#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 0.00 -0.45 2.03 1.35 -2.05 -3.23 112.91 110.56 2hgk h THR 2 Ca 0.00 -0.62 -0.01 0.00 -0.55 0.00 0.00 66.41 65.24 2hgk h THR 2 Cb 0.00 1.58 -0.02 0.00 -1.73 0.00 0.00 68.15 67.97 2hgk h THR 2 CO 0.00 0.00 0.26 0.74 -0.25 0.00 0.00 175.52 176.27 2hgk h THR 3 N 0.00 1.15 -0.22 6.82 2.02 -1.98 0.44 112.91 121.14 2hgk h THR 3 Ca 0.00 -0.37 -0.00 0.00 0.77 0.00 0.00 66.41 66.81 2hgk h THR 3 Cb 0.67 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 2hgk h THR 3 CO 0.00 0.16 0.13 0.45 0.37 0.00 0.00 175.52 176.63 2hgk h HIS 4 N 0.59 0.29 -0.02 3.16 -0.00 -1.92 -1.98 115.15 115.28 2hgk h HIS 4 Ca 0.16 -0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 60.48 2hgk h HIS 4 Cb 0.02 -0.10 -0.01 0.00 -0.00 0.00 0.00 27.41 27.33 2hgk h HIS 4 CO -0.03 0.24 -0.21 -0.44 -0.00 0.00 0.00 177.93 177.49 2hgk h ASP 5 N 0.26 0.03 -0.28 2.45 5.19 -1.59 -1.68 116.42 120.80 2hgk h ASP 5 Ca 0.08 -0.01 -0.10 0.00 -0.62 0.00 0.00 57.03 56.38 2hgk h ASP 5 Cb 0.03 -0.01 -0.02 0.00 0.18 0.00 0.00 39.33 39.52 2hgk h ASP 5 CO -0.01 0.24 -0.19 -0.09 -3.12 0.00 0.00 179.24 176.07 2hgk h ARG 6 N 0.03 0.74 -0.63 3.56 2.43 0.38 0.11 114.38 120.99 2hgk h ARG 6 Ca 0.00 -0.28 -0.05 0.00 -0.81 0.00 0.00 59.98 58.85 2hgk h ARG 6 Cb 0.39 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.87 2hgk h ARG 6 CO 0.03 0.87 0.20 0.28 -1.51 0.00 0.00 179.97 179.84 2hgk h VAL 7 N 0.66 1.25 -0.53 0.20 2.07 -0.62 -0.17 116.25 119.10 2hgk h VAL 7 Ca 0.10 -0.84 0.03 0.00 0.82 0.00 0.00 66.70 66.80 2hgk h VAL 7 Cb 0.67 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 2hgk h VAL 7 CO 0.05 0.32 0.32 -0.09 0.02 0.00 0.00 177.57 178.19 2hgk h ARG 8 N 0.91 0.61 -0.41 1.57 2.43 -0.70 0.85 114.38 119.63 2hgk h ARG 8 Ca 0.20 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.26 2hgk h ARG 8 Cb 0.29 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 2hgk h ARG 8 CO -0.01 0.40 -0.07 -0.07 -1.51 0.00 0.00 179.97 178.72 2hgk h LEU 9 N 0.62 0.68 -0.70 3.80 3.38 -0.53 -2.42 115.31 120.14 2hgk h LEU 9 Ca 0.21 -0.18 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 2hgk h LEU 9 Cb 0.03 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2hgk h LEU 9 CO -0.10 0.79 -0.47 -0.61 0.09 0.00 0.00 178.44 178.14 2hgk h GLN 10 N 0.64 0.42 -0.73 1.13 5.75 -0.36 -1.58 115.11 120.39 2hgk h GLN 10 Ca 0.12 -0.23 -0.00 0.00 -0.15 0.00 0.00 58.65 58.38 2hgk h GLN 10 Cb 0.50 0.01 -0.04 0.00 1.07 0.00 0.00 27.48 29.03 2hgk h GLN 10 CO 0.03 0.81 0.44 -0.07 -2.65 0.00 0.00 178.83 177.39 2hgk h LEU 11 N 0.34 0.87 -0.62 -2.39 3.38 -0.51 0.26 115.31 116.64 2hgk h LEU 11 Ca 0.02 -0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 2hgk h LEU 11 Cb 0.96 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 2hgk h LEU 11 CO 0.08 0.66 0.03 1.56 0.09 0.00 0.00 178.44 180.87 2hgk h GLN 12 N 1.00 1.08 -0.65 1.13 4.20 -0.96 0.73 115.11 121.65 2hgk h GLN 12 Ca 0.26 -0.33 -0.05 0.00 0.06 0.00 0.00 58.65 58.59 2hgk h GLN 12 Cb -0.05 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.60 2hgk h GLN 12 CO -0.05 1.04 0.22 0.00 -0.67 0.00 0.00 178.83 179.36 2hgk h ALA 13 N 1.00 0.86 -0.28 3.87 0.00 -0.38 0.22 119.26 124.55 2hgk h ALA 13 Ca 0.18 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2hgk h ALA 13 Cb 0.53 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2hgk h ALA 13 CO 0.03 0.52 0.14 1.25 0.00 0.00 0.00 179.25 181.19 2hgk h LEU 14 N 0.94 0.35 -0.37 0.00 6.46 -0.26 0.68 115.31 123.12 2hgk h LEU 14 Ca 0.21 -0.10 0.04 0.00 -0.12 0.00 0.00 57.88 57.91 2hgk h LEU 14 Cb 0.28 -0.09 -0.04 0.00 -0.73 0.00 0.00 40.66 40.07 2hgk h LEU 14 CO -0.01 0.36 0.14 -0.08 -0.62 0.00 0.00 178.44 178.22 2hgk h GLU 15 N 0.32 0.28 -0.74 1.25 4.81 -0.55 -1.46 114.58 118.50 2hgk h GLU 15 Ca 0.10 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.34 2hgk h GLU 15 Cb 0.09 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.36 2hgk h GLU 15 CO -0.01 0.19 0.46 0.00 -0.73 0.00 0.00 179.01 178.91 2hgk h ALA 16 N 1.23 0.97 -0.38 2.92 0.00 -0.21 0.21 119.26 124.00 2hgk h ALA 16 Ca 0.17 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2hgk h ALA 16 Cb 0.14 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2hgk h ALA 16 CO -0.17 0.24 0.22 1.25 0.00 0.00 0.00 179.25 180.79 2hgk h LEU 17 N 0.89 0.46 -0.84 0.00 6.46 -0.37 0.22 115.31 122.13 2hgk h LEU 17 Ca 0.30 -0.06 -0.10 0.00 -0.12 0.00 0.00 57.88 57.89 2hgk h LEU 17 Cb 0.04 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 39.84 2hgk h LEU 17 CO -0.12 0.39 -0.23 -0.07 -0.62 0.00 0.00 178.44 177.79 2hgk h LEU 18 N 0.49 0.61 -0.44 2.25 3.38 -0.85 -2.85 115.31 117.90 2hgk h LEU 18 Ca 0.13 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 2hgk h LEU 18 Cb 0.02 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 2hgk h LEU 18 CO -0.02 0.83 0.09 -0.09 0.09 0.00 0.00 178.44 179.34 2hgk h ARG 19 N 0.53 0.72 -0.67 1.13 2.43 0.02 0.30 114.38 118.84 2hgk h ARG 19 Ca 0.08 -0.18 0.06 0.00 -0.81 0.00 0.00 59.98 59.12 2hgk h ARG 19 Cb 0.69 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 30.09 2hgk h ARG 19 CO 0.05 0.74 0.38 0.93 -1.51 0.00 0.00 179.97 180.55 2hgk h GLU 20 N 0.58 0.68 -0.62 0.20 5.08 -0.42 -1.58 114.58 118.50 2hgk h GLU 20 Ca 0.14 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2hgk h GLU 20 Cb 0.35 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2hgk h GLU 20 CO 0.01 0.45 0.00 0.72 -1.00 0.00 0.00 179.01 179.18 2hgk n HIS 21 N -4.78 1.03 -3.94 4.33 8.25 -1.09 -4.93 115.22 114.08 2hgk n HIS 21 Ca 0.08 -0.45 -0.28 0.00 -0.26 0.00 0.00 57.72 56.81 2hgk n HIS 21 Cb 0.17 -0.11 0.00 0.00 1.12 0.00 0.00 29.99 31.18 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 1.09 -4.25 -0.47 -0.41 6.02 -0.20 -4.85 117.38 114.31 2hgk n GLN 22 Ca 0.21 0.50 0.10 0.00 -0.01 0.00 0.00 57.00 57.79 2hgk n GLN 22 Cb 0.63 -5.05 0.32 0.00 1.02 0.00 0.00 30.24 27.16 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 -4.45 1.16 -3.91 1.08 8.25 0.90 -4.86 115.22 113.39 2hgk n HIS 23 Ca -0.13 -0.57 -0.35 0.00 -0.26 0.00 0.00 57.72 56.40 2hgk n HIS 23 Cb 0.60 -0.14 -0.14 0.00 1.12 0.00 0.00 29.99 31.43 2hgk n HIS 23 CO 0.00 0.00 0.00 -0.46 0.64 0.00 0.00 176.34 176.52 2hgk s TRP 24 N -1.50 3.03 -0.09 4.41 -0.11 -1.24 -4.96 118.94 118.47 2hgk s TRP 24 Ca 0.46 -1.19 0.02 0.00 1.22 0.00 0.00 56.10 56.61 2hgk s TRP 24 Cb 0.28 -2.11 -0.02 0.00 -1.50 0.00 0.00 33.47 30.12 2hgk s TRP 24 CO 0.26 -0.63 -0.13 1.03 -4.62 0.00 0.00 176.95 172.86 2hgk s ARG 25 N 1.42 2.94 -0.74 5.86 0.52 -1.26 -4.98 118.95 122.71 2hgk s ARG 25 Ca 0.03 -0.68 -0.26 0.00 -0.52 0.00 0.00 55.73 54.30 2hgk s ARG 25 Cb -0.16 -2.51 0.01 0.00 0.52 0.00 0.00 34.95 32.82 2hgk s ARG 25 CO -0.03 0.43 1.48 1.21 0.02 0.00 0.00 175.30 178.41 2hgk s ASN 26 N -0.22 5.90 0.06 0.23 2.47 -1.26 -4.94 114.94 117.18 2hgk s ASN 26 Ca 0.01 -0.34 0.01 0.00 0.42 0.00 0.00 52.86 52.97 2hgk s ASN 26 Cb -0.13 -2.55 -0.03 0.00 -1.45 0.00 0.00 41.25 37.09 2hgk s ASN 26 CO 0.03 -2.00 -0.06 -0.62 -3.72 0.00 0.00 177.10 170.73 2hgk s ASP 27 N 5.23 0.82 -0.33 -4.21 2.15 -1.26 -5.13 116.67 113.93 2hgk s ASP 27 Ca 0.46 -0.71 -0.07 0.00 0.43 0.00 0.00 52.55 52.66 2hgk s ASP 27 Cb -0.08 0.08 0.03 0.00 -0.30 0.00 0.00 42.92 42.64 2hgk s ASP 27 CO 0.14 -0.32 0.12 -1.83 -0.17 0.00 0.00 175.17 173.10 2hgk s GLU 28 N -2.39 2.79 -0.31 4.34 -1.05 -1.26 -5.05 118.70 115.77 2hgk s GLU 28 Ca -0.03 -1.07 -0.28 0.00 -0.15 0.00 0.00 54.97 53.43 2hgk s GLU 28 Cb -0.04 -3.49 -0.02 0.00 -0.44 0.00 0.00 34.13 30.14 2hgk s GLU 28 CO -0.02 -0.61 1.76 -2.14 0.95 0.00 0.00 175.26 175.20 2hgk s PRO 29 N 1.46 3.42 0.70 -4.83 0.02 -1.26 -4.98 135.00 129.53 2hgk s PRO 29 Ca 0.00 1.46 -0.13 0.00 0.02 0.00 0.00 61.00 62.35 2hgk s PRO 29 Cb -0.19 -4.17 0.02 0.00 0.02 0.00 0.00 34.50 30.19 2hgk s PRO 29 CO 0.03 -1.75 1.10 -0.65 -0.33 0.00 0.00 177.00 175.40 2hgk s GLN 30 N 5.48 2.58 0.34 5.54 -0.21 -1.26 -4.90 119.66 127.22 2hgk s GLN 30 Ca 0.78 1.31 0.12 0.00 0.02 0.00 0.00 55.36 57.59 2hgk s GLN 30 Cb -0.23 -1.93 0.95 0.00 1.00 0.00 0.00 33.01 32.80 2hgk s GLN 30 CO 0.33 -1.41 1.74 -1.35 -2.12 0.00 0.00 175.29 172.48 2hgk h PRO 31 N -0.43 0.51 -0.30 2.91 0.11 -2.00 0.06 132.00 132.86 2hgk h PRO 31 Ca -0.45 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 2hgk h PRO 31 Cb 1.24 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 2hgk h PRO 31 CO 0.53 0.34 0.11 1.25 -0.21 0.00 0.00 178.00 180.02 2hgk h HIS 32 N 0.53 0.42 -0.57 0.65 2.76 -1.99 -0.70 115.15 116.24 2hgk h HIS 32 Ca 0.64 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.77 2hgk h HIS 32 Cb 1.32 -0.13 -0.03 0.00 1.55 0.00 0.00 27.41 30.12 2hgk h HIS 32 CO -0.01 0.34 0.27 1.96 -1.30 0.00 0.00 177.93 179.20 2hgk h GLN 33 N 0.43 0.81 0.00 5.26 7.50 -1.33 -2.08 115.11 125.70 2hgk h GLN 33 Ca 0.11 -0.10 0.00 0.00 0.50 0.00 0.00 58.65 59.16 2hgk h GLN 33 Cb 0.10 -0.15 0.00 0.00 0.05 0.00 0.00 27.48 27.48 2hgk h GLN 33 CO -0.01 0.63 -0.39 1.19 -1.50 0.00 0.00 178.83 178.75 2hgk n PHE 34 N -4.36 0.61 0.29 2.96 3.72 -0.39 -3.67 117.46 116.62 2hgk n PHE 34 Ca 0.05 0.18 0.17 0.00 -0.05 0.00 0.00 57.45 57.80 2hgk n PHE 34 Cb 0.13 -0.71 0.85 0.00 -0.94 0.00 0.00 39.48 38.81 2hgk n PHE 34 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 2hgk h ASN 35 N 0.00 0.00 -0.90 4.37 -0.26 -0.49 -0.05 115.58 118.26 2hgk h ASN 35 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 2hgk h ASN 35 Cb 0.72 0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 37.93 2hgk h ASN 35 CO 0.00 0.00 0.57 0.77 -1.06 0.00 0.00 177.43 177.71 2hgk h SER 36 N 0.00 1.05 -6.14 5.81 4.64 -1.67 -3.47 113.55 113.77 2hgk h SER 36 Ca 0.00 -0.05 -0.36 0.00 -0.47 0.00 0.00 61.79 60.92 2hgk h SER 36 Cb 0.17 -0.26 0.06 0.00 -0.31 0.00 0.00 62.40 62.05 2hgk h SER 36 CO 0.00 0.78 -0.79 0.41 -0.87 0.00 0.00 176.83 176.37 2hgk n THR 37 N -4.43 -6.30 -4.21 2.95 -1.04 -0.03 -5.02 114.28 96.20 2hgk n THR 37 Ca 0.10 -0.65 -0.18 0.00 -2.04 0.00 0.00 64.05 61.28 2hgk n THR 37 Cb 0.03 -4.63 -0.11 0.00 -1.82 0.00 0.00 70.33 63.80 2hgk n THR 37 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 2hgk s GLN 38 N -5.17 0.94 0.24 -2.82 -0.21 -1.26 -5.00 119.66 106.38 2hgk s GLN 38 Ca 0.29 -1.14 -0.10 0.00 0.02 0.00 0.00 55.36 54.43 2hgk s GLN 38 Cb -0.10 -0.84 0.35 0.00 1.00 0.00 0.00 33.01 33.42 2hgk s GLN 38 CO 0.84 0.17 1.61 -1.35 -2.12 0.00 0.00 175.29 174.44 2hgk h PRO 39 N 3.77 0.02 -0.28 2.91 0.11 -2.02 0.32 132.00 136.84 2hgk h PRO 39 Ca -0.40 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2hgk h PRO 39 Cb 1.19 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2hgk h PRO 39 CO 0.47 0.02 0.00 1.19 -0.21 0.00 0.00 178.00 179.47 2hgk n PHE 40 N -5.46 0.38 -3.66 0.65 3.01 -1.26 -4.96 117.46 106.16 2hgk n PHE 40 Ca 0.11 -0.43 -0.28 0.00 1.01 0.00 0.00 57.45 57.86 2hgk n PHE 40 Cb 0.42 -0.02 0.01 0.00 -0.01 0.00 0.00 39.48 39.87 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 0.47 -2.01 -0.70 1.38 3.72 0.10 -4.62 117.46 115.80 2hgk n PHE 41 Ca 0.10 0.69 -0.11 0.00 -0.05 0.00 0.00 57.45 58.08 2hgk n PHE 41 Cb 0.39 -3.51 -0.09 0.00 -0.94 0.00 0.00 39.48 35.33 2hgk n PHE 41 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2hgk n MET 42 N -4.23 1.54 0.05 -1.08 0.00 -1.26 -2.76 117.12 109.38 2hgk n MET 42 Ca 0.01 -0.85 0.00 0.00 0.00 0.00 0.00 57.70 56.86 2hgk n MET 42 Cb 0.53 -1.97 0.00 0.00 0.00 0.00 0.00 33.22 31.79 2hgk n MET 42 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 2hgk n ASP 43 N 2.95 -0.60 0.15 3.17 -0.08 -1.26 -4.94 116.55 115.94 2hgk n ASP 43 Ca 0.33 0.18 0.04 0.00 -1.51 0.00 0.00 54.79 53.83 2hgk n ASP 43 Cb 0.52 0.79 0.05 0.00 2.34 0.00 0.00 41.12 44.82 2hgk n ASP 43 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 2hgk h THR 44 N 0.00 0.69 -3.00 5.18 2.02 -1.85 -3.46 112.91 112.50 2hgk h THR 44 Ca 0.00 -1.98 -0.42 0.00 0.77 0.00 0.00 66.41 64.78 2hgk h THR 44 Cb 0.00 2.34 -0.14 0.00 -1.74 0.00 0.00 68.15 68.60 2hgk h THR 44 CO 0.00 0.39 -0.70 -0.04 0.37 0.00 0.00 175.52 175.54 2hgk s MET 45 N -3.01 1.34 0.19 6.66 -1.94 -1.11 -4.96 119.30 116.47 2hgk s MET 45 Ca 0.04 -1.63 -0.30 0.00 -1.71 0.00 0.00 55.69 52.09 2hgk s MET 45 Cb 0.07 -0.94 -0.08 0.00 2.01 0.00 0.00 34.83 35.90 2hgk s MET 45 CO 0.73 0.07 1.12 -1.21 -0.01 0.00 0.00 175.02 175.72 2hgk s GLU 46 N -3.73 4.58 0.64 2.03 0.41 -1.26 -4.43 118.70 116.93 2hgk s GLU 46 Ca 0.24 1.76 0.36 0.00 -0.41 0.00 0.00 54.97 56.92 2hgk s GLU 46 Cb 0.02 -3.26 2.02 0.00 -1.78 0.00 0.00 34.13 31.13 2hgk s GLU 46 CO 0.07 0.06 2.21 -1.35 -0.49 0.00 0.00 175.26 175.76 2hgk h PRO 47 N 4.99 0.00 -0.06 0.39 0.11 -1.87 -0.75 132.00 134.81 2hgk h PRO 47 Ca -0.45 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.47 2hgk h PRO 47 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 2hgk h PRO 47 CO 0.72 0.00 -0.79 1.25 -0.21 0.00 0.00 178.00 178.97 2hgk h LEU 48 N 0.00 0.53 -1.33 2.35 5.85 -1.92 -3.05 115.31 117.74 2hgk h LEU 48 Ca 0.02 -0.37 -0.02 0.00 0.84 0.00 0.00 57.88 58.35 2hgk h LEU 48 Cb 0.23 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.10 2hgk h LEU 48 CO -0.00 1.13 -0.11 -0.33 -0.34 0.00 0.00 178.44 178.78 2hgk h GLU 49 N 0.28 0.00 -0.39 1.25 4.39 -1.52 -2.83 114.58 115.76 2hgk h GLU 49 Ca -0.04 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.69 2hgk h GLU 49 Cb 1.39 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.01 2hgk h GLU 49 CO 0.14 0.11 0.26 2.35 -1.16 0.00 0.00 179.01 180.71 2hgk h TRP 50 N 0.00 0.38 -0.61 4.33 7.01 -1.41 -1.52 115.95 124.14 2hgk h TRP 50 Ca -0.00 0.01 -0.06 0.00 2.11 0.00 0.00 58.89 60.94 2hgk h TRP 50 Cb 0.61 -0.13 -0.03 0.00 -2.10 0.00 0.00 29.16 27.52 2hgk h TRP 50 CO 0.00 0.22 0.12 -0.07 -2.79 0.00 0.00 178.44 175.93 2hgk h LEU 51 N 0.40 0.91 0.00 0.65 3.38 -1.64 0.35 115.31 119.35 2hgk h LEU 51 Ca 0.16 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2hgk h LEU 51 Cb 0.14 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.65 2hgk h LEU 51 CO -0.04 0.90 0.00 0.00 0.09 0.00 0.00 178.44 179.39 2hgk n GLN 52 N -4.24 0.00 -0.19 1.13 6.02 -0.58 -3.26 117.38 116.26 2hgk n GLN 52 Ca 0.04 0.38 0.12 0.00 -0.01 0.00 0.00 57.00 57.54 2hgk n GLN 52 Cb 0.26 -1.03 0.23 0.00 1.02 0.00 0.00 30.24 30.71 2hgk n GLN 52 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 2hgk n TRP 53 N -1.65 0.51 0.00 1.08 7.02 -1.17 -4.40 117.44 118.82 2hgk n TRP 53 Ca 0.00 -0.25 0.00 0.00 -1.02 0.00 0.00 57.50 56.23 2hgk n TRP 53 Cb 0.00 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.89 2hgk n TRP 53 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 2hgk n VAL 54 N 1.46 0.00 0.07 -0.99 0.31 -1.09 -4.73 118.33 113.35 2hgk n VAL 54 Ca 0.19 0.03 -0.15 0.00 -0.01 0.00 0.00 64.34 64.41 2hgk n VAL 54 Cb 0.60 -0.87 -0.08 0.00 -0.91 0.00 0.00 33.84 32.57 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 0.00 -1.47 0.34 7.52 5.85 -0.45 0.31 115.31 127.42 2hgk h LEU 55 Ca 0.00 0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 2hgk h LEU 55 Cb 0.00 0.56 0.00 0.00 0.37 0.00 0.00 40.66 41.60 2hgk h LEU 55 CO 0.00 -0.50 -0.16 0.40 -0.34 0.00 0.00 178.44 177.83 2hgk h ILE 56 N -0.65 0.68 -0.98 4.05 2.04 -1.76 0.88 117.51 121.78 2hgk h ILE 56 Ca 0.03 -0.17 0.06 0.00 1.00 0.00 0.00 64.86 65.77 2hgk h ILE 56 Cb 0.70 0.77 -0.06 0.00 -0.74 0.00 0.00 36.82 37.49 2hgk h ILE 56 CO -0.33 0.04 0.64 -0.65 0.00 0.00 0.00 178.15 177.85 2hgk h PRO 57 N -0.55 1.13 0.22 2.37 0.11 -1.75 -0.13 132.00 133.40 2hgk h PRO 57 Ca -0.05 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 65.98 2hgk h PRO 57 Cb 0.41 -0.26 0.00 0.00 0.11 0.00 0.00 31.00 31.27 2hgk h PRO 57 CO 0.08 0.75 -0.11 -0.09 -0.21 0.00 0.00 178.00 178.42 2hgk h ARG 58 N 1.17 -0.28 -0.06 1.05 2.43 -0.07 -2.67 114.38 115.94 2hgk h ARG 58 Ca 0.41 0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.53 2hgk h ARG 58 Cb 0.13 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 2hgk h ARG 58 CO -0.15 -0.14 -0.30 0.52 -1.51 0.00 0.00 179.97 178.39 2hgk h MET 59 N -0.36 0.11 -0.71 0.20 2.86 -0.61 -1.38 114.93 115.04 2hgk h MET 59 Ca -0.03 -0.04 0.08 0.00 -2.06 0.00 0.00 59.70 57.65 2hgk h MET 59 Cb 0.28 -0.01 -0.07 0.00 0.06 0.00 0.00 31.60 31.86 2hgk h MET 59 CO 0.05 0.41 0.38 0.45 1.06 0.00 0.00 176.91 179.26 2hgk h HIS 60 N 0.10 0.68 0.03 -0.22 3.86 -0.77 0.22 115.15 119.05 2hgk h HIS 60 Ca 0.01 0.03 -0.23 0.00 -1.16 0.00 0.00 60.37 59.02 2hgk h HIS 60 Cb 0.59 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.86 2hgk h HIS 60 CO 0.00 0.28 -1.00 0.22 0.86 0.00 0.00 177.93 178.29 2hgk h ASP 61 N 0.65 0.50 -0.75 2.45 3.58 -1.09 -1.75 116.42 120.02 2hgk h ASP 61 Ca 0.34 -0.43 0.07 0.00 0.42 0.00 0.00 57.03 57.43 2hgk h ASP 61 Cb 0.31 -0.16 -0.06 0.00 1.72 0.00 0.00 39.33 41.15 2hgk h ASP 61 CO -0.24 1.24 0.43 0.25 -2.88 0.00 0.00 179.24 178.05 2hgk h LEU 62 N 0.19 0.65 -0.56 2.28 5.85 -0.72 0.18 115.31 123.18 2hgk h LEU 62 Ca -0.09 0.03 -0.14 0.00 0.84 0.00 0.00 57.88 58.52 2hgk h LEU 62 Cb 1.65 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.57 2hgk h LEU 62 CO 0.17 0.41 -0.41 -0.07 -0.34 0.00 0.00 178.44 178.20 2hgk h LEU 63 N 0.78 0.75 -1.21 2.25 3.38 -0.91 -2.84 115.31 117.50 2hgk h LEU 63 Ca 0.34 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2hgk h LEU 63 Cb 0.22 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2hgk h LEU 63 CO -0.19 1.06 0.15 -0.78 0.09 0.00 0.00 178.44 178.77 2hgk h ASP 64 N 0.57 0.64 0.90 -0.43 3.58 -0.35 -0.45 116.42 120.87 2hgk h ASP 64 Ca 0.05 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.41 2hgk h ASP 64 Cb 0.94 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.83 2hgk h ASP 64 CO 0.09 0.61 0.00 0.78 -2.88 0.00 0.00 179.24 177.84 2hgk h ASN 65 N 0.69 0.00 -4.20 2.28 -0.26 -0.47 -3.47 115.58 110.15 2hgk h ASN 65 Ca 0.16 0.00 -0.34 0.00 -0.56 0.00 0.00 56.30 55.56 2hgk h ASN 65 Cb 0.20 0.00 0.07 0.00 -1.06 0.00 0.00 38.32 37.54 2hgk h ASN 65 CO -0.01 0.00 -0.53 0.29 -1.06 0.00 0.00 177.43 176.12 2hgk n LYS 66 N -2.38 -4.93 -2.18 0.81 5.02 -0.18 -4.99 118.16 109.33 2hgk n LYS 66 Ca 0.02 0.75 -0.33 0.00 -2.02 0.00 0.00 58.31 56.73 2hgk n LYS 66 Cb 0.27 -5.33 -0.00 0.00 -0.02 0.00 0.00 35.03 29.95 2hgk n LYS 66 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2hgk s GLN 67 N -5.69 3.42 0.00 1.97 -1.52 -1.17 -4.90 119.66 111.77 2hgk s GLN 67 Ca 0.33 1.29 0.00 0.00 -1.95 0.00 0.00 55.36 55.03 2hgk s GLN 67 Cb -0.14 -2.04 0.00 0.00 -0.22 0.00 0.00 33.01 30.60 2hgk s GLN 67 CO 0.41 -0.74 0.38 -2.30 -0.25 0.00 0.00 175.29 172.79 2hgk n PRO 68 N -1.70 0.58 -1.20 2.91 -0.02 -1.26 -4.93 135.00 129.38 2hgk n PRO 68 Ca 0.09 0.00 0.15 0.00 -2.02 0.00 0.00 63.50 61.72 2hgk n PRO 68 Cb 0.53 -1.27 -0.07 0.00 -0.02 0.00 0.00 33.50 32.67 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 0.35 -0.82 0.05 2.45 4.77 -1.26 -4.49 117.00 118.05 2hgk n LEU 69 Ca 0.00 1.90 -0.01 0.00 -0.03 0.00 0.00 56.01 57.86 2hgk n LEU 69 Cb 0.19 -3.01 0.27 0.00 -2.33 0.00 0.00 43.42 38.53 2hgk n LEU 69 CO 0.00 -2.03 0.79 -0.65 -1.33 0.00 0.00 177.39 174.17 2hgk h PRO 70 N -1.17 0.40 0.00 3.23 0.11 -1.92 -3.48 132.00 129.16 2hgk h PRO 70 Ca -0.13 -0.13 0.00 0.00 0.11 0.00 0.00 66.00 65.85 2hgk h PRO 70 Cb 1.14 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2hgk h PRO 70 CO 0.06 0.58 0.00 0.41 -0.21 0.00 0.00 178.00 178.84 2hgk n GLY 71 N -0.56 3.28 2.36 -0.55 0.00 -1.25 -4.87 105.19 103.60 2hgk n GLY 71 Ca -0.00 -0.92 -0.21 0.00 0.00 0.00 0.00 46.02 44.89 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 0.00 1.76 -3.19 4.61 0.00 -1.26 -3.38 120.51 119.05 2hgk n ALA 72 Ca 0.00 -2.89 -0.46 0.00 0.00 0.00 0.00 53.44 50.09 2hgk n ALA 72 Cb 0.00 -0.91 -0.02 0.00 0.00 0.00 0.00 19.45 18.52 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 -0.44 3.54 -0.37 0.00 5.36 -1.26 -4.98 117.98 119.82 2hgk s PHE 73 Ca 0.34 -1.79 -0.03 0.00 -0.96 0.00 0.00 56.93 54.49 2hgk s PHE 73 Cb 0.13 -3.98 0.08 0.00 -0.34 0.00 0.00 43.02 38.91 2hgk s PHE 73 CO -0.15 -1.17 0.14 0.00 -1.46 0.00 0.00 175.22 172.58 2hgk s ALA 74 N 1.04 3.05 -2.19 11.12 0.00 -1.26 -3.97 121.76 129.55 2hgk s ALA 74 Ca 0.23 -2.21 0.24 0.00 0.00 0.00 0.00 51.96 50.22 2hgk s ALA 74 Cb -0.08 -2.27 0.21 0.00 0.00 0.00 0.00 23.12 20.98 2hgk s ALA 74 CO -0.09 -1.59 1.23 1.33 0.00 0.00 0.00 175.76 176.64 2hgk n VAL 75 N 4.64 0.00 -0.01 0.00 0.24 -1.26 -4.45 118.33 117.49 2hgk n VAL 75 Ca -0.07 -0.28 -0.11 0.00 -2.04 0.00 0.00 64.34 61.85 2hgk n VAL 75 Cb 0.42 1.12 -0.05 0.00 -1.47 0.00 0.00 33.84 33.86 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 4.03 0.12 -0.19 2.33 0.00 -1.89 0.39 119.26 124.04 2hgk h ALA 76 Ca 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2hgk h ALA 76 Cb 0.75 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2hgk h ALA 76 CO 0.00 -0.42 0.03 -1.35 0.00 0.00 0.00 179.25 177.52 2hgk h PRO 77 N 0.10 0.27 -0.17 0.00 0.11 -1.98 -1.60 132.00 128.73 2hgk h PRO 77 Ca 0.05 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 66.05 2hgk h PRO 77 Cb 0.02 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.08 2hgk h PRO 77 CO -0.05 0.27 -0.16 -0.92 -0.21 0.00 0.00 178.00 176.93 2hgk h TYR 78 N 0.27 0.49 0.00 0.65 3.20 -1.65 -3.02 116.97 116.90 2hgk h TYR 78 Ca 0.07 -0.14 0.00 0.00 3.14 0.00 0.00 58.73 61.79 2hgk h TYR 78 Cb 0.13 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.30 2hgk h TYR 78 CO 0.00 0.78 0.00 0.66 -1.64 0.00 0.00 178.16 177.96 2hgk n TYR 79 N -4.52 0.56 0.61 -3.82 4.01 0.07 -0.33 117.16 113.75 2hgk n TYR 79 Ca -0.06 0.19 0.11 0.00 -0.16 0.00 0.00 57.90 57.98 2hgk n TYR 79 Cb 0.37 -0.81 0.44 0.00 -0.31 0.00 0.00 39.34 39.03 2hgk n TYR 79 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 2hgk n GLU 80 N -1.99 0.08 -0.06 -0.72 2.13 -0.63 -1.49 120.64 117.98 2hgk n GLU 80 Ca 0.04 0.23 -0.09 0.00 0.66 0.00 0.00 57.16 58.00 2hgk n GLU 80 Cb 0.30 -1.63 -0.05 0.00 0.27 0.00 0.00 31.44 30.33 2hgk n GLU 80 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 2hgk n MET 81 N -1.79 0.27 -0.06 5.31 2.81 -0.37 -4.57 117.12 118.73 2hgk n MET 81 Ca 0.04 0.08 0.00 0.00 -1.81 0.00 0.00 57.70 56.01 2hgk n MET 81 Cb 0.26 -1.13 0.29 0.00 -0.71 0.00 0.00 33.22 31.93 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 -0.13 1.42 -2.45 3.04 0.00 -0.73 -3.42 119.26 116.99 2hgk h ALA 82 Ca -0.26 -0.15 -0.53 0.00 0.00 0.00 0.00 54.91 53.96 2hgk h ALA 82 Cb 1.35 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.90 2hgk h ALA 82 CO -0.08 0.43 -0.54 -1.17 0.00 0.00 0.00 179.25 177.90 2hgk s LEU 83 N -9.31 3.87 0.49 0.00 2.96 -0.55 -4.95 118.68 111.18 2hgk s LEU 83 Ca -0.09 -0.15 -0.22 0.00 -0.22 0.00 0.00 54.13 53.45 2hgk s LEU 83 Cb 0.16 -2.44 -0.07 0.00 0.50 0.00 0.00 46.19 44.35 2hgk s LEU 83 CO 0.77 0.01 1.22 0.00 -1.32 0.00 0.00 176.35 177.03 2hgk s ALA 84 N -1.93 2.92 -1.29 5.97 0.00 -1.26 -4.64 121.76 121.53 2hgk s ALA 84 Ca 0.32 1.05 0.27 0.00 0.00 0.00 0.00 51.96 53.59 2hgk s ALA 84 Cb -0.09 -3.44 1.28 0.00 0.00 0.00 0.00 23.12 20.88 2hgk s ALA 84 CO 0.25 -0.86 1.89 0.25 0.00 0.00 0.00 175.76 177.28 2hgk n THR 85 N -0.66 0.15 -1.97 0.00 -2.24 -1.26 -4.77 114.28 103.53 2hgk n THR 85 Ca 0.08 0.04 -0.28 0.00 -2.27 0.00 0.00 64.05 61.62 2hgk n THR 85 Cb 0.47 -0.59 0.08 0.00 -2.10 0.00 0.00 70.33 68.19 2hgk n THR 85 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2hgk s ASP 86 N -2.71 4.74 -0.19 3.42 -1.08 -1.26 -4.78 116.67 114.81 2hgk s ASP 86 Ca 0.21 0.77 -0.02 0.00 -0.52 0.00 0.00 52.55 52.99 2hgk s ASP 86 Cb 0.18 -1.35 0.00 0.00 -1.46 0.00 0.00 42.92 40.29 2hgk s ASP 86 CO 0.43 -1.74 0.09 1.57 0.52 0.00 0.00 175.17 176.04 2hgk n HIS 87 N -3.17 -2.14 0.20 -5.34 -0.00 -1.26 -4.78 115.22 98.72 2hgk n HIS 87 Ca 0.08 0.93 0.12 0.00 0.46 0.00 0.00 57.72 59.30 2hgk n HIS 87 Cb 0.60 -2.91 0.62 0.00 -0.12 0.00 0.00 29.99 28.19 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 1.53 0.00 0.00 1.57 0.11 -1.96 -1.57 132.00 131.68 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 0.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.25 2hgk h PRO 88 CO 0.07 0.00 0.00 1.96 -0.21 0.00 0.00 178.00 179.82 2hgk h GLN 89 N 0.00 0.00 0.00 1.05 1.08 -1.99 -1.09 115.11 114.16 2hgk h GLN 89 Ca 0.00 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2hgk h GLN 89 Cb 0.25 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.68 2hgk h GLN 89 CO 0.00 0.00 -0.02 0.07 -0.95 0.00 0.00 178.83 177.93 2hgk h ARG 90 N 0.00 0.00 -0.32 1.46 0.11 -1.59 -2.29 114.38 111.76 2hgk h ARG 90 Ca 0.00 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.06 2hgk h ARG 90 Cb 0.06 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.13 2hgk h ARG 90 CO 0.00 0.02 0.09 0.00 0.10 0.00 0.00 179.97 180.18 2hgk h ALA 91 N 1.98 1.56 -0.58 0.08 0.00 -1.45 -0.89 119.26 119.97 2hgk h ALA 91 Ca -0.00 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 2hgk h ALA 91 Cb 0.09 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2hgk h ALA 91 CO 0.00 0.34 0.15 -0.07 0.00 0.00 0.00 179.25 179.66 2hgk h LEU 92 N 0.46 0.87 -0.26 0.00 4.07 -1.62 0.36 115.31 119.19 2hgk h LEU 92 Ca 0.11 -0.23 -0.05 0.00 0.08 0.00 0.00 57.88 57.79 2hgk h LEU 92 Cb 0.16 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.66 2hgk h LEU 92 CO -0.01 0.87 -0.04 0.40 -1.08 0.00 0.00 178.44 178.59 2hgk h ILE 93 N 0.83 1.27 -0.59 1.22 2.04 -1.50 -2.34 117.51 118.44 2hgk h ILE 93 Ca 0.18 -1.02 -0.02 0.00 1.00 0.00 0.00 64.86 65.00 2hgk h ILE 93 Cb 0.34 1.41 -0.03 0.00 -0.74 0.00 0.00 36.82 37.80 2hgk h ILE 93 CO 0.00 0.32 0.27 -0.07 0.00 0.00 0.00 178.15 178.67 2hgk h LEU 94 N 0.25 0.78 -1.16 1.44 3.38 -1.04 -1.27 115.31 117.70 2hgk h LEU 94 Ca 0.07 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2hgk h LEU 94 Cb 0.49 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 2hgk h LEU 94 CO 0.02 0.71 0.52 0.00 0.09 0.00 0.00 178.44 179.78 2hgk h ALA 95 N 1.11 1.38 -0.55 1.53 0.00 -0.87 0.17 119.26 122.03 2hgk h ALA 95 Ca 0.20 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 2hgk h ALA 95 Cb 0.14 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2hgk h ALA 95 CO -0.02 0.56 0.06 1.49 0.00 0.00 0.00 179.25 181.34 2hgk h GLU 96 N 1.12 0.93 -0.34 0.00 4.57 -0.95 -1.95 114.58 117.96 2hgk h GLU 96 Ca 0.30 -0.26 -0.09 0.00 -1.18 0.00 0.00 59.36 58.13 2hgk h GLU 96 Cb -0.10 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.38 2hgk h GLU 96 CO -0.06 0.91 -0.16 -0.07 -1.18 0.00 0.00 179.01 178.45 2hgk h LEU 97 N 0.81 0.60 -0.92 1.64 3.38 -0.32 -1.95 115.31 118.56 2hgk h LEU 97 Ca 0.16 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 2hgk h LEU 97 Cb 0.45 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 2hgk h LEU 97 CO 0.02 0.77 -0.06 -0.33 0.09 0.00 0.00 178.44 178.93 2hgk h GLU 98 N 0.55 0.73 -0.40 1.13 5.08 -0.43 -0.04 114.58 121.19 2hgk h GLU 98 Ca 0.09 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 2hgk h GLU 98 Cb 0.59 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 2hgk h GLU 98 CO 0.04 0.78 0.19 0.87 -1.00 0.00 0.00 179.01 179.89 2hgk h LYS 99 N 0.68 0.59 -0.66 2.33 1.57 -0.97 -1.78 116.57 118.32 2hgk h LYS 99 Ca 0.13 -0.09 0.03 0.00 -1.87 0.00 0.00 60.65 58.84 2hgk h LYS 99 Cb 0.50 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.67 2hgk h LYS 99 CO 0.03 0.53 0.41 1.25 -0.57 0.00 0.00 179.45 181.09 2hgk h LEU 100 N 0.51 0.67 -0.46 2.94 5.85 -0.94 -1.86 115.31 122.03 2hgk h LEU 100 Ca 0.14 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.92 2hgk h LEU 100 Cb 0.14 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 40.97 2hgk h LEU 100 CO -0.02 0.46 0.16 -0.78 -0.34 0.00 0.00 178.44 177.92 2hgk h ASP 101 N 0.80 0.15 -0.27 1.25 3.58 -0.72 -1.82 116.42 119.40 2hgk h ASP 101 Ca 0.27 0.06 -0.03 0.00 0.42 0.00 0.00 57.03 57.74 2hgk h ASP 101 Cb 0.03 0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.10 2hgk h ASP 101 CO -0.11 0.12 0.08 0.00 -2.88 0.00 0.00 179.24 176.45 2hgk h ALA 102 N 1.31 1.49 -0.36 -0.78 0.00 -0.73 -2.47 119.26 117.73 2hgk h ALA 102 Ca 0.22 -0.14 -0.16 0.00 0.00 0.00 0.00 54.91 54.83 2hgk h ALA 102 Cb 0.23 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2hgk h ALA 102 CO -0.23 0.38 -0.41 -0.07 0.00 0.00 0.00 179.25 178.92 2hgk h LEU 103 N 0.50 0.94 -1.23 0.00 3.38 -0.60 -2.62 115.31 115.67 2hgk h LEU 103 Ca 0.12 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.65 2hgk h LEU 103 Cb 0.20 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.69 2hgk h LEU 103 CO -0.00 1.22 0.00 -0.26 0.09 0.00 0.00 178.44 179.49 2hgk h PHE 104 N 0.71 0.00 -0.01 1.13 0.04 -0.95 -2.48 116.94 115.38 2hgk h PHE 104 Ca 0.05 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.82 2hgk h PHE 104 Cb 0.99 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.14 2hgk h PHE 104 CO 0.06 0.00 -0.40 0.00 -0.60 0.00 0.00 178.31 177.37 2hgk n ALA 105 N -2.01 3.38 0.02 2.45 0.00 -0.97 -3.82 120.51 119.56 2hgk n ALA 105 Ca 0.01 -0.42 -0.22 0.00 0.00 0.00 0.00 53.44 52.81 2hgk n ALA 105 Cb 0.29 -1.07 -0.14 0.00 0.00 0.00 0.00 19.45 18.53 2hgk n ALA 105 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2hgk h ASP 106 N 0.89 0.44 -3.53 0.00 3.58 -1.19 -3.45 116.42 113.17 2hgk h ASP 106 Ca 0.00 -0.91 -0.62 0.00 0.42 0.00 0.00 57.03 55.93 2hgk h ASP 106 Cb 0.53 -0.14 -0.12 0.00 1.72 0.00 0.00 39.33 41.32 2hgk h ASP 106 CO 0.00 1.78 0.29 -0.62 -2.88 0.00 0.00 179.24 177.81 2hgk s ASP 107 N -7.10 6.53 0.29 2.28 2.15 -1.23 -4.98 116.67 114.61 2hgk s ASP 107 Ca -0.21 0.34 -0.19 0.00 0.43 0.00 0.00 52.55 52.92 2hgk s ASP 107 Cb 0.06 -2.37 0.06 0.00 -0.30 0.00 0.00 42.92 40.37 2hgk s ASP 107 CO 0.78 -0.65 0.90 0.00 -0.17 0.00 0.00 175.17 176.03 2hgk s ALA 108 N 2.92 -1.16 0.63 3.66 0.00 -1.26 -4.59 121.76 121.96 2hgk s ALA 108 Ca 0.29 -0.53 0.06 0.00 0.00 0.00 0.00 51.96 51.77 2hgk s ALA 108 Cb -0.14 0.72 0.10 0.00 0.00 0.00 0.00 23.12 23.80 2hgk s ALA 108 CO 0.15 -1.02 0.87 0.45 0.00 0.00 0.00 175.76 176.21 2hgk s SER 109 N -3.21 4.80 0.00 0.00 0.15 -1.26 -4.99 113.70 109.19 2hgk s SER 109 Ca 0.18 -0.67 0.28 0.00 0.70 0.00 0.00 55.95 56.45 2hgk s SER 109 Cb -0.04 0.19 1.12 0.00 -1.71 0.00 0.00 66.02 65.58 2hgk s SER 109 CO 0.08 -1.55 1.84 0.18 1.20 0.00 0.00 173.24 175.00 2hgk n LEU 110 N -2.47 0.10 -4.97 3.45 4.77 -1.26 -4.84 117.00 111.78 2hgk n LEU 110 Ca 0.15 0.40 -0.21 0.00 -0.03 0.00 0.00 56.01 56.32 2hgk n LEU 110 Cb 0.61 -0.44 0.01 0.00 -2.33 0.00 0.00 43.42 41.27 2hgk n LEU 110 CO 0.41 0.02 0.22 -1.61 -1.33 0.00 0.00 177.39 175.10 2hgk s GLU 111 N -2.97 3.02 0.00 3.23 2.02 -1.26 -5.01 118.70 117.73 2hgk s GLU 111 Ca 0.14 -0.70 0.28 0.00 0.02 0.00 0.00 54.97 54.71 2hgk s GLU 111 Cb 0.19 -2.64 1.09 0.00 0.10 0.00 0.00 34.13 32.87 2hgk s GLU 111 CO 0.56 -0.21 1.77 0.72 0.02 0.00 0.00 175.26 178.11 2hgk n HIS 112 N -1.96 0.00 -4.77 1.61 8.25 -1.26 -4.77 115.22 112.31 2hgk n HIS 112 Ca 0.02 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.24 2hgk n HIS 112 Cb 0.58 -0.02 -0.15 0.00 1.12 0.00 0.00 29.99 31.52 2hgk n HIS 112 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2hgk s HIS 113 N -2.06 1.51 0.16 4.41 3.76 -1.26 -5.04 115.29 116.77 2hgk s HIS 113 Ca 0.37 -0.29 -0.07 0.00 -0.15 0.00 0.00 55.06 54.92 2hgk s HIS 113 Cb 0.21 -0.96 0.02 0.00 1.11 0.00 0.00 32.58 32.96 2hgk s HIS 113 CO 0.36 -0.02 1.47 0.45 -0.85 0.00 0.00 174.74 176.15 2hgk h HIS 114 N 5.65 0.91 -2.88 1.40 -0.00 -1.95 -3.44 115.15 114.84 2hgk h HIS 114 Ca -0.37 -0.32 -0.18 0.00 -0.00 0.00 0.00 60.37 59.51 2hgk h HIS 114 Cb 1.15 -0.18 -0.29 0.00 -0.00 0.00 0.00 27.41 28.09 2hgk h HIS 114 CO 0.41 1.10 -0.44 -1.58 -0.00 0.00 0.00 177.93 177.41 2hgk s HIS 115 N -4.11 -0.44 0.45 2.45 2.46 -1.26 -4.95 115.29 109.91 2hgk s HIS 115 Ca -0.09 0.98 -0.05 0.00 0.47 0.00 0.00 55.06 56.36 2hgk s HIS 115 Cb 0.11 0.10 0.10 0.00 -0.13 0.00 0.00 32.58 32.75 2hgk s HIS 115 CO 0.87 -0.29 0.62 0.72 -2.47 0.00 0.00 174.74 174.18 2hgk n HIS 116 N 4.51 -3.67 -0.28 3.88 8.25 -1.26 -5.21 115.22 121.44 2hgk n HIS 116 Ca -0.20 -0.72 0.00 0.00 -0.26 0.00 0.00 57.72 56.53 2hgk n HIS 116 Cb 0.53 -0.47 0.00 0.00 1.12 0.00 0.00 29.99 31.17 2hgk n HIS 116 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70