#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgk s THR 2 N 0.00 2.21 0.34 2.03 -4.23 -1.26 -4.98 115.64 109.75 2hgk s THR 2 Ca 0.00 -0.87 0.04 0.00 -1.18 0.00 0.00 61.69 59.68 2hgk s THR 2 Cb 0.00 -2.34 0.17 0.00 1.34 0.00 0.00 72.50 71.67 2hgk s THR 2 CO 0.00 0.00 1.89 0.74 -0.54 0.00 0.00 174.62 176.71 2hgk h THR 3 N -0.00 1.19 -0.35 3.99 2.02 -1.99 -2.36 112.91 115.42 2hgk h THR 3 Ca -0.33 -0.71 -0.03 0.00 0.77 0.00 0.00 66.41 66.11 2hgk h THR 3 Cb 1.28 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 68.52 2hgk h THR 3 CO 0.41 0.25 0.08 0.45 0.37 0.00 0.00 175.52 177.08 2hgk h HIS 4 N 0.55 0.51 -0.29 3.16 -0.00 -1.94 0.68 115.15 117.82 2hgk h HIS 4 Ca 0.12 -0.03 -0.05 0.00 -0.00 0.00 0.00 60.37 60.42 2hgk h HIS 4 Cb 0.27 -0.16 -0.01 0.00 -0.00 0.00 0.00 27.41 27.51 2hgk h HIS 4 CO 0.01 0.45 0.01 -0.44 -0.00 0.00 0.00 177.93 177.95 2hgk h ASP 5 N 0.50 0.50 -0.44 2.45 3.32 -1.81 -2.11 116.42 118.83 2hgk h ASP 5 Ca 0.12 -0.30 -0.07 0.00 0.02 0.00 0.00 57.03 56.79 2hgk h ASP 5 Cb 0.20 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 2hgk h ASP 5 CO -0.00 0.68 0.02 0.03 -1.72 0.00 0.00 179.24 178.24 2hgk h ARG 6 N 0.31 0.84 -0.57 3.56 3.08 -0.99 -0.65 114.38 119.96 2hgk h ARG 6 Ca 0.08 -0.23 -0.08 0.00 0.07 0.00 0.00 59.98 59.83 2hgk h ARG 6 Cb 0.42 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 2hgk h ARG 6 CO 0.01 0.83 0.03 0.28 -1.07 0.00 0.00 179.97 180.06 2hgk h VAL 7 N 0.79 1.26 -0.62 2.04 2.07 -0.87 0.70 116.25 121.62 2hgk h VAL 7 Ca 0.15 -1.06 -0.03 0.00 0.82 0.00 0.00 66.70 66.59 2hgk h VAL 7 Cb 0.45 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 2hgk h VAL 7 CO 0.02 0.38 0.29 -0.09 0.02 0.00 0.00 177.57 178.19 2hgk h ARG 8 N 0.90 0.90 -0.61 1.57 2.43 -0.64 0.11 114.38 119.04 2hgk h ARG 8 Ca 0.17 -0.14 -0.08 0.00 -0.81 0.00 0.00 59.98 59.12 2hgk h ARG 8 Cb 0.48 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 2hgk h ARG 8 CO 0.02 0.73 0.08 -0.07 -1.51 0.00 0.00 179.97 179.23 2hgk h LEU 9 N 0.85 0.98 -0.94 3.80 3.38 -0.91 -2.40 115.31 120.08 2hgk h LEU 9 Ca 0.21 -0.27 0.06 0.00 0.09 0.00 0.00 57.88 57.97 2hgk h LEU 9 Cb 0.14 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.57 2hgk h LEU 9 CO -0.02 1.00 0.60 -0.61 0.09 0.00 0.00 178.44 179.50 2hgk h GLN 10 N 0.92 1.08 -0.26 1.13 5.75 -0.30 0.34 115.11 123.76 2hgk h GLN 10 Ca 0.18 -0.06 0.01 0.00 -0.15 0.00 0.00 58.65 58.63 2hgk h GLN 10 Cb 0.45 -0.24 -0.02 0.00 1.07 0.00 0.00 27.48 28.74 2hgk h GLN 10 CO 0.01 0.71 0.15 -0.07 -2.65 0.00 0.00 178.83 176.99 2hgk h LEU 11 N 1.11 0.25 -1.07 -2.39 3.38 -0.40 0.14 115.31 116.33 2hgk h LEU 11 Ca 0.40 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.30 2hgk h LEU 11 Cb 0.13 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 2hgk h LEU 11 CO -0.16 0.18 -0.08 1.56 0.09 0.00 0.00 178.44 180.03 2hgk h GLN 12 N 0.31 0.57 -0.30 1.13 4.20 -0.93 0.30 115.11 120.40 2hgk h GLN 12 Ca 0.10 -0.16 -0.03 0.00 0.06 0.00 0.00 58.65 58.63 2hgk h GLN 12 Cb -0.00 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 2hgk h GLN 12 CO -0.05 0.65 0.07 0.00 -0.67 0.00 0.00 178.83 178.84 2hgk h ALA 13 N 1.39 0.39 -0.66 3.87 0.00 -0.43 0.14 119.26 123.95 2hgk h ALA 13 Ca 0.10 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 2hgk h ALA 13 Cb 0.46 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 2hgk h ALA 13 CO 0.02 0.05 0.13 1.25 0.00 0.00 0.00 179.25 180.70 2hgk h LEU 14 N 0.31 1.03 -0.28 0.00 5.85 -0.38 0.82 115.31 122.66 2hgk h LEU 14 Ca 0.09 -0.25 0.03 0.00 0.84 0.00 0.00 57.88 58.59 2hgk h LEU 14 Cb 0.29 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 2hgk h LEU 14 CO 0.00 1.02 0.09 -0.08 -0.34 0.00 0.00 178.44 179.13 2hgk h GLU 15 N 1.00 0.21 -0.72 1.25 4.81 -0.20 0.18 114.58 121.11 2hgk h GLU 15 Ca 0.20 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.39 2hgk h GLU 15 Cb 0.41 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.71 2hgk h GLU 15 CO 0.01 0.14 0.34 0.00 -0.73 0.00 0.00 179.01 178.76 2hgk h ALA 16 N 1.19 0.92 -0.20 2.92 0.00 -0.43 0.18 119.26 123.84 2hgk h ALA 16 Ca 0.13 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2hgk h ALA 16 Cb 0.10 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2hgk h ALA 16 CO -0.14 0.49 0.13 1.25 0.00 0.00 0.00 179.25 180.98 2hgk h LEU 17 N 1.00 0.23 -1.14 0.00 6.46 -0.25 0.21 115.31 121.83 2hgk h LEU 17 Ca 0.25 -0.02 -0.07 0.00 -0.12 0.00 0.00 57.88 57.92 2hgk h LEU 17 Cb 0.13 -0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 39.98 2hgk h LEU 17 CO -0.03 0.18 -0.11 -0.07 -0.62 0.00 0.00 178.44 177.80 2hgk h LEU 18 N 0.26 0.45 -0.94 2.25 3.38 -0.45 -1.82 115.31 118.44 2hgk h LEU 18 Ca 0.07 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 2hgk h LEU 18 Cb -0.01 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2hgk h LEU 18 CO -0.01 0.60 -0.23 -0.09 0.09 0.00 0.00 178.44 178.80 2hgk h ARG 19 N 0.44 0.50 -0.83 1.13 2.43 -0.36 -1.82 114.38 115.87 2hgk h ARG 19 Ca 0.08 -0.18 0.05 0.00 -0.81 0.00 0.00 59.98 59.12 2hgk h ARG 19 Cb 0.46 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.92 2hgk h ARG 19 CO 0.03 0.70 0.52 0.93 -1.51 0.00 0.00 179.97 180.64 2hgk h GLU 20 N 0.45 0.95 -0.49 0.20 5.08 0.26 -1.11 114.58 119.91 2hgk h GLU 20 Ca 0.07 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2hgk h GLU 20 Cb 0.65 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2hgk h GLU 20 CO 0.05 0.63 0.00 0.72 -1.00 0.00 0.00 179.01 179.41 2hgk n HIS 21 N -4.61 0.66 -2.90 4.33 8.25 -0.99 -4.90 115.22 115.05 2hgk n HIS 21 Ca 0.11 -0.28 -0.21 0.00 -0.26 0.00 0.00 57.72 57.08 2hgk n HIS 21 Cb 0.14 -0.09 0.02 0.00 1.12 0.00 0.00 29.99 31.17 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 0.50 -3.75 0.03 -0.41 6.02 -0.42 -4.84 117.38 114.51 2hgk n GLN 22 Ca 0.13 0.82 0.11 0.00 -0.01 0.00 0.00 57.00 58.05 2hgk n GLN 22 Cb 0.43 -5.59 0.09 0.00 1.02 0.00 0.00 30.24 26.19 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 -4.20 0.27 -2.01 1.08 8.25 -0.73 -4.90 115.22 112.98 2hgk n HIS 23 Ca -0.13 0.08 -0.42 0.00 -0.26 0.00 0.00 57.72 56.99 2hgk n HIS 23 Cb 0.62 -0.43 -0.03 0.00 1.12 0.00 0.00 29.99 31.27 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 -3.15 2.43 -0.03 4.41 -0.11 -1.24 -5.00 118.94 116.25 2hgk s TRP 24 Ca 0.06 0.41 0.07 0.00 1.22 0.00 0.00 56.10 57.85 2hgk s TRP 24 Cb 0.15 -3.89 -0.02 0.00 -1.50 0.00 0.00 33.47 28.21 2hgk s TRP 24 CO 0.77 -3.54 -0.24 1.03 -4.62 0.00 0.00 176.95 170.35 2hgk s ARG 25 N 2.86 2.24 -1.17 5.86 0.52 -1.26 -5.03 118.95 122.98 2hgk s ARG 25 Ca 0.72 -0.88 -0.20 0.00 -0.52 0.00 0.00 55.73 54.84 2hgk s ARG 25 Cb -0.37 -2.12 0.07 0.00 0.52 0.00 0.00 34.95 33.05 2hgk s ARG 25 CO 0.30 0.55 1.60 1.21 0.02 0.00 0.00 175.30 178.98 2hgk s ASN 26 N -0.57 6.70 0.02 0.23 2.47 -1.26 -4.95 114.94 117.59 2hgk s ASN 26 Ca 0.08 -2.04 0.00 0.00 0.42 0.00 0.00 52.86 51.32 2hgk s ASN 26 Cb -0.11 -2.57 0.00 0.00 -1.45 0.00 0.00 41.25 37.13 2hgk s ASN 26 CO -0.00 -1.30 0.00 -0.67 -3.72 0.00 0.00 177.10 171.41 2hgk n ASP 27 N 8.48 0.00 -4.00 -4.21 -0.08 -1.26 -5.13 116.55 110.34 2hgk n ASP 27 Ca 0.41 -0.84 -0.20 0.00 -1.51 0.00 0.00 54.79 52.65 2hgk n ASP 27 Cb 0.48 0.00 -0.15 0.00 2.34 0.00 0.00 41.12 43.79 2hgk n ASP 27 CO 0.00 0.00 0.00 -1.83 0.12 0.00 0.00 177.20 175.49 2hgk s GLU 28 N -1.23 0.96 -0.73 -0.67 -1.05 -1.26 -5.08 118.70 109.64 2hgk s GLU 28 Ca 0.00 -0.30 -0.26 0.00 -0.15 0.00 0.00 54.97 54.26 2hgk s GLU 28 Cb 0.00 -0.89 -0.03 0.00 -0.44 0.00 0.00 34.13 32.76 2hgk s GLU 28 CO 0.00 0.11 1.91 -1.25 0.95 0.00 0.00 175.26 176.98 2hgk s PRO 29 N 0.20 2.58 0.08 -4.83 0.04 -1.26 -4.97 135.00 126.84 2hgk s PRO 29 Ca -0.03 0.26 -0.12 0.00 0.04 0.00 0.00 61.00 61.14 2hgk s PRO 29 Cb -0.08 -4.67 -0.06 0.00 0.04 0.00 0.00 34.50 29.73 2hgk s PRO 29 CO 0.00 -3.02 0.45 -0.65 0.04 0.00 0.00 177.00 173.82 2hgk s GLN 30 N 7.07 3.86 0.58 4.56 -0.21 -1.26 -4.97 119.66 129.29 2hgk s GLN 30 Ca 0.69 0.33 0.32 0.00 0.02 0.00 0.00 55.36 56.71 2hgk s GLN 30 Cb -0.10 -3.03 1.78 0.00 1.00 0.00 0.00 33.01 32.66 2hgk s GLN 30 CO 0.12 0.57 2.20 -1.00 -2.12 0.00 0.00 175.29 175.06 2hgk h PRO 31 N 3.90 0.00 -0.67 2.91 0.13 -1.99 -0.14 132.00 136.14 2hgk h PRO 31 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 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 0.65 0.04 0.00 1.58 -0.23 0.00 0.00 178.00 180.04 2hgk n HIS 32 N -3.60 1.15 -0.08 1.56 -0.00 -1.26 -2.62 115.22 110.37 2hgk n HIS 32 Ca -0.02 -0.42 -0.10 0.00 0.46 0.00 0.00 57.72 57.63 2hgk n HIS 32 Cb 0.15 -0.28 -0.09 0.00 -0.12 0.00 0.00 29.99 29.65 2hgk n HIS 32 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 2hgk n GLN 33 N 0.50 0.87 -0.23 1.57 6.02 -0.07 -4.67 117.38 121.37 2hgk n GLN 33 Ca 0.17 0.07 0.12 0.00 -0.01 0.00 0.00 57.00 57.34 2hgk n GLN 33 Cb 0.74 -1.35 0.24 0.00 1.02 0.00 0.00 30.24 30.89 2hgk n GLN 33 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 2hgk n PHE 34 N -2.84 0.61 0.67 1.08 3.72 -1.18 -4.00 117.46 115.52 2hgk n PHE 34 Ca -0.28 -0.31 0.13 0.00 -0.05 0.00 0.00 57.45 56.94 2hgk n PHE 34 Cb 0.86 -0.00 0.35 0.00 -0.94 0.00 0.00 39.48 39.76 2hgk n PHE 34 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 2hgk n ASN 35 N 1.53 0.68 -4.60 4.37 6.94 -1.08 -4.66 115.26 118.43 2hgk n ASN 35 Ca 0.20 0.40 -0.43 0.00 -0.02 0.00 0.00 54.58 54.73 2hgk n ASN 35 Cb 0.61 -0.44 -0.02 0.00 -2.36 0.00 0.00 39.78 37.57 2hgk n ASN 35 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 2hgk s SER 36 N -4.20 6.25 -0.20 0.53 0.15 -1.26 -4.85 113.70 110.12 2hgk s SER 36 Ca 0.10 0.99 0.12 0.00 0.70 0.00 0.00 55.95 57.86 2hgk s SER 36 Cb 0.14 -2.54 0.69 0.00 -1.71 0.00 0.00 66.02 62.60 2hgk s SER 36 CO 0.63 -1.47 1.56 1.07 1.20 0.00 0.00 173.24 176.22 2hgk n THR 37 N 7.09 2.34 -2.79 6.45 5.66 -1.26 -4.68 114.28 127.09 2hgk n THR 37 Ca 0.18 -1.18 -0.38 0.00 -3.05 0.00 0.00 64.05 59.62 2hgk n THR 37 Cb 0.47 -0.32 -0.06 0.00 -1.55 0.00 0.00 70.33 68.87 2hgk n THR 37 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 175.07 170.44 2hgk s GLN 38 N -2.49 4.63 0.57 1.09 0.74 -1.26 -4.94 119.66 117.99 2hgk s GLN 38 Ca 0.46 1.34 0.28 0.00 0.05 0.00 0.00 55.36 57.49 2hgk s GLN 38 Cb 0.35 -2.90 1.51 0.00 1.10 0.00 0.00 33.01 33.07 2hgk s GLN 38 CO 0.13 0.33 1.98 -1.35 -0.55 0.00 0.00 175.29 175.84 2hgk h PRO 39 N 3.39 0.00 -0.11 1.67 0.11 -2.04 0.22 132.00 135.24 2hgk h PRO 39 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2hgk h PRO 39 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2hgk h PRO 39 CO 0.66 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.64 2hgk n PHE 40 N -3.93 0.21 -3.70 0.65 3.01 -1.26 -4.97 117.46 107.46 2hgk n PHE 40 Ca 0.07 -0.62 -0.28 0.00 1.01 0.00 0.00 57.45 57.63 2hgk n PHE 40 Cb 0.57 -0.09 0.00 0.00 -0.01 0.00 0.00 39.48 39.96 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 -0.40 -1.96 1.68 1.38 3.01 0.77 -4.76 117.46 117.18 2hgk n PHE 41 Ca 0.08 0.68 0.00 0.00 1.01 0.00 0.00 57.45 59.22 2hgk n PHE 41 Cb 0.42 -3.38 0.00 0.00 -0.01 0.00 0.00 39.48 36.52 2hgk n PHE 41 CO 0.00 0.00 0.00 -1.33 1.01 0.00 0.00 176.76 176.44 2hgk n MET 42 N -4.19 0.87 -0.02 -1.08 2.81 -1.26 -0.57 117.12 113.68 2hgk n MET 42 Ca 0.02 0.00 -0.22 0.00 -1.81 0.00 0.00 57.70 55.69 2hgk n MET 42 Cb 0.53 -1.03 -0.13 0.00 -0.71 0.00 0.00 33.22 31.88 2hgk n MET 42 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 2hgk h ASP 43 N 0.01 0.31 0.00 7.83 3.32 -1.94 -3.42 116.42 122.53 2hgk h ASP 43 Ca 0.00 -0.81 -0.29 0.00 0.02 0.00 0.00 57.03 55.95 2hgk h ASP 43 Cb 0.03 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 39.42 2hgk h ASP 43 CO 0.00 1.68 -2.13 0.35 -1.72 0.00 0.00 179.24 177.42 2hgk n THR 44 N -3.89 1.08 -4.51 0.35 -2.24 -0.93 -5.02 114.28 99.13 2hgk n THR 44 Ca -0.29 -0.69 -0.24 0.00 -2.27 0.00 0.00 64.05 60.56 2hgk n THR 44 Cb 0.90 -0.52 -0.11 0.00 -2.10 0.00 0.00 70.33 68.51 2hgk n THR 44 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 2hgk s MET 45 N -2.45 1.76 0.14 -0.78 -1.94 0.27 -5.05 119.30 111.25 2hgk s MET 45 Ca -0.08 -1.98 -0.12 0.00 -1.71 0.00 0.00 55.69 51.80 2hgk s MET 45 Cb 0.05 -1.13 -0.07 0.00 2.01 0.00 0.00 34.83 35.70 2hgk s MET 45 CO 0.69 -0.14 0.50 -1.21 -0.01 0.00 0.00 175.02 174.84 2hgk s GLU 46 N -3.83 3.87 -0.90 2.03 2.02 -1.26 -4.03 118.70 116.59 2hgk s GLU 46 Ca 0.36 0.33 -0.24 0.00 0.02 0.00 0.00 54.97 55.44 2hgk s GLU 46 Cb 0.09 -2.89 -0.16 0.00 0.10 0.00 0.00 34.13 31.27 2hgk s GLU 46 CO 0.16 0.47 1.91 -2.30 0.02 0.00 0.00 175.26 175.53 2hgk n PRO 47 N 0.62 1.30 0.00 0.39 -0.02 -1.26 -2.71 135.00 133.32 2hgk n PRO 47 Ca -0.05 -2.03 0.00 0.00 -2.02 0.00 0.00 63.50 59.40 2hgk n PRO 47 Cb 0.52 -3.31 0.00 0.00 -0.02 0.00 0.00 33.50 30.69 2hgk n PRO 47 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2hgk n LEU 48 N 11.58 0.00 -0.29 2.45 7.94 -1.26 -4.85 117.00 132.57 2hgk n LEU 48 Ca 0.47 0.00 0.11 0.00 -1.11 0.00 0.00 56.01 55.47 2hgk n LEU 48 Cb 0.44 0.00 0.50 0.00 0.53 0.00 0.00 43.42 44.89 2hgk n LEU 48 CO 0.87 0.00 0.84 -0.62 -1.11 0.00 0.00 177.39 177.36 2hgk n GLU 49 N 0.00 1.39 0.22 1.96 1.02 -1.10 -2.89 120.64 121.24 2hgk n GLU 49 Ca 0.00 -0.58 0.08 0.00 -0.02 0.00 0.00 57.16 56.64 2hgk n GLU 49 Cb 0.00 -1.37 0.52 0.00 -0.02 0.00 0.00 31.44 30.56 2hgk n GLU 49 CO 0.00 0.00 0.00 2.35 1.18 0.00 0.00 177.13 180.66 2hgk h TRP 50 N 1.21 0.00 -0.81 -0.32 7.01 -1.87 -2.99 115.95 118.19 2hgk h TRP 50 Ca 0.00 0.00 0.09 0.00 2.11 0.00 0.00 58.89 61.09 2hgk h TRP 50 Cb 0.26 0.00 -0.07 0.00 -2.10 0.00 0.00 29.16 27.25 2hgk h TRP 50 CO 0.05 0.25 0.45 -0.07 -2.79 0.00 0.00 178.44 176.33 2hgk h LEU 51 N 0.00 0.64-10.08 0.65 3.38 -1.87 -1.44 115.31 106.59 2hgk h LEU 51 Ca -0.00 0.05 -0.53 0.00 0.09 0.00 0.00 57.88 57.49 2hgk h LEU 51 Cb 0.56 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 2hgk h LEU 51 CO 0.03 0.37 -0.27 0.00 0.09 0.00 0.00 178.44 178.66 2hgk s GLN 52 N -6.04 3.56 0.00 1.13 -2.07 -1.13 -1.92 119.66 113.19 2hgk s GLN 52 Ca -0.12 -0.22 0.00 0.00 -1.82 0.00 0.00 55.36 53.19 2hgk s GLN 52 Cb 0.19 -2.77 0.00 0.00 -1.09 0.00 0.00 33.01 29.34 2hgk s GLN 52 CO 0.78 0.33 0.00 1.87 -1.32 0.00 0.00 175.29 176.95 2hgk n TRP 53 N -0.78 0.00 -0.01 9.60 -0.00 -1.26 -4.31 117.44 120.68 2hgk n TRP 53 Ca -0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 57.50 57.45 2hgk n TRP 53 Cb 0.54 0.00 -0.00 0.00 -0.00 0.00 0.00 31.31 31.85 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 0.21 0.02 5.87 0.31 -1.24 -4.48 118.33 119.01 2hgk n VAL 54 Ca 0.00 0.36 -0.10 0.00 -0.01 0.00 0.00 64.34 64.59 2hgk n VAL 54 Cb 0.00 -1.50 -0.04 0.00 -0.91 0.00 0.00 33.84 31.39 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 -0.11 -0.50 0.65 7.52 5.85 -1.30 0.19 115.31 127.61 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 0.11 0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 2hgk h LEU 55 CO 0.00 -0.22 -0.50 0.40 -0.34 0.00 0.00 178.44 177.78 2hgk h ILE 56 N -0.23 0.01 -0.90 4.05 2.04 -1.64 0.11 117.51 120.95 2hgk h ILE 56 Ca 0.08 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.98 2hgk h ILE 56 Cb 0.34 0.01 -0.05 0.00 -0.74 0.00 0.00 36.82 36.38 2hgk h ILE 56 CO -0.22 0.00 0.58 -0.65 0.00 0.00 0.00 178.15 177.87 2hgk h PRO 57 N -1.12 1.10 -0.91 2.37 0.11 -1.76 -0.30 132.00 131.49 2hgk h PRO 57 Ca -0.08 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.96 2hgk h PRO 57 Cb 0.93 -0.25 -0.04 0.00 0.11 0.00 0.00 31.00 31.75 2hgk h PRO 57 CO 0.02 0.73 0.58 -0.09 -0.21 0.00 0.00 178.00 179.02 2hgk h ARG 58 N 1.13 1.22 0.00 1.05 2.43 -0.40 -1.17 114.38 118.64 2hgk h ARG 58 Ca 0.36 -0.09 -0.13 0.00 -0.81 0.00 0.00 59.98 59.32 2hgk h ARG 58 Cb 0.01 -0.27 -0.02 0.00 -0.42 0.00 0.00 29.97 29.28 2hgk h ARG 58 CO -0.12 0.83 -0.60 0.52 -1.51 0.00 0.00 179.97 179.09 2hgk h MET 59 N 1.24 0.00 -0.98 0.20 2.86 -0.33 -1.53 114.93 116.40 2hgk h MET 59 Ca 0.33 0.00 0.07 0.00 -2.06 0.00 0.00 59.70 58.04 2hgk h MET 59 Cb -0.10 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.49 2hgk h MET 59 CO -0.07 0.60 0.63 0.45 1.06 0.00 0.00 176.91 179.58 2hgk h HIS 60 N 0.00 1.16 -0.01 -0.22 3.86 0.13 0.34 115.15 120.41 2hgk h HIS 60 Ca -0.01 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.23 2hgk h HIS 60 Cb 1.13 -0.38 -0.00 0.00 1.06 0.00 0.00 27.41 29.23 2hgk h HIS 60 CO 0.00 0.58 -0.02 0.22 0.86 0.00 0.00 177.93 179.57 2hgk h ASP 61 N 1.12 0.03 -0.53 2.45 1.82 -1.07 -2.61 116.42 117.64 2hgk h ASP 61 Ca 0.43 -0.54 0.04 0.00 -0.39 0.00 0.00 57.03 56.57 2hgk h ASP 61 Cb 0.21 -0.01 -0.04 0.00 0.68 0.00 0.00 39.33 40.17 2hgk h ASP 61 CO -0.19 0.56 0.29 0.25 -1.61 0.00 0.00 179.24 178.54 2hgk h LEU 62 N -0.50 0.43 -1.09 2.28 6.46 -0.89 -1.84 115.31 120.16 2hgk h LEU 62 Ca 0.00 0.02 -0.09 0.00 -0.12 0.00 0.00 57.88 57.70 2hgk h LEU 62 Cb 0.56 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 40.41 2hgk h LEU 62 CO 0.00 0.30 -0.28 -0.07 -0.62 0.00 0.00 178.44 177.77 2hgk h LEU 63 N 0.56 0.30 -1.01 2.25 3.38 -0.42 -2.63 115.31 117.74 2hgk h LEU 63 Ca 0.23 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 58.00 2hgk h LEU 63 Cb 0.10 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2hgk h LEU 63 CO -0.14 0.58 -0.35 -0.78 0.09 0.00 0.00 178.44 177.84 2hgk h ASP 64 N 0.27 0.27 -0.23 -0.43 1.82 -0.95 -1.99 116.42 115.17 2hgk h ASP 64 Ca 0.04 -0.10 0.00 0.00 -0.39 0.00 0.00 57.03 56.58 2hgk h ASP 64 Cb 0.64 -0.07 0.00 0.00 0.68 0.00 0.00 39.33 40.57 2hgk h ASP 64 CO 0.05 0.61 0.00 0.59 -1.61 0.00 0.00 179.24 178.87 2hgk n ASN 65 N -4.07 1.22 -2.89 2.28 5.03 -0.83 -4.89 115.26 111.11 2hgk n ASN 65 Ca -0.01 -1.99 -0.21 0.00 0.87 0.00 0.00 54.58 53.24 2hgk n ASN 65 Cb 0.44 -0.15 0.01 0.00 -1.02 0.00 0.00 39.78 39.06 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 0.16 -3.57 -2.20 3.52 5.02 -0.75 -4.94 118.16 115.40 2hgk n LYS 66 Ca 0.08 0.79 -0.41 0.00 -2.02 0.00 0.00 58.31 56.75 2hgk n LYS 66 Cb 0.19 -5.54 -0.03 0.00 -0.02 0.00 0.00 35.03 29.64 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 -5.55 4.43 0.00 1.97 -1.52 -1.05 -4.88 119.66 113.06 2hgk s GLN 67 Ca 0.22 2.11 0.00 0.00 -1.95 0.00 0.00 55.36 55.74 2hgk s GLN 67 Cb -0.11 -3.10 0.00 0.00 -0.22 0.00 0.00 33.01 29.58 2hgk s GLN 67 CO 0.27 -0.09 0.57 -2.30 -0.25 0.00 0.00 175.29 173.49 2hgk n PRO 68 N 0.93 0.75 -1.07 2.91 -0.02 -1.26 -4.83 135.00 132.41 2hgk n PRO 68 Ca -0.00 0.00 0.14 0.00 -2.02 0.00 0.00 63.50 61.62 2hgk n PRO 68 Cb 0.43 -1.25 -0.05 0.00 -0.02 0.00 0.00 33.50 32.61 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 0.38 -0.65 0.11 2.45 4.77 -1.26 -3.69 117.00 119.10 2hgk n LEU 69 Ca 0.00 1.49 0.11 0.00 -0.03 0.00 0.00 56.01 57.58 2hgk n LEU 69 Cb 0.28 -3.46 0.60 0.00 -2.33 0.00 0.00 43.42 38.52 2hgk n LEU 69 CO 0.00 -2.23 1.13 -0.65 -1.33 0.00 0.00 177.39 174.31 2hgk h PRO 70 N -1.02 0.14 0.00 3.23 0.11 -1.91 -3.45 132.00 129.10 2hgk h PRO 70 Ca -0.07 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.04 2hgk h PRO 70 Cb 1.00 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.08 2hgk h PRO 70 CO 0.04 0.09 0.00 0.41 -0.21 0.00 0.00 178.00 178.33 2hgk n GLY 71 N -1.55 0.81 1.52 -0.55 0.00 -1.26 -4.58 105.19 99.58 2hgk n GLY 71 Ca 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.01 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 1.00 3.27 -2.54 4.61 0.00 -1.26 -4.73 120.51 120.85 2hgk n ALA 72 Ca 0.00 -1.19 -0.42 0.00 0.00 0.00 0.00 53.44 51.83 2hgk n ALA 72 Cb 0.01 -0.53 -0.08 0.00 0.00 0.00 0.00 19.45 18.85 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 -0.22 3.16 -0.18 0.00 5.36 -1.26 -5.01 117.98 119.84 2hgk s PHE 73 Ca 0.10 0.09 -0.05 0.00 -0.96 0.00 0.00 56.93 56.11 2hgk s PHE 73 Cb 0.18 -2.98 0.07 0.00 -0.34 0.00 0.00 43.02 39.94 2hgk s PHE 73 CO -0.06 -0.60 0.11 0.00 -1.46 0.00 0.00 175.22 173.21 2hgk s ALA 74 N 2.43 0.29 -0.13 11.12 0.00 -1.26 -4.71 121.76 129.49 2hgk s ALA 74 Ca 0.19 -0.20 0.19 0.00 0.00 0.00 0.00 51.96 52.14 2hgk s ALA 74 Cb -0.15 -1.08 -0.26 0.00 0.00 0.00 0.00 23.12 21.62 2hgk s ALA 74 CO 0.14 -1.18 0.32 1.33 0.00 0.00 0.00 175.76 176.37 2hgk n VAL 75 N 5.29 0.94 -0.11 0.00 0.24 -1.26 -4.47 118.33 118.96 2hgk n VAL 75 Ca -0.07 -0.72 -0.07 0.00 -2.04 0.00 0.00 64.34 61.44 2hgk n VAL 75 Cb 0.49 -0.38 0.01 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 1.36 0.46 -0.97 2.33 0.00 -1.93 -0.33 119.26 120.18 2hgk h ALA 76 Ca -0.32 0.02 0.17 0.00 0.00 0.00 0.00 54.91 54.78 2hgk h ALA 76 Cb 1.77 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 19.42 2hgk h ALA 76 CO 0.02 -0.20 0.58 -1.35 0.00 0.00 0.00 179.25 178.30 2hgk h PRO 77 N 0.36 0.74 -0.04 0.00 0.11 -1.98 0.12 132.00 131.31 2hgk h PRO 77 Ca 0.16 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 66.11 2hgk h PRO 77 Cb 0.09 -0.17 0.01 0.00 0.11 0.00 0.00 31.00 31.04 2hgk h PRO 77 CO -0.13 0.49 -0.44 -0.92 -0.21 0.00 0.00 178.00 176.80 2hgk h TYR 78 N 0.77 0.51 0.00 0.65 3.20 -1.61 -3.20 116.97 117.30 2hgk h TYR 78 Ca 0.54 -0.25 -0.04 0.00 3.14 0.00 0.00 58.73 62.12 2hgk h TYR 78 Cb 0.79 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.98 2hgk h TYR 78 CO -0.02 1.04 -0.17 1.88 -1.64 0.00 0.00 178.16 179.24 2hgk h TYR 79 N -0.16 0.00 -0.94 -3.82 0.05 -0.67 0.17 116.97 111.59 2hgk h TYR 79 Ca -0.04 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.73 2hgk h TYR 79 Cb 1.13 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.82 2hgk h TYR 79 CO 0.14 0.17 0.58 1.49 -1.05 0.00 0.00 178.16 179.50 2hgk h GLU 80 N 0.00 1.27 0.08 4.88 4.81 -0.77 0.19 114.58 125.04 2hgk h GLU 80 Ca -0.00 -0.11 -0.28 0.00 -0.13 0.00 0.00 59.36 58.84 2hgk h GLU 80 Cb 0.48 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 2hgk h GLU 80 CO 0.02 0.88 -1.41 0.52 -0.73 0.00 0.00 179.01 178.29 2hgk h MET 81 N 1.29 0.17 0.00 1.92 2.86 -1.28 -3.37 114.93 116.53 2hgk h MET 81 Ca 0.34 -0.29 -0.00 0.00 -2.06 0.00 0.00 59.70 57.69 2hgk h MET 81 Cb -0.08 0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.69 2hgk h MET 81 CO -0.07 1.02 -0.00 0.00 1.06 0.00 0.00 176.91 178.92 2hgk h ALA 82 N 0.67 -0.01 -2.68 6.32 0.00 -0.48 -3.44 119.26 119.64 2hgk h ALA 82 Ca -0.19 -0.28 -0.50 0.00 0.00 0.00 0.00 54.91 53.95 2hgk h ALA 82 Cb 1.96 0.00 0.03 0.00 0.00 0.00 0.00 17.79 19.78 2hgk h ALA 82 CO 0.15 -0.22 0.46 -0.51 0.00 0.00 0.00 179.25 179.13 2hgk s LEU 83 N -9.08 4.30 0.48 0.00 1.43 0.66 -5.05 118.68 111.42 2hgk s LEU 83 Ca -0.16 2.22 0.05 0.00 -1.03 0.00 0.00 54.13 55.20 2hgk s LEU 83 Cb 0.01 -3.93 -0.02 0.00 0.03 0.00 0.00 46.19 42.27 2hgk s LEU 83 CO 0.67 -0.42 0.15 0.00 0.23 0.00 0.00 176.35 176.98 2hgk s ALA 84 N -1.41 3.90 -1.43 4.21 0.00 -1.26 -4.86 121.76 120.91 2hgk s ALA 84 Ca 0.53 -1.35 0.17 0.00 0.00 0.00 0.00 51.96 51.31 2hgk s ALA 84 Cb -0.28 -0.24 0.87 0.00 0.00 0.00 0.00 23.12 23.46 2hgk s ALA 84 CO 0.36 -0.17 1.51 -2.37 0.00 0.00 0.00 175.76 175.08 2hgk n THR 85 N -1.33 0.49 -0.12 0.00 5.66 -1.26 -3.56 114.28 114.17 2hgk n THR 85 Ca -0.08 0.12 -0.05 0.00 -3.05 0.00 0.00 64.05 60.99 2hgk n THR 85 Cb 0.66 -0.84 0.01 0.00 -1.55 0.00 0.00 70.33 68.61 2hgk n THR 85 CO 0.00 0.00 0.00 -0.78 -3.05 0.00 0.00 175.07 171.24 2hgk h ASP 86 N 0.00 -0.63 -3.51 1.09 3.58 -2.01 -3.38 116.42 111.55 2hgk h ASP 86 Ca 0.00 0.15 -0.65 0.00 0.42 0.00 0.00 57.03 56.95 2hgk h ASP 86 Cb 0.16 0.35 -0.25 0.00 1.72 0.00 0.00 39.33 41.31 2hgk h ASP 86 CO 0.00 -0.22 -0.67 -2.28 -2.88 0.00 0.00 179.24 173.19 2hgk s HIS 87 N -6.15 3.02 1.18 0.28 2.46 -1.23 -5.10 115.29 109.74 2hgk s HIS 87 Ca -0.14 -0.67 -0.18 0.00 0.47 0.00 0.00 55.06 54.54 2hgk s HIS 87 Cb 0.15 -2.16 0.27 0.00 -0.13 0.00 0.00 32.58 30.71 2hgk s HIS 87 CO 0.70 -0.44 1.08 -2.14 -2.47 0.00 0.00 174.74 171.48 2hgk s PRO 88 N 1.50 -1.03 -1.59 2.88 0.02 -1.26 -4.02 135.00 131.50 2hgk s PRO 88 Ca 0.06 0.12 0.00 0.00 0.02 0.00 0.00 61.00 61.19 2hgk s PRO 88 Cb -0.15 -1.60 0.00 0.00 0.02 0.00 0.00 34.50 32.77 2hgk s PRO 88 CO 0.00 -3.62 0.00 1.04 -0.33 0.00 0.00 177.00 174.09 2hgk n GLN 89 N -4.73 -1.11 0.09 5.54 6.02 -1.26 -4.87 117.38 117.07 2hgk n GLN 89 Ca 0.11 1.00 0.01 0.00 -0.01 0.00 0.00 57.00 58.10 2hgk n GLN 89 Cb 0.59 -5.19 -0.03 0.00 1.02 0.00 0.00 30.24 26.63 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 0.00 -0.24 -1.09 0.11 -1.96 -3.26 114.38 107.93 2hgk h ARG 90 Ca -0.33 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 59.68 2hgk h ARG 90 Cb 1.06 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.12 2hgk h ARG 90 CO 0.46 0.43 -0.17 0.00 0.10 0.00 0.00 179.97 180.79 2hgk h ALA 91 N 1.44 1.26 -0.88 0.08 0.00 -1.91 -1.04 119.26 118.21 2hgk h ALA 91 Ca -0.07 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 2hgk h ALA 91 Cb 1.49 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 19.12 2hgk h ALA 91 CO 0.06 0.49 0.46 -0.07 0.00 0.00 0.00 179.25 180.19 2hgk h LEU 92 N 0.38 1.11 -0.12 0.00 3.38 -1.97 0.17 115.31 118.26 2hgk h LEU 92 Ca 0.07 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 2hgk h LEU 92 Cb 0.53 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 2hgk h LEU 92 CO 0.03 0.90 -0.11 0.40 0.09 0.00 0.00 178.44 179.76 2hgk h ILE 93 N 1.23 1.35 -0.94 1.22 2.04 -1.55 -2.62 117.51 118.24 2hgk h ILE 93 Ca 0.31 -1.25 -0.01 0.00 1.00 0.00 0.00 64.86 64.91 2hgk h ILE 93 Cb 0.05 1.91 -0.05 0.00 -0.74 0.00 0.00 36.82 38.00 2hgk h ILE 93 CO -0.05 0.36 0.56 -0.07 0.00 0.00 0.00 178.15 178.95 2hgk h LEU 94 N -0.10 1.14 -0.68 1.44 3.38 -0.91 0.67 115.31 120.25 2hgk h LEU 94 Ca 0.02 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 2hgk h LEU 94 Cb 0.62 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 2hgk h LEU 94 CO 0.03 0.88 0.32 0.00 0.09 0.00 0.00 178.44 179.76 2hgk h ALA 95 N 1.31 0.88 -0.36 1.53 0.00 -0.68 0.86 119.26 122.81 2hgk h ALA 95 Ca 0.34 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 2hgk h ALA 95 Cb -0.04 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 2hgk h ALA 95 CO -0.06 0.46 -0.19 1.49 0.00 0.00 0.00 179.25 180.95 2hgk h GLU 96 N 0.95 0.68 -0.46 0.00 4.57 -1.00 -2.34 114.58 116.99 2hgk h GLU 96 Ca 0.23 -0.25 -0.06 0.00 -1.18 0.00 0.00 59.36 58.11 2hgk h GLU 96 Cb 0.14 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.67 2hgk h GLU 96 CO -0.03 0.82 0.07 -0.07 -1.18 0.00 0.00 179.01 178.62 2hgk h LEU 97 N 0.60 0.73 -1.47 1.64 3.38 -0.36 -0.63 115.31 119.21 2hgk h LEU 97 Ca 0.09 -0.27 0.08 0.00 0.09 0.00 0.00 57.88 57.88 2hgk h LEU 97 Cb 0.66 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 2hgk h LEU 97 CO 0.05 0.81 0.45 -0.33 0.09 0.00 0.00 178.44 179.51 2hgk h GLU 98 N 0.62 0.60 -0.29 1.13 4.39 -0.62 0.37 114.58 120.78 2hgk h GLU 98 Ca 0.14 -0.04 -0.15 0.00 0.34 0.00 0.00 59.36 59.65 2hgk h GLU 98 Cb 0.40 -0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 28.91 2hgk h GLU 98 CO 0.01 0.40 -0.39 -0.22 -1.16 0.00 0.00 179.01 177.65 2hgk h LYS 99 N 0.62 0.78 -0.01 2.33 3.64 -0.91 -2.39 116.57 120.64 2hgk h LYS 99 Ca 0.30 -0.45 -0.00 0.00 -1.27 0.00 0.00 60.65 59.23 2hgk h LYS 99 Cb 0.38 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.23 2hgk h LYS 99 CO -0.10 1.08 0.00 1.25 -2.27 0.00 0.00 179.45 179.41 2hgk h LEU 100 N 0.53 0.01 -1.38 5.20 5.85 -0.02 -2.78 115.31 122.73 2hgk h LEU 100 Ca 0.03 -0.27 0.11 0.00 0.84 0.00 0.00 57.88 58.60 2hgk h LEU 100 Cb 0.98 -0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.95 2hgk h LEU 100 CO 0.09 0.28 0.52 0.44 -0.34 0.00 0.00 178.44 179.43 2hgk h ASP 101 N -0.26 0.61 0.16 1.25 3.32 -0.36 0.57 116.42 121.71 2hgk h ASP 101 Ca 0.00 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.02 2hgk h ASP 101 Cb 0.27 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 2hgk h ASP 101 CO 0.00 0.34 -0.21 0.00 -1.72 0.00 0.00 179.24 177.66 2hgk h ALA 102 N 1.61 1.54 -0.07 3.45 0.00 -1.20 -2.15 119.26 122.44 2hgk h ALA 102 Ca 0.38 -0.22 -0.16 0.00 0.00 0.00 0.00 54.91 54.91 2hgk h ALA 102 Cb 0.57 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2hgk h ALA 102 CO -0.15 0.33 -0.65 -0.07 0.00 0.00 0.00 179.25 178.72 2hgk h LEU 103 N 0.09 0.31 0.00 0.00 3.38 -0.63 -2.22 115.31 116.25 2hgk h LEU 103 Ca 0.02 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.80 2hgk h LEU 103 Cb 0.43 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2hgk h LEU 103 CO 0.03 0.88 0.00 0.49 0.09 0.00 0.00 178.44 179.93 2hgk n PHE 104 N -3.85 0.00 0.81 1.13 3.72 -0.85 -1.62 117.46 116.81 2hgk n PHE 104 Ca -0.03 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.46 2hgk n PHE 104 Cb 0.65 -0.40 0.02 0.00 -0.94 0.00 0.00 39.48 38.80 2hgk n PHE 104 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2hgk n ALA 105 N -1.40 3.12 -0.09 4.37 0.00 -0.93 -4.25 120.51 121.33 2hgk n ALA 105 Ca 0.08 -0.59 -0.13 0.00 0.00 0.00 0.00 53.44 52.79 2hgk n ALA 105 Cb 0.22 -0.65 -0.05 0.00 0.00 0.00 0.00 19.45 18.97 2hgk n ALA 105 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2hgk n ASP 106 N 0.19 1.87 -4.55 0.00 -0.08 -0.64 -4.70 116.55 108.64 2hgk n ASP 106 Ca 0.08 0.49 -0.40 0.00 -1.51 0.00 0.00 54.79 53.46 2hgk n ASP 106 Cb 0.41 -0.86 -0.03 0.00 2.34 0.00 0.00 41.12 42.98 2hgk n ASP 106 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2hgk s ASP 107 N -6.26 5.83 0.07 1.67 -1.08 -0.99 -4.96 116.67 110.96 2hgk s ASP 107 Ca -0.24 -0.24 -0.18 0.00 -0.52 0.00 0.00 52.55 51.37 2hgk s ASP 107 Cb 0.05 -2.55 -0.07 0.00 -1.46 0.00 0.00 42.92 38.89 2hgk s ASP 107 CO 0.38 -2.04 0.54 0.00 0.52 0.00 0.00 175.17 174.58 2hgk s ALA 108 N 7.01 3.60 -0.04 3.66 0.00 -1.26 -4.55 121.76 130.18 2hgk s ALA 108 Ca 0.48 -0.02 -0.18 0.00 0.00 0.00 0.00 51.96 52.24 2hgk s ALA 108 Cb -0.09 -2.59 -0.05 0.00 0.00 0.00 0.00 23.12 20.39 2hgk s ALA 108 CO 0.15 0.42 0.49 -1.12 0.00 0.00 0.00 175.76 175.70 2hgk s SER 109 N -1.19 6.82 0.32 0.00 0.01 -1.24 -4.88 113.70 113.55 2hgk s SER 109 Ca 0.29 0.98 0.06 0.00 1.31 0.00 0.00 55.95 58.60 2hgk s SER 109 Cb -0.18 -2.30 0.56 0.00 0.21 0.00 0.00 66.02 64.31 2hgk s SER 109 CO 0.18 0.14 1.79 0.25 0.41 0.00 0.00 173.24 176.01 2hgk h LEU 110 N 5.70 0.32 -9.88 2.44 5.85 -1.97 -3.41 115.31 114.35 2hgk h LEU 110 Ca -0.46 -0.10 -0.57 0.00 0.84 0.00 0.00 57.88 57.60 2hgk h LEU 110 Cb 1.20 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 42.10 2hgk h LEU 110 CO 0.69 0.57 -0.18 -0.70 -0.34 0.00 0.00 178.44 178.48 2hgk s GLU 111 N -4.49 3.81 -0.13 1.25 2.56 -1.26 -5.08 118.70 115.36 2hgk s GLU 111 Ca -0.06 0.25 -0.04 0.00 0.00 0.00 0.00 54.97 55.12 2hgk s GLU 111 Cb 0.14 -2.88 -0.03 0.00 2.00 0.00 0.00 34.13 33.36 2hgk s GLU 111 CO 0.76 0.47 0.01 -1.01 -0.56 0.00 0.00 175.26 174.93 2hgk s HIS 112 N -1.55 3.15 -0.20 5.30 3.76 -1.26 -4.95 115.29 119.54 2hgk s HIS 112 Ca 0.39 0.03 0.19 0.00 -0.15 0.00 0.00 55.06 55.52 2hgk s HIS 112 Cb -0.13 -1.90 -0.02 0.00 1.11 0.00 0.00 32.58 31.63 2hgk s HIS 112 CO 0.20 0.26 1.04 0.45 -0.85 0.00 0.00 174.74 175.84 2hgk h HIS 113 N 5.93 0.00 -3.22 1.40 3.86 -1.85 -3.43 115.15 117.84 2hgk h HIS 113 Ca -0.42 0.00 -0.63 0.00 -1.16 0.00 0.00 60.37 58.16 2hgk h HIS 113 Cb 1.19 0.00 -0.34 0.00 1.06 0.00 0.00 27.41 29.31 2hgk h HIS 113 CO 0.59 0.28 -0.85 -1.01 0.86 0.00 0.00 177.93 177.80 2hgk s HIS 114 N -3.13 2.31 0.30 2.45 3.76 -1.26 -5.05 115.29 114.67 2hgk s HIS 114 Ca -0.00 -1.15 0.00 0.00 -0.15 0.00 0.00 55.06 53.76 2hgk s HIS 114 Cb 0.09 -1.62 0.51 0.00 1.11 0.00 0.00 32.58 32.66 2hgk s HIS 114 CO 0.79 -0.56 1.92 0.45 -0.85 0.00 0.00 174.74 176.48 2hgk h HIS 115 N 7.42 1.06 0.00 1.40 -0.00 -2.01 -3.39 115.15 119.64 2hgk h HIS 115 Ca -0.32 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.07 2hgk h HIS 115 Cb 1.18 -0.35 0.00 0.00 -0.00 0.00 0.00 27.41 28.24 2hgk h HIS 115 CO 0.47 0.57 0.00 0.72 -0.00 0.00 0.00 177.93 179.69 2hgk n HIS 116 N -4.48 0.00 -1.54 2.45 8.25 -1.26 -4.99 115.22 113.66 2hgk n HIS 116 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 2hgk n HIS 116 Cb 0.18 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.29 2hgk n HIS 116 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70