#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ifq s THR 629 N 0.00 4.32 -0.10 2.52 -1.32 -1.26 -4.97 115.64 114.82 3ifq s THR 629 Ca 0.00 2.04 0.03 0.00 -1.21 0.00 0.00 61.69 62.56 3ifq s THR 629 Cb 0.00 -4.31 0.00 0.00 -1.51 0.00 0.00 72.50 66.69 3ifq s THR 629 CO 0.00 0.41 -0.21 -0.13 -2.21 0.00 0.00 174.62 172.47 3ifq s ARG 630 N -0.56 2.80 -0.04 7.08 0.52 -1.26 -2.46 118.95 125.02 3ifq s ARG 630 Ca 0.43 -0.79 0.02 0.00 -0.52 0.00 0.00 55.73 54.88 3ifq s ARG 630 Cb -0.24 -2.18 0.01 0.00 0.52 0.00 0.00 34.95 33.06 3ifq s ARG 630 CO 0.30 0.10 -0.07 -0.80 0.02 0.00 0.00 175.30 174.85 3ifq s ASN 631 N 0.53 1.11 0.11 0.23 0.01 -1.02 -5.00 114.94 110.91 3ifq s ASN 631 Ca -0.15 -0.17 -0.22 0.00 -0.71 0.00 0.00 52.86 51.61 3ifq s ASN 631 Cb -0.17 -0.42 -0.07 0.00 0.41 0.00 0.00 41.25 41.00 3ifq s ASN 631 CO 0.05 0.01 0.66 -1.81 -1.51 0.00 0.00 177.10 174.51 3ifq s ASP 632 N 0.53 7.20 -0.26 -1.22 1.01 -1.26 0.29 116.67 122.96 3ifq s ASP 632 Ca -0.08 1.42 -0.04 0.00 0.71 0.00 0.00 52.55 54.57 3ifq s ASP 632 Cb -0.12 -2.42 0.01 0.00 1.01 0.00 0.00 42.92 41.41 3ifq s ASP 632 CO 0.01 0.23 -0.01 -0.69 0.21 0.00 0.00 175.17 174.92 3ifq s VAL 633 N -1.03 3.35 0.28 -1.27 1.01 0.57 -4.94 120.40 118.38 3ifq s VAL 633 Ca 0.32 -0.82 -0.30 0.00 0.00 0.00 0.00 61.98 61.19 3ifq s VAL 633 Cb -0.21 -2.68 -0.13 0.00 0.00 0.00 0.00 36.38 33.35 3ifq s VAL 633 CO 0.22 0.19 1.28 0.00 0.00 0.00 0.00 175.10 176.79 3ifq n ALA 634 N 4.76 0.83 -1.64 5.51 0.00 -1.26 -3.74 120.51 124.97 3ifq n ALA 634 Ca -0.16 0.39 -0.44 0.00 0.00 0.00 0.00 53.44 53.23 3ifq n ALA 634 Cb 0.48 -2.21 -0.01 0.00 0.00 0.00 0.00 19.45 17.71 3ifq n ALA 634 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3ifq n PRO 635 N 1.22 1.75 -3.72 0.00 -0.02 -1.26 -4.96 135.00 128.02 3ifq n PRO 635 Ca 0.09 0.61 -0.35 0.00 -2.02 0.00 0.00 63.50 61.83 3ifq n PRO 635 Cb 0.33 -2.11 -0.08 0.00 -0.02 0.00 0.00 33.50 31.61 3ifq n PRO 635 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 3ifq s THR 636 N -0.90 5.40 -0.95 3.45 -1.32 -1.26 -4.48 115.64 115.58 3ifq s THR 636 Ca 0.59 0.19 -0.06 0.00 -1.21 0.00 0.00 61.69 61.20 3ifq s THR 636 Cb -0.65 -3.48 0.06 0.00 -1.51 0.00 0.00 72.50 66.92 3ifq s THR 636 CO 0.59 0.42 0.26 0.00 -2.21 0.00 0.00 174.62 173.69 3ifq n LEU 637 N 3.67 -0.96 -4.77 9.08 -0.00 -1.26 -4.92 117.00 117.83 3ifq n LEU 637 Ca -0.16 -0.12 -0.38 0.00 -0.00 0.00 0.00 56.01 55.36 3ifq n LEU 637 Cb 0.52 -1.77 -0.06 0.00 -0.00 0.00 0.00 43.42 42.12 3ifq n LEU 637 CO 0.37 0.05 0.68 -0.04 -0.00 0.00 0.00 177.39 178.45 3ifq s MET 638 N -5.66 4.56 -0.51 1.47 -1.94 -1.26 -4.97 119.30 110.99 3ifq s MET 638 Ca 0.25 1.45 -0.28 0.00 -1.71 0.00 0.00 55.69 55.41 3ifq s MET 638 Cb -0.14 -2.89 0.00 0.00 2.01 0.00 0.00 34.83 33.82 3ifq s MET 638 CO 0.31 0.23 1.56 0.45 -0.01 0.00 0.00 175.02 177.57 3ifq s SER 639 N -1.43 5.96 0.35 3.03 0.15 -1.26 -4.92 113.70 115.57 3ifq s SER 639 Ca 0.49 0.56 -0.29 0.00 0.70 0.00 0.00 55.95 57.41 3ifq s SER 639 Cb -0.22 -2.54 -0.11 0.00 -1.71 0.00 0.00 66.02 61.44 3ifq s SER 639 CO 0.28 -1.79 1.53 0.52 1.20 0.00 0.00 173.24 174.98 3ifq n VAL 640 N 7.06 1.67 -1.99 4.45 0.31 -1.26 -4.53 118.33 124.04 3ifq n VAL 640 Ca 0.16 -0.42 -0.42 0.00 -0.01 0.00 0.00 64.34 63.65 3ifq n VAL 640 Cb 0.49 -1.98 -0.03 0.00 -0.91 0.00 0.00 33.84 31.41 3ifq n VAL 640 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3ifq s PRO 641 N -1.57 4.04 -0.11 5.55 0.04 -1.26 -5.00 135.00 136.69 3ifq s PRO 641 Ca 0.57 2.10 -0.19 0.00 0.04 0.00 0.00 61.00 63.51 3ifq s PRO 641 Cb -0.48 -4.03 -0.04 0.00 0.04 0.00 0.00 34.50 29.99 3ifq s PRO 641 CO 0.59 -1.02 0.52 -0.65 0.04 0.00 0.00 177.00 176.48 3ifq s GLN 642 N 4.32 4.36 0.15 4.56 -0.21 -1.26 -5.01 119.66 126.57 3ifq s GLN 642 Ca 0.75 0.54 0.04 0.00 0.02 0.00 0.00 55.36 56.71 3ifq s GLN 642 Cb -0.32 -3.44 -0.04 0.00 1.00 0.00 0.00 33.01 30.22 3ifq s GLN 642 CO 0.31 0.15 0.18 0.71 -2.12 0.00 0.00 175.29 174.51 3ifq s TYR 643 N 0.64 3.27 0.19 0.91 1.51 -1.26 -4.90 117.35 117.71 3ifq s TYR 643 Ca 0.28 0.04 -0.30 0.00 -1.01 0.00 0.00 57.07 56.09 3ifq s TYR 643 Cb -0.16 -1.58 -0.08 0.00 -0.11 0.00 0.00 41.96 40.04 3ifq s TYR 643 CO 0.12 0.52 0.98 0.50 -1.11 0.00 0.00 175.55 176.56 3ifq s ARG 644 N -3.03 4.75 0.79 -0.62 3.52 -1.26 -5.03 118.95 118.08 3ifq s ARG 644 Ca 0.32 1.54 -0.15 0.00 -0.13 0.00 0.00 55.73 57.31 3ifq s ARG 644 Cb -0.11 -3.30 0.02 0.00 -1.56 0.00 0.00 34.95 30.00 3ifq s ARG 644 CO 0.25 0.33 0.79 -2.30 -0.81 0.00 0.00 175.30 173.56 3ifq n PRO 645 N 2.00 0.18 -2.43 5.12 -0.02 -1.26 -4.93 135.00 133.66 3ifq n PRO 645 Ca 0.00 0.12 -0.42 0.00 -2.02 0.00 0.00 63.50 61.18 3ifq n PRO 645 Cb 0.47 -2.09 -0.03 0.00 -0.02 0.00 0.00 33.50 31.83 3ifq n PRO 645 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3ifq s ARG 646 N -3.46 4.49 0.78 -0.52 3.52 -1.26 -5.02 118.95 117.47 3ifq s ARG 646 Ca 0.68 1.78 -0.11 0.00 -0.13 0.00 0.00 55.73 57.95 3ifq s ARG 646 Cb -0.30 -3.30 0.06 0.00 -1.56 0.00 0.00 34.95 29.84 3ifq s ARG 646 CO 0.56 -0.13 1.08 -1.25 -0.81 0.00 0.00 175.30 174.75 3ifq s PRO 647 N 0.40 2.25 -0.05 5.12 0.04 -1.26 -4.98 135.00 136.52 3ifq s PRO 647 Ca 0.55 0.97 0.21 0.00 0.04 0.00 0.00 61.00 62.78 3ifq s PRO 647 Cb -0.30 -1.91 -0.31 0.00 0.04 0.00 0.00 34.50 32.02 3ifq s PRO 647 CO 0.32 -1.59 0.43 0.00 0.04 0.00 0.00 177.00 176.21 3ifq n ALA 648 N -3.46 2.55 -2.86 8.56 0.00 -1.26 -4.95 120.51 119.09 3ifq n ALA 648 Ca 0.08 -0.65 -0.33 0.00 0.00 0.00 0.00 53.44 52.53 3ifq n ALA 648 Cb 0.54 -0.67 -0.06 0.00 0.00 0.00 0.00 19.45 19.27 3ifq n ALA 648 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3ifq s ASN 649 N -4.74 6.12 0.23 0.00 2.20 -1.26 -5.04 114.94 112.46 3ifq s ASN 649 Ca -0.08 0.27 -0.05 0.00 -0.94 0.00 0.00 52.86 52.07 3ifq s ASN 649 Cb 0.12 -1.87 0.24 0.00 -2.00 0.00 0.00 41.25 37.74 3ifq s ASN 649 CO 0.89 0.27 1.73 -0.65 -2.94 0.00 0.00 177.10 176.39 3ifq h PRO 650 N 3.91 0.92 0.00 3.55 0.11 -2.01 -3.17 132.00 135.31 3ifq h PRO 650 Ca -0.49 -0.25 -0.01 0.00 0.11 0.00 0.00 66.00 65.36 3ifq h PRO 650 Cb 1.19 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 3ifq h PRO 650 CO 0.67 0.89 -0.03 0.38 -0.21 0.00 0.00 178.00 179.70 3ifq h ASP 651 N 0.86 0.00 -0.50 -2.05 3.04 -2.02 -0.38 116.42 115.38 3ifq h ASP 651 Ca 0.17 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.96 3ifq h ASP 651 Cb 0.46 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.75 3ifq h ASP 651 CO 0.02 0.03 0.00 -0.62 -2.04 0.00 0.00 179.24 176.63 3ifq n GLU 652 N -3.69 2.57 0.13 4.15 1.02 -1.20 -4.30 120.64 119.32 3ifq n GLU 652 Ca -0.03 -2.39 -0.02 0.00 -0.02 0.00 0.00 57.16 54.71 3ifq n GLU 652 Cb 0.12 -1.53 0.21 0.00 -0.02 0.00 0.00 31.44 30.22 3ifq n GLU 652 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 3ifq h ILE 653 N 4.40 1.37 0.06 -3.67 6.09 -1.13 -0.30 117.51 124.33 3ifq h ILE 653 Ca 0.00 -1.80 -0.00 0.00 -1.37 0.00 0.00 64.86 61.68 3ifq h ILE 653 Cb 0.98 1.93 0.00 0.00 0.47 0.00 0.00 36.82 40.20 3ifq h ILE 653 CO 0.00 0.52 -0.03 1.23 -3.07 0.00 0.00 178.15 176.81 3ifq h GLY 654 N 1.50 -0.08 0.98 8.18 0.00 -1.75 -1.73 103.07 110.18 3ifq h GLY 654 Ca -0.00 0.03 0.05 0.00 0.00 0.00 0.00 47.33 47.41 3ifq h GLY 654 CO 0.07 -0.03 0.55 -0.57 0.00 0.00 0.00 176.54 176.57 3ifq h ASN 655 N -0.55 0.86 -0.10 0.19 -0.73 -1.80 -0.90 115.58 112.56 3ifq h ASN 655 Ca -0.01 -0.00 0.01 0.00 1.87 0.00 0.00 56.30 58.17 3ifq h ASN 655 Cb 0.48 -0.19 -0.01 0.00 0.27 0.00 0.00 38.32 38.87 3ifq h ASN 655 CO 0.01 0.58 0.02 0.15 -0.37 0.00 0.00 177.43 177.82 3ifq h PHE 656 N 0.99 0.03 -0.70 0.67 3.57 -0.96 0.15 116.94 120.70 3ifq h PHE 656 Ca 0.35 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.85 3ifq h PHE 656 Cb 0.12 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.83 3ifq h PHE 656 CO -0.00 0.01 0.40 0.82 -2.23 0.00 0.00 178.31 177.31 3ifq h ILE 657 N 0.06 1.21 -0.13 1.41 2.04 -0.72 -1.41 117.51 119.97 3ifq h ILE 657 Ca 0.04 -0.50 -0.00 0.00 1.00 0.00 0.00 64.86 65.40 3ifq h ILE 657 Cb 0.04 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.38 3ifq h ILE 657 CO -0.06 0.23 0.08 0.44 0.00 0.00 0.00 178.15 178.83 3ifq h ASP 658 N 0.96 0.16 0.40 1.72 5.19 -0.91 0.17 116.42 124.11 3ifq h ASP 658 Ca 0.25 -0.07 -0.02 0.00 -0.62 0.00 0.00 57.03 56.57 3ifq h ASP 658 Cb 0.01 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 39.48 3ifq h ASP 658 CO -0.04 0.18 -0.19 -0.08 -3.12 0.00 0.00 179.24 175.99 3ifq h GLU 659 N 0.13 -0.52 0.00 3.56 4.81 -0.74 -2.47 114.58 119.36 3ifq h GLU 659 Ca 0.05 0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 3ifq h GLU 659 Cb 0.05 0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.55 3ifq h GLU 659 CO -0.01 -0.34 -0.03 -0.91 -0.73 0.00 0.00 179.01 176.99 3ifq h ASN 660 N -0.53 0.00 -0.67 1.04 4.21 -1.24 -2.36 115.58 116.03 3ifq h ASN 660 Ca -0.05 0.00 -0.06 0.00 1.21 0.00 0.00 56.30 57.39 3ifq h ASN 660 Cb 0.41 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.58 3ifq h ASN 660 CO 0.09 0.03 0.17 0.25 -1.29 0.00 0.00 177.43 176.67 3ifq h LEU 661 N 0.00 1.01 -0.87 1.61 5.85 -0.19 -2.61 115.31 120.12 3ifq h LEU 661 Ca -0.00 -0.23 -0.10 0.00 0.84 0.00 0.00 57.88 58.39 3ifq h LEU 661 Cb 0.42 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 3ifq h LEU 661 CO 0.00 0.98 -0.23 0.11 -0.34 0.00 0.00 178.44 178.96 3ifq h LYS 662 N 1.00 0.58 -0.44 1.25 1.57 -1.16 -0.84 116.57 118.53 3ifq h LYS 662 Ca 0.21 -0.22 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 3ifq h LYS 662 Cb 0.36 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 3ifq h LYS 662 CO 0.00 0.77 0.15 0.00 -0.57 0.00 0.00 179.45 179.80 3ifq h ALA 663 N 1.24 0.58 -0.26 3.86 0.00 -1.51 -3.11 119.26 120.06 3ifq h ALA 663 Ca 0.08 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3ifq h ALA 663 Cb 0.68 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3ifq h ALA 663 CO 0.05 0.21 0.06 0.00 0.00 0.00 0.00 179.25 179.58 3ifq h ALA 664 N 1.00 0.35 0.00 0.00 0.00 -1.12 -2.84 119.26 116.65 3ifq h ALA 664 Ca 0.14 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3ifq h ALA 664 Cb 0.24 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3ifq h ALA 664 CO -0.01 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.00 3ifq n ASP 665 N -4.70 0.00 -0.86 0.00 8.00 -0.35 -2.04 116.55 116.59 3ifq n ASP 665 Ca -0.03 0.13 0.05 0.00 0.71 0.00 0.00 54.79 55.66 3ifq n ASP 665 Cb 0.18 -0.29 0.13 0.00 -0.02 0.00 0.00 41.12 41.12 3ifq n ASP 665 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3ifq n SER 666 N -1.29 1.44 -4.60 -2.24 7.64 -1.08 -5.03 113.62 108.45 3ifq n SER 666 Ca 0.05 -3.11 -0.43 0.00 1.01 0.00 0.00 58.87 56.39 3ifq n SER 666 Cb 0.09 -0.43 -0.02 0.00 -1.01 0.00 0.00 64.21 62.84 3ifq n SER 666 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3ifq s ASP 667 N -2.69 6.25 0.29 6.43 -1.08 -0.86 -4.87 116.67 120.14 3ifq s ASP 667 Ca 0.34 0.88 0.26 0.00 -0.52 0.00 0.00 52.55 53.51 3ifq s ASP 667 Cb 0.35 -2.54 0.87 0.00 -1.46 0.00 0.00 42.92 40.14 3ifq s ASP 667 CO -0.09 -1.49 1.76 -0.65 0.52 0.00 0.00 175.17 175.21 3ifq h PRO 668 N 11.09 0.00 0.00 4.34 0.11 -1.91 -3.05 132.00 142.57 3ifq h PRO 668 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3ifq h PRO 668 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3ifq h PRO 668 CO 1.08 0.00 -0.05 1.79 -0.21 0.00 0.00 178.00 180.61 3ifq h THR 669 N 0.00 0.00 -3.89 -1.15 1.35 -1.89 -3.46 112.91 103.86 3ifq h THR 669 Ca 0.00 -0.96 -0.48 0.00 -0.55 0.00 0.00 66.41 64.42 3ifq h THR 669 Cb 0.63 1.93 -0.00 0.00 -1.73 0.00 0.00 68.15 68.98 3ifq h THR 669 CO 0.00 0.00 0.39 0.00 -0.25 0.00 0.00 175.52 175.66 3ifq s ALA 670 N -3.21 3.20 1.00 6.62 0.00 -1.16 -4.79 121.76 123.43 3ifq s ALA 670 Ca 0.07 0.65 -0.15 0.00 0.00 0.00 0.00 51.96 52.53 3ifq s ALA 670 Cb 0.06 -3.24 0.02 0.00 0.00 0.00 0.00 23.12 19.96 3ifq s ALA 670 CO 0.67 -0.02 0.08 -2.30 0.00 0.00 0.00 175.76 174.19 3ifq n PRO 671 N 0.47 -0.56 -2.64 0.00 -0.02 -1.26 -4.76 135.00 126.23 3ifq n PRO 671 Ca 0.02 -0.13 -0.37 0.00 -2.02 0.00 0.00 63.50 61.00 3ifq n PRO 671 Cb 0.49 -1.68 -0.05 0.00 -0.02 0.00 0.00 33.50 32.24 3ifq n PRO 671 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 3ifq s PRO 672 N -3.33 4.40 0.31 0.52 0.02 -1.26 -5.10 135.00 130.57 3ifq s PRO 672 Ca 0.54 1.46 -0.08 0.00 0.02 0.00 0.00 61.00 62.94 3ifq s PRO 672 Cb -0.17 -2.73 -0.06 0.00 0.02 0.00 0.00 34.50 31.56 3ifq s PRO 672 CO 0.69 0.09 0.62 0.71 -0.33 0.00 0.00 177.00 178.78 3ifq s TYR 673 N -1.59 3.46 0.78 6.54 2.02 -1.26 -5.04 117.35 122.26 3ifq s TYR 673 Ca 0.53 0.84 -0.13 0.00 -0.37 0.00 0.00 57.07 57.94 3ifq s TYR 673 Cb -0.21 -2.26 0.07 0.00 -0.40 0.00 0.00 41.96 39.15 3ifq s TYR 673 CO 0.27 0.11 1.15 -0.51 -1.57 0.00 0.00 175.55 175.00 3ifq s ASP 674 N -2.93 4.04 0.24 2.29 1.11 -1.24 -4.79 116.67 115.38 3ifq s ASP 674 Ca 0.47 2.14 0.08 0.00 0.18 0.00 0.00 52.55 55.42 3ifq s ASP 674 Cb -0.11 -2.56 -0.05 0.00 1.07 0.00 0.00 42.92 41.27 3ifq s ASP 674 CO 0.28 -2.35 -0.12 -0.94 1.18 0.00 0.00 175.17 173.21 3ifq s SER 675 N -2.59 2.75 0.13 0.27 1.04 -1.26 -0.31 113.70 113.73 3ifq s SER 675 Ca 0.68 -1.08 0.10 0.00 0.48 0.00 0.00 55.95 56.13 3ifq s SER 675 Cb -0.23 -0.16 -0.04 0.00 0.10 0.00 0.00 66.02 65.68 3ifq s SER 675 CO 0.50 -0.21 -0.22 -0.76 0.98 0.00 0.00 173.24 173.53 3ifq s LEU 676 N -3.38 2.51 -0.37 2.42 1.43 0.15 -4.90 118.68 116.53 3ifq s LEU 676 Ca 0.26 -0.68 0.01 0.00 -1.03 0.00 0.00 54.13 52.69 3ifq s LEU 676 Cb 0.00 -1.36 0.11 0.00 0.03 0.00 0.00 46.19 44.97 3ifq s LEU 676 CO 0.09 0.17 0.15 -0.76 0.23 0.00 0.00 176.35 176.23 3ifq s LEU 677 N -2.19 2.99 -0.69 1.79 1.43 -1.26 -2.44 118.68 118.31 3ifq s LEU 677 Ca 0.17 -2.16 -0.26 0.00 -1.03 0.00 0.00 54.13 50.84 3ifq s LEU 677 Cb -0.10 -1.11 -0.03 0.00 0.03 0.00 0.00 46.19 44.98 3ifq s LEU 677 CO 0.08 -0.35 1.88 -0.69 0.23 0.00 0.00 176.35 177.50 3ifq s VAL 678 N 0.93 3.38 0.39 -1.59 1.01 -1.03 -4.96 120.40 118.53 3ifq s VAL 678 Ca 0.13 0.05 -0.23 0.00 0.00 0.00 0.00 61.98 61.94 3ifq s VAL 678 Cb -0.21 -3.97 -0.11 0.00 0.00 0.00 0.00 36.38 32.10 3ifq s VAL 678 CO -0.12 -0.93 0.94 -0.36 0.00 0.00 0.00 175.10 174.64 3ifq s PHE 679 N 9.29 3.46 -0.36 5.22 0.40 -1.26 -4.31 117.98 130.42 3ifq s PHE 679 Ca 0.67 1.67 0.13 0.00 -0.60 0.00 0.00 56.93 58.81 3ifq s PHE 679 Cb -0.11 -2.87 0.42 0.00 0.51 0.00 0.00 43.02 40.97 3ifq s PHE 679 CO 0.15 0.02 1.27 -0.40 0.70 0.00 0.00 175.22 176.95 3ifq n ASP 680 N -0.17 -0.70 -4.60 1.36 5.68 -1.26 -5.09 116.55 111.76 3ifq n ASP 680 Ca 0.05 -2.45 -0.43 0.00 -0.50 0.00 0.00 54.79 51.46 3ifq n ASP 680 Cb 0.52 0.45 -0.02 0.00 -1.14 0.00 0.00 41.12 40.93 3ifq n ASP 680 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 3ifq s TYR 681 N -0.98 2.09 -0.36 2.11 5.04 -1.26 -4.88 117.35 119.11 3ifq s TYR 681 Ca 0.21 0.64 0.03 0.00 -2.44 0.00 0.00 57.07 55.51 3ifq s TYR 681 Cb 0.42 -4.20 0.53 0.00 0.35 0.00 0.00 41.96 39.06 3ifq s TYR 681 CO -0.06 -2.53 1.74 -1.91 -1.34 0.00 0.00 175.55 171.46 3ifq n GLU 682 N 8.22 2.01 0.00 4.97 2.13 -1.26 -5.21 120.64 131.50 3ifq n GLU 682 Ca 0.20 -2.41 0.00 0.00 0.66 0.00 0.00 57.16 55.61 3ifq n GLU 682 Cb 0.47 -1.95 0.00 0.00 0.27 0.00 0.00 31.44 30.24 3ifq n GLU 682 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3ifq n GLY 683 N -0.81 3.01 2.91 8.31 0.00 -1.26 -5.30 105.19 112.05 3ifq n GLY 683 Ca 0.48 -0.21 -0.26 0.00 0.00 0.00 0.00 46.02 46.03 3ifq n GLY 683 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ifq s GLY 685 N 0.00 0.81 -0.01 -0.02 0.00 -1.26 -5.27 107.32 101.58 3ifq s GLY 685 Ca 0.00 -0.52 0.02 0.00 0.00 0.00 0.00 44.72 44.22 3ifq s GLY 685 CO 0.00 0.77 -0.08 -0.54 0.00 0.00 0.00 173.10 173.26 3ifq s GLU 687 N 1.64 0.64 -0.19 2.90 2.02 -1.26 -5.24 118.70 119.20 3ifq s GLU 687 Ca 0.04 -0.27 -0.31 0.00 0.02 0.00 0.00 54.97 54.45 3ifq s GLU 687 Cb -0.13 -0.62 -0.08 0.00 0.10 0.00 0.00 34.13 33.41 3ifq s GLU 687 CO -0.07 0.16 2.14 0.00 0.02 0.00 0.00 175.26 177.50 3ifq n ALA 688 N 2.93 1.49 -2.57 5.21 0.00 -1.26 -4.90 120.51 121.40 3ifq n ALA 688 Ca -0.14 -0.08 -0.43 0.00 0.00 0.00 0.00 53.44 52.80 3ifq n ALA 688 Cb 0.57 -2.76 -0.04 0.00 0.00 0.00 0.00 19.45 17.23 3ifq n ALA 688 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ifq s ALA 689 N 7.03 3.23 -0.58 0.00 0.00 -1.26 -4.58 121.76 125.60 3ifq s ALA 689 Ca 1.00 -0.76 -0.21 0.00 0.00 0.00 0.00 51.96 51.99 3ifq s ALA 689 Cb -0.51 -3.66 0.03 0.00 0.00 0.00 0.00 23.12 18.99 3ifq s ALA 689 CO 0.41 -2.06 0.64 0.43 0.00 0.00 0.00 175.76 175.18 3ifq n SER 690 N 7.20 -5.89 0.00 0.00 7.64 -1.26 -5.23 113.62 116.08 3ifq n SER 690 Ca 0.07 -0.28 0.00 0.00 1.01 0.00 0.00 58.87 59.66 3ifq n SER 690 Cb 0.49 -2.56 0.00 0.00 -1.01 0.00 0.00 64.21 61.13 3ifq n SER 690 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3ifq n LEU 691 N -1.06 0.00 -4.24 -3.43 4.77 -1.26 -5.28 117.00 106.50 3ifq n LEU 691 Ca -0.12 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.71 3ifq n LEU 691 Cb 0.64 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.62 3ifq n LEU 691 CO 0.57 0.00 -0.42 -0.94 -1.33 0.00 0.00 177.39 175.27 3ifq s SER 693 N -1.00 1.85 0.03 -1.43 1.04 -1.26 -5.19 113.70 107.74 3ifq s SER 693 Ca 0.00 -0.94 0.24 0.00 0.48 0.00 0.00 55.95 55.73 3ifq s SER 693 Cb 0.00 -0.03 0.32 0.00 0.10 0.00 0.00 66.02 66.41 3ifq s SER 693 CO 0.00 -0.27 1.27 0.18 0.98 0.00 0.00 173.24 175.40 3ifq n LEU 694 N 0.05 0.60 0.00 2.42 4.77 -1.26 -5.34 117.00 118.24 3ifq n LEU 694 Ca -0.12 -0.01 -0.23 0.00 -0.03 0.00 0.00 56.01 55.62 3ifq n LEU 694 Cb 0.59 -0.18 -0.06 0.00 -2.33 0.00 0.00 43.42 41.44 3ifq n LEU 694 CO 0.31 0.09 -0.16 0.59 -1.33 0.00 0.00 177.39 176.89 3ifq n ASN 695 N -1.70 1.83 0.00 -1.43 3.02 -1.26 -5.41 115.26 110.31 3ifq n ASN 695 Ca 0.04 -2.82 0.00 0.00 -0.03 0.00 0.00 54.58 51.77 3ifq n ASN 695 Cb 0.37 0.67 0.00 0.00 -0.61 0.00 0.00 39.78 40.22 3ifq n ASN 695 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3ifq n SER 699 N -1.49 0.00 -4.12 6.41 3.41 -1.26 -5.35 113.62 111.21 3ifq n SER 699 Ca -0.09 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.14 3ifq n SER 699 Cb 0.52 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.38 3ifq n SER 699 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3ifq s ASP 700 N 0.00 5.41 0.76 4.04 1.11 -1.26 -5.08 116.67 121.65 3ifq s ASP 700 Ca 0.00 -2.78 -0.03 0.00 0.18 0.00 0.00 52.55 49.92 3ifq s ASP 700 Cb 0.00 -1.89 0.14 0.00 1.07 0.00 0.00 42.92 42.23 3ifq s ASP 700 CO 0.00 -0.41 1.05 -1.10 1.18 0.00 0.00 175.17 175.89 3ifq s GLN 701 N 0.05 1.52 0.09 8.23 -0.21 -1.26 -5.05 119.66 123.02 3ifq s GLN 701 Ca 0.16 -1.01 -0.30 0.00 0.02 0.00 0.00 55.36 54.24 3ifq s GLN 701 Cb -0.19 -2.26 -0.06 0.00 1.00 0.00 0.00 33.01 31.50 3ifq s GLN 701 CO -0.04 -1.60 1.08 -0.51 -2.12 0.00 0.00 175.29 172.10 3ifq s ASP 702 N -4.76 7.27 -0.45 5.90 1.01 -1.26 -5.02 116.67 119.36 3ifq s ASP 702 Ca 0.67 1.91 0.03 0.00 0.71 0.00 0.00 52.55 55.87 3ifq s ASP 702 Cb -0.05 -2.59 0.13 0.00 1.01 0.00 0.00 42.92 41.42 3ifq s ASP 702 CO 0.46 -0.28 0.21 -1.10 0.21 0.00 0.00 175.17 174.67 3ifq s GLN 703 N 0.47 1.58 -0.05 8.23 -0.21 -1.26 -5.08 119.66 123.33 3ifq s GLN 703 Ca 0.52 -2.20 0.06 0.00 0.02 0.00 0.00 55.36 53.77 3ifq s GLN 703 Cb -0.26 -2.86 -0.02 0.00 1.00 0.00 0.00 33.01 30.87 3ifq s GLN 703 CO 0.31 -1.10 -0.23 -0.51 -2.12 0.00 0.00 175.29 171.64 3ifq s ASP 704 N 0.23 3.25 -1.14 5.90 1.01 -1.26 -5.05 116.67 119.61 3ifq s ASP 704 Ca 0.16 -0.44 -0.03 0.00 0.71 0.00 0.00 52.55 52.94 3ifq s ASP 704 Cb -0.24 -0.71 0.25 0.00 1.01 0.00 0.00 42.92 43.23 3ifq s ASP 704 CO -0.03 0.28 1.93 -1.22 0.21 0.00 0.00 175.17 176.35 3ifq n TYR 705 N 2.71 2.65 -0.03 4.23 4.02 -1.26 -4.69 117.16 124.79 3ifq n TYR 705 Ca -0.17 -2.65 -0.11 0.00 -0.01 0.00 0.00 57.90 54.96 3ifq n TYR 705 Cb 0.52 -1.44 0.03 0.00 -0.02 0.00 0.00 39.34 38.43 3ifq n TYR 705 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 3ifq h ASP 706 N 4.61 0.75 0.02 7.72 3.32 -2.04 -3.21 116.42 127.59 3ifq h ASP 706 Ca 0.52 -0.38 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 3ifq h ASP 706 Cb 0.38 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.72 3ifq h ASP 706 CO 1.32 1.12 -0.00 0.10 -1.72 0.00 0.00 179.24 180.05 3ifq h TYR 707 N 0.54 0.00 -0.26 4.55 -0.00 -1.99 -2.69 116.97 117.12 3ifq h TYR 707 Ca 0.02 0.00 0.02 0.00 -0.00 0.00 0.00 58.73 58.78 3ifq h TYR 707 Cb 1.06 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.77 3ifq h TYR 707 CO 0.05 0.00 0.17 -0.07 -0.00 0.00 0.00 178.16 178.32 3ifq h LEU 708 N 0.00 0.22 -0.98 0.10 3.38 -1.94 -2.29 115.31 113.80 3ifq h LEU 708 Ca -0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ifq h LEU 708 Cb 0.02 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3ifq h LEU 708 CO 0.00 0.15 0.00 0.78 0.09 0.00 0.00 178.44 179.46 3ifq h ASN 709 N 0.26 0.00 -1.47 -0.43 2.35 -1.72 -3.20 115.58 111.37 3ifq h ASN 709 Ca 0.10 0.00 -0.61 0.00 -0.55 0.00 0.00 56.30 55.25 3ifq h ASN 709 Cb 0.11 0.00 -0.40 0.00 0.05 0.00 0.00 38.32 38.07 3ifq h ASN 709 CO -0.02 0.00 -0.51 -0.62 -1.65 0.00 0.00 177.43 174.63 3ifq n GLU 710 N -2.54 3.36 -0.86 0.81 4.71 -0.86 -4.66 120.64 120.61 3ifq n GLU 710 Ca 0.02 -4.33 0.05 0.00 -0.01 0.00 0.00 57.16 52.88 3ifq n GLU 710 Cb 0.26 -2.26 0.12 0.00 -1.01 0.00 0.00 31.44 28.55 3ifq n GLU 710 CO 0.00 0.00 0.00 0.91 0.09 0.00 0.00 177.13 178.13 3ifq n TRP 711 N -0.52 0.00 0.00 -0.32 8.01 -1.21 -5.09 117.44 118.31 3ifq n TRP 711 Ca 0.42 -0.98 0.00 0.00 -1.31 0.00 0.00 57.50 55.63 3ifq n TRP 711 Cb 0.65 -0.19 0.00 0.00 -2.01 0.00 0.00 31.31 29.76 3ifq n TRP 711 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3ifq n GLY 712 N -0.50 2.60 0.00 6.99 0.00 -1.26 -4.34 105.19 108.68 3ifq n GLY 712 Ca 0.13 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.84 3ifq n GLY 712 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3ifq n ASN 713 N 8.22 0.00 0.00 1.61 0.23 -1.26 -4.32 115.26 119.74 3ifq n ASN 713 Ca 0.00 0.26 0.05 0.00 -0.53 0.00 0.00 54.58 54.36 3ifq n ASN 713 Cb 0.00 -0.29 0.30 0.00 -2.08 0.00 0.00 39.78 37.71 3ifq n ASN 713 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 3ifq n ARG 714 N -1.46 0.62 0.00 -3.83 1.74 -1.26 -2.11 116.66 110.36 3ifq n ARG 714 Ca 0.00 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.16 3ifq n ARG 714 Cb 0.00 -1.26 -0.06 0.00 -1.02 0.00 0.00 32.46 30.12 3ifq n ARG 714 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3ifq n PHE 715 N -0.76 0.00 0.28 -1.55 3.01 -1.26 -4.22 117.46 112.96 3ifq n PHE 715 Ca 0.08 0.00 0.17 0.00 1.01 0.00 0.00 57.45 58.70 3ifq n PHE 715 Cb 0.03 0.00 0.71 0.00 -0.01 0.00 0.00 39.48 40.21 3ifq n PHE 715 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 3ifq h LYS 716 N 0.70 0.00 -0.27 -1.08 2.10 -1.61 -1.11 116.57 115.29 3ifq h LYS 716 Ca 0.00 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.61 3ifq h LYS 716 Cb 0.46 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.78 3ifq h LYS 716 CO 0.00 0.03 0.03 0.87 -2.00 0.00 0.00 179.45 178.38 3ifq h LYS 717 N 0.00 0.46 -0.16 0.07 1.57 -1.77 -1.14 116.57 115.60 3ifq h LYS 717 Ca -0.00 -0.13 -0.13 0.00 -1.87 0.00 0.00 60.65 58.52 3ifq h LYS 717 Cb 0.49 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 3ifq h LYS 717 CO 0.00 0.59 -0.46 -0.07 -0.57 0.00 0.00 179.45 178.94 3ifq h LEU 718 N 0.26 0.42 -1.49 2.94 3.38 -1.70 -2.93 115.31 116.19 3ifq h LEU 718 Ca 0.08 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 3ifq h LEU 718 Cb 0.36 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3ifq h LEU 718 CO 0.01 0.82 -0.17 0.00 0.09 0.00 0.00 178.44 179.19 3ifq h ALA 719 N 1.20 1.58 0.00 1.53 0.00 -1.02 -1.14 119.26 121.41 3ifq h ALA 719 Ca 0.02 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 3ifq h ALA 719 Cb 0.93 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 3ifq h ALA 719 CO 0.08 0.31 -0.27 -0.44 0.00 0.00 0.00 179.25 178.92 3ifq h ASP 720 N 0.12 0.00 -0.02 0.00 3.32 -1.01 -3.51 116.42 115.31 3ifq h ASP 720 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3ifq h ASP 720 Cb 0.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.92 3ifq h ASP 720 CO 0.02 0.27 0.00 0.23 -1.72 0.00 0.00 179.24 178.04