#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 0.00 0.26 1.12 -4.23 -1.26 -4.97 115.64 106.56 2hgk s THR 2 Ca 0.00 -1.72 -0.02 0.00 -1.18 0.00 0.00 61.69 58.77 2hgk s THR 2 Cb 0.00 -2.59 0.12 0.00 1.34 0.00 0.00 72.50 71.38 2hgk s THR 2 CO 0.00 0.00 1.77 0.74 -0.54 0.00 0.00 174.62 176.59 2hgk h THR 3 N 2.14 1.24 -0.35 3.99 2.02 -1.94 -0.86 112.91 119.16 2hgk h THR 3 Ca -0.28 -0.96 -0.14 0.00 0.77 0.00 0.00 66.41 65.80 2hgk h THR 3 Cb 1.24 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 68.47 2hgk h THR 3 CO 0.39 0.34 -0.36 0.45 0.37 0.00 0.00 175.52 176.71 2hgk h HIS 4 N 0.76 0.95 -0.81 3.16 -0.00 -1.92 -3.08 115.15 114.21 2hgk h HIS 4 Ca 0.15 -0.27 -0.01 0.00 -0.00 0.00 0.00 60.37 60.24 2hgk h HIS 4 Cb 0.42 -0.21 -0.04 0.00 -0.00 0.00 0.00 27.41 27.58 2hgk h HIS 4 CO 0.02 1.04 0.46 0.22 -0.00 0.00 0.00 177.93 179.67 2hgk h ASP 5 N 0.67 1.00 -0.28 2.45 3.58 -1.79 0.34 116.42 122.38 2hgk h ASP 5 Ca 0.06 -0.08 0.03 0.00 0.42 0.00 0.00 57.03 57.47 2hgk h ASP 5 Cb 0.91 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 41.68 2hgk h ASP 5 CO 0.08 0.79 0.09 0.03 -2.88 0.00 0.00 179.24 177.36 2hgk h ARG 6 N 1.13 0.21 -0.28 0.28 3.08 -1.09 0.29 114.38 118.00 2hgk h ARG 6 Ca 0.29 -0.01 -0.10 0.00 0.07 0.00 0.00 59.98 60.23 2hgk h ARG 6 Cb 0.00 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 2hgk h ARG 6 CO -0.05 0.14 -0.23 0.28 -1.07 0.00 0.00 179.97 179.03 2hgk h VAL 7 N 0.21 1.26 -0.40 2.04 2.07 -1.45 -1.33 116.25 118.66 2hgk h VAL 7 Ca 0.12 -1.26 -0.03 0.00 0.82 0.00 0.00 66.70 66.36 2hgk h VAL 7 Cb 0.10 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 2hgk h VAL 7 CO -0.13 0.40 0.14 -0.09 0.02 0.00 0.00 177.57 177.91 2hgk h ARG 8 N 0.47 0.61 -0.42 1.57 2.43 -0.03 0.15 114.38 119.16 2hgk h ARG 8 Ca 0.07 -0.12 -0.05 0.00 -0.81 0.00 0.00 59.98 59.06 2hgk h ARG 8 Cb 0.66 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.10 2hgk h ARG 8 CO 0.05 0.60 0.04 -0.07 -1.51 0.00 0.00 179.97 179.08 2hgk h LEU 9 N 0.50 0.61 -0.64 3.80 3.38 -0.29 -1.16 115.31 121.51 2hgk h LEU 9 Ca 0.13 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 2hgk h LEU 9 Cb 0.23 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 2hgk h LEU 9 CO -0.01 0.65 -0.04 -0.61 0.09 0.00 0.00 178.44 178.52 2hgk h GLN 10 N 0.63 1.02 -0.55 1.13 5.75 -0.54 0.11 115.11 122.66 2hgk h GLN 10 Ca 0.13 -0.34 -0.06 0.00 -0.15 0.00 0.00 58.65 58.24 2hgk h GLN 10 Cb 0.33 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.77 2hgk h GLN 10 CO 0.01 1.03 0.11 -0.07 -2.65 0.00 0.00 178.83 177.25 2hgk h LEU 11 N 0.93 0.81 -0.46 -2.39 3.38 -0.26 0.31 115.31 117.63 2hgk h LEU 11 Ca 0.16 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 2hgk h LEU 11 Cb 0.59 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 2hgk h LEU 11 CO 0.04 0.81 0.11 1.56 0.09 0.00 0.00 178.44 181.05 2hgk h GLN 12 N 0.83 0.74 -0.60 1.13 4.20 -0.67 0.32 115.11 121.05 2hgk h GLN 12 Ca 0.18 -0.18 -0.06 0.00 0.06 0.00 0.00 58.65 58.64 2hgk h GLN 12 Cb 0.34 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.99 2hgk h GLN 12 CO 0.00 0.73 0.11 0.00 -0.67 0.00 0.00 178.83 179.01 2hgk h ALA 13 N 0.97 1.07 -0.31 3.87 0.00 -0.35 0.18 119.26 124.70 2hgk h ALA 13 Ca 0.14 -0.24 -0.15 0.00 0.00 0.00 0.00 54.91 54.67 2hgk h ALA 13 Cb 0.33 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2hgk h ALA 13 CO 0.00 0.61 -0.37 1.25 0.00 0.00 0.00 179.25 180.73 2hgk h LEU 14 N 0.91 0.86 -0.51 0.00 5.85 -0.16 0.30 115.31 122.55 2hgk h LEU 14 Ca 0.19 -0.49 -0.00 0.00 0.84 0.00 0.00 57.88 58.42 2hgk h LEU 14 Cb 0.37 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 2hgk h LEU 14 CO 0.01 1.18 0.32 -0.08 -0.34 0.00 0.00 178.44 179.52 2hgk h GLU 15 N 0.57 0.69 -0.83 1.25 4.81 -0.15 -0.74 114.58 120.19 2hgk h GLU 15 Ca 0.04 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 2hgk h GLU 15 Cb 0.96 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 30.16 2hgk h GLU 15 CO 0.09 0.49 0.44 0.00 -0.73 0.00 0.00 179.01 179.30 2hgk h ALA 16 N 1.16 1.06 -0.53 2.92 0.00 -0.46 -0.62 119.26 122.79 2hgk h ALA 16 Ca 0.18 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.00 2hgk h ALA 16 Cb -0.03 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.39 2hgk h ALA 16 CO -0.04 0.59 0.28 1.25 0.00 0.00 0.00 179.25 181.33 2hgk h LEU 17 N 1.16 0.41 -1.05 0.00 6.46 0.15 0.61 115.31 123.05 2hgk h LEU 17 Ca 0.29 0.03 -0.05 0.00 -0.12 0.00 0.00 57.88 58.03 2hgk h LEU 17 Cb 0.06 -0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 39.91 2hgk h LEU 17 CO -0.04 0.28 0.17 -0.07 -0.62 0.00 0.00 178.44 178.15 2hgk h LEU 18 N 0.54 0.79 0.08 2.25 3.38 -0.65 0.42 115.31 122.11 2hgk h LEU 18 Ca 0.23 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 2hgk h LEU 18 Cb 0.12 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.67 2hgk h LEU 18 CO -0.15 0.75 -0.04 0.03 0.09 0.00 0.00 178.44 179.12 2hgk h ARG 19 N 0.83 -0.10 -0.85 1.13 3.08 0.06 0.51 114.38 119.03 2hgk h ARG 19 Ca 0.19 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.25 2hgk h ARG 19 Cb 0.26 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.28 2hgk h ARG 19 CO -0.01 0.23 0.56 0.93 -1.07 0.00 0.00 179.97 180.62 2hgk h GLU 20 N -0.44 1.11 -0.74 0.04 5.08 0.39 -1.26 114.58 118.75 2hgk h GLU 20 Ca -0.01 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.22 2hgk h GLU 20 Cb 0.38 -0.25 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 2hgk h GLU 20 CO 0.02 0.73 0.08 0.72 -1.00 0.00 0.00 179.01 179.56 2hgk n HIS 21 N -4.41 1.68 -1.22 4.33 8.25 0.12 -4.90 115.22 119.07 2hgk n HIS 21 Ca 0.10 -0.70 -0.08 0.00 -0.26 0.00 0.00 57.72 56.78 2hgk n HIS 21 Cb 0.03 -0.47 -0.03 0.00 1.12 0.00 0.00 29.99 30.64 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 0.26 -1.77 0.20 -0.41 6.02 -0.48 -4.78 117.38 116.42 2hgk n GLN 22 Ca 0.25 0.76 0.09 0.00 -0.01 0.00 0.00 57.00 58.09 2hgk n GLN 22 Cb 1.03 -5.20 0.21 0.00 1.02 0.00 0.00 30.24 27.30 2hgk n GLN 22 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2hgk h HIS 23 N 0.00 0.00 0.00 1.08 3.86 -0.27 -2.85 115.15 116.97 2hgk h HIS 23 Ca -0.15 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.06 2hgk h HIS 23 Cb 1.12 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.59 2hgk h HIS 23 CO 0.61 0.18 0.00 1.87 0.86 0.00 0.00 177.93 181.45 2hgk n TRP 24 N -3.17 0.41 -0.35 2.45 -0.00 -0.35 -1.84 117.44 114.59 2hgk n TRP 24 Ca 0.03 0.14 0.11 0.00 -0.00 0.00 0.00 57.50 57.78 2hgk n TRP 24 Cb 0.56 -0.73 0.33 0.00 -0.00 0.00 0.00 31.31 31.47 2hgk n TRP 24 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 177.69 178.23 2hgk n ARG 25 N -1.86 2.81 -3.87 5.87 1.74 -1.08 -4.56 116.66 115.72 2hgk n ARG 25 Ca 0.05 -2.65 -0.29 0.00 -0.77 0.00 0.00 57.85 54.18 2hgk n ARG 25 Cb 0.30 -1.61 -0.13 0.00 -1.02 0.00 0.00 32.46 30.00 2hgk n ARG 25 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2hgk s ASN 26 N -0.99 4.17 -0.15 0.55 2.47 -0.77 -5.08 114.94 115.16 2hgk s ASN 26 Ca 0.49 -3.07 -0.10 0.00 0.42 0.00 0.00 52.86 50.61 2hgk s ASN 26 Cb 0.26 -1.47 0.05 0.00 -1.45 0.00 0.00 41.25 38.64 2hgk s ASN 26 CO 0.32 -0.21 0.37 -0.62 -3.72 0.00 0.00 177.10 173.23 2hgk s ASP 27 N -0.33 -0.43 -0.33 -4.21 2.15 -1.26 -4.97 116.67 107.29 2hgk s ASP 27 Ca 0.19 0.77 -0.03 0.00 0.43 0.00 0.00 52.55 53.91 2hgk s ASP 27 Cb -0.21 0.70 0.19 0.00 -0.30 0.00 0.00 42.92 43.30 2hgk s ASP 27 CO -0.03 -0.16 0.87 -0.70 -0.17 0.00 0.00 175.17 174.97 2hgk s GLU 28 N 0.93 0.38 -0.23 4.34 2.12 -1.26 -5.13 118.70 119.86 2hgk s GLU 28 Ca -0.06 0.06 -0.29 0.00 0.36 0.00 0.00 54.97 55.04 2hgk s GLU 28 Cb -0.07 0.09 -0.02 0.00 0.26 0.00 0.00 34.13 34.40 2hgk s GLU 28 CO -0.07 -0.62 1.48 -1.25 -0.54 0.00 0.00 175.26 174.26 2hgk s PRO 29 N 2.37 3.90 0.00 4.30 0.04 -1.26 -5.02 135.00 139.33 2hgk s PRO 29 Ca 0.18 1.55 0.03 0.00 0.04 0.00 0.00 61.00 62.80 2hgk s PRO 29 Cb -0.02 -3.96 -0.03 0.00 0.04 0.00 0.00 34.50 30.53 2hgk s PRO 29 CO -0.17 -1.16 -0.07 -0.65 0.04 0.00 0.00 177.00 174.99 2hgk s GLN 30 N 4.36 2.55 0.36 4.56 -0.21 -1.26 -5.02 119.66 125.01 2hgk s GLN 30 Ca 0.65 -0.72 0.08 0.00 0.02 0.00 0.00 55.36 55.38 2hgk s GLN 30 Cb -0.22 -2.50 0.79 0.00 1.00 0.00 0.00 33.01 32.08 2hgk s GLN 30 CO 0.26 0.60 1.92 -1.35 -2.12 0.00 0.00 175.29 174.60 2hgk h PRO 31 N 4.57 0.69 -0.43 2.91 0.11 -2.01 -1.87 132.00 135.96 2hgk h PRO 31 Ca -0.48 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.57 2hgk h PRO 31 Cb 1.17 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.10 2hgk h PRO 31 CO 0.53 0.46 0.19 1.25 -0.21 0.00 0.00 178.00 180.23 2hgk h HIS 32 N 0.72 0.60 0.18 0.65 2.76 -2.00 -3.08 115.15 114.97 2hgk h HIS 32 Ca 0.37 -0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.51 2hgk h HIS 32 Cb 0.47 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 29.24 2hgk h HIS 32 CO -0.00 0.46 -0.08 1.96 -1.30 0.00 0.00 177.93 178.96 2hgk h GLN 33 N 0.61 -0.23 0.00 5.26 4.20 -1.75 -2.82 115.11 120.37 2hgk h GLN 33 Ca 0.15 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.88 2hgk h GLN 33 Cb 0.09 0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.93 2hgk h GLN 33 CO -0.02 -0.05 0.00 1.19 -0.67 0.00 0.00 178.83 179.28 2hgk n PHE 34 N -5.14 0.00 0.22 2.96 3.72 -1.17 -1.98 117.46 116.07 2hgk n PHE 34 Ca -0.09 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.43 2hgk n PHE 34 Cb 0.16 -0.49 0.24 0.00 -0.94 0.00 0.00 39.48 38.45 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 -0.35 4.37 2.35 -1.43 -2.82 115.58 117.70 2hgk h ASN 35 Ca 0.00 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.69 2hgk h ASN 35 Cb 0.33 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.69 2hgk h ASN 35 CO 0.00 0.08 -0.02 0.28 -1.65 0.00 0.00 177.43 176.12 2hgk h SER 36 N 0.00 0.62 -0.34 5.81 0.02 -1.46 -3.46 113.55 114.74 2hgk h SER 36 Ca -0.00 -0.32 -0.15 0.00 -0.84 0.00 0.00 61.79 60.48 2hgk h SER 36 Cb 0.97 -0.17 -0.06 0.00 0.14 0.00 0.00 62.40 63.29 2hgk h SER 36 CO 0.01 0.79 -0.13 0.41 -1.14 0.00 0.00 176.83 176.77 2hgk n THR 37 N -4.49 0.00 -3.38 -2.27 -1.04 -1.07 -4.94 114.28 97.10 2hgk n THR 37 Ca -0.02 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.61 2hgk n THR 37 Cb 0.29 -1.31 -0.06 0.00 -1.82 0.00 0.00 70.33 67.43 2hgk n THR 37 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 2hgk s GLN 38 N -2.56 4.07 0.31 -2.82 0.74 -1.26 -5.02 119.66 113.12 2hgk s GLN 38 Ca 0.00 0.59 -0.28 0.00 0.05 0.00 0.00 55.36 55.72 2hgk s GLN 38 Cb 0.00 -3.23 -0.13 0.00 1.10 0.00 0.00 33.01 30.74 2hgk s GLN 38 CO 0.00 0.66 1.12 -2.30 -0.55 0.00 0.00 175.29 174.22 2hgk n PRO 39 N 1.77 1.65 0.00 1.67 -0.02 -1.26 -1.48 135.00 137.33 2hgk n PRO 39 Ca -0.12 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 2hgk n PRO 39 Cb 0.51 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 2hgk n PRO 39 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2hgk n PHE 40 N 0.29 0.00 -3.13 6.00 3.72 -1.26 -4.13 117.46 118.95 2hgk n PHE 40 Ca 0.08 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.32 2hgk n PHE 40 Cb 0.33 -0.26 0.02 0.00 -0.94 0.00 0.00 39.48 38.63 2hgk n PHE 40 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 2hgk n PHE 41 N -1.85 -3.10 0.66 1.38 3.72 -0.55 -3.91 117.46 113.81 2hgk n PHE 41 Ca 0.00 1.25 0.12 0.00 -0.05 0.00 0.00 57.45 58.77 2hgk n PHE 41 Cb 0.00 -3.41 0.11 0.00 -0.94 0.00 0.00 39.48 35.24 2hgk n PHE 41 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 2hgk n MET 42 N -0.69 0.23 0.00 -1.08 2.81 -1.26 -3.91 117.12 113.21 2hgk n MET 42 Ca 0.01 0.03 0.04 0.00 -1.81 0.00 0.00 57.70 55.97 2hgk n MET 42 Cb 0.54 -1.60 0.01 0.00 -0.71 0.00 0.00 33.22 31.46 2hgk n MET 42 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 2hgk n ASP 43 N -1.91 1.30 0.00 7.83 5.75 -1.26 -4.84 116.55 123.42 2hgk n ASP 43 Ca 0.03 -1.15 0.00 0.00 -0.01 0.00 0.00 54.79 53.66 2hgk n ASP 43 Cb 0.42 0.31 0.00 0.00 -1.03 0.00 0.00 41.12 40.81 2hgk n ASP 43 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2hgk n THR 44 N -0.03 0.00 0.00 2.12 -2.24 -1.26 -5.05 114.28 107.82 2hgk n THR 44 Ca 0.04 0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 2hgk n THR 44 Cb 0.19 -0.45 0.00 0.00 -2.10 0.00 0.00 70.33 67.97 2hgk n THR 44 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 2hgk n MET 45 N -0.96 0.00 -4.40 -0.78 2.81 -1.26 -5.13 117.12 107.41 2hgk n MET 45 Ca 0.00 0.00 -0.28 0.00 -1.81 0.00 0.00 57.70 55.61 2hgk n MET 45 Cb 0.00 0.00 -0.12 0.00 -0.71 0.00 0.00 33.22 32.39 2hgk n MET 45 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 2hgk s GLU 46 N 0.00 1.43 0.00 0.03 8.01 -1.26 -5.00 118.70 121.91 2hgk s GLU 46 Ca 0.00 -1.42 0.04 0.00 0.01 0.00 0.00 54.97 53.61 2hgk s GLU 46 Cb 0.00 -1.82 0.19 0.00 -4.31 0.00 0.00 34.13 28.19 2hgk s GLU 46 CO 0.00 0.41 1.08 -2.30 0.01 0.00 0.00 175.26 174.47 2hgk n PRO 47 N 0.62 0.02 0.12 0.39 -0.02 -1.25 -0.83 135.00 134.05 2hgk n PRO 47 Ca -0.16 0.37 0.13 0.00 -2.02 0.00 0.00 63.50 61.82 2hgk n PRO 47 Cb 0.54 -1.50 0.42 0.00 -0.02 0.00 0.00 33.50 32.94 2hgk n PRO 47 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2hgk h LEU 48 N 0.00 0.00 -0.77 2.45 3.38 -1.88 -3.28 115.31 115.21 2hgk h LEU 48 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 2hgk h LEU 48 Cb 0.06 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 2hgk h LEU 48 CO 0.00 0.00 0.51 -0.08 0.09 0.00 0.00 178.44 178.96 2hgk h GLU 49 N 0.00 1.00 -0.84 1.13 4.81 -1.21 0.25 114.58 119.72 2hgk h GLU 49 Ca 0.00 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2hgk h GLU 49 Cb 0.66 -0.23 -0.04 0.00 0.63 0.00 0.00 28.75 29.78 2hgk h GLU 49 CO 0.00 0.66 0.54 2.35 -0.73 0.00 0.00 179.01 181.83 2hgk h TRP 50 N 1.03 1.08 -0.39 0.92 7.01 -1.68 -2.46 115.95 121.47 2hgk h TRP 50 Ca 0.29 0.01 -0.15 0.00 2.11 0.00 0.00 58.89 61.15 2hgk h TRP 50 Cb -0.10 -0.36 -0.01 0.00 -2.10 0.00 0.00 29.16 26.59 2hgk h TRP 50 CO -0.02 0.70 -0.35 1.25 -2.79 0.00 0.00 178.44 177.23 2hgk h LEU 51 N 1.15 0.95 0.44 0.65 5.85 -1.47 0.38 115.31 123.25 2hgk h LEU 51 Ca 0.31 -0.42 -0.02 0.00 0.84 0.00 0.00 57.88 58.59 2hgk h LEU 51 Cb -0.10 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 40.67 2hgk h LEU 51 CO -0.06 1.20 -0.21 -0.61 -0.34 0.00 0.00 178.44 178.41 2hgk h GLN 52 N 0.74 -0.57 0.00 1.25 5.75 -0.12 -3.36 115.11 118.80 2hgk h GLN 52 Ca 0.07 0.04 -0.13 0.00 -0.15 0.00 0.00 58.65 58.48 2hgk h GLN 52 Cb 0.93 0.13 -0.03 0.00 1.07 0.00 0.00 27.48 29.58 2hgk h GLN 52 CO 0.09 -0.35 -1.66 1.87 -2.65 0.00 0.00 178.83 176.13 2hgk n TRP 53 N -5.32 0.00 -0.05 3.99 -0.00 -0.97 -4.88 117.44 110.21 2hgk n TRP 53 Ca -0.11 0.00 -0.06 0.00 -0.00 0.00 0.00 57.50 57.33 2hgk n TRP 53 Cb 0.26 -0.44 -0.02 0.00 -0.00 0.00 0.00 31.31 31.12 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 -2.24 1.01 -0.00 5.87 0.31 -0.58 -4.61 118.33 118.09 2hgk n VAL 54 Ca -0.12 0.26 -0.14 0.00 -0.01 0.00 0.00 64.34 64.32 2hgk n VAL 54 Cb 0.67 -2.02 -0.08 0.00 -0.91 0.00 0.00 33.84 31.50 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 -0.63 -1.55 0.56 7.52 5.85 -0.45 -0.20 115.31 126.42 2hgk h LEU 55 Ca 0.00 0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 2hgk h LEU 55 Cb 0.63 0.61 -0.01 0.00 0.37 0.00 0.00 40.66 42.26 2hgk h LEU 55 CO 0.00 -0.46 -0.45 0.40 -0.34 0.00 0.00 178.44 177.59 2hgk h ILE 56 N -0.55 0.00 0.00 4.05 2.04 -1.83 0.06 117.51 121.28 2hgk h ILE 56 Ca 0.05 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.86 2hgk h ILE 56 Cb 0.66 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 2hgk h ILE 56 CO -0.42 0.00 -0.27 1.55 0.00 0.00 0.00 178.15 179.01 2hgk h PRO 57 N -0.98 0.00 -0.28 2.37 0.13 -1.80 -2.33 132.00 129.12 2hgk h PRO 57 Ca -0.07 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.89 2hgk h PRO 57 Cb 0.82 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.94 2hgk h PRO 57 CO 0.01 0.27 -0.49 -0.09 -0.23 0.00 0.00 178.00 177.47 2hgk h ARG 58 N 0.00 0.76 0.00 0.86 2.43 -0.76 -2.38 114.38 115.29 2hgk h ARG 58 Ca -0.00 -0.45 -0.05 0.00 -0.81 0.00 0.00 59.98 58.67 2hgk h ARG 58 Cb 0.48 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 2hgk h ARG 58 CO 0.04 1.08 -0.22 0.52 -1.51 0.00 0.00 179.97 179.87 2hgk h MET 59 N 0.60 0.00 -0.90 0.20 2.86 -0.75 -2.19 114.93 114.76 2hgk h MET 59 Ca 0.03 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.65 2hgk h MET 59 Cb 1.06 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.68 2hgk h MET 59 CO 0.11 0.22 0.49 0.45 1.06 0.00 0.00 176.91 179.23 2hgk h HIS 60 N 0.00 1.23 0.24 -0.22 3.86 -0.91 0.15 115.15 119.50 2hgk h HIS 60 Ca -0.00 -0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.16 2hgk h HIS 60 Cb 0.70 -0.39 0.00 0.00 1.06 0.00 0.00 27.41 28.78 2hgk h HIS 60 CO 0.00 0.85 -0.12 -0.44 0.86 0.00 0.00 177.93 179.09 2hgk h ASP 61 N 1.25 -0.28 -0.48 2.45 3.32 -1.13 -0.63 116.42 120.93 2hgk h ASP 61 Ca 0.31 0.01 0.08 0.00 0.02 0.00 0.00 57.03 57.46 2hgk h ASP 61 Cb 0.03 0.07 -0.07 0.00 0.22 0.00 0.00 39.33 39.59 2hgk h ASP 61 CO -0.05 -0.20 0.09 0.25 -1.72 0.00 0.00 179.24 177.62 2hgk h LEU 62 N -0.32 -0.01 0.05 1.55 6.46 -1.08 0.14 115.31 122.10 2hgk h LEU 62 Ca -0.03 0.09 -0.00 0.00 -0.12 0.00 0.00 57.88 57.81 2hgk h LEU 62 Cb 0.25 0.12 0.00 0.00 -0.73 0.00 0.00 40.66 40.30 2hgk h LEU 62 CO 0.05 0.02 -0.02 -0.07 -0.62 0.00 0.00 178.44 177.80 2hgk h LEU 63 N 0.22 -0.06 -1.00 2.25 3.38 -0.58 -0.83 115.31 118.70 2hgk h LEU 63 Ca 0.24 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 2hgk h LEU 63 Cb 0.32 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 2hgk h LEU 63 CO -0.32 0.26 -0.07 0.44 0.09 0.00 0.00 178.44 178.83 2hgk h ASP 64 N -0.38 0.00 0.34 -0.43 5.19 -0.89 0.07 116.42 120.32 2hgk h ASP 64 Ca -0.01 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 2hgk h ASP 64 Cb 0.34 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.85 2hgk h ASP 64 CO 0.01 0.07 -0.01 0.59 -3.12 0.00 0.00 179.24 176.78 2hgk n ASN 65 N -3.16 0.08 -2.48 6.45 3.02 0.45 -4.90 115.26 114.72 2hgk n ASN 65 Ca 0.01 -0.51 -0.21 0.00 -0.03 0.00 0.00 54.58 53.84 2hgk n ASN 65 Cb 0.40 -0.16 0.00 0.00 -0.61 0.00 0.00 39.78 39.41 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 -1.12 -2.34 -2.03 3.52 5.02 0.01 -4.97 118.16 116.25 2hgk n LYS 66 Ca 0.18 0.98 -0.34 0.00 -2.02 0.00 0.00 58.31 57.10 2hgk n LYS 66 Cb 0.20 -5.66 0.02 0.00 -0.02 0.00 0.00 35.03 29.57 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 -5.17 3.12 0.51 1.97 -1.52 -0.34 -4.99 119.66 113.24 2hgk s GLN 67 Ca 0.06 1.48 -0.23 0.00 -1.95 0.00 0.00 55.36 54.72 2hgk s GLN 67 Cb -0.03 -1.99 -0.06 0.00 -0.22 0.00 0.00 33.01 30.71 2hgk s GLN 67 CO 0.08 -1.01 1.38 -1.25 -0.25 0.00 0.00 175.29 174.24 2hgk s PRO 68 N -3.69 3.35 -0.12 2.91 0.04 -1.26 -4.80 135.00 131.43 2hgk s PRO 68 Ca 0.69 2.30 -0.24 0.00 0.04 0.00 0.00 61.00 63.80 2hgk s PRO 68 Cb -0.22 -2.41 -0.03 0.00 0.04 0.00 0.00 34.50 31.89 2hgk s PRO 68 CO 0.34 -1.05 0.74 -0.51 0.04 0.00 0.00 177.00 176.56 2hgk s LEU 69 N -3.22 4.24 -0.36 -3.56 1.43 -1.26 -4.98 118.68 110.98 2hgk s LEU 69 Ca 0.68 1.14 -0.28 0.00 -1.03 0.00 0.00 54.13 54.63 2hgk s LEU 69 Cb -0.42 -3.11 -0.07 0.00 0.03 0.00 0.00 46.19 42.62 2hgk s LEU 69 CO 0.51 -0.24 2.31 -2.65 0.23 0.00 0.00 176.35 176.52 2hgk n PRO 70 N 4.45 1.48 -0.09 1.29 -0.02 -1.26 -4.82 135.00 136.03 2hgk n PRO 70 Ca 0.01 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 2hgk n PRO 70 Cb 0.50 -3.23 0.00 0.00 -0.02 0.00 0.00 33.50 30.76 2hgk n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2hgk n GLY 71 N 5.95 1.97 0.48 -1.23 0.00 -1.25 -2.28 105.19 108.82 2hgk n GLY 71 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.37 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 0.72 1.96 -2.60 4.61 0.00 -1.26 -4.61 120.51 119.33 2hgk n ALA 72 Ca 0.00 -0.45 -0.42 0.00 0.00 0.00 0.00 53.44 52.57 2hgk n ALA 72 Cb 0.47 -0.22 -0.05 0.00 0.00 0.00 0.00 19.45 19.65 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 0.00 3.16 -0.25 0.00 5.36 -0.97 -5.00 117.98 120.28 2hgk s PHE 73 Ca 0.00 0.64 -0.02 0.00 -0.96 0.00 0.00 56.93 56.59 2hgk s PHE 73 Cb 0.00 -3.28 0.12 0.00 -0.34 0.00 0.00 43.02 39.52 2hgk s PHE 73 CO 0.00 -0.64 0.27 0.00 -1.46 0.00 0.00 175.22 173.39 2hgk s ALA 74 N 2.97 -0.40 -0.14 11.12 0.00 -1.26 -4.43 121.76 129.62 2hgk s ALA 74 Ca 0.31 -0.03 0.20 0.00 0.00 0.00 0.00 51.96 52.44 2hgk s ALA 74 Cb -0.14 -1.60 -0.16 0.00 0.00 0.00 0.00 23.12 21.22 2hgk s ALA 74 CO 0.15 -1.48 0.71 1.33 0.00 0.00 0.00 175.76 176.46 2hgk n VAL 75 N 5.32 0.75 0.00 0.00 0.24 -1.26 -4.36 118.33 119.01 2hgk n VAL 75 Ca -0.04 -0.62 -0.09 0.00 -2.04 0.00 0.00 64.34 61.55 2hgk n VAL 75 Cb 0.48 -0.40 -0.03 0.00 -1.47 0.00 0.00 33.84 32.41 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 1.69 -0.07 -0.14 2.33 0.00 -1.90 0.17 119.26 121.34 2hgk h ALA 76 Ca -0.12 0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.88 2hgk h ALA 76 Cb 1.35 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.42 2hgk h ALA 76 CO 0.02 -0.60 0.13 -1.00 0.00 0.00 0.00 179.25 177.80 2hgk h PRO 77 N -0.18 0.00 0.01 0.00 0.13 -1.98 0.22 132.00 130.20 2hgk h PRO 77 Ca 0.09 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.19 2hgk h PRO 77 Cb 0.31 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.44 2hgk h PRO 77 CO -0.23 0.00 -0.16 -0.92 -0.23 0.00 0.00 178.00 176.46 2hgk h TYR 78 N 0.00 0.04 0.00 1.56 3.20 -1.49 -3.29 116.97 116.99 2hgk h TYR 78 Ca 0.06 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2hgk h TYR 78 Cb 0.32 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.58 2hgk h TYR 78 CO 0.00 1.06 0.00 1.88 -1.64 0.00 0.00 178.16 179.46 2hgk h TYR 79 N -0.95 0.00 -0.40 -3.82 0.05 -0.30 0.19 116.97 111.74 2hgk h TYR 79 Ca -0.04 0.00 0.12 0.00 0.05 0.00 0.00 58.73 58.86 2hgk h TYR 79 Cb 1.07 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.80 2hgk h TYR 79 CO 0.26 0.00 0.29 1.49 -1.05 0.00 0.00 178.16 179.15 2hgk h GLU 80 N 0.00 0.01 0.00 4.88 4.57 -0.64 0.49 114.58 123.89 2hgk h GLU 80 Ca 0.00 -0.00 -0.27 0.00 -1.18 0.00 0.00 59.36 57.91 2hgk h GLU 80 Cb 0.33 -0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.87 2hgk h GLU 80 CO 0.00 0.00 -2.02 -1.33 -1.18 0.00 0.00 179.01 174.49 2hgk n MET 81 N -4.42 1.07 0.17 1.92 2.81 0.13 -4.62 117.12 114.19 2hgk n MET 81 Ca 0.07 0.05 0.05 0.00 -1.81 0.00 0.00 57.70 56.06 2hgk n MET 81 Cb 0.48 -1.37 0.18 0.00 -0.71 0.00 0.00 33.22 31.80 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 0.36 0.82 -3.19 3.04 0.00 -0.59 -3.43 119.26 116.27 2hgk h ALA 82 Ca -0.40 -0.35 -0.62 0.00 0.00 0.00 0.00 54.91 53.54 2hgk h ALA 82 Cb 1.77 -0.06 -0.17 0.00 0.00 0.00 0.00 17.79 19.32 2hgk h ALA 82 CO -0.02 0.48 -0.57 -1.17 0.00 0.00 0.00 179.25 177.97 2hgk s LEU 83 N -6.60 3.77 0.07 0.00 2.96 0.15 -4.75 118.68 114.28 2hgk s LEU 83 Ca 0.03 0.02 -0.35 0.00 -0.22 0.00 0.00 54.13 53.62 2hgk s LEU 83 Cb 0.08 -1.97 -0.14 0.00 0.50 0.00 0.00 46.19 44.66 2hgk s LEU 83 CO 0.71 0.12 1.63 0.00 -1.32 0.00 0.00 176.35 177.48 2hgk n ALA 84 N 3.92 0.85 0.01 5.97 0.00 -1.26 -4.83 120.51 125.18 2hgk n ALA 84 Ca -0.16 0.41 -0.04 0.00 0.00 0.00 0.00 53.44 53.65 2hgk n ALA 84 Cb 0.52 -2.34 0.18 0.00 0.00 0.00 0.00 19.45 17.81 2hgk n ALA 84 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2hgk h THR 85 N 4.12 1.27 0.00 0.00 2.02 -1.92 -2.41 112.91 115.99 2hgk h THR 85 Ca -0.46 -1.33 0.00 0.00 0.77 0.00 0.00 66.41 65.39 2hgk h THR 85 Cb 1.27 1.38 0.00 0.00 -1.74 0.00 0.00 68.15 69.06 2hgk h THR 85 CO 0.89 0.42 0.00 -2.24 0.37 0.00 0.00 175.52 174.96 2hgk h ASP 86 N 0.44 0.00 -3.07 4.18 2.03 -2.03 -3.44 116.42 114.53 2hgk h ASP 86 Ca 0.06 0.00 -0.55 0.00 -0.73 0.00 0.00 57.03 55.81 2hgk h ASP 86 Cb 0.71 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.19 2hgk h ASP 86 CO 0.05 0.00 0.71 -2.28 -1.03 0.00 0.00 179.24 176.69 2hgk s HIS 87 N -3.37 3.16 0.82 4.15 2.46 -0.91 -5.00 115.29 116.61 2hgk s HIS 87 Ca 0.05 1.18 -0.12 0.00 0.47 0.00 0.00 55.06 56.64 2hgk s HIS 87 Cb 0.09 -3.44 0.09 0.00 -0.13 0.00 0.00 32.58 29.19 2hgk s HIS 87 CO 0.53 -1.41 1.15 -1.25 -2.47 0.00 0.00 174.74 171.29 2hgk s PRO 88 N 2.22 1.67 -0.39 2.88 0.04 -1.26 -3.23 135.00 136.93 2hgk s PRO 88 Ca 0.57 1.53 0.00 0.00 0.04 0.00 0.00 61.00 63.14 2hgk s PRO 88 Cb -0.25 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.49 2hgk s PRO 88 CO 0.22 -2.14 0.00 1.04 0.04 0.00 0.00 177.00 176.16 2hgk n GLN 89 N -3.56 -1.27 -0.20 4.56 6.02 -1.26 -4.85 117.38 116.81 2hgk n GLN 89 Ca 0.12 0.51 -0.09 0.00 -0.01 0.00 0.00 57.00 57.53 2hgk n GLN 89 Cb 0.52 -4.56 0.02 0.00 1.02 0.00 0.00 30.24 27.24 2hgk n GLN 89 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 2hgk h ARG 90 N 0.24 0.93 -0.05 -1.09 2.43 -1.90 -1.91 114.38 113.03 2hgk h ARG 90 Ca -0.08 -0.25 -0.05 0.00 -0.81 0.00 0.00 59.98 58.79 2hgk h ARG 90 Cb 0.75 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.18 2hgk h ARG 90 CO 0.11 0.90 -0.19 0.00 -1.51 0.00 0.00 179.97 179.28 2hgk h ALA 91 N 0.99 1.59 -0.23 2.80 0.00 -1.89 0.23 119.26 122.76 2hgk h ALA 91 Ca 0.17 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 2hgk h ALA 91 Cb 0.43 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2hgk h ALA 91 CO 0.01 0.30 -0.30 -0.07 0.00 0.00 0.00 179.25 179.20 2hgk h LEU 92 N 0.07 0.66 -0.22 0.00 3.38 -1.84 -0.89 115.31 116.47 2hgk h LEU 92 Ca 0.01 -0.50 -0.02 0.00 0.09 0.00 0.00 57.88 57.46 2hgk h LEU 92 Cb 0.39 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2hgk h LEU 92 CO 0.03 1.03 0.04 0.40 0.09 0.00 0.00 178.44 180.03 2hgk h ILE 93 N 0.31 1.22 -0.82 1.22 2.04 -0.91 -2.69 117.51 117.88 2hgk h ILE 93 Ca 0.03 -0.72 -0.02 0.00 1.00 0.00 0.00 64.86 65.15 2hgk h ILE 93 Cb 0.87 1.27 -0.04 0.00 -0.74 0.00 0.00 36.82 38.18 2hgk h ILE 93 CO 0.07 0.23 0.44 -0.07 0.00 0.00 0.00 178.15 178.82 2hgk h LEU 94 N 0.18 1.02 -0.39 1.44 3.38 -0.97 -1.31 115.31 118.65 2hgk h LEU 94 Ca 0.07 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2hgk h LEU 94 Cb 0.30 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 2hgk h LEU 94 CO 0.00 0.82 0.26 0.00 0.09 0.00 0.00 178.44 179.61 2hgk h ALA 95 N 1.34 0.49 -0.53 1.53 0.00 -1.03 0.43 119.26 121.50 2hgk h ALA 95 Ca 0.29 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 2hgk h ALA 95 Cb 0.03 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2hgk h ALA 95 CO -0.05 -0.05 0.05 1.49 0.00 0.00 0.00 179.25 180.69 2hgk h GLU 96 N 0.52 0.86 -0.20 0.00 4.57 -1.15 -1.76 114.58 117.43 2hgk h GLU 96 Ca 0.14 -0.22 -0.02 0.00 -1.18 0.00 0.00 59.36 58.08 2hgk h GLU 96 Cb -0.06 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.42 2hgk h GLU 96 CO -0.03 0.83 0.06 -0.07 -1.18 0.00 0.00 179.01 178.62 2hgk h LEU 97 N 0.81 0.30 -2.03 1.64 3.38 -0.56 -1.36 115.31 117.48 2hgk h LEU 97 Ca 0.16 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2hgk h LEU 97 Cb 0.42 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 2hgk h LEU 97 CO 0.01 0.43 -0.00 -0.33 0.09 0.00 0.00 178.44 178.64 2hgk h GLU 98 N 0.15 0.00 -0.15 1.13 5.08 0.10 0.46 114.58 121.35 2hgk h GLU 98 Ca 0.06 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.23 2hgk h GLU 98 Cb 0.25 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.50 2hgk h GLU 98 CO -0.00 0.00 -0.65 -0.22 -1.00 0.00 0.00 179.01 177.15 2hgk h LYS 99 N 0.00 0.70 -0.10 2.33 3.64 -0.97 -0.72 116.57 121.45 2hgk h LYS 99 Ca -0.00 -0.56 -0.02 0.00 -1.27 0.00 0.00 60.65 58.81 2hgk h LYS 99 Cb 0.01 0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.93 2hgk h LYS 99 CO 0.00 1.17 0.00 1.25 -2.27 0.00 0.00 179.45 179.61 2hgk h LEU 100 N 0.40 0.17 -1.60 5.20 5.85 -0.08 -2.67 115.31 122.58 2hgk h LEU 100 Ca -0.04 -0.30 0.06 0.00 0.84 0.00 0.00 57.88 58.44 2hgk h LEU 100 Cb 1.28 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.23 2hgk h LEU 100 CO 0.13 0.43 0.36 0.44 -0.34 0.00 0.00 178.44 179.47 2hgk h ASP 101 N -0.09 0.43 0.35 1.25 3.32 -0.17 0.24 116.42 121.75 2hgk h ASP 101 Ca 0.03 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.04 2hgk h ASP 101 Cb 0.34 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 2hgk h ASP 101 CO 0.00 0.28 -0.21 0.00 -1.72 0.00 0.00 179.24 177.60 2hgk h ALA 102 N 1.71 1.41 0.03 3.45 0.00 -0.81 0.48 119.26 125.52 2hgk h ALA 102 Ca 0.24 -0.19 -0.21 0.00 0.00 0.00 0.00 54.91 54.74 2hgk h ALA 102 Cb 0.30 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2hgk h ALA 102 CO -0.06 0.26 -0.97 -0.07 0.00 0.00 0.00 179.25 178.40 2hgk h LEU 103 N 0.00 0.24 0.11 0.00 3.38 -0.63 -1.41 115.31 116.99 2hgk h LEU 103 Ca -0.00 -0.22 -0.22 0.00 0.09 0.00 0.00 57.88 57.54 2hgk h LEU 103 Cb 0.44 -0.07 0.02 0.00 0.09 0.00 0.00 40.66 41.14 2hgk h LEU 103 CO 0.03 1.08 -0.91 -0.26 0.09 0.00 0.00 178.44 178.46 2hgk h PHE 104 N 0.08 0.70 0.00 1.13 0.04 -1.01 -3.22 116.94 114.66 2hgk h PHE 104 Ca -0.06 -0.46 0.00 0.00 2.80 0.00 0.00 57.97 60.25 2hgk h PHE 104 Cb 1.65 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 39.75 2hgk h PHE 104 CO 0.03 1.33 0.00 0.00 -0.60 0.00 0.00 178.31 179.07 2hgk n ALA 105 N -2.66 2.55 0.26 2.45 0.00 0.16 -2.95 120.51 120.33 2hgk n ALA 105 Ca -0.13 -0.08 0.15 0.00 0.00 0.00 0.00 53.44 53.38 2hgk n ALA 105 Cb 0.85 -1.20 0.58 0.00 0.00 0.00 0.00 19.45 19.68 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 0.00 0.00 -4.19 0.00 3.58 -1.26 -3.43 116.42 111.12 2hgk h ASP 106 Ca 0.00 0.00 -0.45 0.00 0.42 0.00 0.00 57.03 57.00 2hgk h ASP 106 Cb 0.00 0.00 -0.20 0.00 1.72 0.00 0.00 39.33 40.85 2hgk h ASP 106 CO 0.00 0.07 -0.78 -0.62 -2.88 0.00 0.00 179.24 175.03 2hgk s ASP 107 N -5.89 2.06 0.12 2.28 2.15 -1.15 -5.06 116.67 111.18 2hgk s ASP 107 Ca 0.01 -0.72 0.00 0.00 0.43 0.00 0.00 52.55 52.27 2hgk s ASP 107 Cb 0.09 -0.08 0.00 0.00 -0.30 0.00 0.00 42.92 42.63 2hgk s ASP 107 CO 0.58 -0.07 0.00 0.00 -0.17 0.00 0.00 175.17 175.51 2hgk n ALA 108 N 0.90 3.00 -2.56 3.66 0.00 -1.26 -4.27 120.51 119.99 2hgk n ALA 108 Ca -0.18 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.85 2hgk n ALA 108 Cb 0.55 0.21 -0.08 0.00 0.00 0.00 0.00 19.45 20.13 2hgk n ALA 108 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2hgk s SER 109 N -5.48 6.30 0.00 0.00 0.01 -1.26 -4.72 113.70 108.55 2hgk s SER 109 Ca 0.00 -0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.20 2hgk s SER 109 Cb 0.00 -2.26 0.00 0.00 0.21 0.00 0.00 66.02 63.97 2hgk s SER 109 CO 0.00 -0.46 0.37 0.18 0.41 0.00 0.00 173.24 173.74 2hgk n LEU 110 N 5.69 0.08 0.27 2.44 4.77 -1.26 -2.02 117.00 126.97 2hgk n LEU 110 Ca -0.05 -0.04 0.14 0.00 -0.03 0.00 0.00 56.01 56.03 2hgk n LEU 110 Cb 0.49 -0.04 0.73 0.00 -2.33 0.00 0.00 43.42 42.26 2hgk n LEU 110 CO 0.44 0.02 0.97 -0.33 -1.33 0.00 0.00 177.39 177.17 2hgk h GLU 111 N 0.12 0.00 -0.31 3.23 5.08 -1.99 -1.48 114.58 119.23 2hgk h GLU 111 Ca 0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 2hgk h GLU 111 Cb 0.04 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2hgk h GLU 111 CO 0.00 0.10 -0.05 0.45 -1.00 0.00 0.00 179.01 178.51 2hgk h HIS 112 N 0.00 0.66 0.00 4.33 3.86 -1.82 -2.64 115.15 119.54 2hgk h HIS 112 Ca -0.00 -0.13 0.00 0.00 -1.16 0.00 0.00 60.37 59.08 2hgk h HIS 112 Cb 0.41 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 28.72 2hgk h HIS 112 CO 0.00 0.75 0.00 1.58 0.86 0.00 0.00 177.93 181.12 2hgk n HIS 113 N -4.49 0.48 0.18 2.45 -0.00 -0.84 -1.33 115.22 111.67 2hgk n HIS 113 Ca -0.03 0.17 0.04 0.00 -0.00 0.00 0.00 57.72 57.91 2hgk n HIS 113 Cb 0.31 -0.78 0.31 0.00 -0.00 0.00 0.00 29.99 29.83 2hgk n HIS 113 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2hgk h HIS 114 N 0.00 0.00 0.11 1.57 -0.00 -0.92 -3.21 115.15 112.70 2hgk h HIS 114 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 60.37 60.20 2hgk h HIS 114 Cb 0.40 0.00 0.01 0.00 -0.00 0.00 0.00 27.41 27.82 2hgk h HIS 114 CO 0.00 0.42 -0.79 0.45 -0.00 0.00 0.00 177.93 178.01 2hgk h HIS 115 N 0.00 0.41 -3.28 2.45 3.86 -1.15 -3.43 115.15 114.01 2hgk h HIS 115 Ca -0.00 -0.30 -0.62 0.00 -1.16 0.00 0.00 60.37 58.29 2hgk h HIS 115 Cb 0.92 -0.02 -0.36 0.00 1.06 0.00 0.00 27.41 29.01 2hgk h HIS 115 CO 0.00 1.30 -0.82 -1.58 0.86 0.00 0.00 177.93 177.69 2hgk s HIS 116 N -2.40 2.39 -2.47 2.45 5.65 -1.05 -5.15 115.29 114.71 2hgk s HIS 116 Ca -0.16 -1.48 0.28 0.00 0.25 0.00 0.00 55.06 53.95 2hgk s HIS 116 Cb 0.01 -1.66 1.10 0.00 -1.18 0.00 0.00 32.58 30.85 2hgk s HIS 116 CO 0.79 -0.73 1.77 0.72 -0.65 0.00 0.00 174.74 176.64