55 123.59 2kvb h SER 597 Ca -0.40 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 60.74 2kvb h SER 597 Cb 1.17 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.28 2kvb h SER 597 CO 0.52 0.14 -0.76 0.06 -0.87 0.00 0.00 176.83 175.92 2kvb h GLN 598 N 0.00 0.32 0.00 4.77 3.07 -1.94 -3.30 115.11 118.03 2kvb h GLN 598 Ca -0.00 -0.49 -0.06 0.00 0.09 0.00 0.00 58.65 58.19 2kvb h GLN 598 Cb 0.69 0.17 -0.01 0.00 0.08 0.00 0.00 27.48 28.42 2kvb h GLN 598 CO 0.02 1.21 -1.34 0.00 0.09 0.00 0.00 178.83 178.81 2kvb n ALA 599 N -2.65 2.37 -3.11 0.06 0.00 -1.25 -4.96 120.51 110.97 2kvb n ALA 599 Ca -0.13 -0.41 -0.18 0.00 0.00 0.00 0.00 53.44 52.72 2kvb n ALA 599 Cb 0.79 -0.97 0.05 0.00 0.00 0.00 0.00 19.45 19.31 2kvb n ALA 599 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kvb n GLY 600 N 1.28 -0.20 2.98 0.00 0.00 -0.23 -5.01 105.19 104.00 2kvb n GLY 600 Ca -0.05 -0.02 -0.20 0.00 0.00 0.00 0.00 46.02 45.74 2kvb n GLY 600 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2kvb s PHE 601 N -3.14 0.93 -0.15 1.61 5.36 -1.20 -4.96 117.98 116.43 2kvb s PHE 601 Ca 0.35 -0.25 -0.16 0.00 -0.96 0.00 0.00 56.93 55.91 2kvb s PHE 601 Cb -0.15 -0.69 -0.04 0.00 -0.34 0.00 0.00 43.02 41.79 2kvb s PHE 601 CO 0.43 -0.13 0.37 -1.54 -1.46 0.00 0.00 175.22 172.90 2kvb s SER 602 N 0.36 6.52 -0.19 6.13 1.04 -1.26 -3.39 113.70 122.90 2kvb s SER 602 Ca -0.06 0.61 -0.01 0.00 0.48 0.00 0.00 55.95 56.97 2kvb s SER 602 Cb -0.10 -2.23 -0.00 0.00 0.10 0.00 0.00 66.02 63.79 2kvb s SER 602 CO 0.01 0.03 -0.11 -0.36 0.98 0.00 0.00 173.24 173.79 2kvb s PHE 603 N 0.68 2.86 -0.37 5.02 0.40 0.13 -4.97 117.98 121.73 2kvb s PHE 603 Ca 0.20 -1.08 -0.13 0.00 -0.60 0.00 0.00 56.93 55.32 2kvb s PHE 603 Cb -0.14 -1.98 0.01 0.00 0.51 0.00 0.00 43.02 41.41 2kvb s PHE 603 CO 0.07 -0.55 0.24 0.34 0.70 0.00 0.00 175.22 176.02 2kvb s ASP 604 N 1.15 5.94 -0.06 1.36 2.15 -1.26 -0.14 116.67 125.81 2kvb s ASP 604 Ca 0.01 -0.72 0.15 0.00 0.43 0.00 0.00 52.55 52.42 2kvb s ASP 604 Cb -0.14 -2.10 0.47 0.00 -0.30 0.00 0.00 42.92 40.84 2kvb s ASP 604 CO -0.04 -0.34 1.40 0.18 -0.17 0.00 0.00 175.17 176.20 2kvb n LEU 605 N 5.09 3.60 -0.35 -1.34 4.77 -0.77 -4.59 117.00 123.40 2kvb n LEU 605 Ca -0.12 -2.29 -0.01 0.00 -0.03 0.00 0.00 56.01 53.56 2kvb n LEU 605 Cb 0.48 -0.39 0.11 0.00 -2.33 0.00 0.00 43.42 41.29 2kvb n LEU 605 CO 0.38 0.77 1.27 0.74 -1.33 0.00 0.00 177.39 179.21 2kvb h THR 606 N 2.65 1.20 0.00 -5.08 2.02 -1.89 -1.57 112.91 110.25 2kvb h THR 606 Ca 0.00 -0.43 0.00 0.00 0.77 0.00 0.00 66.41 66.75 2kvb h THR 606 Cb 1.05 -0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.30 2kvb h THR 606 CO 0.09 0.23 0.00 1.55 0.37 0.00 0.00 175.52 177.76 2kvb h PRO 607 N 1.25 0.00 0.00 6.66 0.13 -1.93 -1.38 132.00 136.72 2kvb h PRO 607 Ca 0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.49 2kvb h PRO 607 Cb -0.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.06 2kvb h PRO 607 CO -0.10 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 178.95 2kvb n LEU 608 N -3.08 0.78 -4.69 1.56 4.32 -0.59 -4.75 117.00 110.54 2kvb n LEU 608 Ca -0.02 0.61 -0.42 0.00 -0.02 0.00 0.00 56.01 56.16 2kvb n LEU 608 Cb 0.12 -0.41 -0.03 0.00 -1.62 0.00 0.00 43.42 41.48 2kvb n LEU 608 CO 0.21 -0.33 0.94 -0.89 -1.22 0.00 0.00 177.39 176.10 2kvb s THR 609 N -3.19 4.21 0.04 -5.08 2.01 -0.52 -4.45 115.64 108.67 2kvb s THR 609 Ca 0.08 1.55 0.08 0.00 0.31 0.00 0.00 61.69 63.71 2kvb s THR 609 Cb 0.11 -4.00 -0.03 0.00 0.01 0.00 0.00 72.50 68.60 2kvb s THR 609 CO 0.52 0.03 -0.22 -0.54 -0.69 0.00 0.00 174.62 173.72 2kvb s LYS 610 N 1.96 1.49 0.06 4.92 1.02 -1.26 -5.00 119.74 122.94 2kvb s LYS 610 Ca 0.57 -0.98 -0.17 0.00 0.02 0.00 0.00 55.97 55.40 2kvb s LYS 610 Cb -0.26 -1.62 -0.13 0.00 -0.52 0.00 0.00 37.83 35.30 2kvb s LYS 610 CO 0.24 0.42 1.34 -0.22 -0.92 0.00 0.00 175.35 176.20 2kvb h LYS 611 N 4.86 0.54 0.00 1.68 3.64 -1.96 -3.00 116.57 122.33 2kvb h LYS 611 Ca -0.43 -0.32 -0.01 0.00 -1.27 0.00 0.00 60.65 58.62 2kvb h LYS 611 Cb 1.16 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 33.01 2kvb h LYS 611 CO 0.44 0.93 -0.03 0.22 -2.27 0.00 0.00 179.45 178.74 2kvb h ASP 612 N 0.20 0.00 -2.36 4.20 3.58 -1.97 -2.86 116.42 117.21 2kvb h ASP 612 Ca 0.02 0.00 0.04 0.00 0.42 0.00 0.00 57.03 57.50 2kvb h ASP 612 Cb 0.88 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.92 2kvb h ASP 612 CO 0.07 0.03 -0.05 0.00 -2.88 0.00 0.00 179.24 176.41 2kvb n ALA 613 N -2.11 -0.35 -2.63 -0.78 0.00 -1.14 -4.79 120.51 108.71 2kvb n ALA 613 Ca 0.02 0.04 -0.34 0.00 0.00 0.00 0.00 53.44 53.17 2kvb n ALA 613 Cb 0.44 -0.12 -0.12 0.00 0.00 0.00 0.00 19.45 19.65 2kvb n ALA 613 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2kvb s TYR 614 N -0.27 2.93 -0.15 0.00 1.51 0.10 -4.95 117.35 116.53 2kvb s TYR 614 Ca 0.00 -0.04 0.01 0.00 -1.01 0.00 0.00 57.07 56.03 2kvb s TYR 614 Cb 0.00 -1.73 0.00 0.00 -0.11 0.00 0.00 41.96 40.12 2kvb s TYR 614 CO 0.00 0.27 -0.19 0.21 -1.11 0.00 0.00 175.55 174.74 2kvb s LYS 615 N -0.66 3.12 -0.11 -0.62 2.20 -1.26 -0.56 119.74 121.84 2kvb s LYS 615 Ca 0.10 -0.80 -0.05 0.00 -0.36 0.00 0.00 55.97 54.86 2kvb s LYS 615 Cb -0.11 -2.53 -0.04 0.00 -1.51 0.00 0.00 37.83 33.64 2kvb s LYS 615 CO 0.02 0.00 0.08 0.08 -0.36 0.00 0.00 175.35 175.17 2kvb s VAL 616 N 0.81 4.99 0.05 4.02 1.01 0.87 -4.93 120.40 127.21 2kvb s VAL 616 Ca -0.06 0.01 0.07 0.00 0.00 0.00 0.00 61.98 62.00 2kvb s VAL 616 Cb -0.15 -3.16 -0.03 0.00 0.00 0.00 0.00 36.38 33.04 2kvb s VAL 616 CO -0.01 0.60 -0.15 -1.61 0.00 0.00 0.00 175.10 173.93 2kvb s GLU 617 N -0.81 2.13 0.00 2.72 2.02 -1.26 -0.05 118.70 123.46 2kvb s GLU 617 Ca 0.13 -0.96 0.00 0.00 0.02 0.00 0.00 54.97 54.16 2kvb s GLU 617 Cb -0.12 -2.25 0.00 0.00 0.10 0.00 0.00 34.13 31.86 2kvb s GLU 617 CO 0.03 0.54 0.00 0.25 0.02 0.00 0.00 175.26 176.10 2kvb n THR 618 N 1.37 0.00 -0.09 3.63 -2.24 0.47 -4.96 114.28 112.45 2kvb n THR 618 Ca -0.16 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.51 2kvb n THR 618 Cb 0.52 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.71 2kvb n THR 618 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2kvb h ASP 619 N 0.00 0.45 0.00 3.42 3.32 -2.04 -3.38 116.42 118.19 2kvb h ASP 619 Ca 0.00 -0.30 0.00 0.00 0.02 0.00 0.00 57.03 56.75 2kvb h ASP 619 Cb 0.00 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.43 2kvb h ASP 619 CO 0.00 0.64 0.00 0.29 -1.72 0.00 0.00 179.24 178.45 2kvb n LYS 620 N -4.62 -0.37 -4.34 3.56 5.02 -1.26 -4.95 118.16 111.19 2kvb n LYS 620 Ca -0.03 -0.30 -0.18 0.00 -2.02 0.00 0.00 58.31 55.78 2kvb n LYS 620 Cb 0.24 -0.79 -0.10 0.00 -0.02 0.00 0.00 35.03 34.36 2kvb n LYS 620 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2kvb s TYR 621 N -0.03 1.65 0.05 2.13 1.51 -1.26 -0.42 117.35 120.97 2kvb s TYR 621 Ca 0.00 -0.72 0.04 0.00 -1.01 0.00 0.00 57.07 55.37 2kvb s TYR 621 Cb 0.00 -0.87 -0.03 0.00 -0.11 0.00 0.00 41.96 40.95 2kvb s TYR 621 CO 0.00 0.19 -0.11 -1.83 -1.11 0.00 0.00 175.55 172.69 2kvb s GLU 622 N -3.74 0.68 -0.17 -0.62 -1.05 -0.89 -0.40 118.70 112.52 2kvb s GLU 622 Ca 0.24 -0.82 0.01 0.00 -0.15 0.00 0.00 54.97 54.25 2kvb s GLU 622 Cb 0.03 -0.58 0.01 0.00 -0.44 0.00 0.00 34.13 33.15 2kvb s GLU 622 CO 0.07 0.13 -0.19 -0.06 0.95 0.00 0.00 175.26 176.16 2kvb s PHE 623 N -1.25 2.77 -0.21 4.83 0.40 0.93 -2.64 117.98 122.82 2kvb s PHE 623 Ca -0.05 -1.45 -0.05 0.00 -0.60 0.00 0.00 56.93 54.78 2kvb s PHE 623 Cb -0.10 -1.90 -0.02 0.00 0.51 0.00 0.00 43.02 41.51 2kvb s PHE 623 CO 0.01 -0.70 -0.01 -1.58 0.70 0.00 0.00 175.22 173.64 2kvb s HIS 624 N 1.13 3.01 0.04 0.36 2.46 0.01 -0.09 115.29 122.21 2kvb s HIS 624 Ca 0.01 -0.58 -0.01 0.00 0.47 0.00 0.00 55.06 54.95 2kvb s HIS 624 Cb -0.14 -2.10 -0.03 0.00 -0.13 0.00 0.00 32.58 30.18 2kvb s HIS 624 CO -0.08 -0.33 -0.03 0.96 -2.47 0.00 0.00 174.74 172.80 2kvb s ILE 625 N 1.16 0.17 0.11 0.89 -4.36 0.27 -0.39 121.20 119.05 2kvb s ILE 625 Ca 0.03 -1.40 0.04 0.00 -0.26 0.00 0.00 60.65 59.06 2kvb s ILE 625 Cb -0.14 -0.95 -0.04 0.00 1.25 0.00 0.00 42.46 42.58 2kvb s ILE 625 CO 0.01 -0.77 -0.11 0.21 0.24 0.00 0.00 174.94 174.52 2kvb s ASN 626 N -2.26 1.59 -0.44 4.36 2.47 -0.75 -0.72 114.94 119.19 2kvb s ASN 626 Ca -0.03 -0.86 -0.29 0.00 0.42 0.00 0.00 52.86 52.10 2kvb s ASN 626 Cb -0.00 -0.00 0.03 0.00 -1.45 0.00 0.00 41.25 39.82 2kvb s ASN 626 CO -0.06 -0.27 1.10 -0.69 -3.72 0.00 0.00 177.10 173.46 2kvb s VAL 627 N -2.63 4.30 0.42 -5.21 1.01 -1.26 -4.82 120.40 112.21 2kvb s VAL 627 Ca 0.09 1.27 0.00 0.00 0.00 0.00 0.00 61.98 63.34 2kvb s VAL 627 Cb -0.02 -4.54 0.00 0.00 0.00 0.00 0.00 36.38 31.82 2kvb s VAL 627 CO 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 175.10 174.23 2kvb n GLY 629 N -1.96 -0.33 3.90 0.00 0.00 0.10 -4.82 105.19 102.08 2kvb n GLY 629 Ca 0.00 -1.05 -0.28 0.00 0.00 0.00 0.00 46.02 44.68 2kvb n GLY 629 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2kvb s PRO 630 N 0.00 2.78 -0.13 1.61 0.04 -1.26 -3.59 135.00 134.45 2kvb s PRO 630 Ca 0.00 0.20 -0.03 0.00 0.04 0.00 0.00 61.00 61.21 2kvb s PRO 630 Cb 0.00 -2.13 -0.03 0.00 0.04 0.00 0.00 34.50 32.38 2kvb s PRO 630 CO 0.00 -0.95 -0.03 0.54 0.04 0.00 0.00 177.00 176.60 2kvb s VAL 631 N -3.22 3.97 -1.09 -0.36 0.11 0.79 -4.76 120.40 115.85 2kvb s VAL 631 Ca 0.57 -0.34 -0.08 0.00 -2.93 0.00 0.00 61.98 59.20 2kvb s VAL 631 Cb -0.11 -2.72 0.28 0.00 -1.53 0.00 0.00 36.38 32.30 2kvb s VAL 631 CO 0.48 0.52 1.13 -0.24 -3.33 0.00 0.00 175.10 173.67 2kvb n SER 632 N 3.14 5.50 -4.40 3.54 2.88 -1.08 -4.62 113.62 118.57 2kvb n SER 632 Ca -0.18 -3.10 -0.32 0.00 -1.33 0.00 0.00 58.87 53.94 2kvb n SER 632 Cb 0.53 -1.33 -0.14 0.00 -0.75 0.00 0.00 64.21 62.52 2kvb n SER 632 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2kvb s VAL 633 N -1.51 2.74 -0.03 2.46 1.01 -1.26 -4.42 120.40 119.39 2kvb s VAL 633 Ca 0.31 -0.83 -0.00 0.00 0.00 0.00 0.00 61.98 61.46 2kvb s VAL 633 Cb -0.08 -2.06 0.02 0.00 0.00 0.00 0.00 36.38 34.27 2kvb s VAL 633 CO -0.06 0.58 1.77 0.61 0.00 0.00 0.00 175.10 177.99 2kvb n GLY 634 N 2.63 2.51 0.00 4.51 0.00 -1.26 -2.64 105.19 110.94 2kvb n GLY 634 Ca -0.17 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.76 2kvb n GLY 634 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kvb n ALA 635 N 1.16 0.18 -2.66 4.61 0.00 -1.26 -5.10 120.51 117.44 2kvb n ALA 635 Ca 0.03 -0.02 -0.09 0.00 0.00 0.00 0.00 53.44 53.36 2kvb n ALA 635 Cb 0.52 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.89 2kvb n ALA 635 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kvb s PRO 637 N -3.25 3.52 0.11 0.00 0.02 -1.26 -4.59 135.00 129.55 2kvb s PRO 637 Ca 0.00 1.66 0.07 0.00 0.02 0.00 0.00 61.00 62.75 2kvb s PRO 637 Cb 0.02 -2.15 0.38 0.00 0.02 0.00 0.00 34.50 32.77 2kvb s PRO 637 CO -0.08 -0.72 1.18 -2.30 -0.33 0.00 0.00 177.00 174.76 2kvb n PRO 638 N -0.99 0.05 0.21 5.54 -0.02 -1.26 -1.92 135.00 136.61 2kvb n PRO 638 Ca 0.10 0.52 0.15 0.00 -2.02 0.00 0.00 63.50 62.25 2kvb n PRO 638 Cb 0.50 -1.69 0.64 0.00 -0.02 0.00 0.00 33.50 32.93 2kvb n PRO 638 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2kvb h ASP 639 N 0.00 0.00 -3.47 2.55 5.19 -1.91 -3.42 116.42 115.36 2kvb h ASP 639 Ca 0.00 0.00 -0.67 0.00 -0.62 0.00 0.00 57.03 55.74 2kvb h ASP 639 Cb 0.08 0.00 -0.16 0.00 0.18 0.00 0.00 39.33 39.44 2kvb h ASP 639 CO 0.00 0.00 -0.67 -0.94 -3.12 0.00 0.00 179.24 174.51 2kvb s SER 640 N -4.92 4.92 0.00 6.45 1.04 -0.81 -0.43 113.70 119.95 2kvb s SER 640 Ca 0.02 -0.03 0.20 0.00 0.48 0.00 0.00 55.95 56.61 2kvb s SER 640 Cb 0.09 -1.25 -0.16 0.00 0.10 0.00 0.00 66.02 64.80 2kvb s SER 640 CO 0.45 0.30 0.88 0.61 0.98 0.00 0.00 173.24 176.46 2kvb n GLY 641 N 1.65 -0.63 3.09 7.32 0.00 -0.15 -0.15 105.19 116.32 2kvb n GLY 641 Ca -0.16 -0.56 -0.12 0.00 0.00 0.00 0.00 46.02 45.18 2kvb n GLY 641 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kvb s ALA 642 N -2.71 -0.69 -0.01 4.61 0.00 -1.21 -1.81 121.76 119.94 2kvb s ALA 642 Ca 0.10 1.10 -0.00 0.00 0.00 0.00 0.00 51.96 53.16 2kvb s ALA 642 Cb 0.15 -0.93 0.01 0.00 0.00 0.00 0.00 23.12 22.36 2kvb s ALA 642 CO 0.73 -0.47 0.01 0.00 0.00 0.00 0.00 175.76 176.03 2kvb s GLN 644 N 0.48 2.81 -0.02 0.00 -2.07 -0.78 -0.81 119.66 119.26 2kvb s GLN 644 Ca -0.04 -0.59 0.01 0.00 -1.82 0.00 0.00 55.36 52.93 2kvb s GLN 644 Cb -0.06 -2.68 0.01 0.00 -1.09 0.00 0.00 33.01 29.19 2kvb s GLN 644 CO -0.01 0.63 -0.04 0.54 -1.32 0.00 0.00 175.29 175.09 2kvb s VAL 645 N -1.06 0.39 -0.25 3.63 0.11 -1.08 -0.20 120.40 121.94 2kvb s VAL 645 Ca 0.19 -0.14 -0.29 0.00 -2.93 0.00 0.00 61.98 58.81 2kvb s VAL 645 Cb -0.11 -0.38 0.01 0.00 -1.53 0.00 0.00 36.38 34.36 2kvb s VAL 645 CO 0.09 0.15 1.09 -0.94 -3.33 0.00 0.00 175.10 172.16 2kvb s SER 646 N 0.36 7.00 0.38 3.54 1.04 0.53 -2.10 113.70 124.45 2kvb s SER 646 Ca -0.04 1.31 0.28 0.00 0.48 0.00 0.00 55.95 57.98 2kvb s SER 646 Cb -0.07 -2.54 1.11 0.00 0.10 0.00 0.00 66.02 64.62 2kvb s SER 646 CO -0.00 -0.77 1.82 0.08 0.98 0.00 0.00 173.24 175.35 2kvb h ARG 647 N 7.85 0.00 0.00 4.02 0.11 -1.06 0.39 114.38 125.69 2kvb h ARG 647 Ca -0.21 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.87 2kvb h ARG 647 Cb 1.07 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.15 2kvb h ARG 647 CO 1.00 0.00 -0.02 0.66 0.10 0.00 0.00 179.97 181.71 2kvb h SER 648 N 0.00 0.00 0.00 0.08 4.64 -1.84 -3.40 113.55 113.03 2kvb h SER 648 Ca 0.00 -0.98 -0.00 0.00 -0.47 0.00 0.00 61.79 60.34 2kvb h SER 648 Cb 0.46 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.55 2kvb h SER 648 CO 0.00 1.00 -1.64 -0.67 -0.87 0.00 0.00 176.83 174.65 2kvb n ASP 649 N -4.61 1.80 -1.79 4.97 2.03 -1.20 -5.02 116.55 112.73 2kvb n ASP 649 Ca -0.10 0.00 -0.09 0.00 0.52 0.00 0.00 54.79 55.12 2kvb n ASP 649 Cb 0.48 1.63 0.03 0.00 -0.72 0.00 0.00 41.12 42.54 2kvb n ASP 649 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2kvb n ARG 650 N -1.99 -3.09 -4.06 -0.67 3.00 0.14 -5.02 116.66 104.96 2kvb n ARG 650 Ca -0.03 0.33 -0.32 0.00 -0.01 0.00 0.00 57.85 57.82 2kvb n ARG 650 Cb 0.37 -3.86 -0.06 0.00 0.00 0.00 0.00 32.46 28.91 2kvb n ARG 650 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2kvb s LYS 651 N -5.31 3.10 0.11 5.56 1.02 -1.25 -4.87 119.74 118.10 2kvb s LYS 651 Ca 0.18 -0.50 0.09 0.00 0.02 0.00 0.00 55.97 55.76 2kvb s LYS 651 Cb -0.08 -2.87 -0.04 0.00 -0.52 0.00 0.00 37.83 34.32 2kvb s LYS 651 CO 0.29 0.63 -0.22 -1.54 -0.92 0.00 0.00 175.35 173.60 2kvb s SER 652 N -1.92 2.67 0.14 2.83 1.04 -1.26 -0.35 113.70 116.85 2kvb s SER 652 Ca 0.25 -0.70 0.05 0.00 0.48 0.00 0.00 55.95 56.03 2kvb s SER 652 Cb -0.12 -0.15 -0.04 0.00 0.10 0.00 0.00 66.02 65.80 2kvb s SER 652 CO 0.17 0.08 -0.11 0.26 0.98 0.00 0.00 173.24 174.62 2kvb s TRP 653 N -1.14 1.27 -0.22 5.02 0.51 0.71 -4.98 118.94 120.11 2kvb s TRP 653 Ca 0.08 -0.71 -0.15 0.00 -2.12 0.00 0.00 56.10 53.20 2kvb s TRP 653 Cb -0.10 -0.65 -0.04 0.00 -0.81 0.00 0.00 33.47 31.87 2kvb s TRP 653 CO 0.05 0.09 0.35 1.21 -0.51 0.00 0.00 176.95 178.14 2kvb s ASN 654 N -2.97 6.34 -0.19 2.95 3.84 -1.26 -1.87 114.94 121.77 2kvb s ASN 654 Ca 0.14 0.39 0.16 0.00 0.21 0.00 0.00 52.86 53.77 2kvb s ASN 654 Cb 0.01 -2.21 0.57 0.00 -0.55 0.00 0.00 41.25 39.07 2kvb s ASN 654 CO 0.01 -0.08 1.48 0.18 -2.79 0.00 0.00 177.10 175.89 2kvb n LEU 655 N 4.66 4.19 0.00 3.21 4.77 -0.12 -2.91 117.00 130.80 2kvb n LEU 655 Ca -0.09 -3.04 0.00 0.00 -0.03 0.00 0.00 56.01 52.85 2kvb n LEU 655 Cb 0.51 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 2kvb n LEU 655 CO 0.38 0.69 0.00 0.61 -1.33 0.00 0.00 177.39 177.74 2kvb n GLY 656 N -0.38 3.82 3.82 -0.72 0.00 -1.16 -1.02 105.19 109.54 2kvb n GLY 656 Ca 0.23 -0.56 -0.30 0.00 0.00 0.00 0.00 46.02 45.39 2kvb n GLY 656 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2kvb s ARG 657 N -3.46 2.15 -0.14 1.61 1.70 -1.25 -0.98 118.95 118.59 2kvb s ARG 657 Ca 0.00 0.57 -0.34 0.00 -0.47 0.00 0.00 55.73 55.49 2kvb s ARG 657 Cb 0.00 -1.93 -0.11 0.00 -0.57 0.00 0.00 34.95 32.34 2kvb s ARG 657 CO 0.00 -1.56 1.96 0.43 -1.08 0.00 0.00 175.30 175.05 2kvb n SER 658 N -3.38 3.27 -3.58 -2.89 7.64 0.42 -3.87 113.62 111.25 2kvb n SER 658 Ca 0.07 0.82 -0.17 0.00 1.01 0.00 0.00 58.87 60.60 2kvb n SER 658 Cb 0.57 -1.38 -0.07 0.00 -1.01 0.00 0.00 64.21 62.32 2kvb n SER 658 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2kvb s ASN 659 N 4.95 -0.55 -0.05 6.43 2.47 -1.24 -4.86 114.94 122.09 2kvb s ASN 659 Ca 0.96 0.57 0.07 0.00 0.42 0.00 0.00 52.86 54.88 2kvb s ASN 659 Cb -0.68 0.49 0.11 0.00 -1.45 0.00 0.00 41.25 39.72 2kvb s ASN 659 CO 0.50 -0.57 0.98 0.00 -3.72 0.00 0.00 177.10 174.29 2kvb n ALA 660 N 0.99 1.95 -2.04 1.71 0.00 -1.26 -0.72 120.51 121.14 2kvb n ALA 660 Ca -0.20 -1.54 -0.39 0.00 0.00 0.00 0.00 53.44 51.30 2kvb n ALA 660 Cb 0.57 -0.26 -0.03 0.00 0.00 0.00 0.00 19.45 19.73 2kvb n ALA 660 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2kvb s LYS 661 N -1.33 2.80 -0.03 0.00 -0.14 -1.24 -3.90 119.74 115.89 2kvb s LYS 661 Ca 0.12 0.79 -0.25 0.00 -1.36 0.00 0.00 55.97 55.27 2kvb s LYS 661 Cb 0.11 -4.34 -0.04 0.00 -1.68 0.00 0.00 37.83 31.88 2kvb s LYS 661 CO 0.01 -2.52 0.77 -0.51 -0.76 0.00 0.00 175.35 172.34 2kvb s LEU 662 N 8.54 4.35 -0.11 3.17 1.43 -1.26 -1.89 118.68 132.91 2kvb s LEU 662 Ca 0.70 1.33 -0.03 0.00 -1.03 0.00 0.00 54.13 55.10 2kvb s LEU 662 Cb -0.15 -3.21 -0.03 0.00 0.03 0.00 0.00 46.19 42.83 2kvb s LEU 662 CO 0.24 -0.12 -0.00 -0.44 0.23 0.00 0.00 176.35 176.26 2kvb s SER 663 N 0.67 5.18 -0.21 2.29 0.01 0.17 -0.15 113.70 121.66 2kvb s SER 663 Ca 0.41 0.07 -0.03 0.00 1.31 0.00 0.00 55.95 57.71 2kvb s SER 663 Cb -0.19 -1.60 -0.00 0.00 0.21 0.00 0.00 66.02 64.44 2kvb s SER 663 CO 0.21 0.31 -0.06 -0.47 0.41 0.00 0.00 173.24 173.63 2kvb s TYR 664 N -0.45 2.93 -0.05 2.43 6.14 0.19 0.55 117.35 129.09 2kvb s TYR 664 Ca 0.08 -1.02 0.00 0.00 0.64 0.00 0.00 57.07 56.77 2kvb s TYR 664 Cb -0.12 -2.08 -0.03 0.00 0.42 0.00 0.00 41.96 40.15 2kvb s TYR 664 CO 0.02 -0.58 -0.03 -0.47 0.64 0.00 0.00 175.55 175.13 2kvb s TYR 665 N 1.45 3.04 -0.29 4.97 5.04 -0.06 0.06 117.35 131.55 2kvb s TYR 665 Ca 0.06 0.09 -0.39 0.00 -2.44 0.00 0.00 57.07 54.38 2kvb s TYR 665 Cb -0.14 -1.72 -0.15 0.00 0.35 0.00 0.00 41.96 40.30 2kvb s TYR 665 CO -0.04 0.41 1.82 -3.47 -1.34 0.00 0.00 175.55 172.92 2kvb n ASP 666 N 1.96 2.39 0.00 4.32 2.03 0.17 -0.30 116.55 127.11 2kvb n ASP 666 Ca -0.17 0.99 0.00 0.00 0.52 0.00 0.00 54.79 56.12 2kvb n ASP 666 Cb 0.53 -1.16 0.00 0.00 -0.72 0.00 0.00 41.12 39.77 2kvb n ASP 666 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kvb n GLY 667 N 4.58 3.21 3.46 0.27 0.00 -1.26 -5.00 105.19 110.45 2kvb n GLY 667 Ca 0.29 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.17 2kvb n GLY 667 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2kvb s MET 668 N -0.50 0.65 0.08 1.61 0.23 0.58 -4.91 119.30 117.05 2kvb s MET 668 Ca 0.00 0.79 -0.20 0.00 -1.03 0.00 0.00 55.69 55.25 2kvb s MET 668 Cb 0.00 0.31 -0.07 0.00 -1.53 0.00 0.00 34.83 33.54 2kvb s MET 668 CO 0.00 -0.08 0.58 0.42 -2.03 0.00 0.00 175.02 173.91 2kvb s ILE 669 N 0.35 4.71 0.15 3.16 1.09 -1.25 -0.88 121.20 128.53 2kvb s ILE 669 Ca -0.00 1.25 0.08 0.00 -1.10 0.00 0.00 60.65 60.87 2kvb s ILE 669 Cb -0.04 -3.92 -0.04 0.00 -1.06 0.00 0.00 42.46 37.40 2kvb s ILE 669 CO 0.00 0.55 -0.17 -1.10 -0.10 0.00 0.00 174.94 174.13 2kvb s GLN 670 N -1.12 1.18 -0.14 2.79 -0.21 0.19 -0.20 119.66 122.15 2kvb s GLN 670 Ca 0.29 -1.35 0.02 0.00 0.02 0.00 0.00 55.36 54.35 2kvb s GLN 670 Cb -0.20 -1.18 0.01 0.00 1.00 0.00 0.00 33.01 32.64 2kvb s GLN 670 CO 0.20 0.24 -0.21 -1.17 -2.12 0.00 0.00 175.29 172.22 2kvb s LEU 671 N -2.58 2.13 -0.18 2.90 0.20 0.66 0.46 118.68 122.26 2kvb s LEU 671 Ca 0.13 -0.60 -0.08 0.00 0.69 0.00 0.00 54.13 54.27 2kvb s LEU 671 Cb -0.05 -1.45 -0.04 0.00 -0.43 0.00 0.00 46.19 44.21 2kvb s LEU 671 CO 0.05 0.07 0.07 -0.89 -0.29 0.00 0.00 176.35 175.37 2kvb s THR 672 N 0.85 4.91 0.54 3.68 2.01 -0.79 -1.06 115.64 125.78 2kvb s THR 672 Ca -0.06 0.01 0.07 0.00 0.31 0.00 0.00 61.69 62.02 2kvb s THR 672 Cb -0.15 -3.21 0.05 0.00 0.01 0.00 0.00 72.50 69.20 2kvb s THR 672 CO -0.03 0.46 0.57 -0.31 -0.69 0.00 0.00 174.62 174.62 2kvb s TYR 673 N 0.33 1.64 0.69 4.92 2.02 -0.16 -4.20 117.35 122.59 2kvb s TYR 673 Ca 0.04 -0.76 0.03 0.00 -0.37 0.00 0.00 57.07 56.02 2kvb s TYR 673 Cb -0.12 -2.07 0.13 0.00 -0.40 0.00 0.00 41.96 39.51 2kvb s TYR 673 CO -0.00 -0.73 0.95 0.54 -1.57 0.00 0.00 175.55 174.74 2kvb n ARG 674 N -1.95 0.11 -0.33 -0.62 5.12 -1.25 -4.62 116.66 113.12 2kvb n ARG 674 Ca 0.06 -2.91 0.16 0.00 -1.93 0.00 0.00 57.85 53.23 2kvb n ARG 674 Cb 0.63 -0.53 0.39 0.00 -1.16 0.00 0.00 32.46 31.78 2kvb n ARG 674 CO 0.00 0.00 0.00 0.38 -1.93 0.00 0.00 177.63 176.08 2kvb h ASP 675 N -0.37 0.67 0.00 0.55 2.03 -1.92 -3.31 116.42 114.06 2kvb h ASP 675 Ca -0.32 0.09 0.00 0.00 -0.73 0.00 0.00 57.03 56.07 2kvb h ASP 675 Cb 1.25 -0.03 0.00 0.00 -0.83 0.00 0.00 39.33 39.73 2kvb h ASP 675 CO 0.37 0.22 0.00 0.61 -1.03 0.00 0.00 179.24 179.41 2kvb n GLY 676 N -1.38 1.13 2.93 7.15 0.00 -1.26 -2.88 105.19 110.89 2kvb n GLY 676 Ca 0.23 0.45 -0.18 0.00 0.00 0.00 0.00 46.02 46.52 2kvb n GLY 676 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kvb s THR 677 N 0.00 0.46 0.59 2.61 2.01 -1.14 -4.88 115.64 115.29 2kvb s THR 677 Ca 0.00 -0.18 -0.17 0.00 0.31 0.00 0.00 61.69 61.65 2kvb s THR 677 Cb 0.00 -0.44 -0.04 0.00 0.01 0.00 0.00 72.50 72.03 2kvb s THR 677 CO 0.00 0.16 1.07 -2.16 -0.69 0.00 0.00 174.62 173.01 2kvb s PRO 678 N 0.30 3.27 0.00 4.92 0.04 -1.26 -1.06 135.00 141.21 2kvb s PRO 678 Ca -0.03 1.31 0.00 0.00 0.04 0.00 0.00 61.00 62.31 2kvb s PRO 678 Cb -0.07 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.45 2kvb s PRO 678 CO -0.00 -0.87 0.10 0.66 0.04 0.00 0.00 177.00 176.93 2kvb n TYR 679 N -1.90 0.00 0.00 0.56 4.02 0.58 -4.77 117.16 115.64 2kvb n TYR 679 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.98 2kvb n TYR 679 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.84 2kvb n TYR 679 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 2kvb n ASN 680 N -0.14 0.00 -4.95 7.72 0.23 -1.26 -5.04 115.26 111.83 2kvb n ASN 680 Ca 0.00 0.00 -0.19 0.00 -0.53 0.00 0.00 54.58 53.86 2kvb n ASN 680 Cb 0.00 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 37.69 2kvb n ASN 680 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2kvb s ASN 681 N 0.00 5.64 0.40 0.53 4.22 -1.26 -4.99 114.94 119.48 2kvb s ASN 681 Ca 0.00 -0.37 0.10 0.00 -2.14 0.00 0.00 52.86 50.45 2kvb s ASN 681 Cb 0.00 -1.00 0.83 0.00 1.28 0.00 0.00 41.25 42.37 2kvb s ASN 681 CO 0.00 -0.49 1.95 -0.08 -2.04 0.00 0.00 177.10 176.44 2kvb h GLU 682 N 0.96 0.24 0.00 3.55 4.81 -2.02 -1.17 114.58 120.94 2kvb h GLU 682 Ca -0.44 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 2kvb h GLU 682 Cb 1.26 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.60 2kvb h GLU 682 CO 0.53 0.34 0.00 -0.22 -0.73 0.00 0.00 179.01 178.93 2kvb h LYS 683 N 0.23 0.00 -5.21 1.92 3.64 -2.06 -3.48 116.57 111.62 2kvb h LYS 683 Ca 0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2kvb h LYS 683 Cb 0.31 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 2kvb h LYS 683 CO 0.02 0.00 -0.01 0.54 -2.27 0.00 0.00 179.45 177.73 2kvb n ARG 684 N -2.74 -1.25 -2.95 1.90 5.12 -0.44 -4.96 116.66 111.33 2kvb n ARG 684 Ca 0.03 1.44 -0.41 0.00 -1.93 0.00 0.00 57.85 56.99 2kvb n ARG 684 Cb 0.41 -5.48 -0.04 0.00 -1.16 0.00 0.00 32.46 26.19 2kvb n ARG 684 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2kvb s THR 685 N -2.99 4.92 0.06 0.55 2.01 -1.26 -4.86 115.64 114.07 2kvb s THR 685 Ca 0.00 1.52 -0.31 0.00 0.31 0.00 0.00 61.69 63.21 2kvb s THR 685 Cb -0.00 -4.09 -0.08 0.00 0.01 0.00 0.00 72.50 68.35 2kvb s THR 685 CO 0.70 0.05 1.52 -2.16 -0.69 0.00 0.00 174.62 174.04 2kvb s PRO 686 N 2.08 4.25 -0.29 4.92 0.04 -1.26 -0.31 135.00 144.43 2kvb s PRO 686 Ca 0.36 2.17 -0.29 0.00 0.04 0.00 0.00 61.00 63.28 2kvb s PRO 686 Cb -0.16 -3.48 -0.00 0.00 0.04 0.00 0.00 34.50 30.89 2kvb s PRO 686 CO 0.12 -0.62 1.36 1.03 0.04 0.00 0.00 177.00 178.93 2kvb s ARG 687 N 2.14 3.89 0.21 4.56 0.52 -0.23 -4.76 118.95 125.29 2kvb s ARG 687 Ca 0.69 1.32 0.06 0.00 -0.52 0.00 0.00 55.73 57.28 2kvb s ARG 687 Cb -0.37 -3.91 -0.05 0.00 0.52 0.00 0.00 34.95 31.14 2kvb s ARG 687 CO 0.30 -1.16 -0.08 0.00 0.02 0.00 0.00 175.30 174.38 2kvb s ALA 688 N 4.53 1.89 -0.08 2.13 0.00 -1.25 -2.98 121.76 126.00 2kvb s ALA 688 Ca 0.59 -1.69 0.03 0.00 0.00 0.00 0.00 51.96 50.89 2kvb s ALA 688 Cb -0.18 0.13 -0.02 0.00 0.00 0.00 0.00 23.12 23.05 2kvb s ALA 688 CO 0.24 -0.07 -0.18 0.99 0.00 0.00 0.00 175.76 176.74 2kvb s THR 689 N -3.17 2.70 -0.18 0.00 2.01 -0.19 0.65 115.64 117.46 2kvb s THR 689 Ca 0.24 -0.82 0.00 0.00 0.31 0.00 0.00 61.69 61.41 2kvb s THR 689 Cb 0.02 -2.06 0.04 0.00 0.01 0.00 0.00 72.50 70.51 2kvb s THR 689 CO 0.07 0.56 -0.08 -0.22 -0.69 0.00 0.00 174.62 174.26 2kvb s LEU 690 N -0.18 1.93 -0.25 4.42 1.98 0.14 -0.99 118.68 125.72 2kvb s LEU 690 Ca -0.01 -0.75 -0.09 0.00 -2.89 0.00 0.00 54.13 50.39 2kvb s LEU 690 Cb -0.13 -1.09 -0.04 0.00 0.66 0.00 0.00 46.19 45.59 2kvb s LEU 690 CO 0.03 -0.15 0.13 -0.63 -1.89 0.00 0.00 176.35 173.84 2kvb s ILE 691 N 1.51 4.90 -0.26 6.68 1.01 -0.23 -1.61 121.20 133.20 2kvb s ILE 691 Ca 0.00 0.03 -0.09 0.00 0.00 0.00 0.00 60.65 60.58 2kvb s ILE 691 Cb -0.15 -3.30 -0.04 0.00 0.01 0.00 0.00 42.46 38.97 2kvb s ILE 691 CO -0.08 0.32 0.14 -0.89 0.00 0.00 0.00 174.94 174.42 2kvb s THR 692 N 1.47 4.93 -0.21 2.92 2.01 0.13 -0.25 115.64 126.64 2kvb s THR 692 Ca 0.06 0.04 -0.11 0.00 0.31 0.00 0.00 61.69 61.99 2kvb s THR 692 Cb -0.15 -3.32 -0.05 0.00 0.01 0.00 0.00 72.50 68.99 2kvb s THR 692 CO 0.06 0.31 0.19 -0.36 -0.69 0.00 0.00 174.62 174.13 2kvb s PHE 693 N 1.53 3.39 0.13 4.92 0.40 0.71 0.29 117.98 129.36 2kvb s PHE 693 Ca 0.07 0.36 0.08 0.00 -0.60 0.00 0.00 56.93 56.84 2kvb s PHE 693 Cb -0.15 -2.25 -0.04 0.00 0.51 0.00 0.00 43.02 41.09 2kvb s PHE 693 CO 0.07 0.19 -0.13 -0.51 0.70 0.00 0.00 175.22 175.55 2kvb s LEU 694 N 0.66 2.91 -0.42 -0.37 2.01 0.14 -3.78 118.68 119.83 2kvb s LEU 694 Ca 0.10 -0.50 -0.27 0.00 0.01 0.00 0.00 54.13 53.47 2kvb s LEU 694 Cb -0.12 -1.69 0.02 0.00 0.01 0.00 0.00 46.19 44.41 2kvb s LEU 694 CO 0.02 0.16 1.02 0.00 1.01 0.00 0.00 176.35 178.55 2kvb s ASP 696 N 2.13 -0.18 0.00 0.00 -1.08 -0.66 -4.83 116.67 112.05 2kvb s ASP 696 Ca 0.42 0.31 0.25 0.00 -0.52 0.00 0.00 52.55 53.01 2kvb s ASP 696 Cb -0.10 0.38 0.88 0.00 -1.46 0.00 0.00 42.92 42.61 2kvb s ASP 696 CO 0.24 -0.12 1.63 -1.14 0.52 0.00 0.00 175.17 176.31 2kvb n ARG 697 N 2.74 1.73 -2.94 4.34 3.00 -1.26 -0.99 116.66 123.28 2kvb n ARG 697 Ca -0.14 -1.09 -0.40 0.00 -0.00 0.00 0.00 57.85 56.22 2kvb n ARG 697 Cb 0.58 -1.44 -0.04 0.00 0.00 0.00 0.00 32.46 31.55 2kvb n ARG 697 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2kvb s ASP 698 N -1.79 7.19 0.00 6.15 2.15 -1.26 -3.43 116.67 125.67 2kvb s ASP 698 Ca 0.35 1.42 0.00 0.00 0.43 0.00 0.00 52.55 54.76 2kvb s ASP 698 Cb 0.19 -2.48 0.00 0.00 -0.30 0.00 0.00 42.92 40.34 2kvb s ASP 698 CO 0.30 -0.09 0.00 0.00 -0.17 0.00 0.00 175.17 175.22 2kvb n ALA 699 N 3.34 0.00 0.00 3.66 0.00 -1.26 -4.36 120.51 121.88 2kvb n ALA 699 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2kvb n ALA 699 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 2kvb n ALA 699 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kvb n GLY 700 N -1.27 2.22 0.29 0.00 0.00 -1.22 -4.07 105.19 101.14 2kvb n GLY 700 Ca 0.00 -0.11 -0.09 0.00 0.00 0.00 0.00 46.02 45.82 2kvb n GLY 700 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2kvb h VAL 701 N 0.00 1.26 0.00 1.61 3.04 -1.89 -2.62 116.25 117.65 2kvb h VAL 701 Ca 0.00 -1.22 0.00 0.00 -1.01 0.00 0.00 66.70 64.47 2kvb h VAL 701 Cb 0.00 0.94 0.00 0.00 -2.01 0.00 0.00 31.29 30.22 2kvb h VAL 701 CO 0.00 0.43 0.00 0.61 -1.01 0.00 0.00 177.57 177.60 2kvb n GLY 702 N -0.35 2.01 3.26 3.17 0.00 -1.25 -4.62 105.19 107.41 2kvb n GLY 702 Ca 0.02 -1.72 -0.29 0.00 0.00 0.00 0.00 46.02 44.03 2kvb n GLY 702 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2kvb s PHE 703 N -2.04 2.06 0.27 1.61 -0.71 -1.23 -4.91 117.98 113.04 2kvb s PHE 703 Ca 0.00 -0.39 -0.24 0.00 -1.04 0.00 0.00 56.93 55.26 2kvb s PHE 703 Cb 0.00 -1.31 -0.09 0.00 -1.21 0.00 0.00 43.02 40.41 2kvb s PHE 703 CO 0.00 -0.01 0.86 -1.25 -1.34 0.00 0.00 175.22 173.48 2kvb s PRO 704 N -0.64 4.50 -0.07 1.99 0.04 -1.26 -2.43 135.00 137.13 2kvb s PRO 704 Ca 0.09 1.19 0.04 0.00 0.04 0.00 0.00 61.00 62.36 2kvb s PRO 704 Cb -0.09 -2.90 -0.01 0.00 0.04 0.00 0.00 34.50 31.54 2kvb s PRO 704 CO -0.00 0.36 -0.21 -2.00 0.04 0.00 0.00 177.00 175.19 2kvb s GLU 705 N -1.88 2.75 -0.32 4.56 2.56 0.19 -4.80 118.70 121.75 2kvb s GLU 705 Ca 0.46 -0.82 -0.29 0.00 0.00 0.00 0.00 54.97 54.32 2kvb s GLU 705 Cb -0.19 -2.30 0.02 0.00 2.00 0.00 0.00 34.13 33.65 2kvb s GLU 705 CO 0.24 0.38 1.06 -0.47 -0.56 0.00 0.00 175.26 175.90 2kvb s TYR 706 N -0.12 3.15 0.00 5.30 5.04 -1.26 0.20 117.35 129.66 2kvb s TYR 706 Ca -0.04 1.17 0.00 0.00 -2.44 0.00 0.00 57.07 55.76 2kvb s TYR 706 Cb -0.14 -3.67 0.00 0.00 0.35 0.00 0.00 41.96 38.50 2kvb s TYR 706 CO 0.04 -0.76 0.00 1.04 -1.34 0.00 0.00 175.55 174.53 2kvb n GLN 707 N 6.84 0.00 -3.64 4.97 1.13 -0.86 -4.95 117.38 120.87 2kvb n GLN 707 Ca 0.11 0.06 -0.06 0.00 -1.94 0.00 0.00 57.00 55.18 2kvb n GLN 707 Cb 0.47 -0.39 -0.07 0.00 0.11 0.00 0.00 30.24 30.36 2kvb n GLN 707 CO 0.00 0.00 0.00 -1.83 -1.44 0.00 0.00 177.06 173.79 2kvb s GLU 708 N -0.23 0.60 -0.11 -1.09 -1.05 -1.22 -5.05 118.70 110.55 2kvb s GLU 708 Ca 0.00 1.01 -0.23 0.00 -0.15 0.00 0.00 54.97 55.60 2kvb s GLU 708 Cb 0.00 0.14 -0.03 0.00 -0.44 0.00 0.00 34.13 33.80 2kvb s GLU 708 CO 0.00 -0.12 0.71 -2.00 0.95 0.00 0.00 175.26 174.80 2kvb s GLU 709 N 1.42 4.37 0.00 -4.83 -6.30 -1.26 -3.21 118.70 108.90 2kvb s GLU 709 Ca -0.09 0.85 0.00 0.00 -2.50 0.00 0.00 54.97 53.24 2kvb s GLU 709 Cb -0.05 -3.49 0.00 0.00 0.00 0.00 0.00 34.13 30.59 2kvb s GLU 709 CO -0.17 -0.05 0.00 -3.47 0.02 0.00 0.00 175.26 171.59 2kvb n ASP 710 N 4.24 0.00 -1.36 -1.70 2.03 -1.26 -4.90 116.55 113.60 2kvb n ASP 710 Ca -0.00 0.00 -0.06 0.00 0.52 0.00 0.00 54.79 55.25 2kvb n ASP 710 Cb 0.51 0.00 0.10 0.00 -0.72 0.00 0.00 41.12 41.01 2kvb n ASP 710 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 2kvb n ASN 711 N -0.87 3.18 0.00 1.67 6.94 -1.26 -4.84 115.26 120.08 2kvb n ASN 711 Ca 0.00 -2.56 0.00 0.00 -0.02 0.00 0.00 54.58 52.00 2kvb n ASN 711 Cb 0.00 -0.62 0.00 0.00 -2.36 0.00 0.00 39.78 36.80 2kvb n ASN 711 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 2kvb n SER 712 N -0.03 -0.20 -3.92 0.53 3.41 -1.26 -4.93 113.62 107.21 2kvb n SER 712 Ca 0.20 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.66 2kvb n SER 712 Cb 0.87 -1.09 -0.14 0.00 -0.26 0.00 0.00 64.21 63.58 2kvb n SER 712 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2kvb s THR 713 N -2.68 0.28 -0.25 6.66 2.01 -1.26 -4.04 115.64 116.36 2kvb s THR 713 Ca 0.00 -0.13 -0.28 0.00 0.31 0.00 0.00 61.69 61.59 2kvb s THR 713 Cb 0.00 -0.25 0.01 0.00 0.01 0.00 0.00 72.50 72.27 2kvb s THR 713 CO 0.00 0.09 1.02 -0.31 -0.69 0.00 0.00 174.62 174.72 2kvb s TYR 714 N 0.02 3.29 -0.22 4.92 1.51 0.21 -4.10 117.35 122.99 2kvb s TYR 714 Ca 0.00 1.35 -0.09 0.00 -1.01 0.00 0.00 57.07 57.32 2kvb s TYR 714 Cb -0.03 -3.34 -0.05 0.00 -0.11 0.00 0.00 41.96 38.44 2kvb s TYR 714 CO -0.00 -0.54 0.12 -0.80 -1.11 0.00 0.00 175.55 173.22 2kvb s ASN 715 N 1.33 5.95 -0.03 2.29 -0.87 -1.20 0.25 114.94 122.67 2kvb s ASN 715 Ca 0.43 0.11 0.05 0.00 -1.57 0.00 0.00 52.86 51.88 2kvb s ASN 715 Cb -0.14 -2.05 -0.03 0.00 -0.02 0.00 0.00 41.25 39.01 2kvb s ASN 715 CO 0.08 0.12 -0.15 -0.36 -2.57 0.00 0.00 177.10 174.22 2kvb s PHE 716 N 0.74 2.66 -0.29 2.20 0.40 -0.64 -2.03 117.98 121.03 2kvb s PHE 716 Ca 0.06 -0.19 -0.09 0.00 -0.60 0.00 0.00 56.93 56.12 2kvb s PHE 716 Cb -0.13 -1.59 -0.02 0.00 0.51 0.00 0.00 43.02 41.80 2kvb s PHE 716 CO 0.02 0.20 0.13 0.50 0.70 0.00 0.00 175.22 176.77 2kvb s ARG 717 N -0.92 3.50 -0.16 0.44 3.52 0.13 0.18 118.95 125.64 2kvb s ARG 717 Ca 0.12 -0.60 -0.05 0.00 -0.13 0.00 0.00 55.73 55.07 2kvb s ARG 717 Cb -0.11 -3.50 -0.03 0.00 -1.56 0.00 0.00 34.95 29.75 2kvb s ARG 717 CO 0.02 -0.32 0.01 -0.46 -0.81 0.00 0.00 175.30 173.74 2kvb s TRP 718 N 1.63 3.14 -0.44 5.12 -0.11 0.15 0.52 118.94 128.95 2kvb s TRP 718 Ca 0.05 -0.08 -0.09 0.00 1.22 0.00 0.00 56.10 57.20 2kvb s TRP 718 Cb -0.16 -1.99 0.09 0.00 -1.50 0.00 0.00 33.47 29.91 2kvb s TRP 718 CO 0.06 0.11 0.29 0.71 -4.62 0.00 0.00 176.95 173.50 2kvb s TYR 719 N 0.20 3.37 0.01 5.86 2.02 -1.02 0.28 117.35 128.06 2kvb s TYR 719 Ca 0.01 -1.63 0.01 0.00 -0.37 0.00 0.00 57.07 55.09 2kvb s TYR 719 Cb -0.13 -3.13 -0.01 0.00 -0.40 0.00 0.00 41.96 38.29 2kvb s TYR 719 CO 0.02 -0.89 -0.04 -0.08 -1.57 0.00 0.00 175.55 172.98 2kvb s THR 720 N 1.41 0.29 0.27 -0.71 -1.32 0.74 -3.48 115.64 112.83 2kvb s THR 720 Ca 0.04 -0.33 0.24 0.00 -1.21 0.00 0.00 61.69 60.43 2kvb s THR 720 Cb -0.24 -0.28 0.24 0.00 -1.51 0.00 0.00 72.50 70.71 2kvb s THR 720 CO 0.01 -0.04 1.92 0.77 -2.21 0.00 0.00 174.62 175.08 2kvb h SER 721 N 5.73 0.00 0.54 8.08 4.64 -0.66 -1.67 113.55 130.21 2kvb h SER 721 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 2kvb h SER 721 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2kvb h SER 721 CO 0.48 0.20 0.00 -1.22 -0.87 0.00 0.00 176.83 175.43 2kvb n TYR 722 N -3.54 0.15 1.70 4.77 4.02 -1.26 -1.38 117.16 121.61 2kvb n TYR 722 Ca -0.01 0.06 0.15 0.00 -0.01 0.00 0.00 57.90 58.09 2kvb n TYR 722 Cb 0.35 -0.60 0.79 0.00 -0.02 0.00 0.00 39.34 39.87 2kvb n TYR 722 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2kvb n ALA 723 N -1.55 2.65 -2.72 -0.72 0.00 -1.00 -4.72 120.51 112.45 2kvb n ALA 723 Ca 0.03 -0.23 -0.32 0.00 0.00 0.00 0.00 53.44 52.92 2kvb n ALA 723 Cb 0.18 -1.43 -0.08 0.00 0.00 0.00 0.00 19.45 18.12 2kvb n ALA 723 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50