#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 0.22 2.03 -4.23 -1.26 -4.96 115.64 107.44 2hgk s THR 2 Ca 0.00 -1.66 -0.08 0.00 -1.18 0.00 0.00 61.69 58.77 2hgk s THR 2 Cb 0.00 -2.67 0.19 0.00 1.34 0.00 0.00 72.50 71.36 2hgk s THR 2 CO 0.00 0.00 1.85 0.74 -0.54 0.00 0.00 174.62 176.67 2hgk h THR 3 N 2.07 1.25 -0.53 3.99 2.02 -1.99 -0.97 112.91 118.74 2hgk h THR 3 Ca -0.27 -0.59 0.08 0.00 0.77 0.00 0.00 66.41 66.40 2hgk h THR 3 Cb 1.24 0.07 -0.07 0.00 -1.74 0.00 0.00 68.15 67.65 2hgk h THR 3 CO 0.38 0.27 0.17 0.45 0.37 0.00 0.00 175.52 177.15 2hgk h HIS 4 N 1.19 0.28 -0.74 3.16 -0.00 -1.94 -0.28 115.15 116.83 2hgk h HIS 4 Ca 0.30 0.03 0.01 0.00 -0.00 0.00 0.00 60.37 60.71 2hgk h HIS 4 Cb 0.00 -0.05 -0.04 0.00 -0.00 0.00 0.00 27.41 27.33 2hgk h HIS 4 CO 0.00 0.06 0.48 0.22 -0.00 0.00 0.00 177.93 178.70 2hgk h ASP 5 N 0.33 0.85 0.28 2.45 1.82 -1.74 -0.90 116.42 119.51 2hgk h ASP 5 Ca 0.26 -0.03 -0.07 0.00 -0.39 0.00 0.00 57.03 56.80 2hgk h ASP 5 Cb 0.32 -0.21 -0.01 0.00 0.68 0.00 0.00 39.33 40.11 2hgk h ASP 5 CO -0.29 0.63 -0.32 0.03 -1.61 0.00 0.00 179.24 177.67 2hgk h ARG 6 N 1.00 0.07 -0.36 0.28 3.08 -0.38 0.66 114.38 118.73 2hgk h ARG 6 Ca 0.27 -0.03 -0.11 0.00 0.07 0.00 0.00 59.98 60.18 2hgk h ARG 6 Cb -0.10 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 2hgk h ARG 6 CO -0.06 0.39 -0.24 0.28 -1.07 0.00 0.00 179.97 179.28 2hgk h VAL 7 N 0.06 1.27 -0.52 2.04 2.07 -0.33 0.17 116.25 121.01 2hgk h VAL 7 Ca 0.01 -1.33 -0.02 0.00 0.82 0.00 0.00 66.70 66.17 2hgk h VAL 7 Cb 0.61 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 2hgk h VAL 7 CO 0.04 0.44 0.25 -0.09 0.02 0.00 0.00 177.57 178.23 2hgk h ARG 8 N 0.62 0.75 -0.35 1.57 2.43 -0.08 -0.14 114.38 119.19 2hgk h ARG 8 Ca 0.09 -0.11 -0.06 0.00 -0.81 0.00 0.00 59.98 59.09 2hgk h ARG 8 Cb 0.73 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.13 2hgk h ARG 8 CO 0.06 0.62 -0.02 -0.07 -1.51 0.00 0.00 179.97 179.05 2hgk h LEU 9 N 0.69 0.52 -0.82 3.80 3.38 -0.64 -2.43 115.31 119.81 2hgk h LEU 9 Ca 0.18 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 2hgk h LEU 9 Cb 0.12 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2hgk h LEU 9 CO -0.02 0.60 0.04 -0.61 0.09 0.00 0.00 178.44 178.54 2hgk h GLN 10 N 0.52 0.93 -0.81 1.13 5.75 0.04 0.16 115.11 122.82 2hgk h GLN 10 Ca 0.11 -0.25 0.00 0.00 -0.15 0.00 0.00 58.65 58.36 2hgk h GLN 10 Cb 0.37 -0.11 -0.04 0.00 1.07 0.00 0.00 27.48 28.77 2hgk h GLN 10 CO 0.01 0.89 0.52 -0.07 -2.65 0.00 0.00 178.83 177.54 2hgk h LEU 11 N 0.86 0.94 -0.57 -2.39 3.38 -0.59 0.38 115.31 117.33 2hgk h LEU 11 Ca 0.17 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.98 2hgk h LEU 11 Cb 0.45 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2hgk h LEU 11 CO 0.02 0.69 -0.17 1.56 0.09 0.00 0.00 178.44 180.63 2hgk h GLN 12 N 1.10 0.97 -0.45 1.13 4.20 -1.02 -1.10 115.11 119.94 2hgk h GLN 12 Ca 0.29 -0.38 -0.10 0.00 0.06 0.00 0.00 58.65 58.53 2hgk h GLN 12 Cb -0.11 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.61 2hgk h GLN 12 CO -0.06 1.05 -0.09 0.00 -0.67 0.00 0.00 178.83 179.06 2hgk h ALA 13 N 0.95 0.61 -0.81 3.87 0.00 -0.18 -1.90 119.26 121.81 2hgk h ALA 13 Ca 0.12 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 2hgk h ALA 13 Cb 0.73 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 2hgk h ALA 13 CO 0.06 0.49 0.34 1.25 0.00 0.00 0.00 179.25 181.38 2hgk h LEU 14 N 0.68 1.11 -0.21 0.00 5.85 -0.15 -0.35 115.31 122.24 2hgk h LEU 14 Ca 0.11 -0.17 0.04 0.00 0.84 0.00 0.00 57.88 58.71 2hgk h LEU 14 Cb 0.63 -0.29 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 2hgk h LEU 14 CO 0.04 0.97 -0.03 -0.08 -0.34 0.00 0.00 178.44 179.00 2hgk h GLU 15 N 1.17 0.03 -0.55 1.25 4.81 -0.99 0.13 114.58 120.44 2hgk h GLU 15 Ca 0.27 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.45 2hgk h GLU 15 Cb 0.20 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 2hgk h GLU 15 CO -0.02 0.02 0.13 0.00 -0.73 0.00 0.00 179.01 178.40 2hgk h ALA 16 N 1.19 1.19 0.02 2.92 0.00 -0.96 0.21 119.26 123.83 2hgk h ALA 16 Ca 0.10 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2hgk h ALA 16 Cb 0.14 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2hgk h ALA 16 CO -0.19 0.55 -0.01 1.25 0.00 0.00 0.00 179.25 180.85 2hgk h LEU 17 N 0.82 -0.02 -1.00 0.00 5.85 -0.56 -0.90 115.31 119.49 2hgk h LEU 17 Ca 0.18 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 2hgk h LEU 17 Cb 0.31 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 2hgk h LEU 17 CO -0.00 0.14 0.50 -0.07 -0.34 0.00 0.00 178.44 178.67 2hgk h LEU 18 N -0.18 1.06 0.05 2.25 3.38 -0.46 -0.23 115.31 121.19 2hgk h LEU 18 Ca -0.00 -0.08 0.03 0.00 0.09 0.00 0.00 57.88 57.92 2hgk h LEU 18 Cb 0.17 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.60 2hgk h LEU 18 CO 0.00 0.84 -0.40 -0.09 0.09 0.00 0.00 178.44 178.88 2hgk h ARG 19 N 1.21 -0.57 -0.47 1.13 2.43 -0.34 0.48 114.38 118.24 2hgk h ARG 19 Ca 0.31 0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.43 2hgk h ARG 19 Cb -0.01 0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 2hgk h ARG 19 CO -0.05 -0.38 -0.05 0.93 -1.51 0.00 0.00 179.97 178.90 2hgk h GLU 20 N -0.59 0.82 -0.50 0.20 5.08 -0.78 -1.90 114.58 116.90 2hgk h GLU 20 Ca 0.04 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 2hgk h GLU 20 Cb 0.65 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.82 2hgk h GLU 20 CO -0.27 0.86 0.00 0.72 -1.00 0.00 0.00 179.01 179.31 2hgk n HIS 21 N -4.19 0.24 -3.11 4.33 8.25 -0.13 -4.86 115.22 115.75 2hgk n HIS 21 Ca 0.02 -0.10 -0.22 0.00 -0.26 0.00 0.00 57.72 57.16 2hgk n HIS 21 Cb 0.34 -0.08 0.02 0.00 1.12 0.00 0.00 29.99 31.39 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 -0.03 -4.38 -0.41 -0.41 6.02 -0.65 -4.85 117.38 112.68 2hgk n GLN 22 Ca 0.04 0.77 0.07 0.00 -0.01 0.00 0.00 57.00 57.88 2hgk n GLN 22 Cb 0.24 -5.59 0.18 0.00 1.02 0.00 0.00 30.24 26.10 2hgk n GLN 22 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2hgk n HIS 23 N -4.32 0.05 -3.78 1.08 8.25 0.16 -4.90 115.22 111.76 2hgk n HIS 23 Ca -0.09 -1.31 -0.36 0.00 -0.26 0.00 0.00 57.72 55.71 2hgk n HIS 23 Cb 0.60 -0.22 -0.11 0.00 1.12 0.00 0.00 29.99 31.37 2hgk n HIS 23 CO 0.00 0.00 0.00 -0.46 0.64 0.00 0.00 176.34 176.52 2hgk s TRP 24 N -3.10 3.55 0.34 4.41 -0.00 -1.07 -4.77 118.94 118.30 2hgk s TRP 24 Ca 0.36 -2.54 0.09 0.00 -0.00 0.00 0.00 56.10 54.02 2hgk s TRP 24 Cb 0.34 -3.20 -0.06 0.00 -0.00 0.00 0.00 33.47 30.55 2hgk s TRP 24 CO -0.03 -0.94 -0.09 -0.98 -0.00 0.00 0.00 176.95 174.91 2hgk s ARG 25 N 0.82 1.80 -0.49 5.86 1.70 -1.26 -4.90 118.95 122.47 2hgk s ARG 25 Ca 0.11 -1.93 0.03 0.00 -0.47 0.00 0.00 55.73 53.47 2hgk s ARG 25 Cb -0.22 -1.66 0.13 0.00 -0.57 0.00 0.00 34.95 32.64 2hgk s ARG 25 CO -0.04 0.13 0.26 1.21 -1.08 0.00 0.00 175.30 175.78 2hgk s ASN 26 N -3.59 4.00 0.71 -2.89 2.47 -1.26 -4.96 114.94 109.42 2hgk s ASN 26 Ca 0.32 -2.88 -0.04 0.00 0.42 0.00 0.00 52.86 50.68 2hgk s ASN 26 Cb 0.03 -1.35 0.10 0.00 -1.45 0.00 0.00 41.25 38.57 2hgk s ASN 26 CO 0.16 -0.24 0.99 -0.62 -3.72 0.00 0.00 177.10 173.68 2hgk s ASP 27 N -0.06 4.50 -0.66 -4.21 -1.08 -1.26 -5.05 116.67 108.86 2hgk s ASP 27 Ca 0.18 -0.01 0.05 0.00 -0.52 0.00 0.00 52.55 52.25 2hgk s ASP 27 Cb -0.24 -0.50 0.20 0.00 -1.46 0.00 0.00 42.92 40.93 2hgk s ASP 27 CO -0.01 -1.76 0.59 -0.62 0.52 0.00 0.00 175.17 173.89 2hgk n GLU 28 N -2.87 2.00 -1.88 4.34 1.02 -1.26 -5.10 120.64 116.89 2hgk n GLU 28 Ca 0.12 -4.46 -0.40 0.00 -0.02 0.00 0.00 57.16 52.40 2hgk n GLU 28 Cb 0.60 -2.21 0.01 0.00 -0.02 0.00 0.00 31.44 29.82 2hgk n GLU 28 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2hgk s PRO 29 N -1.79 3.86 0.37 3.49 0.04 -1.26 -4.99 135.00 134.72 2hgk s PRO 29 Ca 0.32 2.36 -0.24 0.00 0.04 0.00 0.00 61.00 63.47 2hgk s PRO 29 Cb 0.04 -2.75 -0.10 0.00 0.04 0.00 0.00 34.50 31.73 2hgk s PRO 29 CO -0.11 -0.65 0.98 -0.65 0.04 0.00 0.00 177.00 176.61 2hgk s GLN 30 N -2.30 4.39 0.27 4.56 -0.21 -1.26 -4.95 119.66 120.15 2hgk s GLN 30 Ca 0.58 1.34 -0.00 0.00 0.02 0.00 0.00 55.36 57.30 2hgk s GLN 30 Cb -0.42 -2.60 0.63 0.00 1.00 0.00 0.00 33.01 31.62 2hgk s GLN 30 CO 0.55 0.09 1.67 -1.35 -2.12 0.00 0.00 175.29 174.13 2hgk h PRO 31 N 2.72 0.25 0.00 2.91 0.11 -2.00 0.14 132.00 136.13 2hgk h PRO 31 Ca -0.48 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 2hgk h PRO 31 Cb 1.20 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 2hgk h PRO 31 CO 0.63 0.17 -0.11 1.25 -0.21 0.00 0.00 178.00 179.74 2hgk h HIS 32 N 0.26 0.00 -0.51 0.65 2.76 -1.95 0.52 115.15 116.88 2hgk h HIS 32 Ca 0.51 0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.70 2hgk h HIS 32 Cb 0.97 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.89 2hgk h HIS 32 CO -0.25 0.11 0.30 1.96 -1.30 0.00 0.00 177.93 178.75 2hgk h GLN 33 N 0.00 0.59 0.13 5.26 4.20 -1.34 -2.84 115.11 121.11 2hgk h GLN 33 Ca -0.00 -0.04 -0.33 0.00 0.06 0.00 0.00 58.65 58.35 2hgk h GLN 33 Cb 0.19 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 2hgk h GLN 33 CO 0.01 0.39 -1.67 0.35 -0.67 0.00 0.00 178.83 177.24 2hgk h PHE 34 N 0.60 0.51 0.00 2.96 3.57 -1.26 -3.32 116.94 120.00 2hgk h PHE 34 Ca 0.21 -0.37 0.00 0.00 3.53 0.00 0.00 57.97 61.34 2hgk h PHE 34 Cb 0.03 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.75 2hgk h PHE 34 CO -0.07 1.50 0.00 0.09 -2.23 0.00 0.00 178.31 177.60 2hgk n ASN 35 N -3.47 0.00 -0.11 0.41 3.02 0.17 -0.74 115.26 114.54 2hgk n ASN 35 Ca -0.21 -0.00 0.04 0.00 -0.03 0.00 0.00 54.58 54.38 2hgk n ASN 35 Cb 1.05 -0.23 0.35 0.00 -0.61 0.00 0.00 39.78 40.35 2hgk n ASN 35 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 2hgk h SER 36 N 0.00 0.64 -1.41 6.41 4.64 -1.60 -3.46 113.55 118.77 2hgk h SER 36 Ca 0.00 -0.01 -0.42 0.00 -0.47 0.00 0.00 61.79 60.89 2hgk h SER 36 Cb 0.10 -0.15 -0.14 0.00 -0.31 0.00 0.00 62.40 61.90 2hgk h SER 36 CO 0.00 0.45 -0.41 0.41 -0.87 0.00 0.00 176.83 176.41 2hgk n THR 37 N -4.46 -0.21 -3.36 2.95 -1.04 0.08 -4.95 114.28 103.29 2hgk n THR 37 Ca 0.07 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.70 2hgk n THR 37 Cb 0.10 -2.18 -0.06 0.00 -1.82 0.00 0.00 70.33 66.36 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 -4.02 4.29 0.20 -2.82 2.00 -1.26 -5.04 119.66 113.00 2hgk s GLN 38 Ca 0.00 0.40 -0.32 0.00 -2.00 0.00 0.00 55.36 53.44 2hgk s GLN 38 Cb 0.00 -3.41 -0.15 0.00 0.80 0.00 0.00 33.01 30.25 2hgk s GLN 38 CO 0.00 0.22 1.24 -2.30 -0.50 0.00 0.00 175.29 173.95 2hgk n PRO 39 N 3.47 1.45 -0.83 1.67 -0.02 -1.26 -0.97 135.00 138.50 2hgk n PRO 39 Ca -0.08 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 2hgk n PRO 39 Cb 0.52 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 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 1.61 0.00 -3.63 6.00 3.01 -1.26 -1.85 117.46 121.34 2hgk n PHE 40 Ca 0.14 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.33 2hgk n PHE 40 Cb 0.27 -1.15 0.03 0.00 -0.01 0.00 0.00 39.48 38.62 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 -2.17 -2.25 0.29 1.38 3.72 -0.14 -4.23 117.46 114.05 2hgk n PHE 41 Ca 0.00 0.79 0.19 0.00 -0.05 0.00 0.00 57.45 58.38 2hgk n PHE 41 Cb 0.16 -4.04 1.01 0.00 -0.94 0.00 0.00 39.48 35.67 2hgk n PHE 41 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 2hgk h MET 42 N -1.88 0.00 0.00 -1.08 2.86 -1.53 0.72 114.93 114.02 2hgk h MET 42 Ca -0.54 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.06 2hgk h MET 42 Cb 1.36 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.01 2hgk h MET 42 CO 0.62 0.00 -0.33 0.22 1.06 0.00 0.00 176.91 178.48 2hgk h ASP 43 N 0.00 0.00 0.58 1.22 1.82 -1.87 -3.36 116.42 114.80 2hgk h ASP 43 Ca 0.00 -0.30 0.00 0.00 -0.39 0.00 0.00 57.03 56.34 2hgk h ASP 43 Cb 0.03 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.04 2hgk h ASP 43 CO 0.00 0.83 -0.03 0.35 -1.61 0.00 0.00 179.24 178.79 2hgk n THR 44 N -4.65 0.00 -3.06 2.25 -2.24 -1.00 -4.92 114.28 100.66 2hgk n THR 44 Ca -0.09 -0.01 -0.14 0.00 -2.27 0.00 0.00 64.05 61.54 2hgk n THR 44 Cb 0.28 -0.43 0.04 0.00 -2.10 0.00 0.00 70.33 68.13 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 -1.26 -4.31 -3.93 -0.78 2.81 0.25 -4.99 117.12 104.90 2hgk n MET 45 Ca 0.14 0.48 -0.30 0.00 -1.81 0.00 0.00 57.70 56.21 2hgk n MET 45 Cb 0.26 -4.46 -0.13 0.00 -0.71 0.00 0.00 33.22 28.17 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 -5.67 2.12 0.82 0.03 0.41 -1.07 -5.04 118.70 110.30 2hgk s GLU 46 Ca 0.31 -2.80 -0.12 0.00 -0.41 0.00 0.00 54.97 51.96 2hgk s GLU 46 Cb -0.14 -3.36 0.08 0.00 -1.78 0.00 0.00 34.13 28.94 2hgk s GLU 46 CO 0.39 -1.15 1.11 -1.25 -0.49 0.00 0.00 175.26 173.86 2hgk s PRO 47 N -0.57 1.91 0.00 0.39 0.04 -1.26 -3.73 135.00 131.78 2hgk s PRO 47 Ca 0.19 0.54 0.00 0.00 0.04 0.00 0.00 61.00 61.77 2hgk s PRO 47 Cb -0.21 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.43 2hgk s PRO 47 CO -0.04 -1.72 0.00 1.28 0.04 0.00 0.00 177.00 176.56 2hgk n LEU 48 N -3.48 0.00 -0.16 -3.56 4.77 -1.26 -4.46 117.00 108.84 2hgk n LEU 48 Ca 0.07 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 56.02 2hgk n LEU 48 Cb 0.57 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.72 2hgk n LEU 48 CO 0.57 0.00 0.98 -0.08 -1.33 0.00 0.00 177.39 177.53 2hgk h GLU 49 N 0.00 0.38 -0.81 3.23 4.81 -1.96 0.15 114.58 120.39 2hgk h GLU 49 Ca 0.00 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.24 2hgk h GLU 49 Cb 0.00 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.25 2hgk h GLU 49 CO 0.00 0.25 0.53 2.35 -0.73 0.00 0.00 179.01 181.41 2hgk h TRP 50 N 0.39 0.96 0.01 0.92 7.01 -1.78 -1.07 115.95 122.40 2hgk h TRP 50 Ca 0.24 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.26 2hgk h TRP 50 Cb 0.23 -0.32 0.00 0.00 -2.10 0.00 0.00 29.16 26.97 2hgk h TRP 50 CO -0.15 0.57 -0.01 1.25 -2.79 0.00 0.00 178.44 177.31 2hgk h LEU 51 N 1.00 -0.01 0.50 0.65 5.85 -1.40 0.59 115.31 122.49 2hgk h LEU 51 Ca 0.32 -0.35 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 2hgk h LEU 51 Cb 0.02 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.06 2hgk h LEU 51 CO -0.09 0.35 -0.24 1.56 -0.34 0.00 0.00 178.44 179.68 2hgk h GLN 52 N -0.38 -0.64 0.00 1.25 4.20 -0.45 -1.51 115.11 117.59 2hgk h GLN 52 Ca -0.00 0.04 -0.21 0.00 0.06 0.00 0.00 58.65 58.54 2hgk h GLN 52 Cb 0.37 0.15 -0.04 0.00 0.30 0.00 0.00 27.48 28.26 2hgk h GLN 52 CO 0.00 -0.35 -1.54 1.87 -0.67 0.00 0.00 178.83 178.15 2hgk n TRP 53 N -5.30 0.95 -0.01 2.96 -0.00 -0.44 -4.55 117.44 111.06 2hgk n TRP 53 Ca -0.11 0.32 -0.03 0.00 -0.00 0.00 0.00 57.50 57.69 2hgk n TRP 53 Cb 0.31 -1.11 -0.01 0.00 -0.00 0.00 0.00 31.31 30.50 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 -2.92 0.84 0.25 5.87 0.31 -0.70 -4.63 118.33 117.35 2hgk n VAL 54 Ca -0.12 0.26 -0.16 0.00 -0.01 0.00 0.00 64.34 64.31 2hgk n VAL 54 Cb 0.91 -1.68 -0.08 0.00 -0.91 0.00 0.00 33.84 32.08 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 -0.30 -0.77 0.33 7.52 5.85 0.21 0.12 115.31 128.26 2hgk h LEU 55 Ca 0.00 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 2hgk h LEU 55 Cb 0.30 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 2hgk h LEU 55 CO 0.00 -0.45 -0.24 0.40 -0.34 0.00 0.00 178.44 177.81 2hgk h ILE 56 N -0.69 0.49 -0.84 4.05 2.04 -1.51 0.23 117.51 121.27 2hgk h ILE 56 Ca -0.04 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.90 2hgk h ILE 56 Cb 0.59 0.49 -0.07 0.00 -0.74 0.00 0.00 36.82 37.10 2hgk h ILE 56 CO 0.01 0.00 0.51 -0.65 0.00 0.00 0.00 178.15 178.02 2hgk h PRO 57 N -0.56 0.87 -0.52 2.37 0.11 -1.78 -2.05 132.00 130.44 2hgk h PRO 57 Ca -0.03 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.00 2hgk h PRO 57 Cb 0.49 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.38 2hgk h PRO 57 CO 0.00 0.58 0.19 -0.09 -0.21 0.00 0.00 178.00 178.47 2hgk h ARG 58 N 0.90 0.78 0.00 1.05 2.43 -0.35 -2.45 114.38 116.75 2hgk h ARG 58 Ca 0.38 -0.15 -0.04 0.00 -0.81 0.00 0.00 59.98 59.36 2hgk h ARG 58 Cb 0.24 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 2hgk h ARG 58 CO -0.20 0.70 -0.19 0.52 -1.51 0.00 0.00 179.97 179.29 2hgk h MET 59 N 0.70 0.00 0.39 0.20 2.86 -0.16 -1.20 114.93 117.73 2hgk h MET 59 Ca 0.17 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.80 2hgk h MET 59 Cb 0.23 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 2hgk h MET 59 CO -0.01 0.19 -0.25 0.45 1.06 0.00 0.00 176.91 178.35 2hgk h HIS 60 N 0.00 -0.66 -0.76 -0.22 3.86 -0.89 0.14 115.15 116.62 2hgk h HIS 60 Ca -0.00 -0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.22 2hgk h HIS 60 Cb 0.35 0.24 -0.04 0.00 1.06 0.00 0.00 27.41 29.01 2hgk h HIS 60 CO 0.00 -0.38 0.50 -0.44 0.86 0.00 0.00 177.93 178.47 2hgk h ASP 61 N -0.62 0.85 -0.13 2.45 3.32 -1.30 0.25 116.42 121.23 2hgk h ASP 61 Ca -0.04 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 56.99 2hgk h ASP 61 Cb 0.51 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 2hgk h ASP 61 CO 0.04 0.61 0.08 0.25 -1.72 0.00 0.00 179.24 178.50 2hgk h LEU 62 N 1.01 0.17 -0.45 1.55 5.85 -0.90 -2.27 115.31 120.26 2hgk h LEU 62 Ca 0.28 -0.07 -0.18 0.00 0.84 0.00 0.00 57.88 58.75 2hgk h LEU 62 Cb -0.08 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 2hgk h LEU 62 CO -0.07 0.19 -0.72 -0.07 -0.34 0.00 0.00 178.44 177.43 2hgk h LEU 63 N 0.13 0.39 -1.85 2.25 3.38 -0.14 -2.16 115.31 117.29 2hgk h LEU 63 Ca 0.05 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 2hgk h LEU 63 Cb 0.06 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 2hgk h LEU 63 CO -0.01 0.98 -0.13 0.44 0.09 0.00 0.00 178.44 179.81 2hgk h ASP 64 N 0.22 0.00 -0.35 -0.43 3.32 -0.47 0.97 116.42 119.68 2hgk h ASP 64 Ca -0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.02 2hgk h ASP 64 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 2hgk h ASP 64 CO 0.12 0.13 0.00 0.59 -1.72 0.00 0.00 179.24 178.36 2hgk n ASN 65 N -3.71 2.88 0.00 6.45 3.02 -0.86 -4.99 115.26 118.05 2hgk n ASN 65 Ca -0.02 -1.92 0.00 0.00 -0.03 0.00 0.00 54.58 52.62 2hgk n ASN 65 Cb 0.25 -0.23 0.00 0.00 -0.61 0.00 0.00 39.78 39.19 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 1.11 0.00 -1.06 3.52 5.02 0.33 -4.94 118.16 122.15 2hgk n LYS 66 Ca 0.18 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.60 2hgk n LYS 66 Cb 0.51 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.45 2hgk n LYS 66 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2hgk n GLN 67 N 0.00 -2.42 0.10 1.97 1.13 -1.26 -4.48 117.38 112.43 2hgk n GLN 67 Ca 0.00 1.94 0.12 0.00 -1.94 0.00 0.00 57.00 57.12 2hgk n GLN 67 Cb 0.00 -2.84 0.46 0.00 0.11 0.00 0.00 30.24 27.96 2hgk n GLN 67 CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32 2hgk n PRO 68 N -3.75 0.19 -0.93 -1.09 -0.02 -1.26 -5.01 135.00 123.13 2hgk n PRO 68 Ca -0.06 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 2hgk n PRO 68 Cb 0.50 -1.79 0.00 0.00 -0.02 0.00 0.00 33.50 32.19 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 -2.14 -2.47 -4.57 2.45 4.77 -1.26 -3.83 117.00 109.95 2hgk n LEU 69 Ca 0.04 1.75 -0.41 0.00 -0.03 0.00 0.00 56.01 57.35 2hgk n LEU 69 Cb 0.30 -1.26 -0.03 0.00 -2.33 0.00 0.00 43.42 40.11 2hgk n LEU 69 CO 0.23 0.08 1.41 -2.16 -1.33 0.00 0.00 177.39 175.63 2hgk s PRO 70 N -4.25 3.09 0.37 3.23 0.04 -1.26 -4.78 135.00 131.43 2hgk s PRO 70 Ca 0.00 0.65 0.27 0.00 0.04 0.00 0.00 61.00 61.96 2hgk s PRO 70 Cb 0.00 -4.22 0.97 0.00 0.04 0.00 0.00 34.50 31.29 2hgk s PRO 70 CO 0.00 -2.18 1.79 0.78 0.04 0.00 0.00 177.00 177.43 2hgk h GLY 71 N 14.25 0.00 -2.15 0.56 0.00 -1.87 -2.84 103.07 111.02 2hgk h GLY 71 Ca -0.28 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 46.90 2hgk h GLY 71 CO 1.17 0.00 0.03 0.00 0.00 0.00 0.00 176.54 177.74 2hgk n ALA 72 N -1.92 4.02 -2.65 3.60 0.00 -1.26 -4.33 120.51 117.96 2hgk n ALA 72 Ca 0.03 -2.82 -0.39 0.00 0.00 0.00 0.00 53.44 50.26 2hgk n ALA 72 Cb 0.34 -0.82 -0.08 0.00 0.00 0.00 0.00 19.45 18.89 2hgk n ALA 72 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2hgk s PHE 73 N -3.11 3.32 -0.05 0.00 5.36 -1.07 -5.06 117.98 117.38 2hgk s PHE 73 Ca 0.45 0.54 -0.02 0.00 -0.96 0.00 0.00 56.93 56.95 2hgk s PHE 73 Cb 0.39 -2.55 0.04 0.00 -0.34 0.00 0.00 43.02 40.56 2hgk s PHE 73 CO 0.04 -0.10 0.09 0.00 -1.46 0.00 0.00 175.22 173.80 2hgk s ALA 74 N 1.63 -0.04 -0.13 11.12 0.00 -1.26 -4.75 121.76 128.33 2hgk s ALA 74 Ca 0.18 0.45 0.16 0.00 0.00 0.00 0.00 51.96 52.74 2hgk s ALA 74 Cb -0.15 -0.46 -0.22 0.00 0.00 0.00 0.00 23.12 22.28 2hgk s ALA 74 CO 0.08 -0.26 0.14 1.33 0.00 0.00 0.00 175.76 177.06 2hgk n VAL 75 N 4.55 0.86 -0.00 0.00 0.24 -1.26 -4.64 118.33 118.08 2hgk n VAL 75 Ca -0.20 -0.63 -0.10 0.00 -2.04 0.00 0.00 64.34 61.37 2hgk n VAL 75 Cb 0.50 -0.40 -0.04 0.00 -1.47 0.00 0.00 33.84 32.44 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 1.03 0.04 -0.24 2.33 0.00 -1.91 -1.29 119.26 119.22 2hgk h ALA 76 Ca -0.34 0.04 0.07 0.00 0.00 0.00 0.00 54.91 54.68 2hgk h ALA 76 Cb 1.73 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.64 2hgk h ALA 76 CO 0.02 -0.52 0.19 -1.00 0.00 0.00 0.00 179.25 177.94 2hgk h PRO 77 N -0.05 0.00 0.03 0.00 0.13 -1.96 -0.86 132.00 129.28 2hgk h PRO 77 Ca 0.06 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.05 2hgk h PRO 77 Cb 0.14 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.29 2hgk h PRO 77 CO -0.14 0.00 -0.59 -0.92 -0.23 0.00 0.00 178.00 176.12 2hgk h TYR 78 N 0.00 0.54 0.00 1.56 3.20 -1.63 -3.27 116.97 117.37 2hgk h TYR 78 Ca 0.11 -0.31 0.00 0.00 3.14 0.00 0.00 58.73 61.67 2hgk h TYR 78 Cb 0.48 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.70 2hgk h TYR 78 CO 0.00 1.15 0.00 0.66 -1.64 0.00 0.00 178.16 178.33 2hgk n TYR 79 N -4.24 0.70 0.28 -3.82 4.01 -0.56 -1.57 117.16 111.97 2hgk n TYR 79 Ca -0.11 0.25 0.17 0.00 -0.16 0.00 0.00 57.90 58.05 2hgk n TYR 79 Cb 0.68 -0.90 0.66 0.00 -0.31 0.00 0.00 39.34 39.47 2hgk n TYR 79 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 2hgk h GLU 80 N 0.00 0.00 0.00 -0.72 4.81 -1.23 -0.37 114.58 117.07 2hgk h GLU 80 Ca 0.00 0.00 -0.38 0.00 -0.13 0.00 0.00 59.36 58.85 2hgk h GLU 80 Cb 0.47 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.78 2hgk h GLU 80 CO 0.00 0.00 -2.43 -1.33 -0.73 0.00 0.00 179.01 174.52 2hgk n MET 81 N -3.05 0.67 0.14 1.92 2.81 -0.61 -4.52 117.12 114.50 2hgk n MET 81 Ca 0.01 0.08 0.02 0.00 -1.81 0.00 0.00 57.70 56.00 2hgk n MET 81 Cb 0.31 -1.52 0.05 0.00 -0.71 0.00 0.00 33.22 31.35 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 0.43 0.69 -2.74 3.04 0.00 -1.23 -3.45 119.26 115.99 2hgk h ALA 82 Ca -0.56 -0.47 -0.58 0.00 0.00 0.00 0.00 54.91 53.29 2hgk h ALA 82 Cb 2.04 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.72 2hgk h ALA 82 CO -0.04 0.65 -0.45 -1.17 0.00 0.00 0.00 179.25 178.24 2hgk s LEU 83 N -6.53 4.33 -0.39 0.00 2.96 -0.16 -5.00 118.68 113.89 2hgk s LEU 83 Ca 0.03 0.29 -0.41 0.00 -0.22 0.00 0.00 54.13 53.83 2hgk s LEU 83 Cb 0.08 -3.01 -0.16 0.00 0.50 0.00 0.00 46.19 43.60 2hgk s LEU 83 CO 0.74 0.10 1.94 0.00 -1.32 0.00 0.00 176.35 177.81 2hgk n ALA 84 N -0.08 0.07 0.12 5.97 0.00 -1.26 -4.84 120.51 120.48 2hgk n ALA 84 Ca -0.05 0.24 -0.03 0.00 0.00 0.00 0.00 53.44 53.60 2hgk n ALA 84 Cb 0.52 -2.22 0.16 0.00 0.00 0.00 0.00 19.45 17.91 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 6.14 1.41 -0.40 0.00 1.35 -1.90 -3.06 112.91 116.45 2hgk h THR 85 Ca -0.32 -2.03 -0.10 0.00 -0.55 0.00 0.00 66.41 63.41 2hgk h THR 85 Cb 1.35 2.07 -0.06 0.00 -1.73 0.00 0.00 68.15 69.78 2hgk h THR 85 CO 1.01 0.59 0.12 0.47 -0.25 0.00 0.00 175.52 177.47 2hgk n ASP 86 N -3.84 3.59 -3.84 5.36 8.00 -1.26 -4.59 116.55 119.97 2hgk n ASP 86 Ca -0.02 -2.65 -0.29 0.00 0.71 0.00 0.00 54.79 52.54 2hgk n ASP 86 Cb 0.61 -0.63 -0.13 0.00 -0.02 0.00 0.00 41.12 40.94 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 -1.95 2.84 0.58 1.24 2.46 -1.16 -4.98 115.29 114.33 2hgk s HIS 87 Ca 0.31 -2.97 0.30 0.00 0.47 0.00 0.00 55.06 53.17 2hgk s HIS 87 Cb 0.25 -2.43 1.44 0.00 -0.13 0.00 0.00 32.58 31.71 2hgk s HIS 87 CO 0.08 -0.70 1.85 -1.35 -2.47 0.00 0.00 174.74 172.14 2hgk h PRO 88 N 6.21 0.00 0.00 2.88 0.11 -1.87 0.68 132.00 140.01 2hgk h PRO 88 Ca 0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.13 2hgk h PRO 88 Cb 0.86 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.97 2hgk h PRO 88 CO 0.62 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.45 2hgk n GLN 89 N -3.80 0.04 0.28 1.05 6.02 -1.26 -1.80 117.38 117.91 2hgk n GLN 89 Ca 0.12 0.30 0.18 0.00 -0.01 0.00 0.00 57.00 57.59 2hgk n GLN 89 Cb 0.82 -1.50 0.74 0.00 1.02 0.00 0.00 30.24 31.32 2hgk n GLN 89 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 2hgk h ARG 90 N 0.00 0.00 -0.65 -1.09 0.11 -1.19 -3.04 114.38 108.52 2hgk h ARG 90 Ca 0.00 0.00 0.09 0.00 0.10 0.00 0.00 59.98 60.17 2hgk h ARG 90 Cb 0.13 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.17 2hgk h ARG 90 CO 0.00 0.00 0.43 0.00 0.10 0.00 0.00 179.97 180.51 2hgk h ALA 91 N 2.00 1.89 -0.65 0.08 0.00 -1.58 0.74 119.26 121.73 2hgk h ALA 91 Ca -0.00 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2hgk h ALA 91 Cb 0.46 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2hgk h ALA 91 CO 0.00 -0.02 0.15 -0.07 0.00 0.00 0.00 179.25 179.31 2hgk h LEU 92 N 0.54 0.98 -0.03 0.00 3.38 -1.77 0.16 115.31 118.57 2hgk h LEU 92 Ca 0.30 -0.20 -0.13 0.00 0.09 0.00 0.00 57.88 57.94 2hgk h LEU 92 Cb 0.44 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 40.94 2hgk h LEU 92 CO -0.09 0.95 -0.48 0.40 0.09 0.00 0.00 178.44 179.31 2hgk h ILE 93 N 0.99 1.43 -0.72 1.22 2.04 -1.29 -2.68 117.51 118.49 2hgk h ILE 93 Ca 0.21 -1.95 -0.04 0.00 1.00 0.00 0.00 64.86 64.08 2hgk h ILE 93 Cb 0.36 2.50 -0.03 0.00 -0.74 0.00 0.00 36.82 38.90 2hgk h ILE 93 CO 0.00 0.56 0.29 -0.07 0.00 0.00 0.00 178.15 178.94 2hgk h LEU 94 N -0.13 0.98 -0.39 1.44 3.38 -0.81 -0.06 115.31 119.72 2hgk h LEU 94 Ca -0.05 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 2hgk h LEU 94 Cb 1.17 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 2hgk h LEU 94 CO 0.10 0.87 0.23 0.00 0.09 0.00 0.00 178.44 179.72 2hgk h ALA 95 N 1.27 0.50 -0.71 1.53 0.00 -0.72 0.27 119.26 121.41 2hgk h ALA 95 Ca 0.24 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 2hgk h ALA 95 Cb 0.19 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2hgk h ALA 95 CO -0.02 0.01 0.30 1.49 0.00 0.00 0.00 179.25 181.03 2hgk h GLU 96 N 0.51 1.05 -0.05 0.00 4.57 -1.09 -0.22 114.58 119.35 2hgk h GLU 96 Ca 0.14 -0.17 -0.01 0.00 -1.18 0.00 0.00 59.36 58.14 2hgk h GLU 96 Cb 0.03 -0.18 -0.00 0.00 -0.16 0.00 0.00 28.75 28.44 2hgk h GLU 96 CO -0.02 0.84 0.01 -0.07 -1.18 0.00 0.00 179.01 178.58 2hgk h LEU 97 N 1.03 0.07 -1.21 1.64 3.38 -0.49 -1.74 115.31 117.99 2hgk h LEU 97 Ca 0.24 -0.26 0.04 0.00 0.09 0.00 0.00 57.88 58.00 2hgk h LEU 97 Cb 0.18 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 2hgk h LEU 97 CO -0.02 0.31 0.55 -0.33 0.09 0.00 0.00 178.44 179.04 2hgk h GLU 98 N -0.17 0.97 -0.56 1.13 5.08 -0.25 0.20 114.58 120.98 2hgk h GLU 98 Ca 0.01 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 2hgk h GLU 98 Cb 0.27 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 2hgk h GLU 98 CO 0.00 0.64 0.25 -0.22 -1.00 0.00 0.00 179.01 178.68 2hgk h LYS 99 N 1.00 0.80 -0.02 2.33 3.64 -0.85 0.77 116.57 124.23 2hgk h LYS 99 Ca 0.34 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.60 2hgk h LYS 99 Cb 0.10 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 31.77 2hgk h LYS 99 CO -0.11 0.64 -0.04 1.25 -2.27 0.00 0.00 179.45 178.92 2hgk h LEU 100 N 0.79 0.07 -1.05 5.20 5.85 -0.16 -2.87 115.31 123.16 2hgk h LEU 100 Ca 0.19 -0.53 0.13 0.00 0.84 0.00 0.00 57.88 58.51 2hgk h LEU 100 Cb 0.12 -0.02 -0.08 0.00 0.37 0.00 0.00 40.66 41.04 2hgk h LEU 100 CO -0.02 0.59 0.62 0.44 -0.34 0.00 0.00 178.44 179.73 2hgk h ASP 101 N -0.44 0.89 -0.17 1.25 3.32 -0.37 0.60 116.42 121.50 2hgk h ASP 101 Ca 0.00 0.05 -0.05 0.00 0.02 0.00 0.00 57.03 57.05 2hgk h ASP 101 Cb 0.58 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 2hgk h ASP 101 CO 0.01 0.46 -0.04 0.00 -1.72 0.00 0.00 179.24 177.95 2hgk h ALA 102 N 1.55 1.37 -0.41 3.45 0.00 -0.85 -2.61 119.26 121.76 2hgk h ALA 102 Ca 0.49 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 55.13 2hgk h ALA 102 Cb 0.53 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2hgk h ALA 102 CO -0.26 0.43 -0.01 -0.07 0.00 0.00 0.00 179.25 179.35 2hgk h LEU 103 N 0.45 0.62 -1.88 0.00 3.38 -0.65 -0.07 115.31 117.17 2hgk h LEU 103 Ca 0.09 -0.14 0.03 0.00 0.09 0.00 0.00 57.88 57.96 2hgk h LEU 103 Cb 0.37 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2hgk h LEU 103 CO 0.02 0.70 0.15 -0.26 0.09 0.00 0.00 178.44 179.14 2hgk h PHE 104 N 0.62 0.15 -0.08 1.13 0.04 -1.12 -0.87 116.94 116.81 2hgk h PHE 104 Ca 0.13 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.90 2hgk h PHE 104 Cb 0.40 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.50 2hgk h PHE 104 CO 0.02 0.09 0.00 0.00 -0.60 0.00 0.00 178.31 177.82 2hgk n ALA 105 N -2.54 2.45 0.00 2.45 0.00 -0.78 -4.19 120.51 117.91 2hgk n ALA 105 Ca 0.01 -0.72 -0.05 0.00 0.00 0.00 0.00 53.44 52.68 2hgk n ALA 105 Cb 0.19 -0.74 -0.12 0.00 0.00 0.00 0.00 19.45 18.78 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 1.25 0.88 -2.32 0.00 2.03 -0.11 -4.89 116.55 113.38 2hgk n ASP 106 Ca 0.14 0.41 -0.03 0.00 0.52 0.00 0.00 54.79 55.82 2hgk n ASP 106 Cb 0.55 0.01 0.02 0.00 -0.72 0.00 0.00 41.12 40.99 2hgk n ASP 106 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2hgk n ASP 107 N -2.98 -0.29 -4.33 1.67 -0.08 -0.98 -4.99 116.55 104.57 2hgk n ASP 107 Ca -0.14 -0.93 -0.46 0.00 -1.51 0.00 0.00 54.79 51.75 2hgk n ASP 107 Cb 0.97 -0.11 -0.03 0.00 2.34 0.00 0.00 41.12 44.28 2hgk n ASP 107 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2hgk s ALA 108 N -3.74 3.84 -0.05 -1.67 0.00 -1.26 -5.03 121.76 113.85 2hgk s ALA 108 Ca 0.08 -2.93 -0.01 0.00 0.00 0.00 0.00 51.96 49.10 2hgk s ALA 108 Cb -0.00 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.62 2hgk s ALA 108 CO 0.06 -2.24 0.04 0.45 0.00 0.00 0.00 175.76 174.07 2hgk s SER 109 N 2.87 5.47 0.55 0.00 0.15 -1.25 -4.78 113.70 116.70 2hgk s SER 109 Ca 0.13 0.15 0.33 0.00 0.70 0.00 0.00 55.95 57.27 2hgk s SER 109 Cb -0.18 -1.56 1.33 0.00 -1.71 0.00 0.00 66.02 63.91 2hgk s SER 109 CO -0.04 0.33 1.97 0.25 1.20 0.00 0.00 173.24 176.96 2hgk h LEU 110 N 4.68 0.00 -2.07 3.45 5.85 -1.87 -2.71 115.31 122.65 2hgk h LEU 110 Ca -0.50 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.20 2hgk h LEU 110 Cb 1.19 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.22 2hgk h LEU 110 CO 0.58 0.00 -0.07 -0.33 -0.34 0.00 0.00 178.44 178.28 2hgk h GLU 111 N 0.00 0.00 0.00 1.25 5.08 -1.94 0.23 114.58 119.20 2hgk h GLU 111 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2hgk h GLU 111 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 2hgk h GLU 111 CO 0.00 0.07 0.00 1.58 -1.00 0.00 0.00 179.01 179.66 2hgk n HIS 112 N -3.41 0.56 -2.34 4.33 -0.00 -1.02 -4.99 115.22 108.34 2hgk n HIS 112 Ca -0.02 0.17 -0.02 0.00 0.46 0.00 0.00 57.72 58.31 2hgk n HIS 112 Cb 0.21 -0.77 -0.02 0.00 -0.12 0.00 0.00 29.99 29.30 2hgk n HIS 112 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2hgk n HIS 113 N -1.96 -3.08 -3.49 1.57 8.25 0.07 -5.10 115.22 111.48 2hgk n HIS 113 Ca 0.06 1.57 -0.13 0.00 -0.26 0.00 0.00 57.72 58.95 2hgk n HIS 113 Cb 0.38 -3.31 -0.04 0.00 1.12 0.00 0.00 29.99 28.14 2hgk n HIS 113 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2hgk s HIS 114 N -0.88 -0.51 0.16 4.41 -3.43 -1.26 -5.11 115.29 108.67 2hgk s HIS 114 Ca -0.09 0.48 0.06 0.00 -0.80 0.00 0.00 55.06 54.71 2hgk s HIS 114 Cb 0.01 0.46 -0.04 0.00 -1.43 0.00 0.00 32.58 31.57 2hgk s HIS 114 CO 0.58 -0.75 -0.13 -1.01 -2.00 0.00 0.00 174.74 171.43 2hgk s HIS 115 N -2.98 1.49 0.12 0.38 0.09 -1.26 -4.96 115.29 108.17 2hgk s HIS 115 Ca -0.03 -0.61 -0.03 0.00 -0.00 0.00 0.00 55.06 54.39 2hgk s HIS 115 Cb -0.00 -0.74 -0.13 0.00 -0.00 0.00 0.00 32.58 31.71 2hgk s HIS 115 CO -0.06 0.21 1.27 0.45 -0.00 0.00 0.00 174.74 176.61 2hgk h HIS 116 N 2.98 0.52 0.00 1.40 3.86 -2.05 -3.56 115.15 118.29 2hgk h HIS 116 Ca -0.38 -0.31 0.00 0.00 -1.16 0.00 0.00 60.37 58.52 2hgk h HIS 116 Cb 1.20 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 29.62 2hgk h HIS 116 CO 0.67 1.15 0.00 1.58 0.86 0.00 0.00 177.93 182.20