#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgk n THR 2 N 0.00 -0.95 -0.17 2.03 -2.24 -1.26 -4.82 114.28 106.88 2hgk n THR 2 Ca 0.00 -0.34 -0.05 0.00 -2.27 0.00 0.00 64.05 61.39 2hgk n THR 2 Cb 0.00 -1.08 0.13 0.00 -2.10 0.00 0.00 70.33 67.28 2hgk n THR 2 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2hgk h THR 3 N -1.54 1.24 -0.50 4.28 2.02 -2.01 0.59 112.91 117.00 2hgk h THR 3 Ca -0.64 -0.94 -0.08 0.00 0.77 0.00 0.00 66.41 65.52 2hgk h THR 3 Cb 1.39 0.70 -0.02 0.00 -1.74 0.00 0.00 68.15 68.48 2hgk h THR 3 CO 0.76 0.35 -0.02 0.45 0.37 0.00 0.00 175.52 177.42 2hgk h HIS 4 N 0.88 0.92 -0.07 3.16 -0.00 -1.94 -2.01 115.15 116.08 2hgk h HIS 4 Ca 0.18 -0.14 -0.23 0.00 -0.00 0.00 0.00 60.37 60.18 2hgk h HIS 4 Cb 0.38 -0.24 0.01 0.00 -0.00 0.00 0.00 27.41 27.56 2hgk h HIS 4 CO 0.02 0.85 -0.86 0.22 -0.00 0.00 0.00 177.93 178.16 2hgk h ASP 5 N 0.79 0.75 -0.45 2.45 3.58 -1.77 -1.25 116.42 120.51 2hgk h ASP 5 Ca 0.15 -0.54 0.03 0.00 0.42 0.00 0.00 57.03 57.09 2hgk h ASP 5 Cb 0.51 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 41.30 2hgk h ASP 5 CO 0.03 1.33 0.25 0.03 -2.88 0.00 0.00 179.24 177.99 2hgk h ARG 6 N 0.39 0.48 -0.73 0.28 3.08 -0.74 0.78 114.38 117.92 2hgk h ARG 6 Ca -0.07 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.92 2hgk h ARG 6 Cb 1.49 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 31.40 2hgk h ARG 6 CO 0.16 0.32 0.34 0.28 -1.07 0.00 0.00 179.97 180.00 2hgk h VAL 7 N 0.49 1.24 -0.59 2.04 2.07 -1.30 -2.56 116.25 117.64 2hgk h VAL 7 Ca 0.19 -0.69 0.01 0.00 0.82 0.00 0.00 66.70 67.03 2hgk h VAL 7 Cb 0.06 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.15 2hgk h VAL 7 CO -0.11 0.29 0.38 -0.09 0.02 0.00 0.00 177.57 178.06 2hgk h ARG 8 N 1.02 0.75 -0.44 1.57 2.43 -0.44 -0.32 114.38 118.96 2hgk h ARG 8 Ca 0.25 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.33 2hgk h ARG 8 Cb 0.14 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 2hgk h ARG 8 CO -0.03 0.50 0.10 -0.07 -1.51 0.00 0.00 179.97 178.95 2hgk h LEU 9 N 0.77 0.60 -0.52 3.80 3.38 -0.65 -0.50 115.31 122.19 2hgk h LEU 9 Ca 0.22 -0.10 -0.15 0.00 0.09 0.00 0.00 57.88 57.95 2hgk h LEU 9 Cb -0.05 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 2hgk h LEU 9 CO -0.07 0.61 -0.71 1.56 0.09 0.00 0.00 178.44 179.93 2hgk h GLN 10 N 0.64 0.00 -0.52 1.13 7.50 -1.01 -0.09 115.11 122.76 2hgk h GLN 10 Ca 0.14 0.00 -0.05 0.00 0.50 0.00 0.00 58.65 59.25 2hgk h GLN 10 Cb 0.26 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.76 2hgk h GLN 10 CO -0.00 0.71 0.14 -0.07 -1.50 0.00 0.00 178.83 178.10 2hgk h LEU 11 N 0.00 0.78 -1.30 1.46 3.38 -0.32 -0.61 115.31 118.70 2hgk h LEU 11 Ca -0.01 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.67 2hgk h LEU 11 Cb 1.29 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 2hgk h LEU 11 CO 0.09 0.80 -0.26 1.56 0.09 0.00 0.00 178.44 180.72 2hgk h GLN 12 N 0.72 0.14 -0.16 1.13 4.20 -0.87 0.78 115.11 121.05 2hgk h GLN 12 Ca 0.16 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.81 2hgk h GLN 12 Cb 0.31 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 2hgk h GLN 12 CO -0.00 0.40 0.02 0.00 -0.67 0.00 0.00 178.83 178.58 2hgk h ALA 13 N 1.61 0.21 -0.56 3.87 0.00 -0.59 0.26 119.26 124.05 2hgk h ALA 13 Ca 0.02 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.78 2hgk h ALA 13 Cb 0.53 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 2hgk h ALA 13 CO 0.04 -0.13 0.35 -0.07 0.00 0.00 0.00 179.25 179.44 2hgk h LEU 14 N 0.04 0.59 0.12 0.00 3.38 -0.79 0.22 115.31 118.88 2hgk h LEU 14 Ca 0.05 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.02 2hgk h LEU 14 Cb 0.30 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 2hgk h LEU 14 CO 0.00 0.42 -0.17 -0.08 0.09 0.00 0.00 178.44 178.70 2hgk h GLU 15 N 0.70 -0.33 -0.63 1.13 4.81 -0.67 -1.89 114.58 117.70 2hgk h GLU 15 Ca 0.22 0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.43 2hgk h GLU 15 Cb -0.02 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.41 2hgk h GLU 15 CO -0.08 -0.22 0.22 0.00 -0.73 0.00 0.00 179.01 178.20 2hgk h ALA 16 N 0.49 0.82 -0.21 2.92 0.00 -0.24 0.13 119.26 123.17 2hgk h ALA 16 Ca 0.02 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.77 2hgk h ALA 16 Cb 0.34 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 2hgk h ALA 16 CO -0.07 0.47 -0.06 1.25 0.00 0.00 0.00 179.25 180.84 2hgk h LEU 17 N 0.90 -0.22 -0.74 0.00 6.46 -0.40 0.13 115.31 121.43 2hgk h LEU 17 Ca 0.21 0.07 -0.13 0.00 -0.12 0.00 0.00 57.88 57.90 2hgk h LEU 17 Cb 0.26 0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.32 2hgk h LEU 17 CO -0.01 -0.08 -0.52 -0.07 -0.62 0.00 0.00 178.44 177.14 2hgk h LEU 18 N -0.02 0.31 -0.59 2.25 3.38 -1.16 -2.44 115.31 117.05 2hgk h LEU 18 Ca 0.10 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 2hgk h LEU 18 Cb 0.17 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 2hgk h LEU 18 CO -0.22 0.78 0.30 -0.09 0.09 0.00 0.00 178.44 179.30 2hgk h ARG 19 N 0.22 0.83 0.00 1.13 2.43 0.04 -0.30 114.38 118.73 2hgk h ARG 19 Ca 0.01 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.06 2hgk h ARG 19 Cb 0.99 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 30.39 2hgk h ARG 19 CO 0.08 0.65 -0.05 0.93 -1.51 0.00 0.00 179.97 180.08 2hgk h GLU 20 N 0.79 0.00 -0.64 0.20 4.39 -0.64 -1.70 114.58 116.99 2hgk h GLU 20 Ca 0.20 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.68 2hgk h GLU 20 Cb 0.08 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 28.60 2hgk h GLU 20 CO -0.03 0.05 0.23 0.72 -1.16 0.00 0.00 179.01 178.82 2hgk n HIS 21 N -3.15 2.09 0.00 4.33 8.25 -0.77 -5.02 115.22 120.96 2hgk n HIS 21 Ca 0.01 -1.33 0.00 0.00 -0.26 0.00 0.00 57.72 56.14 2hgk n HIS 21 Cb 0.37 -0.64 0.00 0.00 1.12 0.00 0.00 29.99 30.84 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 -0.55 0.00 0.00 -0.41 6.02 -0.20 -4.82 117.38 117.42 2hgk n GLN 22 Ca 0.40 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.39 2hgk n GLN 22 Cb 1.30 0.00 0.00 0.00 1.02 0.00 0.00 30.24 32.56 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 0.00 0.00 0.00 1.08 8.25 -1.25 -4.17 115.22 119.13 2hgk n HIS 23 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2hgk n HIS 23 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 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 0.00 0.00 -2.75 4.41 -0.00 -1.26 -3.82 117.44 114.02 2hgk n TRP 24 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.50 57.08 2hgk n TRP 24 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 31.31 31.28 2hgk n TRP 24 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 177.69 178.19 2hgk s ARG 25 N 0.00 3.19 0.55 5.87 3.52 -1.26 -4.96 118.95 125.86 2hgk s ARG 25 Ca 0.00 -0.71 -0.22 0.00 -0.13 0.00 0.00 55.73 54.67 2hgk s ARG 25 Cb 0.00 -4.31 -0.05 0.00 -1.56 0.00 0.00 34.95 29.03 2hgk s ARG 25 CO 0.00 -1.94 1.34 0.09 -0.81 0.00 0.00 175.30 173.98 2hgk n ASN 26 N 8.25 2.61 -0.07 -2.12 4.13 -1.25 -4.93 115.26 121.88 2hgk n ASN 26 Ca 0.02 0.97 -0.10 0.00 1.68 0.00 0.00 54.58 57.15 2hgk n ASN 26 Cb 0.47 -1.57 -0.03 0.00 -1.54 0.00 0.00 39.78 37.11 2hgk n ASN 26 CO 0.00 0.00 0.00 -0.78 0.28 0.00 0.00 177.26 176.76 2hgk h ASP 27 N 1.38 0.32 -3.64 6.41 1.82 -1.94 -3.38 116.42 117.39 2hgk h ASP 27 Ca -0.51 -0.12 -0.64 0.00 -0.39 0.00 0.00 57.03 55.37 2hgk h ASP 27 Cb 1.31 -0.08 -0.39 0.00 0.68 0.00 0.00 39.33 40.84 2hgk h ASP 27 CO 0.57 0.35 -0.76 -0.70 -1.61 0.00 0.00 179.24 177.09 2hgk s GLU 28 N -5.74 1.56 -0.53 0.28 2.56 -1.26 -5.07 118.70 110.50 2hgk s GLU 28 Ca -0.13 -1.47 -0.27 0.00 0.00 0.00 0.00 54.97 53.10 2hgk s GLU 28 Cb 0.08 -2.85 -0.03 0.00 2.00 0.00 0.00 34.13 33.34 2hgk s GLU 28 CO 0.71 -0.80 1.93 -2.14 -0.56 0.00 0.00 175.26 174.41 2hgk s PRO 29 N 1.14 2.70 -0.07 4.30 0.02 -1.26 -4.94 135.00 136.89 2hgk s PRO 29 Ca 0.03 0.91 -0.29 0.00 0.02 0.00 0.00 61.00 61.67 2hgk s PRO 29 Cb -0.19 -4.38 -0.06 0.00 0.02 0.00 0.00 34.50 29.89 2hgk s PRO 29 CO -0.09 -2.63 1.79 -0.65 -0.33 0.00 0.00 177.00 175.09 2hgk s GLN 30 N 6.93 3.99 0.52 5.54 -1.52 -1.26 -4.87 119.66 128.99 2hgk s GLN 30 Ca 0.75 2.20 0.17 0.00 -1.95 0.00 0.00 55.36 56.52 2hgk s GLN 30 Cb -0.15 -4.08 1.28 0.00 -0.22 0.00 0.00 33.01 29.83 2hgk s GLN 30 CO 0.24 -1.09 2.14 -1.00 -0.25 0.00 0.00 175.29 175.33 2hgk h PRO 31 N 10.61 0.00 0.00 2.91 0.13 -2.03 -1.64 132.00 141.99 2hgk h PRO 31 Ca -0.41 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2hgk h PRO 31 Cb 1.20 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2hgk h PRO 31 CO 0.96 0.00 0.00 1.25 -0.23 0.00 0.00 178.00 179.98 2hgk h HIS 32 N 0.00 0.00 -0.30 1.56 2.76 -1.98 -2.90 115.15 114.29 2hgk h HIS 32 Ca 0.02 0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.20 2hgk h HIS 32 Cb 0.09 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.03 2hgk h HIS 32 CO -0.00 0.00 0.18 1.96 -1.30 0.00 0.00 177.93 178.77 2hgk h GLN 33 N 0.00 0.36 0.00 5.26 4.20 -1.67 -0.53 115.11 122.72 2hgk h GLN 33 Ca 0.00 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.69 2hgk h GLN 33 Cb 0.47 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.17 2hgk h GLN 33 CO 0.00 0.24 -0.14 1.19 -0.67 0.00 0.00 178.83 179.45 2hgk n PHE 34 N -4.91 0.53 0.09 2.96 3.72 -1.11 -3.25 117.46 115.50 2hgk n PHE 34 Ca -0.01 0.16 -0.00 0.00 -0.05 0.00 0.00 57.45 57.54 2hgk n PHE 34 Cb 0.04 -0.72 -0.03 0.00 -0.94 0.00 0.00 39.48 37.83 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 -0.68 4.37 2.35 -1.21 -3.32 115.58 117.09 2hgk h ASN 35 Ca 0.00 0.00 -0.68 0.00 -0.55 0.00 0.00 56.30 55.07 2hgk h ASN 35 Cb 0.65 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.95 2hgk h ASN 35 CO 0.00 0.63 2.36 -1.20 -1.65 0.00 0.00 177.43 177.58 2hgk n SER 36 N -3.17 4.68 -3.68 5.81 7.64 -0.28 -4.88 113.62 119.74 2hgk n SER 36 Ca -0.02 -2.90 -0.42 0.00 1.01 0.00 0.00 58.87 56.55 2hgk n SER 36 Cb 0.81 -1.73 -0.00 0.00 -1.01 0.00 0.00 64.21 62.28 2hgk n SER 36 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2hgk n THR 37 N 6.18 3.63 -3.65 0.44 -1.04 -1.25 -4.31 114.28 114.28 2hgk n THR 37 Ca 0.49 -3.05 -0.20 0.00 -2.04 0.00 0.00 64.05 59.26 2hgk n THR 37 Cb 0.45 -2.59 -0.01 0.00 -1.82 0.00 0.00 70.33 66.35 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 2.87 3.25 0.54 -2.82 -0.21 -1.26 -4.98 119.66 117.05 2hgk s GLN 38 Ca 0.50 -0.89 0.25 0.00 0.02 0.00 0.00 55.36 55.23 2hgk s GLN 38 Cb 0.14 -2.84 1.42 0.00 1.00 0.00 0.00 33.01 32.73 2hgk s GLN 38 CO -0.08 0.20 2.02 -1.35 -2.12 0.00 0.00 175.29 173.96 2hgk h PRO 39 N 0.99 0.00 0.00 2.91 0.11 -2.02 -2.33 132.00 131.65 2hgk h PRO 39 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2hgk h PRO 39 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2hgk h PRO 39 CO 0.56 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.54 2hgk n PHE 40 N -4.29 0.00 -3.38 0.65 3.01 -1.26 -5.00 117.46 107.19 2hgk n PHE 40 Ca 0.07 -0.09 -0.24 0.00 1.01 0.00 0.00 57.45 58.19 2hgk n PHE 40 Cb 0.52 -0.01 0.04 0.00 -0.01 0.00 0.00 39.48 40.02 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 -0.09 -2.24 0.37 1.38 3.72 -0.88 -4.68 117.46 115.04 2hgk n PHE 41 Ca 0.00 0.71 0.14 0.00 -0.05 0.00 0.00 57.45 58.25 2hgk n PHE 41 Cb 0.05 -4.31 0.50 0.00 -0.94 0.00 0.00 39.48 34.78 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 -1.79 0.00 -0.00 -1.08 2.86 -1.83 -2.78 114.93 110.31 2hgk h MET 42 Ca -0.53 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.11 2hgk h MET 42 Cb 1.36 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.02 2hgk h MET 42 CO 0.58 0.00 -0.06 -3.47 1.06 0.00 0.00 176.91 175.02 2hgk n ASP 43 N -2.64 0.08 -0.07 1.22 2.03 -1.26 -3.52 116.55 112.38 2hgk n ASP 43 Ca 0.02 0.31 -0.21 0.00 0.52 0.00 0.00 54.79 55.43 2hgk n ASP 43 Cb 0.33 -0.37 -0.13 0.00 -0.72 0.00 0.00 41.12 40.23 2hgk n ASP 43 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2hgk n THR 44 N -1.46 1.62 -3.73 5.18 -1.04 -1.05 -5.05 114.28 108.74 2hgk n THR 44 Ca 0.08 -0.55 -0.05 0.00 -2.04 0.00 0.00 64.05 61.49 2hgk n THR 44 Cb 0.33 -1.63 0.02 0.00 -1.82 0.00 0.00 70.33 67.22 2hgk n THR 44 CO 0.00 0.00 0.00 0.80 -0.64 0.00 0.00 175.07 175.23 2hgk n MET 45 N -3.52 0.72 -2.13 -2.82 1.56 -1.23 -5.07 117.12 104.63 2hgk n MET 45 Ca -0.40 -1.51 -0.39 0.00 -0.27 0.00 0.00 57.70 55.13 2hgk n MET 45 Cb 0.98 1.95 -0.01 0.00 2.15 0.00 0.00 33.22 38.29 2hgk n MET 45 CO 0.00 0.00 0.00 -1.83 -0.73 0.00 0.00 175.97 173.41 2hgk s GLU 46 N -2.06 3.97 -1.07 2.12 1.03 -1.26 -4.38 118.70 117.05 2hgk s GLU 46 Ca 0.16 2.05 -0.24 0.00 0.03 0.00 0.00 54.97 56.96 2hgk s GLU 46 Cb -0.03 -2.71 -0.12 0.00 -0.80 0.00 0.00 34.13 30.47 2hgk s GLU 46 CO 0.07 -0.45 2.02 -2.14 -1.33 0.00 0.00 175.26 173.43 2hgk s PRO 47 N -2.28 2.11 0.00 -4.83 0.02 -1.26 -4.09 135.00 124.67 2hgk s PRO 47 Ca 0.57 -0.68 0.00 0.00 0.02 0.00 0.00 61.00 60.92 2hgk s PRO 47 Cb -0.36 -5.11 0.00 0.00 0.02 0.00 0.00 34.50 29.06 2hgk s PRO 47 CO 0.45 -4.28 0.00 -0.11 -0.33 0.00 0.00 177.00 172.73 2hgk n LEU 48 N 15.97 0.00 0.28 -5.54 7.94 -1.26 -4.79 117.00 129.60 2hgk n LEU 48 Ca 0.43 0.00 0.14 0.00 -1.11 0.00 0.00 56.01 55.47 2hgk n LEU 48 Cb 0.46 0.00 0.84 0.00 0.53 0.00 0.00 43.42 45.26 2hgk n LEU 48 CO 0.63 -0.47 1.08 -0.33 -1.11 0.00 0.00 177.39 177.19 2hgk h GLU 49 N 0.00 0.00 -0.38 1.96 4.39 -1.94 -1.86 114.58 116.74 2hgk h GLU 49 Ca 0.00 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.73 2hgk h GLU 49 Cb 0.06 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 2hgk h GLU 49 CO 0.00 0.04 0.26 2.35 -1.16 0.00 0.00 179.01 180.50 2hgk h TRP 50 N 0.00 0.38 -0.64 4.33 7.01 -1.85 -0.58 115.95 124.60 2hgk h TRP 50 Ca -0.00 0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.06 2hgk h TRP 50 Cb 0.10 -0.13 -0.04 0.00 -2.10 0.00 0.00 29.16 26.99 2hgk h TRP 50 CO 0.00 0.22 0.42 1.25 -2.79 0.00 0.00 178.44 177.55 2hgk h LEU 51 N 0.40 0.59 -9.99 0.65 5.85 -1.68 -2.86 115.31 108.26 2hgk h LEU 51 Ca 0.16 -0.00 -0.53 0.00 0.84 0.00 0.00 57.88 58.35 2hgk h LEU 51 Cb 0.13 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 2hgk h LEU 51 CO -0.04 0.40 -0.07 -1.10 -0.34 0.00 0.00 178.44 177.29 2hgk s GLN 52 N -5.61 3.83 0.00 1.25 -0.21 -0.23 -3.37 119.66 115.33 2hgk s GLN 52 Ca -0.09 0.35 0.00 0.00 0.02 0.00 0.00 55.36 55.63 2hgk s GLN 52 Cb 0.19 -2.60 0.00 0.00 1.00 0.00 0.00 33.01 31.60 2hgk s GLN 52 CO 0.76 0.27 0.00 0.91 -2.12 0.00 0.00 175.29 175.11 2hgk n TRP 53 N -0.23 0.00 0.00 0.91 7.02 -1.26 -4.36 117.44 119.52 2hgk n TRP 53 Ca 0.01 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.49 2hgk n TRP 53 Cb 0.53 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.42 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 0.00 0.00 0.16 -0.99 0.31 -1.25 -4.50 118.33 112.06 2hgk n VAL 54 Ca 0.00 0.41 -0.14 0.00 -0.01 0.00 0.00 64.34 64.60 2hgk n VAL 54 Cb 0.00 -1.39 -0.07 0.00 -0.91 0.00 0.00 33.84 31.48 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 -0.87 0.41 7.52 5.85 -1.55 0.19 115.31 126.86 2hgk h LEU 55 Ca 0.00 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 2hgk h LEU 55 Cb 0.00 0.31 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 2hgk h LEU 55 CO 0.00 -0.42 -0.48 0.40 -0.34 0.00 0.00 178.44 177.60 2hgk h ILE 56 N -0.59 0.06 -0.68 4.05 5.03 -1.86 0.56 117.51 124.08 2hgk h ILE 56 Ca 0.01 0.00 -0.02 0.00 -0.12 0.00 0.00 64.86 64.73 2hgk h ILE 56 Cb 0.58 0.06 -0.03 0.00 -3.03 0.00 0.00 36.82 34.39 2hgk h ILE 56 CO -0.12 0.00 0.35 -0.65 -0.68 0.00 0.00 178.15 177.05 2hgk h PRO 57 N -0.92 0.95 -0.13 2.37 0.11 -1.76 -1.39 132.00 131.23 2hgk h PRO 57 Ca -0.04 -0.11 -0.09 0.00 0.11 0.00 0.00 66.00 65.86 2hgk h PRO 57 Cb 0.82 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.73 2hgk h PRO 57 CO -0.11 0.71 -0.34 -0.09 -0.21 0.00 0.00 178.00 177.97 2hgk h ARG 58 N 0.95 0.26 0.00 1.05 2.43 -0.33 -1.56 114.38 117.19 2hgk h ARG 58 Ca 0.24 -0.11 -0.11 0.00 -0.81 0.00 0.00 59.98 59.20 2hgk h ARG 58 Cb 0.06 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 2hgk h ARG 58 CO -0.04 0.57 -0.51 0.52 -1.51 0.00 0.00 179.97 179.01 2hgk h MET 59 N 0.23 0.00 -0.96 0.20 2.86 -0.54 -3.06 114.93 113.66 2hgk h MET 59 Ca 0.03 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.68 2hgk h MET 59 Cb 0.71 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.32 2hgk h MET 59 CO 0.05 0.51 0.63 0.45 1.06 0.00 0.00 176.91 179.61 2hgk h HIS 60 N 0.00 1.21 -0.50 -0.22 3.86 -0.28 -1.01 115.15 118.21 2hgk h HIS 60 Ca -0.01 0.02 0.06 0.00 -1.16 0.00 0.00 60.37 59.29 2hgk h HIS 60 Cb 1.31 -0.41 -0.05 0.00 1.06 0.00 0.00 27.41 29.32 2hgk h HIS 60 CO 0.00 0.77 0.21 -0.44 0.86 0.00 0.00 177.93 179.33 2hgk h ASP 61 N 1.30 0.25 -0.23 2.45 3.32 -1.31 0.68 116.42 122.87 2hgk h ASP 61 Ca 0.35 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.43 2hgk h ASP 61 Cb -0.14 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 2hgk h ASP 61 CO -0.07 0.17 0.09 0.25 -1.72 0.00 0.00 179.24 177.96 2hgk h LEU 62 N 0.40 0.37 0.06 1.55 5.85 -1.34 -0.97 115.31 121.22 2hgk h LEU 62 Ca 0.23 -0.04 -0.19 0.00 0.84 0.00 0.00 57.88 58.73 2hgk h LEU 62 Cb 0.21 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 2hgk h LEU 62 CO -0.21 0.36 -0.98 -0.07 -0.34 0.00 0.00 178.44 177.20 2hgk h LEU 63 N 0.41 0.18 -0.99 2.25 3.38 -0.16 -1.97 115.31 118.40 2hgk h LEU 63 Ca 0.10 -0.80 -0.10 0.00 0.09 0.00 0.00 57.88 57.18 2hgk h LEU 63 Cb 0.13 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2hgk h LEU 63 CO -0.01 1.41 -0.46 0.44 0.09 0.00 0.00 178.44 179.92 2hgk h ASP 64 N -0.68 0.00 0.28 -0.43 3.32 0.35 -1.02 116.42 118.24 2hgk h ASP 64 Ca -0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.82 2hgk h ASP 64 Cb 1.43 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.98 2hgk h ASP 64 CO -0.03 0.46 -0.04 0.59 -1.72 0.00 0.00 179.24 178.50 2hgk n ASN 65 N -3.78 0.27 -3.25 6.45 3.02 -0.38 -4.95 115.26 112.65 2hgk n ASN 65 Ca -0.01 -0.66 -0.11 0.00 -0.03 0.00 0.00 54.58 53.78 2hgk n ASN 65 Cb 0.51 -0.10 0.03 0.00 -0.61 0.00 0.00 39.78 39.61 2hgk n ASN 65 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2hgk n LYS 66 N -0.97 -1.64 -4.28 3.52 5.02 -0.39 -5.03 118.16 114.39 2hgk n LYS 66 Ca 0.18 1.11 -0.23 0.00 -2.02 0.00 0.00 58.31 57.35 2hgk n LYS 66 Cb 0.22 -5.35 -0.07 0.00 -0.02 0.00 0.00 35.03 29.81 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 -3.96 2.31 0.34 1.97 -0.21 -0.74 -5.05 119.66 114.32 2hgk s GLN 67 Ca 0.21 -1.43 -0.28 0.00 0.02 0.00 0.00 55.36 53.88 2hgk s GLN 67 Cb -0.04 -2.16 -0.10 0.00 1.00 0.00 0.00 33.01 31.71 2hgk s GLN 67 CO 0.77 0.34 1.25 -1.25 -2.12 0.00 0.00 175.29 174.27 2hgk s PRO 68 N -3.69 4.32 0.23 2.91 0.04 -1.26 -4.85 135.00 132.70 2hgk s PRO 68 Ca 0.32 2.08 -0.25 0.00 0.04 0.00 0.00 61.00 63.18 2hgk s PRO 68 Cb -0.06 -3.00 -0.09 0.00 0.04 0.00 0.00 34.50 31.40 2hgk s PRO 68 CO 0.20 -0.17 0.84 -0.51 0.04 0.00 0.00 177.00 177.40 2hgk s LEU 69 N -1.91 4.49 -0.49 -3.56 1.43 -1.26 -4.97 118.68 112.41 2hgk s LEU 69 Ca 0.50 1.71 -0.27 0.00 -1.03 0.00 0.00 54.13 55.04 2hgk s LEU 69 Cb -0.37 -3.60 -0.05 0.00 0.03 0.00 0.00 46.19 42.21 2hgk s LEU 69 CO 0.48 0.10 2.16 -2.16 0.23 0.00 0.00 176.35 177.15 2hgk s PRO 70 N -1.55 2.47 0.21 1.29 0.04 -1.26 -4.82 135.00 131.38 2hgk s PRO 70 Ca 0.42 1.20 0.17 0.00 0.04 0.00 0.00 61.00 62.83 2hgk s PRO 70 Cb -0.21 -4.47 0.84 0.00 0.04 0.00 0.00 34.50 30.70 2hgk s PRO 70 CO 0.26 -2.87 1.53 0.41 0.04 0.00 0.00 177.00 176.36 2hgk n GLY 71 N 5.83 -0.92 0.84 0.56 0.00 -1.25 -1.32 105.19 108.93 2hgk n GLY 71 Ca 0.29 0.10 0.03 0.00 0.00 0.00 0.00 46.02 46.45 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 -1.70 3.49 -2.65 4.61 0.00 -1.26 -4.35 120.51 118.65 2hgk n ALA 72 Ca 0.00 -2.81 -0.43 0.00 0.00 0.00 0.00 53.44 50.20 2hgk n ALA 72 Cb 0.10 -0.63 -0.02 0.00 0.00 0.00 0.00 19.45 18.89 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 -3.05 3.29 -0.21 0.00 5.36 -0.43 -5.00 117.98 117.94 2hgk s PHE 73 Ca 0.41 1.34 -0.04 0.00 -0.96 0.00 0.00 56.93 57.68 2hgk s PHE 73 Cb 0.36 -3.31 0.10 0.00 -0.34 0.00 0.00 43.02 39.83 2hgk s PHE 73 CO 0.02 -0.53 0.29 0.00 -1.46 0.00 0.00 175.22 173.55 2hgk s ALA 74 N 3.22 -0.63 -0.07 11.12 0.00 -1.26 -4.72 121.76 129.42 2hgk s ALA 74 Ca 0.42 0.62 0.03 0.00 0.00 0.00 0.00 51.96 53.03 2hgk s ALA 74 Cb -0.14 -1.41 -0.04 0.00 0.00 0.00 0.00 23.12 21.53 2hgk s ALA 74 CO 0.08 -1.14 0.10 1.33 0.00 0.00 0.00 175.76 176.13 2hgk n VAL 75 N 5.34 0.00 -0.04 0.00 0.24 -1.26 -4.73 118.33 117.88 2hgk n VAL 75 Ca -0.05 -0.24 -0.11 0.00 -2.04 0.00 0.00 64.34 61.90 2hgk n VAL 75 Cb 0.50 0.71 -0.05 0.00 -1.47 0.00 0.00 33.84 33.53 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 0.36 0.22 -0.86 2.33 0.00 -1.94 0.89 119.26 120.26 2hgk h ALA 76 Ca 0.00 -0.09 0.16 0.00 0.00 0.00 0.00 54.91 54.98 2hgk h ALA 76 Cb 0.11 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 2hgk h ALA 76 CO 0.00 -0.21 0.56 -1.35 0.00 0.00 0.00 179.25 178.25 2hgk h PRO 77 N 0.14 0.53 0.05 0.00 0.11 -1.99 -0.98 132.00 129.85 2hgk h PRO 77 Ca 0.06 -0.03 -0.27 0.00 0.11 0.00 0.00 66.00 65.87 2hgk h PRO 77 Cb 0.13 -0.12 0.02 0.00 0.11 0.00 0.00 31.00 31.15 2hgk h PRO 77 CO -0.01 0.35 -1.07 -0.92 -0.21 0.00 0.00 178.00 176.15 2hgk h TYR 78 N 0.55 0.98 0.00 0.65 3.20 -1.74 -3.24 116.97 117.37 2hgk h TYR 78 Ca 0.43 -0.57 -0.02 0.00 3.14 0.00 0.00 58.73 61.71 2hgk h TYR 78 Cb 0.87 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 39.04 2hgk h TYR 78 CO -0.00 1.41 -0.10 1.88 -1.64 0.00 0.00 178.16 179.70 2hgk h TYR 79 N 0.28 0.00 -0.78 -3.82 -1.99 0.10 -0.16 116.97 110.60 2hgk h TYR 79 Ca -0.15 0.00 0.09 0.00 2.00 0.00 0.00 58.73 60.67 2hgk h TYR 79 Cb 1.74 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 40.41 2hgk h TYR 79 CO 0.12 0.10 0.51 1.49 -0.00 0.00 0.00 178.16 180.38 2hgk h GLU 80 N 0.00 0.72 0.12 4.88 4.22 -1.24 0.98 114.58 124.27 2hgk h GLU 80 Ca -0.00 -0.04 -0.33 0.00 0.08 0.00 0.00 59.36 59.06 2hgk h GLU 80 Cb 0.22 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2hgk h GLU 80 CO 0.01 0.48 -1.74 0.52 -2.18 0.00 0.00 179.01 176.10 2hgk h MET 81 N 0.74 0.25 -0.60 1.92 2.86 -1.32 -3.15 114.93 115.63 2hgk h MET 81 Ca 0.35 -0.43 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 2hgk h MET 81 Cb 0.39 0.16 -0.03 0.00 0.06 0.00 0.00 31.60 32.18 2hgk h MET 81 CO -0.13 1.10 0.32 0.00 1.06 0.00 0.00 176.91 179.26 2hgk h ALA 82 N 0.36 1.42 0.00 6.32 0.00 -0.54 -1.16 119.26 125.66 2hgk h ALA 82 Ca -0.32 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2hgk h ALA 82 Cb 2.04 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.58 2hgk h ALA 82 CO 0.13 0.47 -0.46 1.28 0.00 0.00 0.00 179.25 180.68 2hgk n LEU 83 N -4.38 0.50 0.00 0.00 4.77 0.29 -4.68 117.00 113.51 2hgk n LEU 83 Ca 0.06 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 2hgk n LEU 83 Cb 0.11 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 2hgk n LEU 83 CO 0.37 0.04 0.00 0.00 -1.33 0.00 0.00 177.39 176.48 2hgk n ALA 84 N -1.61 0.00 0.06 -1.18 0.00 -0.44 -3.79 120.51 113.55 2hgk n ALA 84 Ca 0.05 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.59 2hgk n ALA 84 Cb 0.37 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.66 2hgk n ALA 84 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2hgk n THR 85 N -1.53 0.00 0.29 0.00 -2.24 -1.26 -4.44 114.28 105.10 2hgk n THR 85 Ca 0.00 -0.44 0.14 0.00 -2.27 0.00 0.00 64.05 61.48 2hgk n THR 85 Cb 0.00 0.09 0.44 0.00 -2.10 0.00 0.00 70.33 68.77 2hgk n THR 85 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2hgk h ASP 86 N 0.00 0.00 -3.13 3.42 5.19 -2.00 -3.40 116.42 116.50 2hgk h ASP 86 Ca 0.00 0.00 -0.75 0.00 -0.62 0.00 0.00 57.03 55.66 2hgk h ASP 86 Cb 0.92 0.00 -0.24 0.00 0.18 0.00 0.00 39.33 40.18 2hgk h ASP 86 CO 0.00 0.00 -0.25 -2.28 -3.12 0.00 0.00 179.24 173.59 2hgk s HIS 87 N -3.41 3.26 0.40 4.55 2.46 -1.25 -4.94 115.29 116.35 2hgk s HIS 87 Ca 0.04 -1.28 0.17 0.00 0.47 0.00 0.00 55.06 54.46 2hgk s HIS 87 Cb 0.08 -3.69 0.97 0.00 -0.13 0.00 0.00 32.58 29.81 2hgk s HIS 87 CO 0.59 -0.99 1.93 -1.00 -2.47 0.00 0.00 174.74 172.80 2hgk h PRO 88 N 8.84 0.00 0.00 2.88 0.13 -1.91 -2.58 132.00 139.36 2hgk h PRO 88 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2hgk h PRO 88 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2hgk h PRO 88 CO 1.01 0.25 0.00 1.04 -0.23 0.00 0.00 178.00 180.07 2hgk n GLN 89 N -4.04 0.80 0.05 0.86 6.02 -1.26 -3.23 117.38 116.59 2hgk n GLN 89 Ca -0.02 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 56.97 2hgk n GLN 89 Cb 0.32 -1.01 0.29 0.00 1.02 0.00 0.00 30.24 30.86 2hgk n GLN 89 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 2hgk h ARG 90 N 0.00 0.39 -0.39 -1.09 0.11 -1.83 -3.22 114.38 108.35 2hgk h ARG 90 Ca 0.00 -0.11 0.06 0.00 0.10 0.00 0.00 59.98 60.03 2hgk h ARG 90 Cb 0.00 -0.04 -0.05 0.00 1.11 0.00 0.00 29.97 30.99 2hgk h ARG 90 CO 0.00 0.55 0.08 0.00 0.10 0.00 0.00 179.97 180.70 2hgk h ALA 91 N 1.48 0.42 -0.17 0.08 0.00 -1.83 0.38 119.26 119.62 2hgk h ALA 91 Ca 0.06 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2hgk h ALA 91 Cb 0.50 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2hgk h ALA 91 CO 0.03 -0.32 0.10 -0.07 0.00 0.00 0.00 179.25 178.99 2hgk h LEU 92 N 0.21 0.21 -0.19 0.00 3.38 -1.84 -0.19 115.31 116.88 2hgk h LEU 92 Ca 0.19 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 2hgk h LEU 92 Cb 0.22 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2hgk h LEU 92 CO -0.24 0.21 -0.03 0.40 0.09 0.00 0.00 178.44 178.88 2hgk h ILE 93 N 0.19 1.27 -0.53 1.22 2.04 -1.48 -2.75 117.51 117.47 2hgk h ILE 93 Ca 0.06 -0.96 -0.04 0.00 1.00 0.00 0.00 64.86 64.93 2hgk h ILE 93 Cb 0.05 1.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 2hgk h ILE 93 CO -0.01 0.29 0.19 -0.07 0.00 0.00 0.00 178.15 178.55 2hgk h LEU 94 N 0.08 0.75 -0.35 1.44 3.38 -0.20 -0.15 115.31 120.26 2hgk h LEU 94 Ca 0.05 -0.19 0.04 0.00 0.09 0.00 0.00 57.88 57.87 2hgk h LEU 94 Cb 0.45 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 2hgk h LEU 94 CO 0.01 0.73 0.13 0.00 0.09 0.00 0.00 178.44 179.41 2hgk h ALA 95 N 1.05 0.41 -0.20 1.53 0.00 -0.99 0.34 119.26 121.40 2hgk h ALA 95 Ca 0.17 0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.97 2hgk h ALA 95 Cb 0.23 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2hgk h ALA 95 CO -0.01 -0.26 -0.51 1.49 0.00 0.00 0.00 179.25 179.96 2hgk h GLU 96 N 0.29 0.55 -0.55 0.00 4.57 -1.34 -2.24 114.58 115.85 2hgk h GLU 96 Ca 0.16 -0.33 -0.01 0.00 -1.18 0.00 0.00 59.36 58.00 2hgk h GLU 96 Cb 0.12 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.72 2hgk h GLU 96 CO -0.15 0.93 0.29 -0.07 -1.18 0.00 0.00 179.01 178.83 2hgk h LEU 97 N 0.43 0.70 -1.64 1.64 3.38 -0.39 -1.87 115.31 117.57 2hgk h LEU 97 Ca 0.02 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 2hgk h LEU 97 Cb 1.04 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 2hgk h LEU 97 CO 0.10 0.61 0.04 -0.33 0.09 0.00 0.00 178.44 178.94 2hgk h GLU 98 N 0.74 0.27 -0.06 1.13 5.08 -0.14 0.50 114.58 122.10 2hgk h GLU 98 Ca 0.19 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 2hgk h GLU 98 Cb 0.07 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 2hgk h GLU 98 CO -0.03 0.26 0.00 -0.22 -1.00 0.00 0.00 179.01 178.02 2hgk h LYS 99 N 0.27 0.10 -0.66 2.33 3.64 -0.79 -0.00 116.57 121.46 2hgk h LYS 99 Ca 0.07 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.33 2hgk h LYS 99 Cb 0.13 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 2hgk h LYS 99 CO -0.00 0.37 0.08 1.25 -2.27 0.00 0.00 179.45 178.89 2hgk h LEU 100 N -0.18 1.06 -1.54 5.20 5.85 -0.90 -2.50 115.31 122.30 2hgk h LEU 100 Ca 0.02 -0.27 0.06 0.00 0.84 0.00 0.00 57.88 58.53 2hgk h LEU 100 Cb 0.33 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 2hgk h LEU 100 CO 0.00 1.07 0.39 -0.78 -0.34 0.00 0.00 178.44 178.78 2hgk h ASP 101 N 1.02 0.50 1.52 1.25 1.82 0.12 0.04 116.42 122.68 2hgk h ASP 101 Ca 0.20 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.81 2hgk h ASP 101 Cb 0.47 -0.11 -0.00 0.00 0.68 0.00 0.00 39.33 40.37 2hgk h ASP 101 CO 0.02 0.32 -0.11 0.00 -1.61 0.00 0.00 179.24 177.86 2hgk h ALA 102 N 1.68 0.95 -0.08 -0.78 0.00 -0.56 -2.70 119.26 117.78 2hgk h ALA 102 Ca 0.25 -0.10 -0.21 0.00 0.00 0.00 0.00 54.91 54.85 2hgk h ALA 102 Cb 0.28 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2hgk h ALA 102 CO -0.07 0.14 -0.82 -0.07 0.00 0.00 0.00 179.25 178.43 2hgk h LEU 103 N 0.00 0.68 -1.03 0.00 3.38 -0.70 -0.96 115.31 116.69 2hgk h LEU 103 Ca -0.00 -0.48 -0.09 0.00 0.09 0.00 0.00 57.88 57.41 2hgk h LEU 103 Cb 0.90 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 2hgk h LEU 103 CO 0.01 1.25 -0.41 -0.26 0.09 0.00 0.00 178.44 179.13 2hgk h PHE 104 N 0.36 0.00 -0.00 1.13 0.04 -1.39 -1.47 116.94 115.62 2hgk h PHE 104 Ca -0.06 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.71 2hgk h PHE 104 Cb 1.43 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.58 2hgk h PHE 104 CO 0.07 0.41 -0.06 0.00 -0.60 0.00 0.00 178.31 178.13 2hgk n ALA 105 N -2.35 2.54 -0.05 2.45 0.00 -1.03 -3.68 120.51 118.39 2hgk n ALA 105 Ca -0.01 -0.15 -0.21 0.00 0.00 0.00 0.00 53.44 53.07 2hgk n ALA 105 Cb 0.49 -1.43 -0.13 0.00 0.00 0.00 0.00 19.45 18.39 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 0.07 0.19 -1.30 0.00 3.58 -0.15 -3.41 116.42 115.39 2hgk h ASP 106 Ca 0.00 -0.73 -0.66 0.00 0.42 0.00 0.00 57.03 56.06 2hgk h ASP 106 Cb 0.42 -0.06 -0.11 0.00 1.72 0.00 0.00 39.33 41.29 2hgk h ASP 106 CO 0.00 1.55 1.69 -0.62 -2.88 0.00 0.00 179.24 178.98 2hgk s ASP 107 N -6.89 6.73 -0.01 2.28 2.15 -0.85 -4.94 116.67 115.14 2hgk s ASP 107 Ca -0.24 -2.13 0.06 0.00 0.43 0.00 0.00 52.55 50.67 2hgk s ASP 107 Cb 0.05 -2.53 -0.02 0.00 -0.30 0.00 0.00 42.92 40.12 2hgk s ASP 107 CO 0.68 -1.22 -0.19 0.00 -0.17 0.00 0.00 175.17 174.27 2hgk s ALA 108 N 3.95 1.61 0.22 3.66 0.00 -1.26 -4.05 121.76 125.89 2hgk s ALA 108 Ca 0.47 -0.86 -0.28 0.00 0.00 0.00 0.00 51.96 51.30 2hgk s ALA 108 Cb 0.01 -0.40 -0.09 0.00 0.00 0.00 0.00 23.12 22.64 2hgk s ALA 108 CO -0.01 0.39 0.88 0.45 0.00 0.00 0.00 175.76 177.46 2hgk s SER 109 N -0.55 7.50 0.50 0.00 0.15 -1.26 -4.94 113.70 115.10 2hgk s SER 109 Ca 0.07 1.81 0.22 0.00 0.70 0.00 0.00 55.95 58.76 2hgk s SER 109 Cb -0.08 -2.56 1.32 0.00 -1.71 0.00 0.00 66.02 63.00 2hgk s SER 109 CO -0.00 0.15 2.07 -0.07 1.20 0.00 0.00 173.24 176.58 2hgk h LEU 110 N 4.07 0.00 -8.20 3.45 3.38 -2.02 -3.35 115.31 112.65 2hgk h LEU 110 Ca -0.46 0.00 -0.71 0.00 0.09 0.00 0.00 57.88 56.80 2hgk h LEU 110 Cb 1.20 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 41.68 2hgk h LEU 110 CO 0.67 0.13 -0.51 -0.70 0.09 0.00 0.00 178.44 178.11 2hgk s GLU 111 N -4.45 2.65 0.28 1.13 2.12 -1.26 -4.97 118.70 114.21 2hgk s GLU 111 Ca -0.04 -1.30 0.02 0.00 0.36 0.00 0.00 54.97 54.01 2hgk s GLU 111 Cb 0.14 -3.69 0.42 0.00 0.26 0.00 0.00 34.13 31.26 2hgk s GLU 111 CO 0.63 -0.82 1.73 0.45 -0.54 0.00 0.00 175.26 176.70 2hgk h HIS 112 N 8.36 0.55 -3.33 5.30 3.86 -2.01 -3.26 115.15 124.62 2hgk h HIS 112 Ca -0.23 -0.11 -0.70 0.00 -1.16 0.00 0.00 60.37 58.17 2hgk h HIS 112 Cb 1.09 -0.14 -0.36 0.00 1.06 0.00 0.00 27.41 29.06 2hgk h HIS 112 CO 0.60 0.69 -0.18 -1.01 0.86 0.00 0.00 177.93 178.89 2hgk s HIS 113 N -4.54 3.79 -0.33 2.45 3.76 -1.26 -5.04 115.29 114.12 2hgk s HIS 113 Ca -0.07 -3.01 -0.19 0.00 -0.15 0.00 0.00 55.06 51.64 2hgk s HIS 113 Cb 0.14 -3.19 -0.01 0.00 1.11 0.00 0.00 32.58 30.63 2hgk s HIS 113 CO 0.79 -0.73 0.56 -1.58 -0.85 0.00 0.00 174.74 172.92 2hgk s HIS 114 N -1.17 3.19 0.64 1.40 2.46 -1.23 -5.06 115.29 115.52 2hgk s HIS 114 Ca 0.26 0.33 -0.05 0.00 0.47 0.00 0.00 55.06 56.07 2hgk s HIS 114 Cb -0.09 -2.96 0.04 0.00 -0.13 0.00 0.00 32.58 29.45 2hgk s HIS 114 CO -0.11 -0.52 0.93 -1.01 -2.47 0.00 0.00 174.74 171.56 2hgk s HIS 115 N 2.48 2.97 -0.71 3.88 3.76 -1.26 -4.99 115.29 121.42 2hgk s HIS 115 Ca 0.21 0.37 0.25 0.00 -0.15 0.00 0.00 55.06 55.74 2hgk s HIS 115 Cb -0.15 -2.99 0.59 0.00 1.11 0.00 0.00 32.58 31.13 2hgk s HIS 115 CO 0.13 -1.16 1.54 0.72 -0.85 0.00 0.00 174.74 175.12 2hgk n HIS 116 N -2.71 0.66 1.02 1.40 8.25 -1.26 -5.23 115.22 117.34 2hgk n HIS 116 Ca 0.07 0.19 0.12 0.00 -0.26 0.00 0.00 57.72 57.85 2hgk n HIS 116 Cb 0.60 -0.75 0.11 0.00 1.12 0.00 0.00 29.99 31.07 2hgk n HIS 116 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56