#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 2.80 0.32 2.03 -4.23 -1.26 -4.93 115.64 110.38 2hgk s THR 2 Ca 0.00 0.26 0.00 0.00 -1.18 0.00 0.00 61.69 60.78 2hgk s THR 2 Cb 0.00 -2.67 0.27 0.00 1.34 0.00 0.00 72.50 71.44 2hgk s THR 2 CO 0.00 -0.34 1.97 0.74 -0.54 0.00 0.00 174.62 176.45 2hgk h THR 3 N -1.49 1.16 -0.60 3.99 2.02 -1.96 -2.82 112.91 113.22 2hgk h THR 3 Ca -0.47 -0.34 0.12 0.00 0.77 0.00 0.00 66.41 66.49 2hgk h THR 3 Cb 1.27 0.08 -0.09 0.00 -1.74 0.00 0.00 68.15 67.67 2hgk h THR 3 CO 0.52 0.18 0.07 0.45 0.37 0.00 0.00 175.52 177.11 2hgk h HIS 4 N 0.99 0.09 -0.53 3.16 -0.00 -1.93 0.60 115.15 117.53 2hgk h HIS 4 Ca 0.29 0.04 -0.07 0.00 -0.00 0.00 0.00 60.37 60.63 2hgk h HIS 4 Cb -0.04 0.05 -0.02 0.00 -0.00 0.00 0.00 27.41 27.40 2hgk h HIS 4 CO -0.00 -0.09 0.03 0.22 -0.00 0.00 0.00 177.93 178.09 2hgk h ASP 5 N 0.19 0.85 0.37 2.45 1.82 -1.86 -0.47 116.42 119.77 2hgk h ASP 5 Ca 0.31 -0.20 -0.14 0.00 -0.39 0.00 0.00 57.03 56.61 2hgk h ASP 5 Cb 0.49 -0.22 -0.01 0.00 0.68 0.00 0.00 39.33 40.26 2hgk h ASP 5 CO -0.45 0.89 -0.60 0.03 -1.61 0.00 0.00 179.24 177.50 2hgk h ARG 6 N 0.83 0.23 -0.48 0.28 3.08 -1.26 -0.73 114.38 116.33 2hgk h ARG 6 Ca 0.16 -0.16 -0.10 0.00 0.07 0.00 0.00 59.98 59.96 2hgk h ARG 6 Cb 0.45 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 2hgk h ARG 6 CO 0.02 0.76 -0.09 0.28 -1.07 0.00 0.00 179.97 179.88 2hgk h VAL 7 N 0.17 1.26 -0.74 2.04 2.07 -0.45 -0.38 116.25 120.22 2hgk h VAL 7 Ca -0.01 -1.17 0.00 0.00 0.82 0.00 0.00 66.70 66.35 2hgk h VAL 7 Cb 1.10 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 31.82 2hgk h VAL 7 CO 0.09 0.41 0.47 -0.09 0.02 0.00 0.00 177.57 178.47 2hgk h ARG 8 N 0.78 0.99 -0.51 1.57 2.43 -0.63 -0.52 114.38 118.48 2hgk h ARG 8 Ca 0.13 -0.07 -0.07 0.00 -0.81 0.00 0.00 59.98 59.16 2hgk h ARG 8 Cb 0.59 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 2hgk h ARG 8 CO 0.04 0.68 0.06 -0.07 -1.51 0.00 0.00 179.97 179.16 2hgk h LEU 9 N 1.00 0.78 -0.83 3.80 3.38 -0.80 -2.43 115.31 120.22 2hgk h LEU 9 Ca 0.27 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 2hgk h LEU 9 Cb -0.07 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.43 2hgk h LEU 9 CO -0.05 0.82 0.42 -0.61 0.09 0.00 0.00 178.44 179.10 2hgk h GLN 10 N 0.78 1.19 -0.95 1.13 5.75 -0.34 -1.26 115.11 121.42 2hgk h GLN 10 Ca 0.16 -0.16 -0.00 0.00 -0.15 0.00 0.00 58.65 58.49 2hgk h GLN 10 Cb 0.39 -0.22 -0.05 0.00 1.07 0.00 0.00 27.48 28.68 2hgk h GLN 10 CO 0.01 0.90 0.59 -0.07 -2.65 0.00 0.00 178.83 177.61 2hgk h LEU 11 N 1.18 1.12 -1.18 -2.39 3.38 -0.74 0.21 115.31 116.89 2hgk h LEU 11 Ca 0.29 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 58.14 2hgk h LEU 11 Cb 0.09 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 2hgk h LEU 11 CO -0.04 0.85 -0.06 1.56 0.09 0.00 0.00 178.44 180.85 2hgk h GLN 12 N 1.30 0.50 -0.41 1.13 4.20 -0.91 -0.46 115.11 120.45 2hgk h GLN 12 Ca 0.34 -0.12 -0.14 0.00 0.06 0.00 0.00 58.65 58.79 2hgk h GLN 12 Cb -0.08 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.62 2hgk h GLN 12 CO -0.07 0.57 -0.28 0.00 -0.67 0.00 0.00 178.83 178.39 2hgk h ALA 13 N 1.47 0.59 -0.96 3.87 0.00 -0.39 -2.39 119.26 121.45 2hgk h ALA 13 Ca 0.10 -0.41 0.01 0.00 0.00 0.00 0.00 54.91 54.61 2hgk h ALA 13 Cb 0.40 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 2hgk h ALA 13 CO 0.02 0.62 0.64 -0.07 0.00 0.00 0.00 179.25 180.45 2hgk h LEU 14 N 0.74 1.10 -0.55 0.00 3.38 -0.38 -0.76 115.31 118.84 2hgk h LEU 14 Ca 0.08 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.03 2hgk h LEU 14 Cb 0.86 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 2hgk h LEU 14 CO 0.08 0.80 0.36 -0.08 0.09 0.00 0.00 178.44 179.68 2hgk h GLU 15 N 1.30 0.72 -0.21 1.13 4.81 -0.95 0.00 114.58 121.38 2hgk h GLU 15 Ca 0.36 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.50 2hgk h GLU 15 Cb -0.14 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.07 2hgk h GLU 15 CO -0.08 0.47 -0.05 0.00 -0.73 0.00 0.00 179.01 178.62 2hgk h ALA 16 N 1.21 1.51 -0.38 2.92 0.00 -0.89 -1.18 119.26 122.45 2hgk h ALA 16 Ca 0.21 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 2hgk h ALA 16 Cb -0.07 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2hgk h ALA 16 CO -0.05 0.35 -0.16 1.25 0.00 0.00 0.00 179.25 180.64 2hgk h LEU 17 N 0.32 0.80 -0.01 0.00 5.85 -0.29 -2.37 115.31 119.61 2hgk h LEU 17 Ca 0.07 -0.39 0.00 0.00 0.84 0.00 0.00 57.88 58.40 2hgk h LEU 17 Cb 0.31 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.11 2hgk h LEU 17 CO 0.01 1.02 0.00 0.18 -0.34 0.00 0.00 178.44 179.31 2hgk n LEU 18 N -4.29 0.01 0.03 2.25 4.77 -0.09 -1.31 117.00 118.37 2hgk n LEU 18 Ca -0.02 0.50 -0.19 0.00 -0.03 0.00 0.00 56.01 56.28 2hgk n LEU 18 Cb 0.40 -0.50 -0.09 0.00 -2.33 0.00 0.00 43.42 40.90 2hgk n LEU 18 CO 0.44 -0.23 0.13 -0.09 -1.33 0.00 0.00 177.39 176.31 2hgk h ARG 19 N 0.00 0.68 0.31 3.23 2.43 -0.70 -1.42 114.38 118.91 2hgk h ARG 19 Ca 0.00 -0.69 -0.02 0.00 -0.81 0.00 0.00 59.98 58.46 2hgk h ARG 19 Cb 0.28 0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 2hgk h ARG 19 CO 0.00 1.28 -0.15 0.93 -1.51 0.00 0.00 179.97 180.52 2hgk h GLU 20 N 0.40 -0.40 -0.63 0.20 5.08 -1.13 -3.32 114.58 114.78 2hgk h GLU 20 Ca -0.11 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2hgk h GLU 20 Cb 1.62 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.96 2hgk h GLU 20 CO 0.19 -0.08 0.00 0.72 -1.00 0.00 0.00 179.01 178.84 2hgk n HIS 21 N -5.07 1.26 -4.05 4.33 8.25 -0.43 -5.02 115.22 114.49 2hgk n HIS 21 Ca -0.08 -0.49 0.00 0.00 -0.26 0.00 0.00 57.72 56.89 2hgk n HIS 21 Cb 0.26 -0.24 0.00 0.00 1.12 0.00 0.00 29.99 31.13 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 0.78 0.00 0.00 -0.41 6.02 -0.54 -4.86 117.38 118.38 2hgk n GLN 22 Ca 0.21 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.20 2hgk n GLN 22 Cb 0.77 0.00 0.00 0.00 1.02 0.00 0.00 30.24 32.03 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 2.90 0.00 -1.22 1.08 8.25 -1.26 -4.55 115.22 120.42 2hgk n HIS 23 Ca 0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.08 2hgk n HIS 23 Cb 0.00 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.08 2hgk n HIS 23 CO 0.00 0.00 0.00 1.87 0.64 0.00 0.00 176.34 178.85 2hgk n TRP 24 N 0.00 2.22 -3.82 4.41 -0.00 -1.25 -4.74 117.44 114.27 2hgk n TRP 24 Ca 0.00 -2.25 -0.30 0.00 -0.00 0.00 0.00 57.50 54.95 2hgk n TRP 24 Cb 0.00 -1.98 -0.14 0.00 -0.00 0.00 0.00 31.31 29.19 2hgk n TRP 24 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 177.69 178.72 2hgk s ARG 25 N 3.94 1.49 -0.00 5.87 1.81 -1.26 -4.91 118.95 125.88 2hgk s ARG 25 Ca 0.52 -2.13 0.02 0.00 -1.72 0.00 0.00 55.73 52.42 2hgk s ARG 25 Cb 0.14 -2.71 0.07 0.00 -0.45 0.00 0.00 34.95 32.00 2hgk s ARG 25 CO 0.02 -1.11 0.98 0.27 -0.68 0.00 0.00 175.30 174.77 2hgk n ASN 26 N 3.56 0.59 -0.30 0.23 6.94 -1.26 -3.59 115.26 121.43 2hgk n ASN 26 Ca 0.06 -2.02 0.07 0.00 -0.02 0.00 0.00 54.58 52.67 2hgk n ASN 26 Cb 0.35 -0.13 0.28 0.00 -2.36 0.00 0.00 39.78 37.92 2hgk n ASN 26 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 2hgk h ASP 27 N 0.43 0.83 -3.26 0.53 5.19 -1.98 -3.39 116.42 114.77 2hgk h ASP 27 Ca 0.00 0.02 -0.49 0.00 -0.62 0.00 0.00 57.03 55.95 2hgk h ASP 27 Cb 0.20 -0.15 -0.39 0.00 0.18 0.00 0.00 39.33 39.17 2hgk h ASP 27 CO 0.01 0.48 -0.77 -0.70 -3.12 0.00 0.00 179.24 175.14 2hgk s GLU 28 N -5.84 0.72 0.57 3.56 2.12 -1.24 -5.14 118.70 113.46 2hgk s GLU 28 Ca -0.11 -0.19 -0.18 0.00 0.36 0.00 0.00 54.97 54.84 2hgk s GLU 28 Cb 0.21 -1.60 -0.04 0.00 0.26 0.00 0.00 34.13 32.96 2hgk s GLU 28 CO 0.80 -0.47 1.12 -2.14 -0.54 0.00 0.00 175.26 174.03 2hgk s PRO 29 N 1.89 3.23 -0.58 4.30 0.02 -1.26 -5.00 135.00 137.60 2hgk s PRO 29 Ca 0.02 1.54 0.06 0.00 0.02 0.00 0.00 61.00 62.64 2hgk s PRO 29 Cb -0.15 -2.00 0.23 0.00 0.02 0.00 0.00 34.50 32.61 2hgk s PRO 29 CO -0.07 -0.93 0.63 1.04 -0.33 0.00 0.00 177.00 177.34 2hgk n GLN 30 N -1.58 1.85 -0.24 5.54 6.02 -1.26 -4.92 117.38 122.79 2hgk n GLN 30 Ca 0.11 -4.22 0.05 0.00 -0.01 0.00 0.00 57.00 52.93 2hgk n GLN 30 Cb 0.51 -2.00 0.30 0.00 1.02 0.00 0.00 30.24 30.07 2hgk n GLN 30 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 2hgk h PRO 31 N 4.46 0.87 0.00 -1.09 0.11 -1.99 0.31 132.00 134.67 2hgk h PRO 31 Ca 0.17 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.21 2hgk h PRO 31 Cb 0.74 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 31.65 2hgk h PRO 31 CO 0.70 0.57 -0.06 1.25 -0.21 0.00 0.00 178.00 180.26 2hgk h HIS 32 N 0.89 0.00 0.04 0.65 2.76 -2.00 -2.05 115.15 115.44 2hgk h HIS 32 Ca 0.35 0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.43 2hgk h HIS 32 Cb 0.23 0.00 0.01 0.00 1.55 0.00 0.00 27.41 29.19 2hgk h HIS 32 CO -0.00 0.06 -0.38 0.37 -1.30 0.00 0.00 177.93 176.67 2hgk h GLN 33 N 0.00 0.19 0.00 5.26 -0.00 -1.35 -3.27 115.11 115.94 2hgk h GLN 33 Ca -0.00 -0.26 0.00 0.00 -0.00 0.00 0.00 58.65 58.39 2hgk h GLN 33 Cb 0.12 0.09 0.00 0.00 0.00 0.00 0.00 27.48 27.69 2hgk h GLN 33 CO 0.01 1.04 0.00 1.19 0.00 0.00 0.00 178.83 181.07 2hgk n PHE 34 N -4.40 0.00 0.24 3.99 3.72 -1.01 -1.90 117.46 118.10 2hgk n PHE 34 Ca -0.11 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.43 2hgk n PHE 34 Cb 0.60 -0.24 0.33 0.00 -0.94 0.00 0.00 39.48 39.23 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 -3.12 4.37 2.35 -1.42 -3.42 115.58 114.33 2hgk h ASN 35 Ca 0.00 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.18 2hgk h ASN 35 Cb 0.17 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.50 2hgk h ASN 35 CO 0.00 0.00 1.12 -0.55 -1.65 0.00 0.00 177.43 176.35 2hgk s SER 36 N -6.04 6.25 -0.03 5.81 0.15 -0.80 -4.85 113.70 114.19 2hgk s SER 36 Ca 0.05 0.97 0.09 0.00 0.70 0.00 0.00 55.95 57.76 2hgk s SER 36 Cb 0.06 -2.54 0.31 0.00 -1.71 0.00 0.00 66.02 62.14 2hgk s SER 36 CO 0.63 -1.48 1.17 1.07 1.20 0.00 0.00 173.24 175.83 2hgk n THR 37 N 7.12 0.67 -3.36 6.45 5.66 -1.26 -4.80 114.28 124.76 2hgk n THR 37 Ca 0.18 -0.48 -0.27 0.00 -3.05 0.00 0.00 64.05 60.43 2hgk n THR 37 Cb 0.48 0.02 -0.02 0.00 -1.55 0.00 0.00 70.33 69.25 2hgk n THR 37 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2hgk s GLN 38 N -1.63 3.57 0.35 1.09 -2.07 -1.26 -5.06 119.66 114.65 2hgk s GLN 38 Ca 0.22 -0.13 -0.28 0.00 -1.82 0.00 0.00 55.36 53.34 2hgk s GLN 38 Cb 0.13 -2.66 -0.11 0.00 -1.09 0.00 0.00 33.01 29.28 2hgk s GLN 38 CO 0.12 0.20 1.40 -2.14 -1.32 0.00 0.00 175.29 173.54 2hgk s PRO 39 N -3.81 4.23 0.00 9.60 0.02 -1.26 -3.02 135.00 140.76 2hgk s PRO 39 Ca 0.42 2.39 0.00 0.00 0.02 0.00 0.00 61.00 63.83 2hgk s PRO 39 Cb -0.10 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.40 2hgk s PRO 39 CO 0.32 -0.36 0.00 1.19 -0.33 0.00 0.00 177.00 177.82 2hgk n PHE 40 N 0.65 0.00 -3.72 6.54 3.72 -1.26 -3.46 117.46 119.93 2hgk n PHE 40 Ca 0.01 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.13 2hgk n PHE 40 Cb 0.40 -0.58 0.03 0.00 -0.94 0.00 0.00 39.48 38.40 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 -2.00 -2.35 -0.34 1.38 3.72 -1.17 -4.18 117.46 112.53 2hgk n PHE 41 Ca 0.00 0.85 0.15 0.00 -0.05 0.00 0.00 57.45 58.40 2hgk n PHE 41 Cb 0.00 -4.14 0.37 0.00 -0.94 0.00 0.00 39.48 34.77 2hgk n PHE 41 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 2hgk h MET 42 N -2.05 0.65 -0.77 -1.08 2.86 -1.84 -0.89 114.93 111.82 2hgk h MET 42 Ca -0.56 -0.04 -0.20 0.00 -2.06 0.00 0.00 59.70 56.84 2hgk h MET 42 Cb 1.37 -0.15 -0.12 0.00 0.06 0.00 0.00 31.60 32.76 2hgk h MET 42 CO 0.63 0.43 0.25 -0.25 1.06 0.00 0.00 176.91 179.03 2hgk n ASP 43 N -4.73 4.74 -0.08 1.22 9.92 -1.26 -4.29 116.55 122.07 2hgk n ASP 43 Ca 0.23 -3.13 -0.08 0.00 -0.53 0.00 0.00 54.79 51.28 2hgk n ASP 43 Cb 0.63 -0.73 -0.03 0.00 -0.64 0.00 0.00 41.12 40.35 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 -0.08 1.42 0.00 -3.53 -2.24 -0.34 -5.07 114.28 104.45 2hgk n THR 44 Ca 0.38 0.17 0.00 0.00 -2.27 0.00 0.00 64.05 62.33 2hgk n THR 44 Cb 1.33 -2.28 0.00 0.00 -2.10 0.00 0.00 70.33 67.28 2hgk n THR 44 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 2hgk n MET 45 N -4.33 0.00 -4.06 -0.78 1.56 -1.25 -5.08 117.12 103.17 2hgk n MET 45 Ca -0.13 0.00 -0.13 0.00 -0.27 0.00 0.00 57.70 57.17 2hgk n MET 45 Cb 0.48 0.00 -0.12 0.00 2.15 0.00 0.00 33.22 35.73 2hgk n MET 45 CO 0.00 0.00 0.00 -1.21 -0.73 0.00 0.00 175.97 174.03 2hgk s GLU 46 N -1.00 0.48 0.30 2.12 2.02 -1.26 -5.03 118.70 116.32 2hgk s GLU 46 Ca 0.00 -0.66 0.23 0.00 0.02 0.00 0.00 54.97 54.56 2hgk s GLU 46 Cb 0.00 -0.26 1.09 0.00 0.10 0.00 0.00 34.13 35.06 2hgk s GLU 46 CO 0.00 0.05 1.70 -2.30 0.02 0.00 0.00 175.26 174.73 2hgk n PRO 47 N 1.69 0.18 0.11 0.39 -0.02 -1.26 -2.30 135.00 133.79 2hgk n PRO 47 Ca -0.21 0.53 0.12 0.00 -2.02 0.00 0.00 63.50 61.91 2hgk n PRO 47 Cb 0.55 -1.93 0.45 0.00 -0.02 0.00 0.00 33.50 32.56 2hgk n PRO 47 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2hgk n LEU 48 N -2.27 0.68 0.10 2.45 4.77 -1.26 -2.97 117.00 118.50 2hgk n LEU 48 Ca 0.00 0.62 0.12 0.00 -0.03 0.00 0.00 56.01 56.72 2hgk n LEU 48 Cb 0.14 -0.46 0.46 0.00 -2.33 0.00 0.00 43.42 41.23 2hgk n LEU 48 CO 0.15 -0.37 0.85 -0.62 -1.33 0.00 0.00 177.39 176.08 2hgk n GLU 49 N -2.20 0.18 0.10 3.23 -0.58 -0.97 -1.73 120.64 118.67 2hgk n GLU 49 Ca 0.04 0.34 -0.05 0.00 -0.42 0.00 0.00 57.16 57.07 2hgk n GLU 49 Cb 0.32 -1.80 0.07 0.00 -0.57 0.00 0.00 31.44 29.45 2hgk n GLU 49 CO 0.00 0.00 0.00 2.35 -0.48 0.00 0.00 177.13 179.00 2hgk h TRP 50 N 0.00 0.12 0.00 -0.32 7.01 -1.70 -2.92 115.95 118.14 2hgk h TRP 50 Ca 0.00 -0.06 -0.05 0.00 2.11 0.00 0.00 58.89 60.89 2hgk h TRP 50 Cb 0.44 -0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 27.48 2hgk h TRP 50 CO 0.00 0.80 -0.22 -0.07 -2.79 0.00 0.00 178.44 176.16 2hgk h LEU 51 N 0.06 0.00 0.30 0.65 3.38 -1.54 -2.19 115.31 115.96 2hgk h LEU 51 Ca -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2hgk h LEU 51 Cb 1.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.06 2hgk h LEU 51 CO 0.10 0.22 -0.30 -0.61 0.09 0.00 0.00 178.44 177.94 2hgk h GLN 52 N 0.00 -0.57 0.00 1.13 4.15 -1.30 -3.39 115.11 115.13 2hgk h GLN 52 Ca -0.00 0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.46 2hgk h GLN 52 Cb 1.06 0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.88 2hgk h GLN 52 CO 0.03 -0.38 0.00 1.87 -1.93 0.00 0.00 178.83 178.42 2hgk n TRP 53 N -4.19 0.00 0.00 3.99 -0.00 -1.26 -4.81 117.44 111.17 2hgk n TRP 53 Ca -0.07 -0.17 0.00 0.00 -0.00 0.00 0.00 57.50 57.26 2hgk n TRP 53 Cb 0.27 -0.02 0.00 0.00 -0.00 0.00 0.00 31.31 31.57 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 -0.17 0.00 0.07 5.87 0.31 -1.16 -4.56 118.33 118.69 2hgk n VAL 54 Ca 0.00 0.31 -0.15 0.00 -0.01 0.00 0.00 64.34 64.49 2hgk n VAL 54 Cb 0.39 -1.31 -0.09 0.00 -0.91 0.00 0.00 33.84 31.93 2hgk n VAL 54 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 2hgk h LEU 55 N 0.00 -1.55 0.59 7.52 5.85 -1.60 0.25 115.31 126.37 2hgk h LEU 55 Ca 0.00 0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.87 2hgk h LEU 55 Cb 0.00 0.59 0.01 0.00 0.37 0.00 0.00 40.66 41.63 2hgk h LEU 55 CO 0.00 -0.52 -0.28 0.40 -0.34 0.00 0.00 178.44 177.70 2hgk h ILE 56 N -0.67 0.42 -0.43 4.05 2.04 -1.86 -0.94 117.51 120.12 2hgk h ILE 56 Ca 0.02 -0.02 -0.09 0.00 1.00 0.00 0.00 64.86 65.77 2hgk h ILE 56 Cb 0.72 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 2hgk h ILE 56 CO -0.34 0.00 -0.08 -0.65 0.00 0.00 0.00 178.15 177.08 2hgk h PRO 57 N -0.81 0.81 -0.02 2.37 0.11 -1.78 -3.14 132.00 129.56 2hgk h PRO 57 Ca -0.08 -0.30 -0.16 0.00 0.11 0.00 0.00 66.00 65.56 2hgk h PRO 57 Cb 0.61 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.66 2hgk h PRO 57 CO 0.13 0.92 -0.74 -0.09 -0.21 0.00 0.00 178.00 178.02 2hgk h ARG 58 N 0.64 0.12 0.00 1.05 2.43 -0.51 -2.45 114.38 115.67 2hgk h ARG 58 Ca 0.11 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2hgk h ARG 58 Cb 0.61 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 2hgk h ARG 58 CO 0.04 0.80 0.00 0.52 -1.51 0.00 0.00 179.97 179.82 2hgk h MET 59 N 0.08 0.00 -0.44 0.20 2.86 -1.19 -1.94 114.93 114.50 2hgk h MET 59 Ca -0.02 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.54 2hgk h MET 59 Cb 1.30 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.94 2hgk h MET 59 CO 0.11 0.00 -0.07 0.45 1.06 0.00 0.00 176.91 178.45 2hgk h HIS 60 N 0.00 0.84 -0.39 -0.22 3.86 -1.38 0.19 115.15 118.05 2hgk h HIS 60 Ca 0.00 -0.14 -0.03 0.00 -1.16 0.00 0.00 60.37 59.04 2hgk h HIS 60 Cb 0.49 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 28.72 2hgk h HIS 60 CO 0.00 0.82 0.13 -0.44 0.86 0.00 0.00 177.93 179.30 2hgk h ASP 61 N 0.71 0.50 -0.04 2.45 5.19 -1.41 0.37 116.42 124.19 2hgk h ASP 61 Ca 0.13 -0.06 -0.11 0.00 -0.62 0.00 0.00 57.03 56.37 2hgk h ASP 61 Cb 0.54 -0.13 0.01 0.00 0.18 0.00 0.00 39.33 39.93 2hgk h ASP 61 CO 0.03 0.48 -0.39 0.25 -3.12 0.00 0.00 179.24 176.49 2hgk h LEU 62 N 0.55 0.42 0.02 1.55 5.85 -1.33 -3.19 115.31 119.18 2hgk h LEU 62 Ca 0.13 -0.70 -0.00 0.00 0.84 0.00 0.00 57.88 58.16 2hgk h LEU 62 Cb 0.15 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.06 2hgk h LEU 62 CO -0.01 1.05 -0.01 -0.07 -0.34 0.00 0.00 178.44 179.06 2hgk h LEU 63 N -0.18 -0.02 -1.93 2.25 3.38 -0.41 -0.69 115.31 117.71 2hgk h LEU 63 Ca -0.04 -0.71 -0.01 0.00 0.09 0.00 0.00 57.88 57.21 2hgk h LEU 63 Cb 1.07 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 2hgk h LEU 63 CO 0.08 0.79 -0.06 0.44 0.09 0.00 0.00 178.44 179.78 2hgk h ASP 64 N -0.93 0.00 -0.53 -0.43 3.32 -0.44 0.11 116.42 117.52 2hgk h ASP 64 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2hgk h ASP 64 Cb 0.73 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.28 2hgk h ASP 64 CO 0.00 0.06 0.00 0.59 -1.72 0.00 0.00 179.24 178.18 2hgk n ASN 65 N -3.30 3.03 -2.00 6.45 3.02 -1.21 -4.93 115.26 116.33 2hgk n ASN 65 Ca -0.01 -2.07 -0.19 0.00 -0.03 0.00 0.00 54.58 52.28 2hgk n ASN 65 Cb 0.24 -0.39 -0.03 0.00 -0.61 0.00 0.00 39.78 39.00 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 1.01 -1.47 -2.67 3.52 5.02 0.39 -4.95 118.16 119.01 2hgk n LYS 66 Ca 0.18 0.98 -0.37 0.00 -2.02 0.00 0.00 58.31 57.08 2hgk n LYS 66 Cb 0.50 -5.48 -0.05 0.00 -0.02 0.00 0.00 35.03 29.98 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 -4.62 4.43 0.21 1.97 -1.52 -0.27 -4.97 119.66 114.89 2hgk s GLN 67 Ca 0.00 1.42 -0.32 0.00 -1.95 0.00 0.00 55.36 54.51 2hgk s GLN 67 Cb 0.00 -2.72 -0.13 0.00 -0.22 0.00 0.00 33.01 29.94 2hgk s GLN 67 CO 0.00 0.12 1.58 -2.30 -0.25 0.00 0.00 175.29 174.44 2hgk n PRO 68 N 0.36 2.37 -2.67 2.91 -0.02 -1.26 -4.74 135.00 131.96 2hgk n PRO 68 Ca 0.03 0.85 -0.41 0.00 -2.02 0.00 0.00 63.50 61.95 2hgk n PRO 68 Cb 0.50 -2.62 -0.04 0.00 -0.02 0.00 0.00 33.50 31.32 2hgk n PRO 68 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2hgk s LEU 69 N 0.55 4.46 -0.32 2.45 1.43 -1.26 -4.97 118.68 121.02 2hgk s LEU 69 Ca 0.73 1.82 -0.28 0.00 -1.03 0.00 0.00 54.13 55.37 2hgk s LEU 69 Cb -0.60 -3.59 -0.03 0.00 0.03 0.00 0.00 46.19 42.00 2hgk s LEU 69 CO 0.41 -0.17 2.01 -2.16 0.23 0.00 0.00 176.35 176.67 2hgk s PRO 70 N 0.27 3.12 0.00 1.29 0.04 -1.26 -4.56 135.00 133.90 2hgk s PRO 70 Ca 0.49 1.60 -0.04 0.00 0.04 0.00 0.00 61.00 63.10 2hgk s PRO 70 Cb -0.24 -4.31 -0.18 0.00 0.04 0.00 0.00 34.50 29.82 2hgk s PRO 70 CO 0.30 -2.12 2.85 0.41 0.04 0.00 0.00 177.00 178.49 2hgk n GLY 71 N 5.61 2.61 0.56 0.56 0.00 -1.25 -2.45 105.19 110.84 2hgk n GLY 71 Ca 0.26 -0.79 -0.01 0.00 0.00 0.00 0.00 46.02 45.48 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 2.32 2.11 -2.62 4.61 0.00 -1.26 -4.87 120.51 120.80 2hgk n ALA 72 Ca 0.28 -0.13 -0.41 0.00 0.00 0.00 0.00 53.44 53.18 2hgk n ALA 72 Cb 0.71 -0.07 -0.07 0.00 0.00 0.00 0.00 19.45 20.02 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 3.26 -0.11 0.00 5.36 -1.02 -5.03 117.98 120.44 2hgk s PHE 73 Ca 0.00 0.74 -0.04 0.00 -0.96 0.00 0.00 56.93 56.67 2hgk s PHE 73 Cb 0.00 -2.86 0.05 0.00 -0.34 0.00 0.00 43.02 39.88 2hgk s PHE 73 CO 0.00 -0.35 0.17 0.00 -1.46 0.00 0.00 175.22 173.58 2hgk s ALA 74 N 2.50 -0.18 -0.03 11.12 0.00 -1.26 -4.64 121.76 129.27 2hgk s ALA 74 Ca 0.25 0.51 0.11 0.00 0.00 0.00 0.00 51.96 52.83 2hgk s ALA 74 Cb -0.15 -0.91 -0.17 0.00 0.00 0.00 0.00 23.12 21.89 2hgk s ALA 74 CO 0.09 -0.68 0.25 1.33 0.00 0.00 0.00 175.76 176.75 2hgk n VAL 75 N 5.32 0.00 0.05 0.00 0.24 -1.26 -4.69 118.33 117.99 2hgk n VAL 75 Ca -0.05 -0.25 -0.11 0.00 -2.04 0.00 0.00 64.34 61.89 2hgk n VAL 75 Cb 0.50 0.27 -0.05 0.00 -1.47 0.00 0.00 33.84 33.09 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 1.02 -0.09 -0.16 2.33 0.00 -1.93 -2.06 119.26 118.36 2hgk h ALA 76 Ca 0.00 0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.97 2hgk h ALA 76 Cb 0.49 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2hgk h ALA 76 CO 0.00 -0.58 0.14 -1.00 0.00 0.00 0.00 179.25 177.81 2hgk h PRO 77 N -0.15 0.00 0.10 0.00 0.13 -1.98 0.38 132.00 130.48 2hgk h PRO 77 Ca 0.04 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.16 2hgk h PRO 77 Cb 0.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.33 2hgk h PRO 77 CO -0.10 0.00 -0.05 -0.92 -0.23 0.00 0.00 178.00 176.70 2hgk h TYR 78 N 0.00 -0.12 0.00 1.56 3.20 -1.68 -3.21 116.97 116.72 2hgk h TYR 78 Ca 0.08 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.94 2hgk h TYR 78 Cb 0.35 0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.66 2hgk h TYR 78 CO 0.00 0.39 0.00 1.88 -1.64 0.00 0.00 178.16 178.79 2hgk h TYR 79 N -0.77 0.00 0.00 -3.82 0.05 -0.97 0.34 116.97 111.79 2hgk h TYR 79 Ca -0.01 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.74 2hgk h TYR 79 Cb 0.57 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.30 2hgk h TYR 79 CO 0.11 0.00 -0.14 1.49 -1.05 0.00 0.00 178.16 178.57 2hgk h GLU 80 N 0.00 0.00 0.01 4.88 4.22 -0.98 -0.05 114.58 122.65 2hgk h GLU 80 Ca 0.00 0.00 -0.40 0.00 0.08 0.00 0.00 59.36 59.04 2hgk h GLU 80 Cb 0.67 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.85 2hgk h GLU 80 CO 0.00 0.14 -2.45 -0.12 -2.18 0.00 0.00 179.01 174.40 2hgk n MET 81 N -3.78 0.65 -0.16 1.92 1.56 -0.60 -4.58 117.12 112.13 2hgk n MET 81 Ca -0.02 0.17 -0.11 0.00 -0.27 0.00 0.00 57.70 57.48 2hgk n MET 81 Cb 0.24 -1.53 -0.00 0.00 2.15 0.00 0.00 33.22 34.08 2hgk n MET 81 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2hgk h ALA 82 N -0.10 0.66 -2.61 -5.12 0.00 -0.31 -3.42 119.26 108.37 2hgk h ALA 82 Ca -0.58 -0.33 -0.57 0.00 0.00 0.00 0.00 54.91 53.43 2hgk h ALA 82 Cb 1.88 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 19.43 2hgk h ALA 82 CO -0.11 0.54 0.16 -0.51 0.00 0.00 0.00 179.25 179.32 2hgk s LEU 83 N -9.26 4.25 0.32 0.00 1.43 -0.04 -5.01 118.68 110.38 2hgk s LEU 83 Ca -0.12 1.11 -0.29 0.00 -1.03 0.00 0.00 54.13 53.80 2hgk s LEU 83 Cb 0.12 -3.07 -0.11 0.00 0.03 0.00 0.00 46.19 43.15 2hgk s LEU 83 CO 0.84 -0.21 1.45 0.00 0.23 0.00 0.00 176.35 178.67 2hgk s ALA 84 N 1.30 3.60 0.52 4.21 0.00 -1.26 -4.81 121.76 125.32 2hgk s ALA 84 Ca 0.36 1.45 0.17 0.00 0.00 0.00 0.00 51.96 53.94 2hgk s ALA 84 Cb -0.17 -3.57 1.29 0.00 0.00 0.00 0.00 23.12 20.66 2hgk s ALA 84 CO 0.15 -0.88 2.13 1.15 0.00 0.00 0.00 175.76 178.31 2hgk h THR 85 N 3.19 0.96 -0.02 0.00 2.02 -1.93 -0.83 112.91 116.29 2hgk h THR 85 Ca -0.49 -0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.69 2hgk h THR 85 Cb 1.23 0.96 0.00 0.00 -1.74 0.00 0.00 68.15 68.59 2hgk h THR 85 CO 0.70 0.00 0.00 0.47 0.37 0.00 0.00 175.52 177.06 2hgk n ASP 86 N -4.51 0.31 -4.03 4.18 9.92 -1.26 -4.34 116.55 116.82 2hgk n ASP 86 Ca -0.01 -2.01 -0.33 0.00 -0.53 0.00 0.00 54.79 51.91 2hgk n ASP 86 Cb 0.17 -0.10 -0.12 0.00 -0.64 0.00 0.00 41.12 40.43 2hgk n ASP 86 CO 0.00 0.00 0.00 -2.28 0.13 0.00 0.00 177.20 175.05 2hgk s HIS 87 N -1.80 3.30 -0.32 1.24 2.46 -0.32 -4.97 115.29 114.88 2hgk s HIS 87 Ca 0.02 -2.94 0.18 0.00 0.47 0.00 0.00 55.06 52.78 2hgk s HIS 87 Cb 0.01 -3.02 0.96 0.00 -0.13 0.00 0.00 32.58 30.40 2hgk s HIS 87 CO 0.01 -0.79 1.53 -2.30 -2.47 0.00 0.00 174.74 170.72 2hgk n PRO 88 N 3.28 0.11 0.21 2.88 -0.02 -1.26 -1.09 135.00 139.10 2hgk n PRO 88 Ca 0.07 0.61 0.15 0.00 -2.02 0.00 0.00 63.50 62.31 2hgk n PRO 88 Cb 0.35 -1.89 0.61 0.00 -0.02 0.00 0.00 33.50 32.55 2hgk n PRO 88 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2hgk h GLN 89 N 0.00 0.00 0.00 -0.52 4.20 -1.94 -3.04 115.11 113.82 2hgk h GLN 89 Ca 0.00 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 2hgk h GLN 89 Cb 0.03 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.81 2hgk h GLN 89 CO 0.00 0.00 -0.15 0.07 -0.67 0.00 0.00 178.83 178.08 2hgk h ARG 90 N 0.00 0.00 -0.13 1.46 0.11 -1.45 -2.94 114.38 111.42 2hgk h ARG 90 Ca 0.00 0.00 0.02 0.00 0.10 0.00 0.00 59.98 60.10 2hgk h ARG 90 Cb 0.40 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.46 2hgk h ARG 90 CO 0.00 0.15 0.01 0.00 0.10 0.00 0.00 179.97 180.22 2hgk h ALA 91 N 1.85 0.12 -0.56 0.08 0.00 -1.76 0.37 119.26 119.36 2hgk h ALA 91 Ca -0.00 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2hgk h ALA 91 Cb 0.60 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 2hgk h ALA 91 CO 0.02 -0.44 0.21 -0.07 0.00 0.00 0.00 179.25 178.96 2hgk h LEU 92 N 0.06 0.75 0.07 0.00 3.38 -1.74 -0.29 115.31 117.54 2hgk h LEU 92 Ca 0.06 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 2hgk h LEU 92 Cb 0.07 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.62 2hgk h LEU 92 CO -0.10 0.69 -0.03 0.40 0.09 0.00 0.00 178.44 179.49 2hgk h ILE 93 N 0.81 1.16 -0.65 1.22 2.04 -1.38 -2.71 117.51 118.00 2hgk h ILE 93 Ca 0.19 -0.83 0.02 0.00 1.00 0.00 0.00 64.86 65.24 2hgk h ILE 93 Cb 0.19 1.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.93 2hgk h ILE 93 CO -0.02 0.21 0.43 -0.07 0.00 0.00 0.00 178.15 178.70 2hgk h LEU 94 N -0.47 0.71 -0.07 1.44 3.38 -0.03 0.91 115.31 121.18 2hgk h LEU 94 Ca -0.01 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.96 2hgk h LEU 94 Cb 0.41 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 2hgk h LEU 94 CO 0.02 0.50 -0.04 0.00 0.09 0.00 0.00 178.44 179.01 2hgk h ALA 95 N 1.61 0.02 0.00 1.53 0.00 -1.00 -0.21 119.26 121.22 2hgk h ALA 95 Ca 0.25 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.11 2hgk h ALA 95 Cb -0.02 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2hgk h ALA 95 CO -0.06 -0.51 -0.35 0.93 0.00 0.00 0.00 179.25 179.25 2hgk h GLU 96 N -0.04 0.00 0.17 0.00 4.39 -1.02 -1.47 114.58 116.62 2hgk h GLU 96 Ca 0.04 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 2hgk h GLU 96 Cb 0.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 2hgk h GLU 96 CO -0.09 0.35 -0.08 -0.07 -1.16 0.00 0.00 179.01 177.96 2hgk h LEU 97 N 0.00 -0.20 -1.97 1.33 3.38 -0.38 -0.99 115.31 116.49 2hgk h LEU 97 Ca -0.00 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.67 2hgk h LEU 97 Cb 0.87 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 2hgk h LEU 97 CO 0.05 0.27 0.07 -0.33 0.09 0.00 0.00 178.44 178.59 2hgk h GLU 98 N -0.72 0.04 0.00 1.13 4.39 -1.04 0.29 114.58 118.67 2hgk h GLU 98 Ca -0.02 -0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.59 2hgk h GLU 98 Cb 0.50 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 2hgk h GLU 98 CO 0.04 0.03 -0.39 -0.22 -1.16 0.00 0.00 179.01 177.31 2hgk h LYS 99 N 0.05 0.00 0.06 2.33 3.64 -1.09 -2.57 116.57 118.98 2hgk h LYS 99 Ca 0.05 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.12 2hgk h LYS 99 Cb 0.13 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 2hgk h LYS 99 CO -0.00 0.39 -1.66 -0.11 -2.27 0.00 0.00 179.45 175.80 2hgk n LEU 100 N -3.91 2.23 -0.28 5.20 7.94 -0.15 -4.02 117.00 124.00 2hgk n LEU 100 Ca -0.01 0.32 0.10 0.00 -1.11 0.00 0.00 56.01 55.31 2hgk n LEU 100 Cb 0.44 -1.03 0.35 0.00 0.53 0.00 0.00 43.42 43.71 2hgk n LEU 100 CO 0.38 0.55 1.22 0.44 -1.11 0.00 0.00 177.39 178.88 2hgk h ASP 101 N -0.51 0.71 0.38 1.96 3.32 -0.54 0.13 116.42 121.88 2hgk h ASP 101 Ca -0.40 0.04 -0.06 0.00 0.02 0.00 0.00 57.03 56.63 2hgk h ASP 101 Cb 1.65 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 41.09 2hgk h ASP 101 CO -0.09 0.37 -0.28 0.00 -1.72 0.00 0.00 179.24 177.52 2hgk h ALA 102 N 1.59 1.38 0.01 3.45 0.00 -1.63 -2.97 119.26 121.09 2hgk h ALA 102 Ca 0.45 -0.26 -0.22 0.00 0.00 0.00 0.00 54.91 54.88 2hgk h ALA 102 Cb 0.63 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 2hgk h ALA 102 CO -0.21 0.36 -0.93 -0.07 0.00 0.00 0.00 179.25 178.39 2hgk h LEU 103 N 0.00 0.39 -1.83 0.00 3.38 -0.88 -2.36 115.31 114.00 2hgk h LEU 103 Ca -0.00 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.62 2hgk h LEU 103 Cb 0.55 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 2hgk h LEU 103 CO 0.04 1.13 -0.11 -0.26 0.09 0.00 0.00 178.44 179.33 2hgk h PHE 104 N 0.16 0.00 -0.02 1.13 -1.00 -1.29 -0.62 116.94 115.29 2hgk h PHE 104 Ca -0.07 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.71 2hgk h PHE 104 Cb 1.57 0.00 0.00 0.00 3.61 0.00 0.00 35.95 41.13 2hgk h PHE 104 CO 0.04 0.11 -0.09 0.00 -1.61 0.00 0.00 178.31 176.76 2hgk n ALA 105 N -2.23 2.69 -0.02 2.45 0.00 -1.14 -3.85 120.51 118.41 2hgk n ALA 105 Ca -0.01 -0.61 -0.15 0.00 0.00 0.00 0.00 53.44 52.67 2hgk n ALA 105 Cb 0.26 -0.90 -0.14 0.00 0.00 0.00 0.00 19.45 18.67 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 0.77 1.41 -4.81 0.00 2.03 -0.27 -4.92 116.55 110.75 2hgk n ASP 106 Ca 0.14 0.26 -0.29 0.00 0.52 0.00 0.00 54.79 55.42 2hgk n ASP 106 Cb 0.51 -0.35 0.11 0.00 -0.72 0.00 0.00 41.12 40.68 2hgk n ASP 106 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2hgk s ASP 107 N -6.48 4.00 -0.29 1.67 -1.08 -1.03 -4.96 116.67 108.51 2hgk s ASP 107 Ca -0.15 1.04 -0.03 0.00 -0.52 0.00 0.00 52.55 52.89 2hgk s ASP 107 Cb 0.07 -1.66 0.04 0.00 -1.46 0.00 0.00 42.92 39.91 2hgk s ASP 107 CO 0.79 -2.25 0.02 0.00 0.52 0.00 0.00 175.17 174.24 2hgk s ALA 108 N -3.29 2.86 -0.24 3.66 0.00 -1.26 -4.95 121.76 118.54 2hgk s ALA 108 Ca 0.62 -1.64 0.01 0.00 0.00 0.00 0.00 51.96 50.96 2hgk s ALA 108 Cb -0.14 -1.97 0.06 0.00 0.00 0.00 0.00 23.12 21.08 2hgk s ALA 108 CO 0.53 -1.12 -0.05 -1.54 0.00 0.00 0.00 175.76 173.58 2hgk s SER 109 N 1.33 3.88 0.56 0.00 1.04 -1.26 -4.78 113.70 114.47 2hgk s SER 109 Ca -0.02 -1.21 -0.19 0.00 0.48 0.00 0.00 55.95 55.02 2hgk s SER 109 Cb -0.19 -1.19 -0.05 0.00 0.10 0.00 0.00 66.02 64.70 2hgk s SER 109 CO -0.01 -0.24 1.12 -0.76 0.98 0.00 0.00 173.24 174.33 2hgk s LEU 110 N 1.39 3.70 0.40 2.42 1.02 -1.26 -4.93 118.68 121.41 2hgk s LEU 110 Ca -0.05 2.13 0.13 0.00 0.02 0.00 0.00 54.13 56.35 2hgk s LEU 110 Cb -0.19 -4.57 0.83 0.00 0.02 0.00 0.00 46.19 42.28 2hgk s LEU 110 CO -0.06 -1.25 1.90 1.05 0.02 0.00 0.00 176.35 178.00 2hgk h GLU 111 N 1.03 0.02 -1.98 1.70 4.11 -2.01 -3.46 114.58 114.00 2hgk h GLU 111 Ca -0.49 -0.01 -0.38 0.00 0.07 0.00 0.00 59.36 58.55 2hgk h GLU 111 Cb 1.26 -0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.43 2hgk h GLU 111 CO 0.57 0.30 -0.43 0.72 0.07 0.00 0.00 179.01 180.24 2hgk n HIS 112 N -4.20 -0.54 0.03 2.06 8.25 -1.26 -4.88 115.22 114.69 2hgk n HIS 112 Ca -0.02 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.42 2hgk n HIS 112 Cb 0.33 -3.48 0.26 0.00 1.12 0.00 0.00 29.99 28.22 2hgk n HIS 112 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2hgk h HIS 113 N 0.00 0.47 -3.41 4.41 6.17 -2.03 -3.40 115.15 117.35 2hgk h HIS 113 Ca -0.42 -0.08 -0.59 0.00 0.71 0.00 0.00 60.37 59.99 2hgk h HIS 113 Cb 1.29 -0.12 -0.10 0.00 2.52 0.00 0.00 27.41 31.00 2hgk h HIS 113 CO 0.51 0.59 -0.11 -1.58 0.71 0.00 0.00 177.93 178.05 2hgk s HIS 114 N -4.62 3.43 -0.04 5.26 2.46 -1.26 -5.06 115.29 115.45 2hgk s HIS 114 Ca -0.07 0.78 -0.01 0.00 0.47 0.00 0.00 55.06 56.23 2hgk s HIS 114 Cb 0.14 -2.59 -0.04 0.00 -0.13 0.00 0.00 32.58 29.97 2hgk s HIS 114 CO 0.77 0.02 0.05 -1.01 -2.47 0.00 0.00 174.74 172.10 2hgk s HIS 115 N 1.18 3.24 -0.17 3.88 3.76 -1.26 -5.09 115.29 120.82 2hgk s HIS 115 Ca 0.24 0.21 -0.06 0.00 -0.15 0.00 0.00 55.06 55.30 2hgk s HIS 115 Cb -0.15 -1.76 0.08 0.00 1.11 0.00 0.00 32.58 31.86 2hgk s HIS 115 CO 0.09 0.53 0.35 -1.01 -0.85 0.00 0.00 174.74 173.85 2hgk s HIS 116 N -1.05 -0.63 0.00 1.40 3.76 -1.26 -5.26 115.29 112.25 2hgk s HIS 116 Ca 0.18 1.22 0.00 0.00 -0.15 0.00 0.00 55.06 56.31 2hgk s HIS 116 Cb -0.12 0.13 0.00 0.00 1.11 0.00 0.00 32.58 33.70 2hgk s HIS 116 CO 0.08 -0.45 0.00 1.58 -0.85 0.00 0.00 174.74 175.11