#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 0.00-12.17 0.03 2.03 -1.04 -1.26 -4.95 114.28 96.91 2hgk n THR 2 Ca 0.00 2.40 -0.05 0.00 -2.04 0.00 0.00 64.05 64.37 2hgk n THR 2 Cb 0.00 -6.50 -0.10 0.00 -1.82 0.00 0.00 70.33 61.90 2hgk n THR 2 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 2hgk h THR 3 N 3.84 0.96 -0.59 12.58 2.02 -1.95 -3.39 112.91 126.39 2hgk h THR 3 Ca -0.38 -2.64 -0.05 0.00 0.77 0.00 0.00 66.41 64.11 2hgk h THR 3 Cb 0.87 2.42 -0.03 0.00 -1.74 0.00 0.00 68.15 69.67 2hgk h THR 3 CO 0.04 0.55 0.14 0.45 0.37 0.00 0.00 175.52 177.07 2hgk h HIS 4 N 0.00 0.94 -0.72 3.16 -0.00 -1.92 -1.65 115.15 114.96 2hgk h HIS 4 Ca -0.16 -0.09 -0.03 0.00 -0.00 0.00 0.00 60.37 60.09 2hgk h HIS 4 Cb 1.78 -0.27 -0.03 0.00 -0.00 0.00 0.00 27.41 28.88 2hgk h HIS 4 CO 0.00 0.78 0.33 0.22 -0.00 0.00 0.00 177.93 179.26 2hgk h ASP 5 N 0.87 0.95 -0.42 2.45 3.58 -1.91 -0.33 116.42 121.61 2hgk h ASP 5 Ca 0.19 -0.11 -0.07 0.00 0.42 0.00 0.00 57.03 57.46 2hgk h ASP 5 Cb 0.31 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.10 2hgk h ASP 5 CO -0.00 0.81 -0.01 0.03 -2.88 0.00 0.00 179.24 177.19 2hgk h ARG 6 N 1.03 0.74 -0.62 0.28 3.08 -1.54 -1.03 114.38 116.32 2hgk h ARG 6 Ca 0.25 -0.24 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 2hgk h ARG 6 Cb 0.13 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.09 2hgk h ARG 6 CO -0.03 0.83 0.14 0.28 -1.07 0.00 0.00 179.97 180.12 2hgk h VAL 7 N 0.58 1.25 -0.98 2.04 2.07 -1.10 -1.86 116.25 118.24 2hgk h VAL 7 Ca 0.12 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 66.72 2hgk h VAL 7 Cb 0.50 0.62 -0.05 0.00 -1.52 0.00 0.00 31.29 30.84 2hgk h VAL 7 CO 0.02 0.35 0.62 -0.09 0.02 0.00 0.00 177.57 178.49 2hgk h ARG 8 N 0.94 1.31 -0.57 1.57 2.43 -0.68 -0.94 114.38 118.43 2hgk h ARG 8 Ca 0.20 -0.10 -0.08 0.00 -0.81 0.00 0.00 59.98 59.19 2hgk h ARG 8 Cb 0.35 -0.29 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 2hgk h ARG 8 CO 0.00 0.89 0.04 -0.07 -1.51 0.00 0.00 179.97 179.31 2hgk h LEU 9 N 1.34 0.93 -0.59 3.80 3.38 -0.70 -2.43 115.31 121.03 2hgk h LEU 9 Ca 0.36 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 2hgk h LEU 9 Cb -0.11 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.36 2hgk h LEU 9 CO -0.07 0.96 0.24 -0.61 0.09 0.00 0.00 178.44 179.05 2hgk h GLN 10 N 0.89 0.87 -0.95 1.13 -0.00 -0.65 -0.64 115.11 115.76 2hgk h GLN 10 Ca 0.17 -0.15 0.08 0.00 -0.00 0.00 0.00 58.65 58.75 2hgk h GLN 10 Cb 0.47 -0.14 -0.07 0.00 0.00 0.00 0.00 27.48 27.74 2hgk h GLN 10 CO 0.02 0.74 0.61 -0.07 0.00 0.00 0.00 178.83 180.13 2hgk h LEU 11 N 0.81 0.93 -0.77 -2.39 3.38 -0.90 0.47 115.31 116.84 2hgk h LEU 11 Ca 0.20 0.02 -0.13 0.00 0.09 0.00 0.00 57.88 58.05 2hgk h LEU 11 Cb 0.19 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2hgk h LEU 11 CO -0.02 0.58 -0.59 1.56 0.09 0.00 0.00 178.44 180.06 2hgk h GLN 12 N 1.05 0.07 -0.09 1.13 4.20 -0.95 -1.19 115.11 119.32 2hgk h GLN 12 Ca 0.42 -0.05 -0.22 0.00 0.06 0.00 0.00 58.65 58.86 2hgk h GLN 12 Cb 0.27 0.01 0.01 0.00 0.30 0.00 0.00 27.48 28.06 2hgk h GLN 12 CO -0.18 0.64 -0.83 0.00 -0.67 0.00 0.00 178.83 177.79 2hgk h ALA 13 N 1.35 0.35 -0.73 3.87 0.00 0.51 -2.07 119.26 122.54 2hgk h ALA 13 Ca -0.01 -0.63 -0.04 0.00 0.00 0.00 0.00 54.91 54.23 2hgk h ALA 13 Cb 1.06 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 2hgk h ALA 13 CO 0.08 0.72 0.29 1.25 0.00 0.00 0.00 179.25 181.59 2hgk h LEU 14 N 0.43 1.00 -0.43 0.00 5.85 -0.05 0.75 115.31 122.86 2hgk h LEU 14 Ca -0.06 -0.17 0.07 0.00 0.84 0.00 0.00 57.88 58.55 2hgk h LEU 14 Cb 1.45 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 42.17 2hgk h LEU 14 CO 0.16 0.90 0.10 -0.08 -0.34 0.00 0.00 178.44 179.17 2hgk h GLU 15 N 1.04 0.23 -0.53 1.25 4.81 -1.14 -1.04 114.58 119.20 2hgk h GLU 15 Ca 0.24 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.43 2hgk h GLU 15 Cb 0.21 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 2hgk h GLU 15 CO -0.02 0.15 0.23 0.00 -0.73 0.00 0.00 179.01 178.64 2hgk h ALA 16 N 1.32 0.68 -0.63 2.92 0.00 -0.78 -0.77 119.26 122.00 2hgk h ALA 16 Ca 0.21 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.01 2hgk h ALA 16 Cb 0.26 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 2hgk h ALA 16 CO -0.27 0.27 0.39 1.25 0.00 0.00 0.00 179.25 180.89 2hgk h LEU 17 N 0.71 0.64 -0.84 0.00 6.46 -0.41 0.34 115.31 122.20 2hgk h LEU 17 Ca 0.18 0.00 -0.12 0.00 -0.12 0.00 0.00 57.88 57.82 2hgk h LEU 17 Cb 0.16 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 39.94 2hgk h LEU 17 CO -0.02 0.45 -0.42 -0.07 -0.62 0.00 0.00 178.44 177.76 2hgk h LEU 18 N 0.77 0.36 -0.40 2.25 3.38 -0.98 -2.82 115.31 117.87 2hgk h LEU 18 Ca 0.25 -0.16 -0.14 0.00 0.09 0.00 0.00 57.88 57.92 2hgk h LEU 18 Cb 0.01 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2hgk h LEU 18 CO -0.10 0.74 -0.31 -0.09 0.09 0.00 0.00 178.44 178.78 2hgk h ARG 19 N 0.28 0.92 -0.46 1.13 2.43 -0.28 0.45 114.38 118.85 2hgk h ARG 19 Ca 0.02 -0.45 0.09 0.00 -0.81 0.00 0.00 59.98 58.84 2hgk h ARG 19 Cb 0.86 -0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 30.31 2hgk h ARG 19 CO 0.07 1.10 -0.22 0.93 -1.51 0.00 0.00 179.97 180.34 2hgk h GLU 20 N 0.74 -0.12 -0.55 0.20 5.08 -0.10 0.03 114.58 119.85 2hgk h GLU 20 Ca 0.08 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2hgk h GLU 20 Cb 0.89 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.17 2hgk h GLU 20 CO 0.08 -0.08 0.00 0.72 -1.00 0.00 0.00 179.01 178.73 2hgk n HIS 21 N -5.40 0.84 -3.74 4.33 8.25 -1.17 -4.91 115.22 113.41 2hgk n HIS 21 Ca 0.03 -0.35 -0.26 0.00 -0.26 0.00 0.00 57.72 56.87 2hgk n HIS 21 Cb 0.31 -0.11 0.05 0.00 1.12 0.00 0.00 29.99 31.36 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 0.71 -6.67 -0.06 -0.41 1.13 -0.01 -4.87 117.38 107.20 2hgk n GLN 22 Ca 0.16 0.72 0.07 0.00 -1.94 0.00 0.00 57.00 56.01 2hgk n GLN 22 Cb 0.53 -5.67 0.10 0.00 0.11 0.00 0.00 30.24 25.31 2hgk n GLN 22 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 2hgk n HIS 23 N -4.79 0.16 -2.68 1.08 8.25 0.12 -4.95 115.22 112.40 2hgk n HIS 23 Ca -0.00 -0.14 -0.43 0.00 -0.26 0.00 0.00 57.72 56.89 2hgk n HIS 23 Cb 0.56 -0.01 -0.02 0.00 1.12 0.00 0.00 29.99 31.64 2hgk n HIS 23 CO 0.00 0.00 0.00 -0.46 0.64 0.00 0.00 176.34 176.52 2hgk s TRP 24 N -1.13 3.36 -0.18 4.41 -0.11 -1.11 -4.96 118.94 119.22 2hgk s TRP 24 Ca 0.20 1.46 -0.20 0.00 1.22 0.00 0.00 56.10 58.77 2hgk s TRP 24 Cb 0.13 -3.24 -0.03 0.00 -1.50 0.00 0.00 33.47 28.83 2hgk s TRP 24 CO 0.18 -0.45 0.59 1.03 -4.62 0.00 0.00 176.95 173.69 2hgk s ARG 25 N 3.04 4.24 0.00 5.86 0.52 -1.26 -4.92 118.95 126.42 2hgk s ARG 25 Ca 0.44 0.57 0.19 0.00 -0.52 0.00 0.00 55.73 56.41 2hgk s ARG 25 Cb -0.15 -3.55 0.52 0.00 0.52 0.00 0.00 34.95 32.29 2hgk s ARG 25 CO 0.07 -0.15 1.43 0.09 0.02 0.00 0.00 175.30 176.77 2hgk n ASN 26 N 4.73 3.58 -4.78 0.23 5.03 -1.26 -4.96 115.26 117.83 2hgk n ASN 26 Ca -0.03 -1.99 -0.30 0.00 0.87 0.00 0.00 54.58 53.13 2hgk n ASN 26 Cb 0.50 -0.39 0.11 0.00 -1.02 0.00 0.00 39.78 38.98 2hgk n ASN 26 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 2hgk s ASP 27 N -1.03 4.13 -0.30 6.41 1.11 -1.26 -5.01 116.67 120.71 2hgk s ASP 27 Ca 0.40 1.32 -0.15 0.00 0.18 0.00 0.00 52.55 54.30 2hgk s ASP 27 Cb 0.21 -2.03 -0.02 0.00 1.07 0.00 0.00 42.92 42.15 2hgk s ASP 27 CO 0.28 -2.20 0.38 -1.61 1.18 0.00 0.00 175.17 173.20 2hgk s GLU 28 N -5.11 3.82 0.44 8.23 0.41 -1.26 -5.06 118.70 120.17 2hgk s GLU 28 Ca 0.62 -0.15 -0.24 0.00 -0.41 0.00 0.00 54.97 54.79 2hgk s GLU 28 Cb -0.15 -3.72 -0.08 0.00 -1.78 0.00 0.00 34.13 28.40 2hgk s GLU 28 CO 0.55 -0.40 1.19 -2.14 -0.49 0.00 0.00 175.26 173.97 2hgk s PRO 29 N 2.09 3.82 -0.11 0.39 0.02 -1.26 -5.04 135.00 134.90 2hgk s PRO 29 Ca 0.14 1.86 -0.08 0.00 0.02 0.00 0.00 61.00 62.94 2hgk s PRO 29 Cb -0.16 -2.51 -0.04 0.00 0.02 0.00 0.00 34.50 31.81 2hgk s PRO 29 CO 0.11 -0.53 0.18 -1.14 -0.33 0.00 0.00 177.00 175.29 2hgk s GLN 30 N -2.56 3.58 0.35 5.54 0.74 -1.26 -5.00 119.66 121.05 2hgk s GLN 30 Ca 0.62 -0.06 0.18 0.00 0.05 0.00 0.00 55.36 56.15 2hgk s GLN 30 Cb -0.31 -3.22 1.24 0.00 1.10 0.00 0.00 33.01 31.82 2hgk s GLN 30 CO 0.38 0.72 1.50 -2.30 -0.55 0.00 0.00 175.29 175.04 2hgk n PRO 31 N 2.12 -0.06 0.10 1.67 -0.02 -1.26 -0.03 135.00 137.52 2hgk n PRO 31 Ca -0.19 1.32 0.09 0.00 -2.02 0.00 0.00 63.50 62.70 2hgk n PRO 31 Cb 0.54 -2.34 0.42 0.00 -0.02 0.00 0.00 33.50 32.10 2hgk n PRO 31 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 2hgk n HIS 32 N -5.16 0.53 1.90 6.00 1.44 -1.26 -1.65 115.22 117.02 2hgk n HIS 32 Ca 0.35 0.23 0.16 0.00 -2.01 0.00 0.00 57.72 56.45 2hgk n HIS 32 Cb 1.18 -0.88 0.91 0.00 0.12 0.00 0.00 29.99 31.33 2hgk n HIS 32 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 2hgk n GLN 33 N -2.01 0.91 0.00 -1.40 6.02 0.96 -2.17 117.38 119.70 2hgk n GLN 33 Ca 0.01 0.00 0.11 0.00 -0.01 0.00 0.00 57.00 57.11 2hgk n GLN 33 Cb 0.13 -1.50 0.08 0.00 1.02 0.00 0.00 30.24 29.97 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 -1.04 0.00 0.11 1.08 3.72 -0.66 -4.27 117.46 116.40 2hgk n PHE 34 Ca 0.22 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.60 2hgk n PHE 34 Cb 0.13 0.00 0.07 0.00 -0.94 0.00 0.00 39.48 38.73 2hgk n PHE 34 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 2hgk h ASN 35 N 4.21 0.00 -2.24 4.37 -1.24 -1.60 -3.42 115.58 115.67 2hgk h ASN 35 Ca 0.00 0.00 -0.57 0.00 0.71 0.00 0.00 56.30 56.44 2hgk h ASN 35 Cb 0.92 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.96 2hgk h ASN 35 CO 0.00 0.74 1.41 -0.94 -1.29 0.00 0.00 177.43 177.35 2hgk s SER 36 N -6.77 5.55 0.00 1.15 1.04 -1.26 -4.83 113.70 108.59 2hgk s SER 36 Ca -0.00 1.56 0.26 0.00 0.48 0.00 0.00 55.95 58.25 2hgk s SER 36 Cb 0.11 -2.52 0.67 0.00 0.10 0.00 0.00 66.02 64.39 2hgk s SER 36 CO 0.78 -1.93 1.53 1.07 0.98 0.00 0.00 173.24 175.66 2hgk n THR 37 N 7.63 0.00 -1.94 2.02 5.66 -1.26 -4.53 114.28 121.86 2hgk n THR 37 Ca 0.27 -0.01 -0.39 0.00 -3.05 0.00 0.00 64.05 60.87 2hgk n THR 37 Cb 0.46 0.13 0.01 0.00 -1.55 0.00 0.00 70.33 69.39 2hgk n THR 37 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 2hgk s GLN 38 N -2.94 3.67 0.51 1.09 -1.52 -1.26 -4.88 119.66 114.33 2hgk s GLN 38 Ca 0.13 2.20 0.26 0.00 -1.95 0.00 0.00 55.36 56.00 2hgk s GLN 38 Cb 0.18 -2.57 1.37 0.00 -0.22 0.00 0.00 33.01 31.76 2hgk s GLN 38 CO 0.65 -0.75 1.95 -1.00 -0.25 0.00 0.00 175.29 175.88 2hgk h PRO 39 N 2.22 0.07 -0.21 2.91 0.13 -2.04 0.33 132.00 135.40 2hgk h PRO 39 Ca -0.50 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2hgk h PRO 39 Cb 1.26 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2hgk h PRO 39 CO 0.61 0.05 0.00 1.19 -0.23 0.00 0.00 178.00 179.61 2hgk n PHE 40 N -4.36 0.26 -3.10 1.56 3.01 -1.26 -4.94 117.46 108.63 2hgk n PHE 40 Ca 0.14 -0.13 -0.21 0.00 1.01 0.00 0.00 57.45 58.26 2hgk n PHE 40 Cb 0.71 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.19 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 1.24 -1.75 1.02 1.38 3.01 0.11 -4.79 117.46 117.68 2hgk n PHE 41 Ca 0.17 0.38 0.08 0.00 1.01 0.00 0.00 57.45 59.09 2hgk n PHE 41 Cb 0.56 -3.24 0.45 0.00 -0.01 0.00 0.00 39.48 37.24 2hgk n PHE 41 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2hgk n MET 42 N -3.60 0.51 0.03 -1.08 0.00 -1.26 -0.64 117.12 111.08 2hgk n MET 42 Ca -0.06 0.00 0.11 0.00 0.00 0.00 0.00 57.70 57.75 2hgk n MET 42 Cb 0.57 -1.47 0.02 0.00 0.00 0.00 0.00 33.22 32.35 2hgk n MET 42 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 2hgk n ASP 43 N -0.97 0.61 0.00 3.17 9.92 -1.26 -4.70 116.55 123.33 2hgk n ASP 43 Ca 0.11 -0.18 0.00 0.00 -0.53 0.00 0.00 54.79 54.19 2hgk n ASP 43 Cb 0.05 0.78 0.00 0.00 -0.64 0.00 0.00 41.12 41.31 2hgk n ASP 43 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 2hgk n THR 44 N -1.99 0.00 -2.65 -3.53 -2.24 -0.58 -5.02 114.28 98.26 2hgk n THR 44 Ca 0.02 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.50 2hgk n THR 44 Cb 0.44 -0.58 -0.02 0.00 -2.10 0.00 0.00 70.33 68.08 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 -1.78 3.69 0.28 -0.78 -1.94 0.19 -5.05 119.30 113.91 2hgk s MET 45 Ca 0.00 0.44 -0.23 0.00 -1.71 0.00 0.00 55.69 54.18 2hgk s MET 45 Cb 0.00 -2.34 -0.09 0.00 2.01 0.00 0.00 34.83 34.41 2hgk s MET 45 CO 0.00 -0.16 0.85 -1.21 -0.01 0.00 0.00 175.02 174.49 2hgk s GLU 46 N -4.30 4.44 0.15 2.03 0.41 -1.26 -4.46 118.70 115.71 2hgk s GLU 46 Ca 0.51 1.13 -0.28 0.00 -0.41 0.00 0.00 54.97 55.92 2hgk s GLU 46 Cb -0.10 -2.83 -0.02 0.00 -1.78 0.00 0.00 34.13 29.40 2hgk s GLU 46 CO 0.38 0.32 1.58 -1.35 -0.49 0.00 0.00 175.26 175.70 2hgk h PRO 47 N 3.26 -0.37 0.00 0.39 0.11 -1.93 0.48 132.00 133.95 2hgk h PRO 47 Ca -0.47 0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.60 2hgk h PRO 47 Cb 1.19 0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 2hgk h PRO 47 CO 0.65 -0.25 -0.32 1.25 -0.21 0.00 0.00 178.00 179.12 2hgk h LEU 48 N -0.38 0.00 -0.31 2.35 5.85 -1.94 -2.62 115.31 118.25 2hgk h LEU 48 Ca 0.11 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.67 2hgk h LEU 48 Cb 0.60 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.63 2hgk h LEU 48 CO -0.51 0.32 -0.45 -0.08 -0.34 0.00 0.00 178.44 177.38 2hgk h GLU 49 N 0.00 0.85 -0.89 1.25 4.81 -1.58 -2.97 114.58 116.05 2hgk h GLU 49 Ca -0.00 -0.50 0.05 0.00 -0.13 0.00 0.00 59.36 58.78 2hgk h GLU 49 Cb 0.62 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.98 2hgk h GLU 49 CO 0.04 1.14 0.56 2.35 -0.73 0.00 0.00 179.01 182.37 2hgk h TRP 50 N 0.63 1.05 -0.96 0.92 7.01 0.26 -0.57 115.95 124.28 2hgk h TRP 50 Ca 0.03 0.03 0.15 0.00 2.11 0.00 0.00 58.89 61.21 2hgk h TRP 50 Cb 1.05 -0.34 -0.09 0.00 -2.10 0.00 0.00 29.16 27.67 2hgk h TRP 50 CO 0.07 0.55 0.58 1.25 -2.79 0.00 0.00 178.44 178.10 2hgk h LEU 51 N 1.04 0.78 0.00 0.65 5.85 -1.32 0.06 115.31 122.38 2hgk h LEU 51 Ca 0.38 0.08 -0.05 0.00 0.84 0.00 0.00 57.88 59.12 2hgk h LEU 51 Cb 0.13 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 2hgk h LEU 51 CO -0.16 0.35 -0.35 1.56 -0.34 0.00 0.00 178.44 179.50 2hgk h GLN 52 N 0.82 0.00 0.12 1.25 4.20 -1.26 -2.65 115.11 117.59 2hgk h GLN 52 Ca 0.52 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.95 2hgk h GLN 52 Cb 0.68 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.48 2hgk h GLN 52 CO -0.33 0.61 -1.22 2.35 -0.67 0.00 0.00 178.83 179.57 2hgk h TRP 53 N -1.00 0.79 0.00 2.96 2.91 -1.13 -3.39 115.95 117.10 2hgk h TRP 53 Ca -0.08 -0.51 0.00 0.00 1.13 0.00 0.00 58.89 59.43 2hgk h TRP 53 Cb 0.75 -0.06 0.00 0.00 -0.51 0.00 0.00 29.16 29.34 2hgk h TRP 53 CO 0.10 1.37 -0.86 0.28 -1.03 0.00 0.00 178.44 178.30 2hgk n VAL 54 N -3.70 1.41 0.40 2.65 0.31 -0.10 -4.50 118.33 114.80 2hgk n VAL 54 Ca -0.11 0.18 -0.20 0.00 -0.01 0.00 0.00 64.34 64.20 2hgk n VAL 54 Cb 0.98 -2.24 -0.10 0.00 -0.91 0.00 0.00 33.84 31.57 2hgk n VAL 54 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 2hgk h LEU 55 N -0.86 -1.31 0.30 7.52 5.85 -1.31 -0.32 115.31 125.18 2hgk h LEU 55 Ca 0.00 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.81 2hgk h LEU 55 Cb 0.86 0.40 -0.03 0.00 0.37 0.00 0.00 40.66 42.26 2hgk h LEU 55 CO 0.00 -0.74 -0.37 0.40 -0.34 0.00 0.00 178.44 177.39 2hgk h ILE 56 N -1.17 0.24 -0.30 4.05 2.04 -1.65 -0.07 117.51 120.65 2hgk h ILE 56 Ca -0.10 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.69 2hgk h ILE 56 Cb 0.95 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 2hgk h ILE 56 CO 0.06 0.00 -0.14 -0.65 0.00 0.00 0.00 178.15 177.42 2hgk h PRO 57 N -0.72 0.51 -0.30 2.37 0.11 -1.75 -2.37 132.00 129.86 2hgk h PRO 57 Ca -0.01 -0.15 -0.15 0.00 0.11 0.00 0.00 66.00 65.79 2hgk h PRO 57 Cb 0.67 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.72 2hgk h PRO 57 CO -0.10 0.64 -0.43 -0.09 -0.21 0.00 0.00 178.00 177.81 2hgk h ARG 58 N 0.47 0.74 0.00 1.05 2.43 -0.86 -2.63 114.38 115.59 2hgk h ARG 58 Ca 0.08 -0.40 -0.05 0.00 -0.81 0.00 0.00 59.98 58.80 2hgk h ARG 58 Cb 0.52 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 2hgk h ARG 58 CO 0.03 1.02 -0.24 0.52 -1.51 0.00 0.00 179.97 179.80 2hgk h MET 59 N 0.60 0.00 -0.77 0.20 2.86 -0.72 -2.07 114.93 115.03 2hgk h MET 59 Ca 0.04 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.72 2hgk h MET 59 Cb 0.98 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.59 2hgk h MET 59 CO 0.09 0.24 0.48 0.45 1.06 0.00 0.00 176.91 179.23 2hgk h HIS 60 N 0.00 0.89 -0.23 -0.22 3.86 -1.05 0.50 115.15 118.90 2hgk h HIS 60 Ca -0.00 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 2hgk h HIS 60 Cb 0.53 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.70 2hgk h HIS 60 CO 0.00 0.49 0.09 0.22 0.86 0.00 0.00 177.93 179.59 2hgk h ASP 61 N 0.91 0.33 -0.73 2.45 3.58 -1.36 0.19 116.42 121.79 2hgk h ASP 61 Ca 0.32 -0.17 0.04 0.00 0.42 0.00 0.00 57.03 57.63 2hgk h ASP 61 Cb 0.08 -0.09 -0.05 0.00 1.72 0.00 0.00 39.33 40.99 2hgk h ASP 61 CO -0.14 0.41 0.45 0.25 -2.88 0.00 0.00 179.24 177.34 2hgk h LEU 62 N 0.22 0.74 -0.17 2.28 5.85 -1.05 0.15 115.31 123.33 2hgk h LEU 62 Ca 0.08 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.59 2hgk h LEU 62 Cb 0.19 -0.15 0.01 0.00 0.37 0.00 0.00 40.66 41.08 2hgk h LEU 62 CO -0.01 0.50 -0.74 -0.07 -0.34 0.00 0.00 178.44 177.79 2hgk h LEU 63 N 0.88 0.94 -0.88 2.25 3.38 -0.77 -2.24 115.31 118.86 2hgk h LEU 63 Ca 0.30 -0.62 -0.11 0.00 0.09 0.00 0.00 57.88 57.55 2hgk h LEU 63 Cb 0.05 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 2hgk h LEU 63 CO -0.12 1.40 -0.34 -0.78 0.09 0.00 0.00 178.44 178.69 2hgk h ASP 64 N 0.54 0.43 0.67 -0.43 3.58 -0.20 -0.57 116.42 120.44 2hgk h ASP 64 Ca -0.04 -0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.24 2hgk h ASP 64 Cb 1.36 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 42.29 2hgk h ASP 64 CO 0.15 0.75 0.00 0.59 -2.88 0.00 0.00 179.24 177.85 2hgk n ASN 65 N -4.07 0.00 -1.86 2.28 3.02 0.49 -4.90 115.26 110.22 2hgk n ASN 65 Ca -0.01 0.30 -0.15 0.00 -0.03 0.00 0.00 54.58 54.69 2hgk n ASN 65 Cb 0.45 -0.42 0.01 0.00 -0.61 0.00 0.00 39.78 39.20 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 -1.42 -2.04 -2.09 3.52 5.02 -0.22 -4.98 118.16 115.94 2hgk n LYS 66 Ca 0.08 0.68 -0.37 0.00 -2.02 0.00 0.00 58.31 56.68 2hgk n LYS 66 Cb 0.24 -4.98 0.01 0.00 -0.02 0.00 0.00 35.03 30.29 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 -4.96 3.37 0.00 1.97 -1.52 -0.87 -4.87 119.66 112.78 2hgk s GLN 67 Ca 0.08 1.87 0.00 0.00 -1.95 0.00 0.00 55.36 55.36 2hgk s GLN 67 Cb -0.04 -2.20 0.00 0.00 -0.22 0.00 0.00 33.01 30.55 2hgk s GLN 67 CO 0.10 -0.89 0.33 -2.30 -0.25 0.00 0.00 175.29 172.28 2hgk n PRO 68 N -0.99 0.35 -0.57 2.91 -0.02 -1.26 -4.87 135.00 130.55 2hgk n PRO 68 Ca 0.10 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.62 2hgk n PRO 68 Cb 0.48 -1.02 -0.02 0.00 -0.02 0.00 0.00 33.50 32.92 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 -0.40 -0.50 -0.22 2.45 4.77 -1.26 -4.58 117.00 117.26 2hgk n LEU 69 Ca 0.00 1.00 0.16 0.00 -0.03 0.00 0.00 56.01 57.13 2hgk n LEU 69 Cb 0.01 -0.92 0.47 0.00 -2.33 0.00 0.00 43.42 40.65 2hgk n LEU 69 CO 0.00 -0.61 1.22 1.55 -1.33 0.00 0.00 177.39 178.22 2hgk h PRO 70 N -0.29 0.47 0.00 3.23 0.13 -1.92 -3.46 132.00 130.16 2hgk h PRO 70 Ca -0.05 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 2hgk h PRO 70 Cb 0.46 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.49 2hgk h PRO 70 CO 0.02 0.31 0.00 0.41 -0.23 0.00 0.00 178.00 178.51 2hgk n GLY 71 N -1.49 2.31 2.26 1.56 0.00 -0.86 -4.76 105.19 104.20 2hgk n GLY 71 Ca 0.17 -0.27 -0.25 0.00 0.00 0.00 0.00 46.02 45.67 2hgk n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hgk n ALA 72 N 0.00 2.64 -2.89 4.61 0.00 -1.26 -4.26 120.51 119.35 2hgk n ALA 72 Ca 0.00 -3.43 -0.33 0.00 0.00 0.00 0.00 53.44 49.68 2hgk n ALA 72 Cb 0.00 -0.81 -0.14 0.00 0.00 0.00 0.00 19.45 18.51 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 -0.98 2.82 -0.26 0.00 5.36 -1.26 -5.09 117.98 118.57 2hgk s PHE 73 Ca 0.35 -0.44 -0.01 0.00 -0.96 0.00 0.00 56.93 55.86 2hgk s PHE 73 Cb 0.14 -1.80 0.15 0.00 -0.34 0.00 0.00 43.02 41.16 2hgk s PHE 73 CO -0.13 -0.06 0.41 0.00 -1.46 0.00 0.00 175.22 173.99 2hgk s ALA 74 N 0.02 -1.26 -0.04 11.12 0.00 -1.26 -4.64 121.76 125.70 2hgk s ALA 74 Ca -0.03 0.88 0.20 0.00 0.00 0.00 0.00 51.96 53.01 2hgk s ALA 74 Cb -0.14 -1.82 -0.31 0.00 0.00 0.00 0.00 23.12 20.84 2hgk s ALA 74 CO 0.04 -1.38 0.43 1.33 0.00 0.00 0.00 175.76 176.18 2hgk n VAL 75 N 5.37 0.07 -0.05 0.00 0.24 -1.26 -4.58 118.33 118.12 2hgk n VAL 75 Ca -0.02 -0.48 -0.08 0.00 -2.04 0.00 0.00 64.34 61.72 2hgk n VAL 75 Cb 0.50 0.01 -0.01 0.00 -1.47 0.00 0.00 33.84 32.86 2hgk n VAL 75 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2hgk h ALA 76 N 1.82 -0.02 0.00 2.33 0.00 -1.91 -0.79 119.26 120.69 2hgk h ALA 76 Ca -0.03 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2hgk h ALA 76 Cb 1.00 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 2hgk h ALA 76 CO 0.00 -0.59 -0.00 -1.00 0.00 0.00 0.00 179.25 177.65 2hgk h PRO 77 N -0.17 0.00 0.13 0.00 0.13 -1.98 -2.05 132.00 128.05 2hgk h PRO 77 Ca 0.13 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 65.08 2hgk h PRO 77 Cb 0.37 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.52 2hgk h PRO 77 CO -0.34 0.00 -0.83 -0.92 -0.23 0.00 0.00 178.00 175.68 2hgk h TYR 78 N 0.00 0.48 0.00 1.56 3.20 -1.45 -3.29 116.97 117.47 2hgk h TYR 78 Ca -0.00 -0.35 0.00 0.00 3.14 0.00 0.00 58.73 61.52 2hgk h TYR 78 Cb 0.02 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.27 2hgk h TYR 78 CO 0.00 1.32 0.00 0.66 -1.64 0.00 0.00 178.16 178.50 2hgk n TYR 79 N -4.14 0.48 0.14 -3.82 4.02 -0.59 -1.20 117.16 112.05 2hgk n TYR 79 Ca -0.15 0.19 0.09 0.00 -0.01 0.00 0.00 57.90 58.02 2hgk n TYR 79 Cb 0.80 -0.80 0.59 0.00 -0.02 0.00 0.00 39.34 39.91 2hgk n TYR 79 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 176.86 177.34 2hgk h GLU 80 N 0.00 0.15 0.02 -0.72 4.81 -1.48 0.24 114.58 117.60 2hgk h GLU 80 Ca 0.00 -0.01 -0.38 0.00 -0.13 0.00 0.00 59.36 58.85 2hgk h GLU 80 Cb 0.33 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.62 2hgk h GLU 80 CO 0.00 0.10 -2.34 -1.33 -0.73 0.00 0.00 179.01 174.71 2hgk n MET 81 N -4.50 0.67 0.14 1.92 2.81 -0.34 -4.51 117.12 113.32 2hgk n MET 81 Ca 0.01 0.14 0.02 0.00 -1.81 0.00 0.00 57.70 56.06 2hgk n MET 81 Cb 0.18 -1.56 0.09 0.00 -0.71 0.00 0.00 33.22 31.22 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 0.31 0.72 -3.20 3.04 0.00 -1.25 -3.45 119.26 115.43 2hgk h ALA 82 Ca -0.53 -0.48 -0.65 0.00 0.00 0.00 0.00 54.91 53.25 2hgk h ALA 82 Cb 2.01 -0.08 -0.10 0.00 0.00 0.00 0.00 17.79 19.61 2hgk h ALA 82 CO -0.02 0.66 -0.60 -1.17 0.00 0.00 0.00 179.25 178.11 2hgk s LEU 83 N -6.65 3.76 -0.04 0.00 2.96 0.06 -4.91 118.68 113.86 2hgk s LEU 83 Ca 0.03 0.04 -0.34 0.00 -0.22 0.00 0.00 54.13 53.64 2hgk s LEU 83 Cb 0.09 -2.29 -0.12 0.00 0.50 0.00 0.00 46.19 44.36 2hgk s LEU 83 CO 0.74 0.23 1.82 0.00 -1.32 0.00 0.00 176.35 177.82 2hgk n ALA 84 N 0.94 0.93 -0.04 5.97 0.00 -1.26 -4.81 120.51 122.23 2hgk n ALA 84 Ca -0.12 0.32 -0.13 0.00 0.00 0.00 0.00 53.44 53.51 2hgk n ALA 84 Cb 0.52 -2.46 -0.08 0.00 0.00 0.00 0.00 19.45 17.43 2hgk n ALA 84 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2hgk h THR 85 N 5.09 1.37 0.00 0.00 1.35 -1.93 -3.08 112.91 115.72 2hgk h THR 85 Ca -0.48 -1.35 0.00 0.00 -0.55 0.00 0.00 66.41 64.04 2hgk h THR 85 Cb 1.27 2.01 0.00 0.00 -1.73 0.00 0.00 68.15 69.70 2hgk h THR 85 CO 0.94 0.39 0.00 0.47 -0.25 0.00 0.00 175.52 177.06 2hgk n ASP 86 N -4.59 0.00 -4.23 5.36 8.00 -1.26 -4.55 116.55 115.28 2hgk n ASP 86 Ca -0.07 -1.47 -0.42 0.00 0.71 0.00 0.00 54.79 53.55 2hgk n ASP 86 Cb 0.36 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.39 2hgk n ASP 86 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 2hgk s HIS 87 N -2.00 3.43 0.61 1.24 2.46 -1.16 -4.96 115.29 114.91 2hgk s HIS 87 Ca 0.17 -1.86 0.28 0.00 0.47 0.00 0.00 55.06 54.12 2hgk s HIS 87 Cb 0.08 -3.55 1.39 0.00 -0.13 0.00 0.00 32.58 30.36 2hgk s HIS 87 CO 0.13 -0.99 1.80 -1.00 -2.47 0.00 0.00 174.74 172.21 2hgk h PRO 88 N 8.37 0.00 -0.04 2.88 0.13 -1.86 0.19 132.00 141.68 2hgk h PRO 88 Ca -0.19 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.95 2hgk h PRO 88 Cb 1.07 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.19 2hgk h PRO 88 CO 0.87 0.00 0.13 1.96 -0.23 0.00 0.00 178.00 180.73 2hgk h GLN 89 N 0.00 0.00 0.00 0.86 4.20 -1.92 -0.67 115.11 117.58 2hgk h GLN 89 Ca 0.19 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.86 2hgk h GLN 89 Cb 1.31 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.08 2hgk h GLN 89 CO -0.00 0.00 -0.19 0.07 -0.67 0.00 0.00 178.83 178.04 2hgk h ARG 90 N 0.00 0.00 -0.83 1.46 0.11 -1.22 -2.64 114.38 111.25 2hgk h ARG 90 Ca 0.02 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.06 2hgk h ARG 90 Cb 0.27 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.31 2hgk h ARG 90 CO -0.00 0.19 0.38 0.00 0.10 0.00 0.00 179.97 180.64 2hgk h ALA 91 N 1.81 1.10 -0.39 0.08 0.00 -1.33 0.42 119.26 120.95 2hgk h ALA 91 Ca -0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2hgk h ALA 91 Cb 0.35 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2hgk h ALA 91 CO 0.02 0.67 0.22 -0.07 0.00 0.00 0.00 179.25 180.09 2hgk h LEU 92 N 1.19 0.49 -0.14 0.00 3.38 -1.62 -1.46 115.31 117.15 2hgk h LEU 92 Ca 0.28 -0.08 -0.11 0.00 0.09 0.00 0.00 57.88 58.06 2hgk h LEU 92 Cb 0.15 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2hgk h LEU 92 CO -0.03 0.43 -0.33 0.40 0.09 0.00 0.00 178.44 179.00 2hgk h ILE 93 N 0.51 1.36 -0.55 1.22 2.04 -1.34 -2.49 117.51 118.26 2hgk h ILE 93 Ca 0.14 -1.61 -0.01 0.00 1.00 0.00 0.00 64.86 64.38 2hgk h ILE 93 Cb 0.05 2.03 -0.03 0.00 -0.74 0.00 0.00 36.82 38.13 2hgk h ILE 93 CO -0.02 0.48 0.29 -0.07 0.00 0.00 0.00 178.15 178.83 2hgk h LEU 94 N 0.09 0.70 -1.07 1.44 3.38 -0.15 0.32 115.31 120.02 2hgk h LEU 94 Ca -0.00 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 2hgk h LEU 94 Cb 0.94 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.47 2hgk h LEU 94 CO 0.07 0.61 0.42 0.00 0.09 0.00 0.00 178.44 179.63 2hgk h ALA 95 N 1.12 1.29 -0.42 1.53 0.00 -1.30 0.11 119.26 121.59 2hgk h ALA 95 Ca 0.19 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 2hgk h ALA 95 Cb 0.07 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2hgk h ALA 95 CO -0.03 0.58 -0.09 1.49 0.00 0.00 0.00 179.25 181.20 2hgk h GLU 96 N 1.08 0.81 -0.05 0.00 4.57 -0.89 -2.26 114.58 117.85 2hgk h GLU 96 Ca 0.27 -0.31 -0.00 0.00 -1.18 0.00 0.00 59.36 58.14 2hgk h GLU 96 Cb 0.03 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 28.57 2hgk h GLU 96 CO -0.04 0.93 0.02 -0.07 -1.18 0.00 0.00 179.01 178.67 2hgk h LEU 97 N 0.64 0.06 -1.04 1.64 3.38 0.26 -1.49 115.31 118.76 2hgk h LEU 97 Ca 0.11 -0.11 0.09 0.00 0.09 0.00 0.00 57.88 58.06 2hgk h LEU 97 Cb 0.62 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.28 2hgk h LEU 97 CO 0.04 0.15 0.63 -0.33 0.09 0.00 0.00 178.44 179.03 2hgk h GLU 98 N -0.04 1.04 -0.41 1.13 5.08 -0.80 0.43 114.58 121.02 2hgk h GLU 98 Ca 0.02 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 2hgk h GLU 98 Cb 0.11 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 2hgk h GLU 98 CO -0.00 0.69 0.07 -0.22 -1.00 0.00 0.00 179.01 178.54 2hgk h LYS 99 N 1.08 0.62 0.09 2.33 3.64 -1.02 -0.78 116.57 122.53 2hgk h LYS 99 Ca 0.45 -0.12 -0.25 0.00 -1.27 0.00 0.00 60.65 59.46 2hgk h LYS 99 Cb 0.31 -0.10 0.02 0.00 -0.41 0.00 0.00 32.23 32.06 2hgk h LYS 99 CO -0.20 0.59 -1.04 1.25 -2.27 0.00 0.00 179.45 177.77 2hgk h LEU 100 N 0.60 0.76 -0.95 5.20 5.85 0.00 -3.03 115.31 123.74 2hgk h LEU 100 Ca 0.13 -0.82 0.09 0.00 0.84 0.00 0.00 57.88 58.12 2hgk h LEU 100 Cb 0.28 -0.24 -0.07 0.00 0.37 0.00 0.00 40.66 41.00 2hgk h LEU 100 CO 0.00 1.50 0.60 0.44 -0.34 0.00 0.00 178.44 180.64 2hgk h ASP 101 N 0.11 0.91 0.75 1.25 3.32 0.05 -0.02 116.42 122.80 2hgk h ASP 101 Ca -0.16 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 56.89 2hgk h ASP 101 Cb 1.75 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 41.14 2hgk h ASP 101 CO 0.20 0.53 -0.17 0.00 -1.72 0.00 0.00 179.24 178.09 2hgk h ALA 102 N 1.48 1.09 -0.02 3.45 0.00 -1.18 -2.73 119.26 121.34 2hgk h ALA 102 Ca 0.44 -0.15 -0.20 0.00 0.00 0.00 0.00 54.91 55.00 2hgk h ALA 102 Cb 0.32 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 2hgk h ALA 102 CO -0.22 0.21 -0.85 -0.07 0.00 0.00 0.00 179.25 178.31 2hgk h LEU 103 N 0.00 0.44 0.00 0.00 3.38 -0.88 -2.97 115.31 115.28 2hgk h LEU 103 Ca -0.00 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.63 2hgk h LEU 103 Cb 0.59 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2hgk h LEU 103 CO 0.02 1.11 0.00 0.49 0.09 0.00 0.00 178.44 180.15 2hgk n PHE 104 N -3.75 0.00 -0.00 1.13 3.72 -0.93 -3.06 117.46 114.56 2hgk n PHE 104 Ca -0.05 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.34 2hgk n PHE 104 Cb 0.78 -0.42 -0.11 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 -1.42 1.95 -4.00 4.37 0.00 -1.12 -2.02 120.51 118.26 2hgk n ALA 105 Ca 0.09 -0.69 -0.31 0.00 0.00 0.00 0.00 53.44 52.53 2hgk n ALA 105 Cb 0.29 -0.78 -0.15 0.00 0.00 0.00 0.00 19.45 18.81 2hgk n ALA 105 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2hgk s ASP 106 N -5.57 4.68 -0.15 0.00 2.15 -1.13 -4.89 116.67 111.75 2hgk s ASP 106 Ca -0.05 -2.31 -0.02 0.00 0.43 0.00 0.00 52.55 50.60 2hgk s ASP 106 Cb 0.09 -1.62 -0.02 0.00 -0.30 0.00 0.00 42.92 41.06 2hgk s ASP 106 CO 0.83 -0.35 -0.07 -0.62 -0.17 0.00 0.00 175.17 174.78 2hgk s ASP 107 N 0.69 4.45 -0.80 -0.34 2.15 -1.26 -4.85 116.67 116.71 2hgk s ASP 107 Ca 0.12 -0.23 -0.24 0.00 0.43 0.00 0.00 52.55 52.64 2hgk s ASP 107 Cb -0.20 -1.71 0.06 0.00 -0.30 0.00 0.00 42.92 40.76 2hgk s ASP 107 CO -0.07 0.15 1.21 0.00 -0.17 0.00 0.00 175.17 176.29 2hgk s ALA 108 N 0.43 2.92 0.63 3.66 0.00 -1.26 -5.01 121.76 123.13 2hgk s ALA 108 Ca -0.06 -1.85 -0.07 0.00 0.00 0.00 0.00 51.96 49.98 2hgk s ALA 108 Cb -0.15 -4.18 0.02 0.00 0.00 0.00 0.00 23.12 18.81 2hgk s ALA 108 CO 0.04 -3.17 0.96 -1.12 0.00 0.00 0.00 175.76 172.46 2hgk s SER 109 N 3.97 5.42 -0.14 0.00 0.01 -1.26 -4.53 113.70 117.16 2hgk s SER 109 Ca 0.33 0.75 -0.11 0.00 1.31 0.00 0.00 55.95 58.24 2hgk s SER 109 Cb -0.09 -1.65 -0.07 0.00 0.21 0.00 0.00 66.02 64.43 2hgk s SER 109 CO 0.06 -1.21 0.02 -0.07 0.41 0.00 0.00 173.24 172.44 2hgk h LEU 110 N -0.35 0.00 -9.63 2.44 3.38 -2.01 -3.46 115.31 105.68 2hgk h LEU 110 Ca -0.45 -0.17 -0.51 0.00 0.09 0.00 0.00 57.88 56.83 2hgk h LEU 110 Cb 1.27 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 2hgk h LEU 110 CO 0.61 0.84 0.39 -0.70 0.09 0.00 0.00 178.44 179.67 2hgk s GLU 111 N -2.08 4.70 -0.08 1.13 2.12 -1.26 -5.05 118.70 118.18 2hgk s GLU 111 Ca -0.14 1.53 0.05 0.00 0.36 0.00 0.00 54.97 56.77 2hgk s GLU 111 Cb 0.02 -3.33 -0.00 0.00 0.26 0.00 0.00 34.13 31.07 2hgk s GLU 111 CO 0.27 0.24 -0.24 -1.01 -0.54 0.00 0.00 175.26 173.98 2hgk s HIS 112 N -0.31 2.48 0.29 5.30 3.76 -1.26 -5.01 115.29 120.54 2hgk s HIS 112 Ca 0.46 -0.92 -0.02 0.00 -0.15 0.00 0.00 55.06 54.43 2hgk s HIS 112 Cb -0.25 -1.65 0.41 0.00 1.11 0.00 0.00 32.58 32.20 2hgk s HIS 112 CO 0.32 -0.35 1.87 0.45 -0.85 0.00 0.00 174.74 176.19 2hgk h HIS 113 N 6.49 0.93 -4.27 1.40 -0.00 -1.96 -3.39 115.15 114.35 2hgk h HIS 113 Ca -0.24 -0.05 -0.69 0.00 -0.00 0.00 0.00 60.37 59.39 2hgk h HIS 113 Cb 1.22 -0.29 -0.26 0.00 -0.00 0.00 0.00 27.41 28.08 2hgk h HIS 113 CO 0.46 0.70 -0.84 -1.01 -0.00 0.00 0.00 177.93 177.23 2hgk s HIS 114 N -5.47 2.46 -2.00 2.45 3.76 -1.26 -5.01 115.29 110.22 2hgk s HIS 114 Ca -0.10 -0.33 0.09 0.00 -0.15 0.00 0.00 55.06 54.56 2hgk s HIS 114 Cb 0.16 -1.50 0.53 0.00 1.11 0.00 0.00 32.58 32.88 2hgk s HIS 114 CO 0.80 0.11 1.13 0.72 -0.85 0.00 0.00 174.74 176.66 2hgk n HIS 115 N 2.06 0.00 0.00 1.40 -0.00 -1.26 -4.25 115.22 113.17 2hgk n HIS 115 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.56 2hgk n HIS 115 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.51 2hgk n HIS 115 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2hgk n HIS 116 N -0.68 0.00 -1.83 4.41 8.25 -1.26 -5.10 115.22 119.00 2hgk n HIS 116 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 2hgk n HIS 116 Cb 0.03 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.14 2hgk n HIS 116 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70