#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 3.60 -0.15 3.17 -4.23 -1.26 -4.93 115.64 111.84 2hgk s THR 2 Ca 0.00 1.17 0.11 0.00 -1.18 0.00 0.00 61.69 61.78 2hgk s THR 2 Cb 0.00 -3.75 -0.23 0.00 1.34 0.00 0.00 72.50 69.86 2hgk s THR 2 CO 0.00 0.10 0.25 0.41 -0.54 0.00 0.00 174.62 174.84 2hgk n THR 3 N 3.79 1.53 -0.11 3.99 -1.04 -1.26 -4.36 114.28 116.82 2hgk n THR 3 Ca 0.10 -0.77 -0.05 0.00 -2.04 0.00 0.00 64.05 61.29 2hgk n THR 3 Cb 0.44 -0.96 0.01 0.00 -1.82 0.00 0.00 70.33 68.00 2hgk n THR 3 CO 0.00 0.00 0.00 0.45 -0.64 0.00 0.00 175.07 174.88 2hgk h HIS 4 N 0.01 -0.37 -0.80 -1.42 -0.00 -1.91 -0.59 115.15 110.07 2hgk h HIS 4 Ca -0.45 0.04 0.04 0.00 -0.00 0.00 0.00 60.37 59.99 2hgk h HIS 4 Cb 2.09 0.22 -0.05 0.00 -0.00 0.00 0.00 27.41 29.67 2hgk h HIS 4 CO 0.01 -0.23 0.51 -0.44 -0.00 0.00 0.00 177.93 177.78 2hgk h ASP 5 N -0.08 0.83 -0.59 2.45 5.19 -1.91 -0.97 116.42 121.34 2hgk h ASP 5 Ca 0.19 -0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.55 2hgk h ASP 5 Cb 0.37 -0.18 -0.03 0.00 0.18 0.00 0.00 39.33 39.67 2hgk h ASP 5 CO -0.43 0.57 0.20 0.03 -3.12 0.00 0.00 179.24 176.48 2hgk h ARG 6 N 0.98 0.91 -0.67 3.56 3.08 -1.43 -1.49 114.38 119.31 2hgk h ARG 6 Ca 0.32 -0.19 -0.08 0.00 0.07 0.00 0.00 59.98 60.11 2hgk h ARG 6 Cb 0.04 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 29.92 2hgk h ARG 6 CO -0.12 0.81 0.12 0.28 -1.07 0.00 0.00 179.97 179.98 2hgk h VAL 7 N 0.83 1.26 -0.64 2.04 2.07 -0.70 -2.05 116.25 119.07 2hgk h VAL 7 Ca 0.19 -1.03 0.03 0.00 0.82 0.00 0.00 66.70 66.71 2hgk h VAL 7 Cb 0.26 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 2hgk h VAL 7 CO -0.01 0.39 0.40 -0.09 0.02 0.00 0.00 177.57 178.28 2hgk h ARG 8 N 1.04 0.77 -0.82 1.57 2.43 -0.76 0.19 114.38 118.79 2hgk h ARG 8 Ca 0.21 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.31 2hgk h ARG 8 Cb 0.43 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.77 2hgk h ARG 8 CO 0.01 0.51 0.45 -0.07 -1.51 0.00 0.00 179.97 179.36 2hgk h LEU 9 N 0.79 1.01 -0.64 3.80 3.38 -0.96 -1.27 115.31 121.42 2hgk h LEU 9 Ca 0.26 -0.08 -0.15 0.00 0.09 0.00 0.00 57.88 58.00 2hgk h LEU 9 Cb 0.01 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 2hgk h LEU 9 CO -0.10 0.81 -0.62 1.56 0.09 0.00 0.00 178.44 180.18 2hgk h GLN 10 N 1.14 0.22 -0.61 1.13 1.08 -0.64 -1.82 115.11 115.61 2hgk h GLN 10 Ca 0.29 -0.16 -0.01 0.00 -1.45 0.00 0.00 58.65 57.32 2hgk h GLN 10 Cb 0.02 0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.45 2hgk h GLN 10 CO -0.05 0.77 0.35 -0.07 -0.95 0.00 0.00 178.83 178.88 2hgk h LEU 11 N 0.16 0.75 -1.93 1.46 3.38 -0.07 -1.37 115.31 117.70 2hgk h LEU 11 Ca -0.01 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 2hgk h LEU 11 Cb 1.12 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.68 2hgk h LEU 11 CO 0.09 0.62 -0.12 1.56 0.09 0.00 0.00 178.44 180.69 2hgk h GLN 12 N 0.83 0.00 0.20 1.13 4.20 -0.93 0.40 115.11 120.94 2hgk h GLN 12 Ca 0.22 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.92 2hgk h GLN 12 Cb 0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.80 2hgk h GLN 12 CO -0.04 0.12 -0.10 0.00 -0.67 0.00 0.00 178.83 178.14 2hgk h ALA 13 N 1.88 -0.28 -0.63 3.87 0.00 -0.43 -1.25 119.26 122.43 2hgk h ALA 13 Ca -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2hgk h ALA 13 Cb 0.29 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2hgk h ALA 13 CO 0.02 -0.46 0.41 -0.07 0.00 0.00 0.00 179.25 179.15 2hgk h LEU 14 N -0.67 0.73 -0.18 0.00 -0.00 -0.89 0.17 115.31 114.47 2hgk h LEU 14 Ca -0.03 -0.03 0.05 0.00 -0.00 0.00 0.00 57.88 57.87 2hgk h LEU 14 Cb 0.48 -0.18 -0.07 0.00 -0.00 0.00 0.00 40.66 40.89 2hgk h LEU 14 CO 0.05 0.55 -0.31 -0.08 -0.00 0.00 0.00 178.44 178.65 2hgk h GLU 15 N 0.85 -0.34 -0.38 1.13 4.81 -0.20 0.35 114.58 120.80 2hgk h GLU 15 Ca 0.23 0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.40 2hgk h GLU 15 Cb -0.08 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 2hgk h GLU 15 CO -0.05 -0.23 -0.09 0.00 -0.73 0.00 0.00 179.01 177.92 2hgk h ALA 16 N 0.53 0.52 -0.72 2.92 0.00 -1.09 -2.50 119.26 118.92 2hgk h ALA 16 Ca 0.11 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.73 2hgk h ALA 16 Cb 0.53 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 2hgk h ALA 16 CO -0.38 0.38 0.47 1.25 0.00 0.00 0.00 179.25 180.97 2hgk h LEU 17 N 0.54 0.79 -1.06 0.00 6.46 -0.39 0.15 115.31 121.79 2hgk h LEU 17 Ca 0.10 -0.01 -0.08 0.00 -0.12 0.00 0.00 57.88 57.77 2hgk h LEU 17 Cb 0.60 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 40.33 2hgk h LEU 17 CO 0.04 0.56 -0.14 -0.07 -0.62 0.00 0.00 178.44 178.21 2hgk h LEU 18 N 0.94 0.50 -0.55 2.25 3.38 -0.28 -0.58 115.31 120.96 2hgk h LEU 18 Ca 0.27 -0.13 -0.14 0.00 0.09 0.00 0.00 57.88 57.97 2hgk h LEU 18 Cb -0.06 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 2hgk h LEU 18 CO -0.08 0.67 -0.32 -0.09 0.09 0.00 0.00 178.44 178.71 2hgk h ARG 19 N 0.47 0.83 -0.43 1.13 2.43 -0.77 0.41 114.38 118.44 2hgk h ARG 19 Ca 0.09 -0.39 -0.02 0.00 -0.81 0.00 0.00 59.98 58.85 2hgk h ARG 19 Cb 0.52 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.04 2hgk h ARG 19 CO 0.03 1.03 0.21 0.93 -1.51 0.00 0.00 179.97 180.66 2hgk h GLU 20 N 0.69 0.62 -0.59 0.20 5.08 -0.28 -2.25 114.58 118.05 2hgk h GLU 20 Ca 0.07 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2hgk h GLU 20 Cb 0.87 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.01 2hgk h GLU 20 CO 0.08 0.53 0.00 0.72 -1.00 0.00 0.00 179.01 179.34 2hgk n HIS 21 N -4.67 0.52 -2.74 4.33 8.25 -0.27 -4.88 115.22 115.76 2hgk n HIS 21 Ca 0.01 -0.20 -0.19 0.00 -0.26 0.00 0.00 57.72 57.07 2hgk n HIS 21 Cb 0.11 -0.13 0.01 0.00 1.12 0.00 0.00 29.99 31.09 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 0.20 -3.03 0.00 -0.41 6.02 -0.60 -4.81 117.38 114.74 2hgk n GLN 22 Ca 0.09 0.79 0.12 0.00 -0.01 0.00 0.00 57.00 57.98 2hgk n GLN 22 Cb 0.40 -5.50 0.10 0.00 1.02 0.00 0.00 30.24 26.26 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 -3.98 0.00 -2.41 1.08 8.25 0.13 -4.79 115.22 113.51 2hgk n HIS 23 Ca -0.14 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 56.91 2hgk n HIS 23 Cb 0.62 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.71 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 -2.04 2.18 -0.19 4.41 -0.11 -0.90 -4.90 118.94 117.39 2hgk s TRP 24 Ca 0.27 0.29 -0.22 0.00 1.22 0.00 0.00 56.10 57.66 2hgk s TRP 24 Cb 0.20 -4.45 -0.02 0.00 -1.50 0.00 0.00 33.47 27.70 2hgk s TRP 24 CO 0.32 -2.06 0.70 1.03 -4.62 0.00 0.00 176.95 172.32 2hgk s ARG 25 N 5.87 4.24 -1.49 5.86 0.52 -1.26 -4.94 118.95 127.74 2hgk s ARG 25 Ca 0.47 0.76 -0.08 0.00 -0.52 0.00 0.00 55.73 56.35 2hgk s ARG 25 Cb -0.10 -3.58 0.01 0.00 0.52 0.00 0.00 34.95 31.80 2hgk s ARG 25 CO 0.20 -0.28 2.66 -1.71 0.02 0.00 0.00 175.30 176.19 2hgk n ASN 26 N 5.16 8.08 -3.78 0.23 5.15 -1.26 -4.89 115.26 123.95 2hgk n ASN 26 Ca 0.01 -2.82 -0.20 0.00 -0.60 0.00 0.00 54.58 50.97 2hgk n ASN 26 Cb 0.49 -1.49 -0.03 0.00 -0.53 0.00 0.00 39.78 38.22 2hgk n ASN 26 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 2hgk n ASP 27 N 3.05 2.71 -4.27 1.20 8.00 -1.26 -5.12 116.55 120.87 2hgk n ASP 27 Ca 0.70 -2.40 -0.37 0.00 0.71 0.00 0.00 54.79 53.43 2hgk n ASP 27 Cb 0.25 0.16 -0.13 0.00 -0.02 0.00 0.00 41.12 41.39 2hgk n ASP 27 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2hgk s GLU 28 N -3.28 2.70 0.34 -1.24 2.02 -1.26 -5.09 118.70 112.89 2hgk s GLU 28 Ca 0.06 -1.11 -0.28 0.00 0.02 0.00 0.00 54.97 53.65 2hgk s GLU 28 Cb -0.00 -3.36 -0.10 0.00 0.10 0.00 0.00 34.13 30.76 2hgk s GLU 28 CO 0.03 -0.60 1.29 -2.14 0.02 0.00 0.00 175.26 173.87 2hgk s PRO 29 N 1.39 4.30 -0.02 0.39 0.02 -1.26 -5.05 135.00 134.77 2hgk s PRO 29 Ca -0.01 2.17 0.04 0.00 0.02 0.00 0.00 61.00 63.22 2hgk s PRO 29 Cb -0.19 -3.01 -0.01 0.00 0.02 0.00 0.00 34.50 31.31 2hgk s PRO 29 CO 0.02 -0.22 -0.15 -0.65 -0.33 0.00 0.00 177.00 175.67 2hgk s GLN 30 N -1.87 1.37 0.22 5.54 -1.52 -1.26 -5.02 119.66 117.12 2hgk s GLN 30 Ca 0.50 -0.52 0.14 0.00 -1.95 0.00 0.00 55.36 53.53 2hgk s GLN 30 Cb -0.39 -1.26 0.79 0.00 -0.22 0.00 0.00 33.01 31.92 2hgk s GLN 30 CO 0.51 0.26 1.44 -0.35 -0.25 0.00 0.00 175.29 176.90 2hgk n PRO 31 N 2.96 0.09 0.28 2.91 -0.04 -1.26 -1.94 135.00 138.00 2hgk n PRO 31 Ca -0.16 0.59 0.18 0.00 -0.04 0.00 0.00 63.50 64.07 2hgk n PRO 31 Cb 0.54 -1.82 0.96 0.00 -0.04 0.00 0.00 33.50 33.13 2hgk n PRO 31 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2hgk h HIS 32 N 0.00 0.00 -0.48 0.54 2.76 -2.02 -1.22 115.15 114.74 2hgk h HIS 32 Ca 0.00 0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.21 2hgk h HIS 32 Cb 0.03 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 28.96 2hgk h HIS 32 CO 0.00 0.00 0.32 0.37 -1.30 0.00 0.00 177.93 177.32 2hgk h GLN 33 N 0.00 0.49 -0.00 5.26 4.15 -1.83 -0.79 115.11 122.39 2hgk h GLN 33 Ca 0.03 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2hgk h GLN 33 Cb 0.27 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.85 2hgk h GLN 33 CO -0.00 0.32 -0.01 1.19 -1.93 0.00 0.00 178.83 178.40 2hgk n PHE 34 N -4.48 0.00 0.99 3.99 3.72 -0.46 -3.03 117.46 118.19 2hgk n PHE 34 Ca 0.05 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.59 2hgk n PHE 34 Cb 0.17 -0.18 0.59 0.00 -0.94 0.00 0.00 39.48 39.12 2hgk n PHE 34 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2hgk n ASN 35 N -1.14 0.06 -0.24 4.37 5.03 -0.30 -2.57 115.26 120.47 2hgk n ASN 35 Ca 0.17 0.46 -0.04 0.00 0.87 0.00 0.00 54.58 56.04 2hgk n ASN 35 Cb 0.20 -0.46 0.12 0.00 -1.02 0.00 0.00 39.78 38.62 2hgk n ASN 35 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.26 175.71 2hgk h SER 36 N 0.00 0.99 -0.55 6.41 0.02 -1.68 -3.46 113.55 115.28 2hgk h SER 36 Ca 0.00 -0.15 -0.24 0.00 -0.84 0.00 0.00 61.79 60.56 2hgk h SER 36 Cb 0.51 -0.26 -0.09 0.00 0.14 0.00 0.00 62.40 62.70 2hgk h SER 36 CO 0.00 0.88 -0.22 0.41 -1.14 0.00 0.00 176.83 176.77 2hgk n THR 37 N -4.29 0.00 -4.22 -2.27 -1.04 -1.06 -4.97 114.28 96.43 2hgk n THR 37 Ca 0.06 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.78 2hgk n THR 37 Cb 0.18 -1.44 -0.09 0.00 -1.82 0.00 0.00 70.33 67.16 2hgk n THR 37 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 2hgk s GLN 38 N -2.87 2.17 0.24 -2.82 -0.21 -1.26 -5.05 119.66 109.85 2hgk s GLN 38 Ca 0.00 -1.04 -0.31 0.00 0.02 0.00 0.00 55.36 54.03 2hgk s GLN 38 Cb 0.00 -2.31 -0.13 0.00 1.00 0.00 0.00 33.01 31.56 2hgk s GLN 38 CO 0.00 0.50 1.40 -0.35 -2.12 0.00 0.00 175.29 174.72 2hgk n PRO 39 N 0.56 2.00 -0.19 2.91 -0.04 -1.26 -0.93 135.00 138.05 2hgk n PRO 39 Ca -0.13 0.71 0.00 0.00 -0.04 0.00 0.00 63.50 64.04 2hgk n PRO 39 Cb 0.53 -2.36 0.00 0.00 -0.04 0.00 0.00 33.50 31.63 2hgk n PRO 39 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2hgk n PHE 40 N 1.89 0.00 -3.79 0.54 3.72 -1.26 -3.86 117.46 114.71 2hgk n PHE 40 Ca 0.12 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.26 2hgk n PHE 40 Cb 0.31 -0.41 0.01 0.00 -0.94 0.00 0.00 39.48 38.46 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 -1.81 0.21 1.38 3.72 -0.11 -4.59 117.46 114.26 2hgk n PHE 41 Ca 0.00 0.70 0.05 0.00 -0.05 0.00 0.00 57.45 58.15 2hgk n PHE 41 Cb 0.00 -3.87 0.24 0.00 -0.94 0.00 0.00 39.48 34.90 2hgk n PHE 41 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 2hgk n MET 42 N -4.28 0.04 -0.05 -1.08 2.81 -1.25 -2.49 117.12 110.83 2hgk n MET 42 Ca -0.25 0.44 -0.22 0.00 -1.81 0.00 0.00 57.70 55.87 2hgk n MET 42 Cb 0.66 -1.62 -0.13 0.00 -0.71 0.00 0.00 33.22 31.43 2hgk n MET 42 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 2hgk h ASP 43 N 0.00 0.20 0.00 7.83 3.32 -1.93 -3.40 116.42 122.44 2hgk h ASP 43 Ca 0.00 -0.72 0.00 0.00 0.02 0.00 0.00 57.03 56.33 2hgk h ASP 43 Cb 0.11 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.59 2hgk h ASP 43 CO 0.00 1.65 -0.11 0.71 -1.72 0.00 0.00 179.24 179.77 2hgk h THR 44 N -0.51 0.00 -3.30 0.35 1.35 -1.79 -3.45 112.91 105.55 2hgk h THR 44 Ca -0.37 -0.71 -0.67 0.00 -0.55 0.00 0.00 66.41 64.11 2hgk h THR 44 Cb 1.63 0.00 -0.35 0.00 -1.73 0.00 0.00 68.15 67.71 2hgk h THR 44 CO -0.07 0.00 -0.83 -0.04 -0.25 0.00 0.00 175.52 174.34 2hgk s MET 45 N -1.54 2.84 0.83 4.72 -1.94 -1.06 -5.11 119.30 118.04 2hgk s MET 45 Ca -0.03 -0.94 -0.13 0.00 -1.71 0.00 0.00 55.69 52.87 2hgk s MET 45 Cb 0.00 -2.71 0.06 0.00 2.01 0.00 0.00 34.83 34.20 2hgk s MET 45 CO 0.05 -0.31 0.95 0.39 -0.01 0.00 0.00 175.02 176.09 2hgk n GLU 46 N 4.60 0.03 -0.25 2.03 1.02 -1.26 -4.21 120.64 122.60 2hgk n GLU 46 Ca -0.19 0.08 0.03 0.00 -0.02 0.00 0.00 57.16 57.06 2hgk n GLU 46 Cb 0.48 -2.23 0.08 0.00 -0.02 0.00 0.00 31.44 29.75 2hgk n GLU 46 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 2hgk n PRO 47 N -2.73 -0.09 0.22 3.49 -0.02 -1.26 0.75 135.00 135.36 2hgk n PRO 47 Ca 0.12 1.07 0.10 0.00 -2.02 0.00 0.00 63.50 62.76 2hgk n PRO 47 Cb 0.51 -1.59 0.42 0.00 -0.02 0.00 0.00 33.50 32.82 2hgk n PRO 47 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2hgk h LEU 48 N 0.00 0.00 0.00 2.45 5.85 -1.95 -2.53 115.31 119.13 2hgk h LEU 48 Ca 0.31 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.03 2hgk h LEU 48 Cb 0.48 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.51 2hgk h LEU 48 CO -0.70 0.22 -0.56 -0.33 -0.34 0.00 0.00 178.44 176.73 2hgk h GLU 49 N 0.00 0.00 0.00 1.25 4.39 0.05 -3.27 114.58 117.00 2hgk h GLU 49 Ca -0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 2hgk h GLU 49 Cb 0.80 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.45 2hgk h GLU 49 CO 0.03 0.00 -0.01 2.35 -1.16 0.00 0.00 179.01 180.21 2hgk h TRP 50 N 0.00 0.00 -0.05 4.33 7.01 -0.89 -0.04 115.95 126.31 2hgk h TRP 50 Ca 0.00 0.00 -0.02 0.00 2.11 0.00 0.00 58.89 60.98 2hgk h TRP 50 Cb 0.86 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 27.92 2hgk h TRP 50 CO 0.00 0.01 -0.05 -0.07 -2.79 0.00 0.00 178.44 175.55 2hgk h LEU 51 N 0.00 0.07 -9.80 0.65 3.38 -1.69 -2.60 115.31 105.32 2hgk h LEU 51 Ca -0.00 -0.01 -0.53 0.00 0.09 0.00 0.00 57.88 57.43 2hgk h LEU 51 Cb 0.14 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 2hgk h LEU 51 CO 0.00 0.13 0.11 -1.10 0.09 0.00 0.00 178.44 177.66 2hgk s GLN 52 N -4.94 4.33 0.00 1.13 -1.52 -0.03 -2.64 119.66 115.99 2hgk s GLN 52 Ca -0.05 0.93 0.00 0.00 -1.95 0.00 0.00 55.36 54.29 2hgk s GLN 52 Cb 0.16 -3.04 0.00 0.00 -0.22 0.00 0.00 33.01 29.92 2hgk s GLN 52 CO 0.69 0.48 0.00 1.87 -0.25 0.00 0.00 175.29 178.08 2hgk n TRP 53 N 1.11 0.00 0.00 0.91 -0.00 -1.26 -4.44 117.44 113.76 2hgk n TRP 53 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.46 2hgk n TRP 53 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.81 2hgk n TRP 53 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 2hgk n VAL 54 N 0.00 0.00 0.11 5.87 0.31 -1.25 -4.33 118.33 119.03 2hgk n VAL 54 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.20 2hgk n VAL 54 Cb 0.00 -0.44 -0.08 0.00 -0.91 0.00 0.00 33.84 32.41 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 -1.27 0.59 7.52 5.85 -1.55 0.41 115.31 126.86 2hgk h LEU 55 Ca 0.00 0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 2hgk h LEU 55 Cb 0.00 0.46 0.01 0.00 0.37 0.00 0.00 40.66 41.50 2hgk h LEU 55 CO 0.00 -0.46 -0.28 0.40 -0.34 0.00 0.00 178.44 177.75 2hgk h ILE 56 N -0.64 0.41 -0.81 4.05 2.04 -1.78 0.44 117.51 121.22 2hgk h ILE 56 Ca -0.01 -0.07 -0.00 0.00 1.00 0.00 0.00 64.86 65.77 2hgk h ILE 56 Cb 0.63 0.44 -0.04 0.00 -0.74 0.00 0.00 36.82 37.11 2hgk h ILE 56 CO -0.21 0.01 0.49 -0.65 0.00 0.00 0.00 178.15 177.79 2hgk h PRO 57 N -0.84 1.10 -0.38 2.37 0.11 -1.73 -0.33 132.00 132.30 2hgk h PRO 57 Ca -0.08 -0.10 -0.04 0.00 0.11 0.00 0.00 66.00 65.89 2hgk h PRO 57 Cb 0.62 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.49 2hgk h PRO 57 CO 0.13 0.77 0.07 -0.09 -0.21 0.00 0.00 178.00 178.67 2hgk h ARG 58 N 1.12 0.62 -0.26 1.05 2.43 -0.03 -1.99 114.38 117.31 2hgk h ARG 58 Ca 0.29 -0.16 -0.09 0.00 -0.81 0.00 0.00 59.98 59.21 2hgk h ARG 58 Cb -0.05 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 2hgk h ARG 58 CO -0.05 0.67 -0.21 0.52 -1.51 0.00 0.00 179.97 179.39 2hgk h MET 59 N 0.47 0.48 -0.57 0.20 2.86 -0.64 -0.23 114.93 117.51 2hgk h MET 59 Ca 0.12 -0.17 0.08 0.00 -2.06 0.00 0.00 59.70 57.67 2hgk h MET 59 Cb 0.35 -0.04 -0.06 0.00 0.06 0.00 0.00 31.60 31.91 2hgk h MET 59 CO 0.01 0.67 0.23 0.45 1.06 0.00 0.00 176.91 179.32 2hgk h HIS 60 N 0.44 0.40 -0.03 -0.22 3.86 -0.74 0.67 115.15 119.52 2hgk h HIS 60 Ca 0.07 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.30 2hgk h HIS 60 Cb 0.61 -0.09 -0.00 0.00 1.06 0.00 0.00 27.41 28.98 2hgk h HIS 60 CO 0.02 0.13 0.01 0.22 0.86 0.00 0.00 177.93 179.17 2hgk h ASP 61 N 0.42 0.05 -0.43 2.45 1.82 -0.72 -1.00 116.42 119.01 2hgk h ASP 61 Ca 0.28 -0.25 0.08 0.00 -0.39 0.00 0.00 57.03 56.74 2hgk h ASP 61 Cb 0.30 -0.01 -0.07 0.00 0.68 0.00 0.00 39.33 40.23 2hgk h ASP 61 CO -0.26 0.29 0.03 0.25 -1.61 0.00 0.00 179.24 177.93 2hgk h LEU 62 N -0.19 -0.12 -0.08 2.28 5.85 -0.70 -1.47 115.31 120.88 2hgk h LEU 62 Ca 0.01 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 2hgk h LEU 62 Cb 0.26 0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.44 2hgk h LEU 62 CO 0.00 -0.03 -0.06 -0.07 -0.34 0.00 0.00 178.44 177.94 2hgk h LEU 63 N 0.14 0.19 -1.34 2.25 3.38 -0.83 -1.22 115.31 117.89 2hgk h LEU 63 Ca 0.21 -0.46 -0.06 0.00 0.09 0.00 0.00 57.88 57.66 2hgk h LEU 63 Cb 0.30 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2hgk h LEU 63 CO -0.33 0.61 -0.29 -0.78 0.09 0.00 0.00 178.44 177.74 2hgk h ASP 64 N -0.22 0.00 -0.32 -0.43 3.58 -0.99 -0.08 116.42 117.95 2hgk h ASP 64 Ca 0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.46 2hgk h ASP 64 Cb 0.55 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.60 2hgk h ASP 64 CO 0.02 0.29 0.00 0.59 -2.88 0.00 0.00 179.24 177.26 2hgk n ASN 65 N -3.75 1.72 -2.35 2.28 3.02 -0.57 -4.89 115.26 110.71 2hgk n ASN 65 Ca -0.01 -2.01 -0.18 0.00 -0.03 0.00 0.00 54.58 52.36 2hgk n ASN 65 Cb 0.39 -0.22 -0.01 0.00 -0.61 0.00 0.00 39.78 39.33 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 0.43 -1.85 -2.51 3.52 5.02 -0.04 -4.93 118.16 117.79 2hgk n LYS 66 Ca 0.11 0.87 -0.36 0.00 -2.02 0.00 0.00 58.31 56.91 2hgk n LYS 66 Cb 0.27 -5.50 -0.03 0.00 -0.02 0.00 0.00 35.03 29.75 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 -4.93 4.03 0.29 1.97 -1.52 -0.47 -4.98 119.66 114.05 2hgk s GLN 67 Ca 0.00 1.51 -0.30 0.00 -1.95 0.00 0.00 55.36 54.62 2hgk s GLN 67 Cb 0.00 -2.42 -0.11 0.00 -0.22 0.00 0.00 33.01 30.26 2hgk s GLN 67 CO 0.00 -0.26 1.57 -2.14 -0.25 0.00 0.00 175.29 174.21 2hgk s PRO 68 N -2.69 4.14 0.80 2.91 0.02 -1.26 -4.75 135.00 134.16 2hgk s PRO 68 Ca 0.61 2.54 -0.11 0.00 0.02 0.00 0.00 61.00 64.06 2hgk s PRO 68 Cb -0.22 -3.03 0.07 0.00 0.02 0.00 0.00 34.50 31.34 2hgk s PRO 68 CO 0.27 -0.60 1.09 -0.51 -0.33 0.00 0.00 177.00 176.91 2hgk s LEU 69 N -0.54 2.78 0.36 -5.54 1.43 -1.26 -4.92 118.68 110.98 2hgk s LEU 69 Ca 0.62 1.62 0.27 0.00 -1.03 0.00 0.00 54.13 55.61 2hgk s LEU 69 Cb -0.47 -4.26 1.19 0.00 0.03 0.00 0.00 46.19 42.68 2hgk s LEU 69 CO 0.48 -2.09 1.81 1.55 0.23 0.00 0.00 176.35 178.33 2hgk h PRO 70 N -1.17 0.00 -0.92 1.29 0.13 -1.94 -3.47 132.00 125.92 2hgk h PRO 70 Ca -0.46 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.32 2hgk h PRO 70 Cb 1.25 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.24 2hgk h PRO 70 CO 0.54 0.00 -0.33 0.41 -0.23 0.00 0.00 178.00 178.39 2hgk n GLY 71 N -0.29 1.59 1.35 1.56 0.00 -1.26 -4.70 105.19 103.44 2hgk n GLY 71 Ca 0.01 -0.19 -0.03 0.00 0.00 0.00 0.00 46.02 45.81 2hgk n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hgk n ALA 72 N 1.13 0.96 -2.75 4.61 0.00 -1.25 -4.34 120.51 118.86 2hgk n ALA 72 Ca -0.18 -0.43 -0.42 0.00 0.00 0.00 0.00 53.44 52.41 2hgk n ALA 72 Cb 0.57 -0.45 -0.03 0.00 0.00 0.00 0.00 19.45 19.54 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 0.03 2.74 -0.38 0.00 5.36 -1.26 -4.92 117.98 119.55 2hgk s PHE 73 Ca 0.02 -0.88 0.02 0.00 -0.96 0.00 0.00 56.93 55.13 2hgk s PHE 73 Cb 0.10 -4.46 0.11 0.00 -0.34 0.00 0.00 43.02 38.43 2hgk s PHE 73 CO -0.03 -1.74 0.13 0.00 -1.46 0.00 0.00 175.22 172.12 2hgk s ALA 74 N 4.06 2.42 -0.31 11.12 0.00 -1.26 -4.71 121.76 133.08 2hgk s ALA 74 Ca 0.35 -2.40 0.15 0.00 0.00 0.00 0.00 51.96 50.06 2hgk s ALA 74 Cb -0.06 -1.88 -0.20 0.00 0.00 0.00 0.00 23.12 20.98 2hgk s ALA 74 CO -0.03 -1.80 0.45 1.33 0.00 0.00 0.00 175.76 175.72 2hgk n VAL 75 N 4.13 0.00 -0.09 0.00 0.24 -1.26 -4.63 118.33 116.73 2hgk n VAL 75 Ca 0.03 -0.26 -0.06 0.00 -2.04 0.00 0.00 64.34 62.01 2hgk n VAL 75 Cb 0.39 0.53 0.01 0.00 -1.47 0.00 0.00 33.84 33.30 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 1.67 0.33 -0.79 2.33 0.00 -1.91 -1.32 119.26 119.57 2hgk h ALA 76 Ca 0.00 0.07 0.13 0.00 0.00 0.00 0.00 54.91 55.10 2hgk h ALA 76 Cb 0.53 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.36 2hgk h ALA 76 CO 0.00 -0.36 0.52 -1.00 0.00 0.00 0.00 179.25 178.41 2hgk h PRO 77 N 0.15 0.58 0.05 0.00 0.13 -2.00 -0.28 132.00 130.63 2hgk h PRO 77 Ca 0.15 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2hgk h PRO 77 Cb 0.18 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.18 2hgk h PRO 77 CO -0.22 0.38 -0.02 -0.92 -0.23 0.00 0.00 178.00 176.99 2hgk h TYR 78 N 0.59 -0.06 0.00 1.56 3.20 -1.59 -3.15 116.97 117.52 2hgk h TYR 78 Ca 0.38 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.23 2hgk h TYR 78 Cb 0.65 0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.94 2hgk h TYR 78 CO -0.00 0.41 -0.07 1.88 -1.64 0.00 0.00 178.16 178.73 2hgk h TYR 79 N -0.55 0.00 0.00 -3.82 -1.99 -0.82 0.34 116.97 110.12 2hgk h TYR 79 Ca -0.01 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.70 2hgk h TYR 79 Cb 0.49 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.22 2hgk h TYR 79 CO 0.09 0.07 -0.09 1.49 -0.00 0.00 0.00 178.16 179.71 2hgk h GLU 80 N 0.00 0.00 0.00 4.88 4.57 -1.02 -1.70 114.58 121.31 2hgk h GLU 80 Ca -0.00 0.00 -0.26 0.00 -1.18 0.00 0.00 59.36 57.92 2hgk h GLU 80 Cb 0.13 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.67 2hgk h GLU 80 CO 0.01 0.09 -1.97 -1.33 -1.18 0.00 0.00 179.01 174.63 2hgk n MET 81 N -3.80 1.23 0.13 1.92 2.81 -0.32 -4.59 117.12 114.50 2hgk n MET 81 Ca -0.02 0.04 0.00 0.00 -1.81 0.00 0.00 57.70 55.91 2hgk n MET 81 Cb 0.19 -1.35 0.11 0.00 -0.71 0.00 0.00 33.22 31.46 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 0.41 0.74 -2.74 3.04 0.00 -0.35 -3.43 119.26 116.93 2hgk h ALA 82 Ca -0.38 -0.56 -0.61 0.00 0.00 0.00 0.00 54.91 53.37 2hgk h ALA 82 Cb 1.75 -0.10 -0.12 0.00 0.00 0.00 0.00 17.79 19.33 2hgk h ALA 82 CO -0.01 0.76 -0.10 -0.51 0.00 0.00 0.00 179.25 179.39 2hgk s LEU 83 N -6.90 4.12 0.61 0.00 1.43 -0.64 -5.04 118.68 112.27 2hgk s LEU 83 Ca 0.01 0.56 -0.15 0.00 -1.03 0.00 0.00 54.13 53.52 2hgk s LEU 83 Cb 0.10 -2.61 -0.03 0.00 0.03 0.00 0.00 46.19 43.68 2hgk s LEU 83 CO 0.75 -0.17 1.06 0.00 0.23 0.00 0.00 176.35 178.22 2hgk s ALA 84 N 1.69 2.71 -1.74 4.21 0.00 -1.26 -4.89 121.76 122.48 2hgk s ALA 84 Ca 0.21 0.35 0.15 0.00 0.00 0.00 0.00 51.96 52.68 2hgk s ALA 84 Cb -0.15 -3.23 0.49 0.00 0.00 0.00 0.00 23.12 20.23 2hgk s ALA 84 CO 0.09 -0.91 1.39 2.41 0.00 0.00 0.00 175.76 178.74 2hgk n THR 85 N -2.24 0.93 0.28 0.00 -1.04 -1.26 -3.84 114.28 107.11 2hgk n THR 85 Ca 0.09 -0.76 0.16 0.00 -2.04 0.00 0.00 64.05 61.49 2hgk n THR 85 Cb 0.53 0.24 0.79 0.00 -1.82 0.00 0.00 70.33 70.07 2hgk n THR 85 CO 0.00 0.00 0.00 -2.24 -0.64 0.00 0.00 175.07 172.19 2hgk h ASP 86 N 3.08 0.00 -3.29 8.00 2.03 -2.04 -3.32 116.42 120.88 2hgk h ASP 86 Ca 0.00 0.00 -0.60 0.00 -0.73 0.00 0.00 57.03 55.70 2hgk h ASP 86 Cb 0.86 0.00 -0.40 0.00 -0.83 0.00 0.00 39.33 38.96 2hgk h ASP 86 CO 0.06 0.07 -0.75 -1.38 -1.03 0.00 0.00 179.24 176.21 2hgk s HIS 87 N -3.98 2.22 -1.63 4.15 -3.43 -1.25 -5.01 115.29 106.36 2hgk s HIS 87 Ca -0.02 -2.04 0.13 0.00 -0.80 0.00 0.00 55.06 52.32 2hgk s HIS 87 Cb 0.12 -2.01 0.68 0.00 -1.43 0.00 0.00 32.58 29.94 2hgk s HIS 87 CO 0.54 -0.89 1.27 -2.30 -2.00 0.00 0.00 174.74 171.36 2hgk n PRO 88 N 4.70 0.26 0.13 -0.38 -0.02 -1.25 -2.94 135.00 135.50 2hgk n PRO 88 Ca -0.01 0.11 0.10 0.00 -2.02 0.00 0.00 63.50 61.68 2hgk n PRO 88 Cb 0.42 -1.50 0.49 0.00 -0.02 0.00 0.00 33.50 32.89 2hgk n PRO 88 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2hgk n GLN 89 N -1.18 0.14 0.29 -0.52 6.02 -1.26 -1.68 117.38 119.18 2hgk n GLN 89 Ca 0.07 0.53 0.16 0.00 -0.01 0.00 0.00 57.00 57.75 2hgk n GLN 89 Cb 0.08 -1.86 0.84 0.00 1.02 0.00 0.00 30.24 30.31 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 -0.69 -1.09 0.11 -1.88 -2.56 114.38 108.26 2hgk h ARG 90 Ca 0.00 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.04 2hgk h ARG 90 Cb 0.15 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.20 2hgk h ARG 90 CO 0.00 0.06 0.29 0.00 0.10 0.00 0.00 179.97 180.42 2hgk h ALA 91 N 1.94 1.21 -0.39 0.08 0.00 -1.62 0.83 119.26 121.30 2hgk h ALA 91 Ca -0.00 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.61 2hgk h ALA 91 Cb 0.30 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2hgk h ALA 91 CO 0.01 0.58 -0.29 -0.07 0.00 0.00 0.00 179.25 179.48 2hgk h LEU 92 N 0.99 0.87 -0.26 0.00 3.38 -1.67 -1.99 115.31 116.63 2hgk h LEU 92 Ca 0.23 -0.35 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 2hgk h LEU 92 Cb 0.17 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2hgk h LEU 92 CO -0.02 1.09 -0.03 0.40 0.09 0.00 0.00 178.44 179.97 2hgk h ILE 93 N 0.71 1.27 -0.77 1.22 2.04 -1.42 -2.72 117.51 117.83 2hgk h ILE 93 Ca 0.08 -0.99 0.03 0.00 1.00 0.00 0.00 64.86 64.98 2hgk h ILE 93 Cb 0.84 1.40 -0.05 0.00 -0.74 0.00 0.00 36.82 38.27 2hgk h ILE 93 CO 0.07 0.31 0.49 -0.07 0.00 0.00 0.00 178.15 178.96 2hgk h LEU 94 N 0.24 0.82 -0.12 1.44 3.38 -0.77 0.72 115.31 121.03 2hgk h LEU 94 Ca 0.07 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.06 2hgk h LEU 94 Cb 0.47 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 2hgk h LEU 94 CO 0.02 0.57 -0.05 0.00 0.09 0.00 0.00 178.44 179.07 2hgk h ALA 95 N 1.32 0.06 -0.36 1.53 0.00 -1.26 -0.06 119.26 120.49 2hgk h ALA 95 Ca 0.30 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.16 2hgk h ALA 95 Cb -0.01 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2hgk h ALA 95 CO -0.10 -0.50 -0.19 1.49 0.00 0.00 0.00 179.25 179.95 2hgk h GLU 96 N -0.03 0.67 -0.92 0.00 4.57 -1.15 -2.43 114.58 115.30 2hgk h GLU 96 Ca 0.06 -0.24 -0.01 0.00 -1.18 0.00 0.00 59.36 58.00 2hgk h GLU 96 Cb 0.13 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.63 2hgk h GLU 96 CO -0.14 0.81 0.55 -0.07 -1.18 0.00 0.00 179.01 178.98 2hgk h LEU 97 N 0.59 1.10 -1.12 1.64 3.38 -0.37 -2.16 115.31 118.37 2hgk h LEU 97 Ca 0.09 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 2hgk h LEU 97 Cb 0.65 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2hgk h LEU 97 CO 0.05 0.85 -0.35 -0.33 0.09 0.00 0.00 178.44 178.74 2hgk h GLU 98 N 1.26 0.16 -0.71 1.13 5.08 -0.60 0.37 114.58 121.26 2hgk h GLU 98 Ca 0.33 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.56 2hgk h GLU 98 Cb -0.05 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 2hgk h GLU 98 CO -0.06 0.49 0.18 -0.22 -1.00 0.00 0.00 179.01 178.40 2hgk h LYS 99 N 0.14 1.13 -0.27 2.33 3.64 -0.95 -1.67 116.57 120.92 2hgk h LYS 99 Ca 0.02 -0.27 -0.18 0.00 -1.27 0.00 0.00 60.65 58.94 2hgk h LYS 99 Cb 0.69 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 2hgk h LYS 99 CO 0.05 0.99 -0.56 1.25 -2.27 0.00 0.00 179.45 178.91 2hgk h LEU 100 N 1.07 0.92 -1.08 5.20 5.85 -0.82 -3.11 115.31 123.35 2hgk h LEU 100 Ca 0.22 -0.50 0.15 0.00 0.84 0.00 0.00 57.88 58.59 2hgk h LEU 100 Cb 0.36 -0.27 -0.09 0.00 0.37 0.00 0.00 40.66 41.04 2hgk h LEU 100 CO 0.00 1.29 0.62 -0.78 -0.34 0.00 0.00 178.44 179.23 2hgk h ASP 101 N 0.63 0.83 0.69 1.25 1.82 0.01 0.21 116.42 121.85 2hgk h ASP 101 Ca 0.01 0.06 -0.04 0.00 -0.39 0.00 0.00 57.03 56.67 2hgk h ASP 101 Cb 1.16 -0.10 -0.01 0.00 0.68 0.00 0.00 39.33 41.06 2hgk h ASP 101 CO 0.12 0.40 -0.20 0.00 -1.61 0.00 0.00 179.24 177.95 2hgk h ALA 102 N 1.58 1.12 -0.03 -0.78 0.00 -1.24 -2.32 119.26 117.59 2hgk h ALA 102 Ca 0.51 -0.18 -0.20 0.00 0.00 0.00 0.00 54.91 55.04 2hgk h ALA 102 Cb 0.66 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 2hgk h ALA 102 CO -0.28 0.25 -0.83 -0.07 0.00 0.00 0.00 179.25 178.31 2hgk h LEU 103 N 0.00 0.47 -1.21 0.00 3.38 -0.98 -2.87 115.31 114.10 2hgk h LEU 103 Ca -0.00 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.63 2hgk h LEU 103 Cb 0.60 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2hgk h LEU 103 CO 0.03 1.11 0.00 0.49 0.09 0.00 0.00 178.44 180.16 2hgk n PHE 104 N -3.77 0.45 0.16 1.13 3.72 -0.93 -2.99 117.46 115.23 2hgk n PHE 104 Ca -0.05 -0.21 0.03 0.00 -0.05 0.00 0.00 57.45 57.17 2hgk n PHE 104 Cb 0.77 -0.04 0.05 0.00 -0.94 0.00 0.00 39.48 39.32 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 0.33 2.37 0.10 4.37 0.00 -0.92 -3.90 120.51 122.86 2hgk n ALA 105 Ca 0.10 -0.72 0.04 0.00 0.00 0.00 0.00 53.44 52.86 2hgk n ALA 105 Cb 0.30 -0.23 -0.05 0.00 0.00 0.00 0.00 19.45 19.47 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 0.29 2.44 -2.94 0.00 2.03 -1.16 -5.04 116.55 112.17 2hgk n ASP 106 Ca 0.05 -0.19 0.00 0.00 0.52 0.00 0.00 54.79 55.16 2hgk n ASP 106 Cb 0.22 1.24 0.00 0.00 -0.72 0.00 0.00 41.12 41.87 2hgk n ASP 106 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2hgk n ASP 107 N -1.59 -0.00 -4.48 1.67 5.75 -1.23 -4.91 116.55 111.75 2hgk n ASP 107 Ca -0.01 -0.06 -0.43 0.00 -0.01 0.00 0.00 54.79 54.28 2hgk n ASP 107 Cb 0.17 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.25 2hgk n ASP 107 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2hgk s ALA 108 N -3.99 3.48 0.14 2.12 0.00 -1.26 -4.99 121.76 117.26 2hgk s ALA 108 Ca 0.00 -2.91 -0.30 0.00 0.00 0.00 0.00 51.96 48.75 2hgk s ALA 108 Cb 0.00 -4.21 -0.07 0.00 0.00 0.00 0.00 23.12 18.85 2hgk s ALA 108 CO 0.00 -3.04 0.98 -1.12 0.00 0.00 0.00 175.76 172.58 2hgk s SER 109 N 3.62 7.49 0.01 0.00 0.01 -1.26 -4.45 113.70 119.13 2hgk s SER 109 Ca 0.40 1.86 0.23 0.00 1.31 0.00 0.00 55.95 59.75 2hgk s SER 109 Cb -0.03 -2.59 0.07 0.00 0.21 0.00 0.00 66.02 63.68 2hgk s SER 109 CO -0.05 -0.05 1.08 0.18 0.41 0.00 0.00 173.24 174.82 2hgk n LEU 110 N 2.50 0.72 0.10 2.44 4.77 -1.26 -4.03 117.00 122.24 2hgk n LEU 110 Ca 0.02 -0.22 -0.03 0.00 -0.03 0.00 0.00 56.01 55.75 2hgk n LEU 110 Cb 0.48 -0.10 -0.06 0.00 -2.33 0.00 0.00 43.42 41.42 2hgk n LEU 110 CO 0.51 0.16 0.28 1.05 -1.33 0.00 0.00 177.39 178.06 2hgk h GLU 111 N 0.00 0.00 -5.11 3.23 4.11 -1.92 -3.44 114.58 111.45 2hgk h GLU 111 Ca 0.00 0.00 -0.51 0.00 0.07 0.00 0.00 59.36 58.92 2hgk h GLU 111 Cb 0.56 0.00 -0.31 0.00 0.50 0.00 0.00 28.75 29.51 2hgk h GLU 111 CO 0.00 0.77 -0.82 -1.01 0.07 0.00 0.00 179.01 178.02 2hgk s HIS 112 N -2.82 1.43 0.48 2.06 3.76 -1.26 -5.04 115.29 113.90 2hgk s HIS 112 Ca 0.02 -0.37 0.18 0.00 -0.15 0.00 0.00 55.06 54.74 2hgk s HIS 112 Cb 0.09 -0.97 1.23 0.00 1.11 0.00 0.00 32.58 34.04 2hgk s HIS 112 CO 0.79 -0.12 2.07 0.45 -0.85 0.00 0.00 174.74 177.08 2hgk h HIS 113 N 6.21 0.00 -5.96 1.40 3.86 -1.86 -3.42 115.15 115.38 2hgk h HIS 113 Ca -0.33 0.00 -0.40 0.00 -1.16 0.00 0.00 60.37 58.47 2hgk h HIS 113 Cb 1.17 0.00 0.09 0.00 1.06 0.00 0.00 27.41 29.73 2hgk h HIS 113 CO 0.43 0.11 -0.76 1.58 0.86 0.00 0.00 177.93 180.15 2hgk n HIS 114 N -4.22 -2.32 -2.37 2.45 -0.00 -1.26 -1.53 115.22 105.96 2hgk n HIS 114 Ca -0.03 0.93 -0.12 0.00 0.46 0.00 0.00 57.72 58.96 2hgk n HIS 114 Cb 0.19 -4.65 0.00 0.00 -0.12 0.00 0.00 29.99 25.41 2hgk n HIS 114 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2hgk n HIS 115 N -4.51 -0.74 0.11 1.57 8.25 -1.26 -4.92 115.22 113.70 2hgk n HIS 115 Ca -0.15 0.09 -0.21 0.00 -0.26 0.00 0.00 57.72 57.20 2hgk n HIS 115 Cb 0.61 -2.81 -0.13 0.00 1.12 0.00 0.00 29.99 28.78 2hgk n HIS 115 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2hgk h HIS 116 N -0.25 0.89 0.00 4.41 6.17 -1.66 -3.56 115.15 121.15 2hgk h HIS 116 Ca -0.29 -0.59 0.00 0.00 0.71 0.00 0.00 60.37 60.20 2hgk h HIS 116 Cb 1.21 -0.06 0.00 0.00 2.52 0.00 0.00 27.41 31.08 2hgk h HIS 116 CO 0.31 1.44 0.00 1.58 0.71 0.00 0.00 177.93 181.97