#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgk h THR 2 N 0.00 0.92 -0.08 2.03 2.02 -1.98 -1.51 112.91 114.30 2hgk h THR 2 Ca 0.00 -0.31 0.01 0.00 0.77 0.00 0.00 66.41 66.88 2hgk h THR 2 Cb 0.00 -0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 66.35 2hgk h THR 2 CO 0.00 0.16 0.06 0.74 0.37 0.00 0.00 175.52 176.85 2hgk h THR 3 N 0.90 0.99 -0.74 3.16 2.02 -1.96 -2.80 112.91 114.48 2hgk h THR 3 Ca 0.45 -0.02 0.09 0.00 0.77 0.00 0.00 66.41 67.69 2hgk h THR 3 Cb 0.42 0.93 -0.07 0.00 -1.74 0.00 0.00 68.15 67.69 2hgk h THR 3 CO -0.26 0.01 0.39 0.45 0.37 0.00 0.00 175.52 176.49 2hgk h HIS 4 N 0.05 0.71 -0.23 3.16 -0.00 -1.62 0.27 115.15 117.49 2hgk h HIS 4 Ca 0.04 0.03 -0.11 0.00 -0.00 0.00 0.00 60.37 60.33 2hgk h HIS 4 Cb 0.08 -0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 27.26 2hgk h HIS 4 CO -0.00 0.29 -0.32 0.22 -0.00 0.00 0.00 177.93 178.12 2hgk h ASP 5 N 0.68 0.48 0.19 2.45 3.58 -1.65 -1.85 116.42 120.30 2hgk h ASP 5 Ca 0.35 -0.18 -0.19 0.00 0.42 0.00 0.00 57.03 57.43 2hgk h ASP 5 Cb 0.33 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 41.24 2hgk h ASP 5 CO -0.24 0.77 -0.74 0.03 -2.88 0.00 0.00 179.24 176.18 2hgk h ARG 6 N 0.40 0.47 -0.90 0.28 3.08 -1.16 -2.53 114.38 114.03 2hgk h ARG 6 Ca 0.05 -0.38 -0.02 0.00 0.07 0.00 0.00 59.98 59.70 2hgk h ARG 6 Cb 0.75 0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.84 2hgk h ARG 6 CO 0.06 1.02 0.48 0.28 -1.07 0.00 0.00 179.97 180.74 2hgk h VAL 7 N 0.32 1.26 -0.58 2.04 2.07 -0.27 -0.19 116.25 120.90 2hgk h VAL 7 Ca -0.03 -0.66 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 2hgk h VAL 7 Cb 1.32 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 2hgk h VAL 7 CO 0.13 0.30 0.34 -0.09 0.02 0.00 0.00 177.57 178.27 2hgk h ARG 8 N 1.26 0.80 -0.50 1.57 2.43 -1.15 -1.07 114.38 117.72 2hgk h ARG 8 Ca 0.31 -0.08 -0.10 0.00 -0.81 0.00 0.00 59.98 59.31 2hgk h ARG 8 Cb 0.04 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.41 2hgk h ARG 8 CO -0.05 0.59 -0.07 -0.07 -1.51 0.00 0.00 179.97 178.86 2hgk h LEU 9 N 0.79 0.88 -0.44 3.80 3.38 -1.06 -2.53 115.31 120.12 2hgk h LEU 9 Ca 0.21 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2hgk h LEU 9 Cb 0.00 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 2hgk h LEU 9 CO -0.04 0.98 0.28 -0.61 0.09 0.00 0.00 178.44 179.14 2hgk h GLN 10 N 0.81 0.59 -0.65 1.13 -0.00 -0.52 0.10 115.11 116.58 2hgk h GLN 10 Ca 0.14 -0.05 0.07 0.00 -0.00 0.00 0.00 58.65 58.81 2hgk h GLN 10 Cb 0.58 -0.13 -0.06 0.00 0.00 0.00 0.00 27.48 27.87 2hgk h GLN 10 CO 0.04 0.42 0.34 -0.07 0.00 0.00 0.00 178.83 179.55 2hgk h LEU 11 N 0.59 0.47 -0.85 -2.39 3.38 -1.01 0.33 115.31 115.84 2hgk h LEU 11 Ca 0.16 0.04 -0.12 0.00 0.09 0.00 0.00 57.88 58.05 2hgk h LEU 11 Cb -0.03 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2hgk h LEU 11 CO -0.03 0.30 -0.56 1.56 0.09 0.00 0.00 178.44 179.80 2hgk h GLN 12 N 0.61 0.05 -0.12 1.13 4.20 -1.00 0.10 115.11 120.08 2hgk h GLN 12 Ca 0.30 -0.03 -0.23 0.00 0.06 0.00 0.00 58.65 58.75 2hgk h GLN 12 Cb 0.24 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.03 2hgk h GLN 12 CO -0.21 0.59 -0.84 0.00 -0.67 0.00 0.00 178.83 177.71 2hgk h ALA 13 N 1.40 0.28 -0.72 3.87 0.00 0.01 -2.50 119.26 121.61 2hgk h ALA 13 Ca -0.00 -0.62 -0.05 0.00 0.00 0.00 0.00 54.91 54.23 2hgk h ALA 13 Cb 1.00 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 2hgk h ALA 13 CO 0.08 0.69 0.24 1.25 0.00 0.00 0.00 179.25 181.51 2hgk h LEU 14 N 0.51 1.01 -0.63 0.00 5.85 -0.15 -1.65 115.31 120.25 2hgk h LEU 14 Ca -0.07 -0.17 0.07 0.00 0.84 0.00 0.00 57.88 58.54 2hgk h LEU 14 Cb 1.47 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 42.18 2hgk h LEU 14 CO 0.17 0.93 0.32 -0.08 -0.34 0.00 0.00 178.44 179.44 2hgk h GLU 15 N 1.05 0.58 -0.77 1.25 4.81 -0.93 -1.06 114.58 119.51 2hgk h GLU 15 Ca 0.23 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.40 2hgk h GLU 15 Cb 0.26 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.48 2hgk h GLU 15 CO -0.01 0.38 0.36 0.00 -0.73 0.00 0.00 179.01 179.01 2hgk h ALA 16 N 1.35 0.99 -0.32 2.92 0.00 -0.94 0.24 119.26 123.50 2hgk h ALA 16 Ca 0.29 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2hgk h ALA 16 Cb 0.23 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2hgk h ALA 16 CO -0.21 0.57 0.21 1.25 0.00 0.00 0.00 179.25 181.08 2hgk h LEU 17 N 1.09 0.37 -0.66 0.00 6.46 -0.64 0.46 115.31 122.39 2hgk h LEU 17 Ca 0.26 -0.01 -0.10 0.00 -0.12 0.00 0.00 57.88 57.92 2hgk h LEU 17 Cb 0.14 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 39.95 2hgk h LEU 17 CO -0.03 0.27 -0.01 -0.07 -0.62 0.00 0.00 178.44 177.98 2hgk h LEU 18 N 0.44 1.01 -1.00 2.25 3.38 -0.89 -2.66 115.31 117.83 2hgk h LEU 18 Ca 0.12 -0.29 0.08 0.00 0.09 0.00 0.00 57.88 57.88 2hgk h LEU 18 Cb -0.05 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 40.36 2hgk h LEU 18 CO -0.03 1.07 0.64 -0.09 0.09 0.00 0.00 178.44 180.12 2hgk h ARG 19 N 0.94 1.09 -0.76 1.13 2.43 0.03 0.29 114.38 119.53 2hgk h ARG 19 Ca 0.17 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 2hgk h ARG 19 Cb 0.56 -0.25 -0.04 0.00 -0.42 0.00 0.00 29.97 29.83 2hgk h ARG 19 CO 0.03 0.72 0.43 0.93 -1.51 0.00 0.00 179.97 180.58 2hgk h GLU 20 N 1.12 1.04 -0.71 0.20 5.08 -0.57 -2.97 114.58 117.77 2hgk h GLU 20 Ca 0.45 -0.11 -0.17 0.00 -1.00 0.00 0.00 59.36 58.53 2hgk h GLU 20 Cb 0.26 -0.21 -0.10 0.00 0.50 0.00 0.00 28.75 29.20 2hgk h GLU 20 CO -0.20 0.76 0.22 0.72 -1.00 0.00 0.00 179.01 179.50 2hgk n HIS 21 N -4.47 2.40 -1.84 4.33 8.25 -0.63 -4.90 115.22 118.36 2hgk n HIS 21 Ca 0.07 -1.11 -0.20 0.00 -0.26 0.00 0.00 57.72 56.23 2hgk n HIS 21 Cb 0.08 -0.66 -0.06 0.00 1.12 0.00 0.00 29.99 30.47 2hgk n HIS 21 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2hgk n GLN 22 N 0.02 -1.43 -0.56 -0.41 6.02 -0.60 -4.84 117.38 115.57 2hgk n GLN 22 Ca 0.38 1.11 0.05 0.00 -0.01 0.00 0.00 57.00 58.53 2hgk n GLN 22 Cb 1.36 -5.53 0.26 0.00 1.02 0.00 0.00 30.24 27.35 2hgk n GLN 22 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2hgk n HIS 23 N -2.97 1.30 0.26 1.08 8.25 0.93 -3.27 115.22 120.80 2hgk n HIS 23 Ca -0.21 -0.45 0.10 0.00 -0.26 0.00 0.00 57.72 56.90 2hgk n HIS 23 Cb 0.66 -0.35 0.26 0.00 1.12 0.00 0.00 29.99 31.68 2hgk n HIS 23 CO 0.00 0.00 0.00 1.87 0.64 0.00 0.00 176.34 178.85 2hgk n TRP 24 N 0.42 0.69 -3.84 4.41 -0.00 -1.25 -4.81 117.44 113.07 2hgk n TRP 24 Ca 0.18 -0.35 -0.36 0.00 -0.00 0.00 0.00 57.50 56.97 2hgk n TRP 24 Cb 0.83 0.00 -0.13 0.00 -0.00 0.00 0.00 31.31 32.01 2hgk n TRP 24 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 177.69 178.72 2hgk s ARG 25 N -1.31 3.22 -0.21 5.87 0.52 -1.20 -5.06 118.95 120.78 2hgk s ARG 25 Ca 0.39 -0.75 -0.11 0.00 -0.52 0.00 0.00 55.73 54.73 2hgk s ARG 25 Cb 0.20 -3.19 -0.05 0.00 0.52 0.00 0.00 34.95 32.43 2hgk s ARG 25 CO 0.27 -0.33 0.17 -0.80 0.02 0.00 0.00 175.30 174.63 2hgk s ASN 26 N 1.48 6.21 -0.60 0.23 -0.87 -1.26 -5.03 114.94 115.11 2hgk s ASN 26 Ca 0.04 0.23 -0.28 0.00 -1.57 0.00 0.00 52.86 51.29 2hgk s ASN 26 Cb -0.16 -2.11 0.01 0.00 -0.02 0.00 0.00 41.25 38.98 2hgk s ASN 26 CO -0.00 0.13 1.43 -0.62 -2.57 0.00 0.00 177.10 175.46 2hgk s ASP 27 N 0.61 6.06 -0.52 -1.22 2.15 -1.26 -4.04 116.67 118.45 2hgk s ASP 27 Ca 0.09 0.15 -0.08 0.00 0.43 0.00 0.00 52.55 53.15 2hgk s ASP 27 Cb -0.12 -2.55 0.01 0.00 -0.30 0.00 0.00 42.92 39.96 2hgk s ASP 27 CO 0.01 -1.79 0.58 -0.62 -0.17 0.00 0.00 175.17 173.18 2hgk n GLU 28 N 8.84 -1.70 -2.04 4.34 1.02 -1.26 -4.87 120.64 124.97 2hgk n GLU 28 Ca 0.11 1.70 -0.29 0.00 -0.02 0.00 0.00 57.16 58.66 2hgk n GLU 28 Cb 0.49 -5.31 -0.05 0.00 -0.02 0.00 0.00 31.44 26.56 2hgk n GLU 28 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 2hgk s PRO 29 N -2.71 2.56 0.06 3.49 0.02 -1.26 -4.96 135.00 132.21 2hgk s PRO 29 Ca 0.12 -0.08 0.03 0.00 0.02 0.00 0.00 61.00 61.09 2hgk s PRO 29 Cb -0.03 -4.91 -0.04 0.00 0.02 0.00 0.00 34.50 29.54 2hgk s PRO 29 CO 0.68 -3.24 0.04 -0.65 -0.33 0.00 0.00 177.00 173.51 2hgk s GLN 30 N 7.03 2.80 0.63 5.54 -0.21 -1.26 -4.97 119.66 129.22 2hgk s GLN 30 Ca 0.70 -0.69 0.40 0.00 0.02 0.00 0.00 55.36 55.79 2hgk s GLN 30 Cb -0.08 -2.68 2.12 0.00 1.00 0.00 0.00 33.01 33.37 2hgk s GLN 30 CO 0.04 0.58 2.28 -1.35 -2.12 0.00 0.00 175.29 174.72 2hgk h PRO 31 N 3.64 0.00 0.00 2.91 0.11 -2.01 -1.55 132.00 135.09 2hgk h PRO 31 Ca -0.48 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 2hgk h PRO 31 Cb 1.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 2hgk h PRO 31 CO 0.62 0.01 -0.04 1.25 -0.21 0.00 0.00 178.00 179.63 2hgk h HIS 32 N 0.00 0.00 -0.78 0.65 2.76 -1.97 -1.59 115.15 114.23 2hgk h HIS 32 Ca -0.00 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.13 2hgk h HIS 32 Cb 0.11 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.04 2hgk h HIS 32 CO 0.00 0.04 0.33 1.96 -1.30 0.00 0.00 177.93 178.95 2hgk h GLN 33 N 0.00 1.15 -0.00 5.26 4.20 -1.65 -2.74 115.11 121.32 2hgk h GLN 33 Ca -0.00 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 58.51 2hgk h GLN 33 Cb 0.22 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.81 2hgk h GLN 33 CO 0.00 0.92 -0.07 1.19 -0.67 0.00 0.00 178.83 180.20 2hgk n PHE 34 N -4.32 0.00 0.04 2.96 3.72 -0.61 -3.38 117.46 115.86 2hgk n PHE 34 Ca 0.07 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.41 2hgk n PHE 34 Cb 0.17 -0.13 0.14 0.00 -0.94 0.00 0.00 39.48 38.72 2hgk n PHE 34 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 2hgk h ASN 35 N 0.67 0.45 -3.04 4.37 -0.73 -1.38 -3.36 115.58 112.55 2hgk h ASN 35 Ca 0.00 -0.20 -0.55 0.00 1.87 0.00 0.00 56.30 57.42 2hgk h ASN 35 Cb 0.31 -0.13 -0.07 0.00 0.27 0.00 0.00 38.32 38.70 2hgk h ASN 35 CO 0.00 0.83 1.00 -0.55 -0.37 0.00 0.00 177.43 178.34 2hgk s SER 36 N -6.87 6.38 -0.01 1.15 0.15 -1.22 -4.87 113.70 108.41 2hgk s SER 36 Ca -0.06 0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.62 2hgk s SER 36 Cb 0.13 -2.55 0.03 0.00 -1.71 0.00 0.00 66.02 61.91 2hgk s SER 36 CO 0.80 -1.55 0.64 1.07 1.20 0.00 0.00 173.24 175.40 2hgk n THR 37 N 6.64 0.29 -2.06 6.45 5.66 -1.26 -4.62 114.28 125.37 2hgk n THR 37 Ca 0.08 -0.06 -0.36 0.00 -3.05 0.00 0.00 64.05 60.66 2hgk n THR 37 Cb 0.49 -0.58 0.03 0.00 -1.55 0.00 0.00 70.33 68.72 2hgk n THR 37 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 2hgk s GLN 38 N -0.90 3.06 0.65 1.09 -0.21 -1.26 -4.90 119.66 117.18 2hgk s GLN 38 Ca 0.02 1.79 0.43 0.00 0.02 0.00 0.00 55.36 57.63 2hgk s GLN 38 Cb 0.02 -1.95 2.33 0.00 1.00 0.00 0.00 33.01 34.40 2hgk s GLN 38 CO 0.01 -1.13 2.32 -1.35 -2.12 0.00 0.00 175.29 173.02 2hgk h PRO 39 N 0.97 0.00 0.00 2.91 0.11 -2.04 -2.79 132.00 131.16 2hgk h PRO 39 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2hgk h PRO 39 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 2hgk h PRO 39 CO 0.56 0.00 -0.12 1.19 -0.21 0.00 0.00 178.00 179.41 2hgk n PHE 40 N -3.04 0.00 -3.92 0.65 3.01 -1.26 -5.01 117.46 107.89 2hgk n PHE 40 Ca -0.03 -0.20 -0.27 0.00 1.01 0.00 0.00 57.45 57.96 2hgk n PHE 40 Cb 0.08 -0.04 0.00 0.00 -0.01 0.00 0.00 39.48 39.52 2hgk n PHE 40 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 2hgk n PHE 41 N -0.24 -1.91 -0.09 1.38 3.72 -1.05 -4.14 117.46 115.12 2hgk n PHE 41 Ca 0.02 0.82 -0.05 0.00 -0.05 0.00 0.00 57.45 58.19 2hgk n PHE 41 Cb 0.52 -3.84 0.15 0.00 -0.94 0.00 0.00 39.48 35.36 2hgk n PHE 41 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 2hgk h MET 42 N -1.86 0.76 0.16 -1.08 2.86 -1.86 -2.68 114.93 111.24 2hgk h MET 42 Ca -0.61 -0.23 -0.34 0.00 -2.06 0.00 0.00 59.70 56.46 2hgk h MET 42 Cb 1.37 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.96 2hgk h MET 42 CO 0.65 0.82 -1.73 0.22 1.06 0.00 0.00 176.91 177.92 2hgk h ASP 43 N 0.70 0.52 0.01 1.22 3.58 -1.96 -3.38 116.42 117.11 2hgk h ASP 43 Ca 0.13 -0.82 -0.00 0.00 0.42 0.00 0.00 57.03 56.76 2hgk h ASP 43 Cb 0.53 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.41 2hgk h ASP 43 CO 0.03 1.69 -0.00 0.71 -2.88 0.00 0.00 179.24 178.79 2hgk h THR 44 N 0.09 1.14 -1.89 2.25 1.35 -1.89 -3.47 112.91 110.48 2hgk h THR 44 Ca -0.33 -0.43 0.00 0.00 -0.55 0.00 0.00 66.41 65.10 2hgk h THR 44 Cb 2.07 1.43 0.00 0.00 -1.73 0.00 0.00 68.15 69.92 2hgk h THR 44 CO 0.16 0.11 0.00 0.23 -0.25 0.00 0.00 175.52 175.77 2hgk n MET 45 N -5.01 0.00 -1.93 4.72 2.81 -1.01 -5.06 117.12 111.63 2hgk n MET 45 Ca -0.08 0.00 -0.41 0.00 -1.81 0.00 0.00 57.70 55.40 2hgk n MET 45 Cb 0.12 0.00 -0.01 0.00 -0.71 0.00 0.00 33.22 32.61 2hgk n MET 45 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 2hgk s GLU 46 N -1.68 4.22 0.00 0.03 8.01 -1.26 -4.31 118.70 123.71 2hgk s GLU 46 Ca 0.00 2.41 0.00 0.00 0.01 0.00 0.00 54.97 57.40 2hgk s GLU 46 Cb 0.00 -3.03 0.01 0.00 -4.31 0.00 0.00 34.13 26.80 2hgk s GLU 46 CO 0.00 -0.42 0.94 -2.30 0.01 0.00 0.00 175.26 173.49 2hgk n PRO 47 N 1.12 0.00 0.22 0.39 -0.02 -1.26 -0.94 135.00 134.52 2hgk n PRO 47 Ca 0.03 0.43 0.09 0.00 -2.02 0.00 0.00 63.50 62.03 2hgk n PRO 47 Cb 0.40 -1.50 0.48 0.00 -0.02 0.00 0.00 33.50 32.86 2hgk n PRO 47 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2hgk h LEU 48 N 0.00 0.00 0.00 2.45 3.38 -1.89 -2.89 115.31 116.36 2hgk h LEU 48 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2hgk h LEU 48 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2hgk h LEU 48 CO 0.00 0.24 0.00 1.21 0.09 0.00 0.00 178.44 179.98 2hgk n GLU 49 N -3.48 0.30 -0.05 1.13 4.07 -0.11 -2.06 120.64 120.44 2hgk n GLU 49 Ca -0.00 0.10 -0.22 0.00 -0.06 0.00 0.00 57.16 56.98 2hgk n GLU 49 Cb 0.41 -1.50 -0.13 0.00 -0.06 0.00 0.00 31.44 30.16 2hgk n GLU 49 CO 0.00 0.00 0.00 1.87 -0.06 0.00 0.00 177.13 178.94 2hgk n TRP 50 N -1.25 0.99 0.15 4.31 -0.00 -1.09 -4.21 117.44 116.34 2hgk n TRP 50 Ca 0.09 0.28 -0.14 0.00 -0.00 0.00 0.00 57.50 57.74 2hgk n TRP 50 Cb 0.14 -1.12 -0.07 0.00 -0.00 0.00 0.00 31.31 30.26 2hgk n TRP 50 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 177.69 178.94 2hgk h LEU 51 N -0.35 -0.53-10.16 5.87 5.85 -1.54 0.20 115.31 114.65 2hgk h LEU 51 Ca -0.43 0.05 -0.49 0.00 0.84 0.00 0.00 57.88 57.85 2hgk h LEU 51 Cb 1.76 0.18 0.01 0.00 0.37 0.00 0.00 40.66 42.98 2hgk h LEU 51 CO -0.06 -0.30 0.18 0.00 -0.34 0.00 0.00 178.44 177.92 2hgk s GLN 52 N -6.10 3.83 0.00 1.25 -2.07 -0.87 -3.59 119.66 112.10 2hgk s GLN 52 Ca -0.15 0.60 0.00 0.00 -1.82 0.00 0.00 55.36 53.98 2hgk s GLN 52 Cb 0.06 -2.33 0.00 0.00 -1.09 0.00 0.00 33.01 29.66 2hgk s GLN 52 CO 0.65 -0.09 0.00 1.87 -1.32 0.00 0.00 175.29 176.39 2hgk n TRP 53 N -1.35 0.00 -0.04 9.60 -0.00 -1.26 -4.33 117.44 120.06 2hgk n TRP 53 Ca 0.03 0.00 -0.03 0.00 -0.00 0.00 0.00 57.50 57.51 2hgk n TRP 53 Cb 0.54 0.00 -0.01 0.00 -0.00 0.00 0.00 31.31 31.84 2hgk n TRP 53 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 2hgk n VAL 54 N 0.00 0.74 -0.24 5.87 0.31 -1.21 -4.49 118.33 119.31 2hgk n VAL 54 Ca 0.00 0.35 0.02 0.00 -0.01 0.00 0.00 64.34 64.70 2hgk n VAL 54 Cb 0.00 -1.97 0.14 0.00 -0.91 0.00 0.00 33.84 31.11 2hgk n VAL 54 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 2hgk h LEU 55 N -0.52 0.36 0.48 7.52 5.85 -0.64 -1.69 115.31 126.66 2hgk h LEU 55 Ca 0.00 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 2hgk h LEU 55 Cb 0.28 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.33 2hgk h LEU 55 CO 0.00 0.19 -0.30 0.40 -0.34 0.00 0.00 178.44 178.39 2hgk h ILE 56 N 0.51 0.00 0.00 4.05 2.04 -1.82 0.00 117.51 122.30 2hgk h ILE 56 Ca 0.36 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.19 2hgk h ILE 56 Cb 0.44 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.52 2hgk h ILE 56 CO -0.31 0.00 -0.13 1.55 0.00 0.00 0.00 178.15 179.26 2hgk h PRO 57 N -0.74 0.00 -0.31 2.37 0.13 -1.77 -2.34 132.00 129.34 2hgk h PRO 57 Ca -0.06 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.02 2hgk h PRO 57 Cb 0.59 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.71 2hgk h PRO 57 CO 0.06 0.13 0.01 -0.09 -0.23 0.00 0.00 178.00 177.87 2hgk h ARG 58 N 0.00 0.54 0.00 0.86 2.43 -0.99 -2.78 114.38 114.44 2hgk h ARG 58 Ca -0.00 -0.17 -0.06 0.00 -0.81 0.00 0.00 59.98 58.94 2hgk h ARG 58 Cb 0.38 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 2hgk h ARG 58 CO 0.02 0.67 -0.30 0.52 -1.51 0.00 0.00 179.97 179.37 2hgk h MET 59 N 0.34 0.00 -0.95 0.20 2.86 -0.66 -2.49 114.93 114.24 2hgk h MET 59 Ca 0.09 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.78 2hgk h MET 59 Cb 0.42 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.02 2hgk h MET 59 CO 0.01 0.30 0.62 0.45 1.06 0.00 0.00 176.91 179.35 2hgk h HIS 60 N 0.00 1.14 -0.49 -0.22 3.86 -1.17 0.45 115.15 118.73 2hgk h HIS 60 Ca -0.00 0.03 -0.11 0.00 -1.16 0.00 0.00 60.37 59.12 2hgk h HIS 60 Cb 0.89 -0.38 -0.01 0.00 1.06 0.00 0.00 27.41 28.97 2hgk h HIS 60 CO 0.00 0.63 -0.14 0.22 0.86 0.00 0.00 177.93 179.51 2hgk h ASP 61 N 1.16 0.97 -0.35 2.45 3.58 -1.22 -1.00 116.42 122.01 2hgk h ASP 61 Ca 0.39 -0.37 -0.00 0.00 0.42 0.00 0.00 57.03 57.47 2hgk h ASP 61 Cb 0.08 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 40.85 2hgk h ASP 61 CO -0.13 1.11 0.20 0.25 -2.88 0.00 0.00 179.24 177.80 2hgk h LEU 62 N 0.81 0.43 -1.51 2.28 5.85 -1.22 -2.22 115.31 119.73 2hgk h LEU 62 Ca 0.12 -0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 2hgk h LEU 62 Cb 0.70 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 2hgk h LEU 62 CO 0.05 0.37 -0.12 -0.07 -0.34 0.00 0.00 178.44 178.33 2hgk h LEU 63 N 0.45 0.15 -1.80 2.25 3.38 -0.79 -0.74 115.31 118.22 2hgk h LEU 63 Ca 0.12 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 2hgk h LEU 63 Cb 0.03 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 2hgk h LEU 63 CO -0.02 0.30 -0.14 0.44 0.09 0.00 0.00 178.44 179.11 2hgk h ASP 64 N 0.16 0.00 -0.16 -0.43 3.32 -0.58 -1.04 116.42 117.68 2hgk h ASP 64 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 2hgk h ASP 64 Cb 0.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.87 2hgk h ASP 64 CO 0.02 0.14 0.00 0.59 -1.72 0.00 0.00 179.24 178.27 2hgk n ASN 65 N -4.11 2.05 0.00 6.45 5.03 -0.32 -4.98 115.26 119.37 2hgk n ASN 65 Ca -0.02 -1.74 0.00 0.00 0.87 0.00 0.00 54.58 53.69 2hgk n ASN 65 Cb 0.22 -0.10 0.00 0.00 -1.02 0.00 0.00 39.78 38.88 2hgk n ASN 65 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 2hgk n LYS 66 N 0.58 0.00 -1.15 3.52 5.02 -0.40 -4.92 118.16 120.81 2hgk n LYS 66 Ca 0.17 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.46 2hgk n LYS 66 Cb 0.40 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.41 2hgk n LYS 66 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2hgk n GLN 67 N 0.00 -3.25 0.00 1.97 1.13 -1.26 -4.53 117.38 111.44 2hgk n GLN 67 Ca 0.00 2.44 0.08 0.00 -1.94 0.00 0.00 57.00 57.58 2hgk n GLN 67 Cb 0.00 -2.81 0.43 0.00 0.11 0.00 0.00 30.24 27.97 2hgk n GLN 67 CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32 2hgk n PRO 68 N -1.20 0.39 -0.74 -1.09 -0.02 -1.26 -4.96 135.00 126.12 2hgk n PRO 68 Ca 0.00 0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 2hgk n PRO 68 Cb 0.07 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 2hgk n PRO 68 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2hgk n LEU 69 N -1.09 -1.81 -4.58 2.45 4.77 -1.26 -4.76 117.00 110.72 2hgk n LEU 69 Ca 0.10 1.41 -0.41 0.00 -0.03 0.00 0.00 56.01 57.08 2hgk n LEU 69 Cb 0.07 -0.83 -0.03 0.00 -2.33 0.00 0.00 43.42 40.30 2hgk n LEU 69 CO 0.09 0.16 1.62 -2.16 -1.33 0.00 0.00 177.39 175.77 2hgk s PRO 70 N -4.81 2.99 0.15 3.23 0.04 -1.26 -4.86 135.00 130.48 2hgk s PRO 70 Ca 0.00 1.19 0.16 0.00 0.04 0.00 0.00 61.00 62.39 2hgk s PRO 70 Cb 0.00 -4.30 0.74 0.00 0.04 0.00 0.00 34.50 30.98 2hgk s PRO 70 CO 0.00 -2.28 1.50 0.41 0.04 0.00 0.00 177.00 176.67 2hgk n GLY 71 N 5.58 -0.96 1.42 0.56 0.00 -1.24 -2.29 105.19 108.24 2hgk n GLY 71 Ca 0.24 0.06 -0.11 0.00 0.00 0.00 0.00 46.02 46.21 2hgk n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hgk n ALA 72 N -1.65 4.60 -2.65 4.61 0.00 -1.26 -4.32 120.51 119.84 2hgk n ALA 72 Ca 0.01 -3.41 -0.42 0.00 0.00 0.00 0.00 53.44 49.62 2hgk n ALA 72 Cb 0.13 -0.63 -0.03 0.00 0.00 0.00 0.00 19.45 18.91 2hgk n ALA 72 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2hgk s PHE 73 N -3.41 3.32 -0.28 0.00 5.36 -0.97 -5.00 117.98 117.01 2hgk s PHE 73 Ca 0.47 1.30 0.00 0.00 -0.96 0.00 0.00 56.93 57.75 2hgk s PHE 73 Cb 0.41 -3.18 0.15 0.00 -0.34 0.00 0.00 43.02 40.06 2hgk s PHE 73 CO -0.01 -0.45 0.37 0.00 -1.46 0.00 0.00 175.22 173.68 2hgk s ALA 74 N 3.04 -0.99 -0.12 11.12 0.00 -1.26 -4.57 121.76 128.98 2hgk s ALA 74 Ca 0.40 0.24 0.20 0.00 0.00 0.00 0.00 51.96 52.79 2hgk s ALA 74 Cb -0.15 -1.91 -0.27 0.00 0.00 0.00 0.00 23.12 20.79 2hgk s ALA 74 CO 0.07 -1.63 0.34 1.33 0.00 0.00 0.00 175.76 175.87 2hgk n VAL 75 N 5.34 0.79 0.08 0.00 0.24 -1.26 -4.54 118.33 118.98 2hgk n VAL 75 Ca -0.01 -0.69 -0.12 0.00 -2.04 0.00 0.00 64.34 61.48 2hgk n VAL 75 Cb 0.49 -0.30 -0.05 0.00 -1.47 0.00 0.00 33.84 32.50 2hgk n VAL 75 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2hgk h ALA 76 N 1.47 -0.40 -0.31 2.33 0.00 -1.90 -0.20 119.26 120.26 2hgk h ALA 76 Ca -0.27 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.68 2hgk h ALA 76 Cb 1.64 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 19.87 2hgk h ALA 76 CO 0.02 -0.78 0.21 -1.00 0.00 0.00 0.00 179.25 177.70 2hgk h PRO 77 N -0.44 0.12 -0.03 0.00 0.13 -1.95 -1.32 132.00 128.50 2hgk h PRO 77 Ca 0.05 -0.01 -0.22 0.00 -0.87 0.00 0.00 66.00 64.96 2hgk h PRO 77 Cb 0.50 -0.03 0.02 0.00 0.13 0.00 0.00 31.00 31.62 2hgk h PRO 77 CO -0.20 0.08 -0.82 -0.92 -0.23 0.00 0.00 178.00 175.91 2hgk h TYR 78 N 0.12 0.89 0.00 1.56 3.20 -1.60 -3.13 116.97 118.00 2hgk h TYR 78 Ca 0.14 -0.46 0.00 0.00 3.14 0.00 0.00 58.73 61.55 2hgk h TYR 78 Cb 0.40 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.56 2hgk h TYR 78 CO -0.00 1.29 0.00 0.66 -1.64 0.00 0.00 178.16 178.47 2hgk n TYR 79 N -4.02 0.36 0.35 -3.82 4.01 -0.16 -0.72 117.16 113.16 2hgk n TYR 79 Ca -0.10 0.13 0.14 0.00 -0.16 0.00 0.00 57.90 57.91 2hgk n TYR 79 Cb 0.77 -0.71 0.57 0.00 -0.31 0.00 0.00 39.34 39.67 2hgk n TYR 79 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 2hgk h GLU 80 N 0.00 0.00 0.00 -0.72 5.08 -1.22 -0.83 114.58 116.89 2hgk h GLU 80 Ca 0.00 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.05 2hgk h GLU 80 Cb 0.39 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.59 2hgk h GLU 80 CO 0.00 0.00 -2.19 -1.33 -1.00 0.00 0.00 179.01 174.49 2hgk n MET 81 N -2.65 0.62 0.13 2.33 2.81 -0.03 -4.47 117.12 115.86 2hgk n MET 81 Ca 0.02 0.11 0.05 0.00 -1.81 0.00 0.00 57.70 56.06 2hgk n MET 81 Cb 0.28 -1.42 0.49 0.00 -0.71 0.00 0.00 33.22 31.86 2hgk n MET 81 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2hgk h ALA 82 N 0.10 1.76 -3.10 3.04 0.00 -0.90 -3.41 119.26 116.75 2hgk h ALA 82 Ca -0.47 -0.07 -0.63 0.00 0.00 0.00 0.00 54.91 53.74 2hgk h ALA 82 Cb 1.76 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 19.39 2hgk h ALA 82 CO -0.06 0.20 -0.59 -0.51 0.00 0.00 0.00 179.25 178.29 2hgk s LEU 83 N -9.13 3.86 0.75 0.00 1.43 -0.32 -4.92 118.68 110.35 2hgk s LEU 83 Ca -0.06 0.01 -0.12 0.00 -1.03 0.00 0.00 54.13 52.92 2hgk s LEU 83 Cb 0.17 -2.53 0.05 0.00 0.03 0.00 0.00 46.19 43.91 2hgk s LEU 83 CO 0.71 0.16 1.12 0.00 0.23 0.00 0.00 176.35 178.57 2hgk s ALA 84 N -1.44 2.19 0.32 4.21 0.00 -1.26 -4.69 121.76 121.08 2hgk s ALA 84 Ca 0.30 0.49 0.38 0.00 0.00 0.00 0.00 51.96 53.13 2hgk s ALA 84 Cb -0.12 -3.34 1.85 0.00 0.00 0.00 0.00 23.12 21.51 2hgk s ALA 84 CO 0.23 -1.77 2.13 1.79 0.00 0.00 0.00 175.76 178.14 2hgk h THR 85 N -0.75 0.00 -1.72 0.00 1.35 -1.94 -3.43 112.91 106.42 2hgk h THR 85 Ca -0.45 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.20 2hgk h THR 85 Cb 1.25 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.82 2hgk h THR 85 CO 0.51 0.00 0.00 0.47 -0.25 0.00 0.00 175.52 176.25 2hgk n ASP 86 N -2.97 0.00 -2.53 5.36 9.92 -1.26 -4.90 116.55 120.18 2hgk n ASP 86 Ca -0.01 -0.30 -0.04 0.00 -0.53 0.00 0.00 54.79 53.91 2hgk n ASP 86 Cb 0.17 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 40.65 2hgk n ASP 86 CO 0.00 0.00 0.00 1.57 0.13 0.00 0.00 177.20 178.90 2hgk n HIS 87 N -0.53 -2.87 0.15 1.24 -0.00 -1.26 -4.73 115.22 107.22 2hgk n HIS 87 Ca 0.00 1.19 0.19 0.00 0.46 0.00 0.00 57.72 59.56 2hgk n HIS 87 Cb 0.00 -3.52 0.78 0.00 -0.12 0.00 0.00 29.99 27.13 2hgk n HIS 87 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 2hgk h PRO 88 N 1.82 0.00 0.00 1.57 0.11 -1.97 0.18 132.00 133.71 2hgk h PRO 88 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2hgk h PRO 88 Cb 0.55 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.66 2hgk h PRO 88 CO 0.13 0.00 0.00 1.96 -0.21 0.00 0.00 178.00 179.88 2hgk h GLN 89 N 0.00 0.00 -0.14 1.05 4.20 -2.01 -1.51 115.11 116.70 2hgk h GLN 89 Ca 0.14 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.82 2hgk h GLN 89 Cb 0.78 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.55 2hgk h GLN 89 CO -0.00 0.00 -0.08 -0.09 -0.67 0.00 0.00 178.83 177.98 2hgk h ARG 90 N 0.00 0.21 -0.88 1.46 2.43 -0.92 -2.58 114.38 114.09 2hgk h ARG 90 Ca 0.00 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.14 2hgk h ARG 90 Cb 0.09 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.56 2hgk h ARG 90 CO 0.00 0.31 0.58 0.00 -1.51 0.00 0.00 179.97 179.34 2hgk h ALA 91 N 1.72 1.35 -0.76 2.80 0.00 -1.46 0.34 119.26 123.26 2hgk h ALA 91 Ca 0.04 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2hgk h ALA 91 Cb 0.28 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2hgk h ALA 91 CO 0.01 0.59 0.30 -0.07 0.00 0.00 0.00 179.25 180.09 2hgk h LEU 92 N 1.20 1.05 -0.13 0.00 3.38 -1.62 0.11 115.31 119.30 2hgk h LEU 92 Ca 0.32 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 2hgk h LEU 92 Cb -0.13 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.35 2hgk h LEU 92 CO -0.07 0.94 -0.13 0.40 0.09 0.00 0.00 178.44 179.67 2hgk h ILE 93 N 1.10 1.35 0.07 1.22 2.04 -1.28 -2.41 117.51 119.61 2hgk h ILE 93 Ca 0.25 -1.28 0.00 0.00 1.00 0.00 0.00 64.86 64.83 2hgk h ILE 93 Cb 0.22 1.90 -0.01 0.00 -0.74 0.00 0.00 36.82 38.19 2hgk h ILE 93 CO -0.02 0.37 -0.07 -0.07 0.00 0.00 0.00 178.15 178.36 2hgk h LEU 94 N -0.06 -0.19 -1.31 1.44 3.38 -0.15 0.51 115.31 118.92 2hgk h LEU 94 Ca 0.02 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.06 2hgk h LEU 94 Cb 0.65 0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.43 2hgk h LEU 94 CO 0.03 -0.11 0.50 0.00 0.09 0.00 0.00 178.44 178.95 2hgk h ALA 95 N 0.76 1.61 -0.49 1.53 0.00 -0.85 0.37 119.26 122.20 2hgk h ALA 95 Ca 0.01 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 2hgk h ALA 95 Cb 0.16 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2hgk h ALA 95 CO -0.02 0.29 -0.15 1.49 0.00 0.00 0.00 179.25 180.86 2hgk h GLU 96 N 0.86 0.96 -0.28 0.00 4.57 -0.90 -1.97 114.58 117.83 2hgk h GLU 96 Ca 0.32 -0.38 -0.08 0.00 -1.18 0.00 0.00 59.36 58.03 2hgk h GLU 96 Cb 0.15 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.69 2hgk h GLU 96 CO -0.10 1.05 -0.15 -0.07 -1.18 0.00 0.00 179.01 178.56 2hgk h LEU 97 N 0.82 0.61 -2.06 1.64 3.38 0.39 -2.28 115.31 117.81 2hgk h LEU 97 Ca 0.12 -0.42 0.06 0.00 0.09 0.00 0.00 57.88 57.73 2hgk h LEU 97 Cb 0.71 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2hgk h LEU 97 CO 0.05 0.89 0.15 -0.33 0.09 0.00 0.00 178.44 179.29 2hgk h GLU 98 N 0.32 0.00 -0.09 1.13 5.08 -0.24 0.29 114.58 121.07 2hgk h GLU 98 Ca 0.06 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 2hgk h GLU 98 Cb 0.67 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 2hgk h GLU 98 CO 0.04 0.00 -0.07 -0.22 -1.00 0.00 0.00 179.01 177.76 2hgk h LYS 99 N 0.00 0.22 -0.22 2.33 3.64 -1.01 -2.48 116.57 119.04 2hgk h LYS 99 Ca 0.09 -0.11 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 2hgk h LYS 99 Cb 0.39 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 2hgk h LYS 99 CO -0.00 0.61 0.04 1.25 -2.27 0.00 0.00 179.45 179.08 2hgk h LEU 100 N -0.18 0.35 -0.89 5.20 5.85 -0.53 -2.07 115.31 123.03 2hgk h LEU 100 Ca 0.02 -0.25 0.08 0.00 0.84 0.00 0.00 57.88 58.57 2hgk h LEU 100 Cb 0.56 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.43 2hgk h LEU 100 CO 0.02 0.51 0.55 0.44 -0.34 0.00 0.00 178.44 179.62 2hgk h ASP 101 N 0.17 0.84 0.83 1.25 3.32 -0.58 0.49 116.42 122.74 2hgk h ASP 101 Ca 0.07 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 2hgk h ASP 101 Cb 0.31 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.71 2hgk h ASP 101 CO 0.00 0.51 -0.08 0.00 -1.72 0.00 0.00 179.24 177.95 2hgk h ALA 102 N 1.44 1.04 -0.01 3.45 0.00 -1.20 -2.29 119.26 121.70 2hgk h ALA 102 Ca 0.41 -0.08 -0.17 0.00 0.00 0.00 0.00 54.91 55.07 2hgk h ALA 102 Cb 0.27 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2hgk h ALA 102 CO -0.21 0.11 -0.76 -0.07 0.00 0.00 0.00 179.25 178.32 2hgk h LEU 103 N 0.00 0.15 -0.62 0.00 3.38 -0.20 -2.28 115.31 115.73 2hgk h LEU 103 Ca -0.00 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2hgk h LEU 103 Cb 0.52 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.23 2hgk h LEU 103 CO 0.01 0.85 0.00 -0.26 0.09 0.00 0.00 178.44 179.13 2hgk h PHE 104 N 0.07 0.00 -0.68 1.13 -1.00 -0.91 -2.02 116.94 113.53 2hgk h PHE 104 Ca -0.02 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.76 2hgk h PHE 104 Cb 1.33 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.89 2hgk h PHE 104 CO 0.01 0.00 0.00 0.00 -1.61 0.00 0.00 178.31 176.71 2hgk n ALA 105 N -1.97 2.80 -3.84 2.45 0.00 -1.04 -3.74 120.51 115.17 2hgk n ALA 105 Ca 0.03 -1.44 -0.26 0.00 0.00 0.00 0.00 53.44 51.77 2hgk n ALA 105 Cb 0.38 -0.99 -0.17 0.00 0.00 0.00 0.00 19.45 18.66 2hgk n ALA 105 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2hgk s ASP 106 N -0.93 2.21 0.00 0.00 2.15 -0.76 -5.04 116.67 114.29 2hgk s ASP 106 Ca 0.50 -0.37 0.00 0.00 0.43 0.00 0.00 52.55 53.11 2hgk s ASP 106 Cb 0.30 -0.69 0.00 0.00 -0.30 0.00 0.00 42.92 42.22 2hgk s ASP 106 CO 0.28 -0.18 0.00 -0.67 -0.17 0.00 0.00 175.17 174.43 2hgk n ASP 107 N 5.01 0.00 -4.77 -0.34 2.03 -1.26 -4.75 116.55 112.47 2hgk n ASP 107 Ca -0.10 -0.71 -0.39 0.00 0.52 0.00 0.00 54.79 54.11 2hgk n ASP 107 Cb 0.49 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.84 2hgk n ASP 107 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2hgk s ALA 108 N -1.00 3.27 -0.16 -1.67 0.00 -1.26 -4.94 121.76 115.99 2hgk s ALA 108 Ca 0.00 0.69 -0.08 0.00 0.00 0.00 0.00 51.96 52.57 2hgk s ALA 108 Cb 0.00 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 19.83 2hgk s ALA 108 CO 0.00 0.01 0.11 -1.12 0.00 0.00 0.00 175.76 174.76 2hgk s SER 109 N -1.29 6.10 0.19 0.00 0.01 -1.26 -4.89 113.70 112.56 2hgk s SER 109 Ca 0.48 0.27 -0.30 0.00 1.31 0.00 0.00 55.95 57.71 2hgk s SER 109 Cb -0.25 -2.02 -0.08 0.00 0.21 0.00 0.00 66.02 63.88 2hgk s SER 109 CO 0.31 0.26 0.97 -0.22 0.41 0.00 0.00 173.24 174.97 2hgk s LEU 110 N -0.15 4.57 0.38 2.44 2.96 -1.26 -5.05 118.68 122.58 2hgk s LEU 110 Ca 0.10 1.91 -0.19 0.00 -0.22 0.00 0.00 54.13 55.72 2hgk s LEU 110 Cb -0.12 -3.60 -0.10 0.00 0.50 0.00 0.00 46.19 42.87 2hgk s LEU 110 CO 0.00 0.03 0.87 -0.70 -1.32 0.00 0.00 176.35 175.23 2hgk s GLU 111 N -0.66 4.19 -0.11 1.98 2.12 -1.26 -5.08 118.70 119.89 2hgk s GLU 111 Ca 0.44 0.98 0.00 0.00 0.36 0.00 0.00 54.97 56.76 2hgk s GLU 111 Cb -0.25 -2.35 0.02 0.00 0.26 0.00 0.00 34.13 31.81 2hgk s GLU 111 CO 0.32 0.08 -0.09 -1.01 -0.54 0.00 0.00 175.26 174.02 2hgk s HIS 112 N -2.03 1.53 -0.02 5.30 3.76 -1.26 -5.04 115.29 117.53 2hgk s HIS 112 Ca 0.57 -0.74 -0.08 0.00 -0.15 0.00 0.00 55.06 54.66 2hgk s HIS 112 Cb -0.11 -1.23 -0.04 0.00 1.11 0.00 0.00 32.58 32.31 2hgk s HIS 112 CO 0.16 -0.48 0.52 0.45 -0.85 0.00 0.00 174.74 174.54 2hgk h HIS 113 N 7.93 -0.27 -3.32 1.40 -0.00 -2.02 -3.43 115.15 115.43 2hgk h HIS 113 Ca -0.31 -0.01 -0.66 0.00 -0.00 0.00 0.00 60.37 59.40 2hgk h HIS 113 Cb 1.14 0.09 -0.28 0.00 -0.00 0.00 0.00 27.41 28.36 2hgk h HIS 113 CO 0.48 -0.17 -0.75 -1.01 -0.00 0.00 0.00 177.93 176.48 2hgk s HIS 114 N -2.62 2.88 -0.26 2.45 3.76 -1.26 -4.99 115.29 115.25 2hgk s HIS 114 Ca -0.04 -0.85 0.28 0.00 -0.15 0.00 0.00 55.06 54.29 2hgk s HIS 114 Cb 0.00 -1.96 0.98 0.00 1.11 0.00 0.00 32.58 32.71 2hgk s HIS 114 CO 0.13 -0.40 1.81 0.45 -0.85 0.00 0.00 174.74 175.88 2hgk h HIS 115 N 7.41 0.00 -2.02 1.40 3.86 -2.02 -3.30 115.15 120.47 2hgk h HIS 115 Ca -0.35 0.00 -0.70 0.00 -1.16 0.00 0.00 60.37 58.16 2hgk h HIS 115 Cb 1.18 0.00 -0.16 0.00 1.06 0.00 0.00 27.41 29.49 2hgk h HIS 115 CO 0.54 0.00 1.28 -1.01 0.86 0.00 0.00 177.93 179.60 2hgk s HIS 116 N -3.41 3.21 0.00 2.45 3.76 -1.26 -5.20 115.29 114.84 2hgk s HIS 116 Ca 0.04 -1.72 0.00 0.00 -0.15 0.00 0.00 55.06 53.23 2hgk s HIS 116 Cb 0.09 -4.38 0.00 0.00 1.11 0.00 0.00 32.58 29.39 2hgk s HIS 116 CO 0.54 -1.52 0.00 1.58 -0.85 0.00 0.00 174.74 174.50