#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h8d s THR 676 N 0.00 3.30 0.86 2.61 -4.23 -1.26 -5.00 115.64 111.93 3h8d s THR 676 Ca 0.00 0.74 -0.12 0.00 -1.18 0.00 0.00 61.69 61.13 3h8d s THR 676 Cb 0.00 -3.27 0.10 0.00 1.34 0.00 0.00 72.50 70.68 3h8d s THR 676 CO 0.00 -0.24 1.11 -1.54 -0.54 0.00 0.00 174.62 173.41 3h8d n SER 677 N -1.60 0.49 0.10 3.99 3.41 -1.26 -4.80 113.62 113.96 3h8d n SER 677 Ca 0.11 0.50 0.01 0.00 -0.26 0.00 0.00 58.87 59.24 3h8d n SER 677 Cb 0.52 -1.47 0.35 0.00 -0.26 0.00 0.00 64.21 63.35 3h8d n SER 677 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3h8d h SER 678 N -1.33 0.26 -0.31 4.04 4.64 -1.99 -1.80 113.55 117.06 3h8d h SER 678 Ca -0.45 -0.06 -0.13 0.00 -0.47 0.00 0.00 61.79 60.69 3h8d h SER 678 Cb 1.29 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.30 3h8d h SER 678 CO 0.43 0.45 -0.26 0.00 -0.87 0.00 0.00 176.83 176.58 3h8d h ALA 679 N 1.58 0.80 -0.10 5.18 0.00 -1.99 -1.62 119.26 123.12 3h8d h ALA 679 Ca 0.05 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 3h8d h ALA 679 Cb 0.44 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 3h8d h ALA 679 CO 0.03 0.65 -0.08 0.35 0.00 0.00 0.00 179.25 180.19 3h8d h PHE 680 N 0.70 0.28 -0.92 0.00 3.57 -1.86 -1.57 116.94 117.13 3h8d h PHE 680 Ca 0.09 -0.08 0.07 0.00 3.53 0.00 0.00 57.97 61.58 3h8d h PHE 680 Cb 0.79 -0.06 -0.07 0.00 2.79 0.00 0.00 35.95 39.40 3h8d h PHE 680 CO 0.04 0.64 0.58 0.66 -2.23 0.00 0.00 178.31 178.00 3h8d h SER 681 N -0.16 0.91 0.29 0.41 4.64 -1.36 0.59 113.55 118.87 3h8d h SER 681 Ca 0.02 0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.35 3h8d h SER 681 Cb 0.58 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.49 3h8d h SER 681 CO 0.02 0.57 -0.20 0.28 -0.87 0.00 0.00 176.83 176.63 3h8d h SER 682 N 1.04 -0.52 -0.41 4.97 0.02 -1.32 -0.92 113.55 116.40 3h8d h SER 682 Ca 0.41 0.04 0.08 0.00 -0.84 0.00 0.00 61.79 61.48 3h8d h SER 682 Cb 0.21 0.16 -0.08 0.00 0.14 0.00 0.00 62.40 62.84 3h8d h SER 682 CO -0.19 -0.32 -0.08 0.22 -1.14 0.00 0.00 176.83 175.32 3h8d h TYR 683 N -0.49 -0.18 -0.06 3.45 3.20 -0.32 -2.43 116.97 120.14 3h8d h TYR 683 Ca -0.02 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 3h8d h TYR 683 Cb 0.42 0.14 -0.00 0.00 1.54 0.00 0.00 36.73 38.83 3h8d h TYR 683 CO -0.11 -0.16 -0.02 0.35 -1.64 0.00 0.00 178.16 176.58 3h8d h PHE 684 N 0.02 0.14 -0.13 -3.82 3.57 0.23 -0.48 116.94 116.47 3h8d h PHE 684 Ca 0.20 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.64 3h8d h PHE 684 Cb 0.30 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 3h8d h PHE 684 CO -0.35 0.46 -0.06 -0.91 -2.23 0.00 0.00 178.31 175.22 3h8d h ASN 685 N -0.23 0.18 0.48 0.41 2.35 -1.17 0.13 115.58 117.74 3h8d h ASN 685 Ca 0.02 -0.02 -0.30 0.00 -0.55 0.00 0.00 56.30 55.44 3h8d h ASN 685 Cb 0.42 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.74 3h8d h ASN 685 CO 0.01 0.27 -1.46 -1.13 -1.65 0.00 0.00 177.43 173.47 3h8d h ASN 686 N 0.19 0.42 0.00 5.81 -1.24 -1.32 -3.38 115.58 116.07 3h8d h ASN 686 Ca 0.04 -0.54 0.00 0.00 0.71 0.00 0.00 56.30 56.51 3h8d h ASN 686 Cb 0.24 -0.14 0.00 0.00 0.73 0.00 0.00 38.32 39.15 3h8d h ASN 686 CO 0.01 1.44 -1.65 0.29 -1.29 0.00 0.00 177.43 176.23 3h8d n LYS 687 N -3.49 0.64 0.04 6.67 4.76 -0.20 -4.90 118.16 121.69 3h8d n LYS 687 Ca -0.15 -0.14 0.00 0.00 -2.87 0.00 0.00 58.31 55.16 3h8d n LYS 687 Cb 1.04 -1.39 0.00 0.00 -1.84 0.00 0.00 35.03 32.85 3h8d n LYS 687 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3h8d n VAL 688 N -2.00 0.39 -3.73 -0.18 0.31 0.36 -5.05 118.33 108.43 3h8d n VAL 688 Ca -0.02 0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.43 3h8d n VAL 688 Cb 0.42 -0.94 0.00 0.00 -0.91 0.00 0.00 33.84 32.41 3h8d n VAL 688 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3h8d n GLY 689 N 2.85 -0.51 3.57 2.92 0.00 -0.57 -5.02 105.19 108.44 3h8d n GLY 689 Ca 0.00 -0.99 -0.40 0.00 0.00 0.00 0.00 46.02 44.62 3h8d n GLY 689 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h8d s ILE 690 N -3.01 5.10 0.38 -0.61 1.01 -1.26 -3.58 121.20 119.23 3h8d s ILE 690 Ca 0.00 0.40 -0.28 0.00 0.00 0.00 0.00 60.65 60.77 3h8d s ILE 690 Cb 0.00 -3.85 -0.11 0.00 0.01 0.00 0.00 42.46 38.52 3h8d s ILE 690 CO 0.00 -0.06 1.46 -2.16 0.00 0.00 0.00 174.94 174.18 3h8d s PRO 691 N 2.22 4.08 0.46 2.79 0.04 -1.26 -5.04 135.00 138.29 3h8d s PRO 691 Ca 0.16 2.51 0.04 0.00 0.04 0.00 0.00 61.00 63.75 3h8d s PRO 691 Cb -0.16 -2.94 -0.04 0.00 0.04 0.00 0.00 34.50 31.40 3h8d s PRO 691 CO 0.12 -0.53 0.01 -0.65 0.04 0.00 0.00 177.00 175.98 3h8d s GLN 692 N -2.11 2.08 0.09 4.56 -1.52 -1.26 -5.14 119.66 116.36 3h8d s GLN 692 Ca 0.53 -2.27 -0.09 0.00 -1.95 0.00 0.00 55.36 51.58 3h8d s GLN 692 Cb -0.45 -1.55 -0.06 0.00 -0.22 0.00 0.00 33.01 30.73 3h8d s GLN 692 CO 0.61 -0.23 0.41 -2.00 -0.25 0.00 0.00 175.29 173.83 3h8d s GLU 693 N -3.80 3.75 -0.27 2.91 2.56 -1.26 -5.08 118.70 117.51 3h8d s GLU 693 Ca 0.19 0.16 -0.13 0.00 0.00 0.00 0.00 54.97 55.19 3h8d s GLU 693 Cb 0.05 -2.96 -0.04 0.00 2.00 0.00 0.00 34.13 33.17 3h8d s GLU 693 CO 0.10 0.54 0.26 -1.58 -0.56 0.00 0.00 175.26 174.01 3h8d s HIS 694 N -1.45 3.24 -0.20 5.30 5.65 -1.26 -5.08 115.29 121.49 3h8d s HIS 694 Ca 0.35 0.25 -0.18 0.00 0.25 0.00 0.00 55.06 55.73 3h8d s HIS 694 Cb -0.14 -2.44 -0.03 0.00 -1.18 0.00 0.00 32.58 28.79 3h8d s HIS 694 CO 0.19 -0.16 0.48 0.54 -0.65 0.00 0.00 174.74 175.14 3h8d s VAL 695 N 1.80 5.13 -0.36 0.89 0.11 -1.26 -5.04 120.40 121.67 3h8d s VAL 695 Ca 0.10 0.88 -0.03 0.00 -2.93 0.00 0.00 61.98 60.00 3h8d s VAL 695 Cb -0.16 -3.81 0.08 0.00 -1.53 0.00 0.00 36.38 30.96 3h8d s VAL 695 CO 0.10 0.19 0.12 -0.62 -3.33 0.00 0.00 175.10 171.56 3h8d s ASP 696 N 1.16 5.13 0.45 3.54 -1.08 -1.26 -4.98 116.67 119.63 3h8d s ASP 696 Ca 0.22 -1.62 0.11 0.00 -0.52 0.00 0.00 52.55 50.74 3h8d s ASP 696 Cb -0.15 -1.79 1.01 0.00 -1.46 0.00 0.00 42.92 40.52 3h8d s ASP 696 CO 0.09 -0.41 2.06 0.45 0.52 0.00 0.00 175.17 177.89 3h8d h HIS 697 N 8.06 0.24 0.01 -5.34 3.86 -1.98 -1.26 115.15 118.73 3h8d h HIS 697 Ca -0.17 -0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 58.83 3h8d h HIS 697 Cb 1.06 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 29.44 3h8d h HIS 697 CO 0.58 0.20 -0.89 -0.44 0.86 0.00 0.00 177.93 178.24 3h8d h ASP 698 N 0.25 0.26 -0.14 2.45 3.32 -1.98 0.21 116.42 120.78 3h8d h ASP 698 Ca 0.06 -0.21 -0.02 0.00 0.02 0.00 0.00 57.03 56.88 3h8d h ASP 698 Cb 0.06 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 3h8d h ASP 698 CO -0.01 1.02 0.01 0.44 -1.72 0.00 0.00 179.24 178.99 3h8d h ASP 699 N 0.10 0.24 -0.00 6.45 3.45 -1.95 -2.89 116.42 121.82 3h8d h ASP 699 Ca -0.05 -0.28 -0.00 0.00 0.43 0.00 0.00 57.03 57.13 3h8d h ASP 699 Cb 1.53 -0.06 -0.00 0.00 -0.56 0.00 0.00 39.33 40.24 3h8d h ASP 699 CO 0.14 0.46 0.00 0.15 -1.57 0.00 0.00 179.24 178.41 3h8d h PHE 700 N 0.01 0.00 -0.10 4.55 3.57 -1.09 -2.42 116.94 121.47 3h8d h PHE 700 Ca 0.04 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.45 3h8d h PHE 700 Cb 0.33 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 3h8d h PHE 700 CO 0.02 0.26 -0.35 -0.44 -2.23 0.00 0.00 178.31 175.58 3h8d h ASP 701 N -0.26 0.19 -0.41 0.41 3.32 -0.73 -1.55 116.42 117.39 3h8d h ASP 701 Ca 0.00 -0.07 -0.10 0.00 0.02 0.00 0.00 57.03 56.88 3h8d h ASP 701 Cb 0.26 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 3h8d h ASP 701 CO 0.00 0.53 -0.13 0.00 -1.72 0.00 0.00 179.24 177.92 3h8d h ALA 702 N 1.48 0.57 -0.67 3.45 0.00 -1.49 -1.04 119.26 121.56 3h8d h ALA 702 Ca 0.02 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.52 3h8d h ALA 702 Cb 0.69 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 3h8d h ALA 702 CO 0.05 0.47 0.14 -0.91 0.00 0.00 0.00 179.25 179.00 3h8d h ASN 703 N 0.63 1.03 -0.27 0.00 2.35 -1.32 -1.78 115.58 116.22 3h8d h ASN 703 Ca 0.10 -0.23 -0.02 0.00 -0.55 0.00 0.00 56.30 55.60 3h8d h ASN 703 Cb 0.67 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.76 3h8d h ASN 703 CO 0.05 1.00 0.08 1.56 -1.65 0.00 0.00 177.43 178.48 3h8d h GLN 704 N 1.02 0.41 -0.76 0.81 1.08 -1.16 -1.47 115.11 115.04 3h8d h GLN 704 Ca 0.21 -0.09 0.09 0.00 -1.45 0.00 0.00 58.65 57.41 3h8d h GLN 704 Cb 0.39 -0.06 -0.07 0.00 -0.05 0.00 0.00 27.48 27.69 3h8d h GLN 704 CO 0.01 0.48 0.41 1.25 -0.95 0.00 0.00 178.83 180.03 3h8d h LEU 705 N 0.27 0.56 -1.45 1.46 5.85 -1.16 -2.12 115.31 118.72 3h8d h LEU 705 Ca 0.09 0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.80 3h8d h LEU 705 Cb 0.24 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 3h8d h LEU 705 CO -0.00 0.32 -0.28 -0.07 -0.34 0.00 0.00 178.44 178.07 3h8d h LEU 706 N 0.69 0.00 -1.83 2.25 3.38 -1.00 -0.64 115.31 118.17 3h8d h LEU 706 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 3h8d h LEU 706 Cb 0.36 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3h8d h LEU 706 CO -0.26 0.28 0.10 0.78 0.09 0.00 0.00 178.44 179.43 3h8d h ASN 707 N 0.00 0.19 0.09 -0.43 2.35 -0.58 -0.19 115.58 117.01 3h8d h ASN 707 Ca -0.00 -0.01 -0.23 0.00 -0.55 0.00 0.00 56.30 55.51 3h8d h ASN 707 Cb 0.49 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.81 3h8d h ASN 707 CO 0.04 0.14 -1.18 0.11 -1.65 0.00 0.00 177.43 174.88 3h8d h LYS 708 N 0.22 0.19 -0.59 0.81 1.57 -1.23 -3.13 116.57 114.41 3h8d h LYS 708 Ca 0.06 -0.33 0.07 0.00 -1.87 0.00 0.00 60.65 58.58 3h8d h LYS 708 Cb -0.02 0.12 -0.06 0.00 0.08 0.00 0.00 32.23 32.36 3h8d h LYS 708 CO -0.01 1.16 0.27 0.82 -0.57 0.00 0.00 179.45 181.11 3h8d h ILE 709 N -0.47 0.87 -0.40 1.86 2.04 -1.04 -3.06 117.51 117.31 3h8d h ILE 709 Ca -0.26 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.43 3h8d h ILE 709 Cb 1.61 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 38.02 3h8d h ILE 709 CO 0.03 0.09 0.00 0.59 0.00 0.00 0.00 178.15 178.86 3h8d n ASN 710 N -4.92 2.54 0.00 1.72 3.02 -0.09 -5.09 115.26 112.44 3h8d n ASN 710 Ca 0.07 -1.93 0.11 0.00 -0.03 0.00 0.00 54.58 52.80 3h8d n ASN 710 Cb 0.21 -0.27 0.63 0.00 -0.61 0.00 0.00 39.78 39.74 3h8d n ASN 710 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85