#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgk n THR 2 N 0.00 0.00 0.17 2.03 -1.04 -1.26 -2.82 114.28 111.36 2hgk n THR 2 Ca 0.00 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 62.04 2hgk n THR 2 Cb 0.00 -0.47 0.28 0.00 -1.82 0.00 0.00 70.33 68.32 2hgk n THR 2 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 2hgk h THR 3 N 0.00 1.09 -0.50 12.58 2.02 -2.00 -2.79 112.91 123.31 2hgk h THR 3 Ca 0.00 -1.71 0.04 0.00 0.77 0.00 0.00 66.41 65.51 2hgk h THR 3 Cb 0.00 1.99 -0.04 0.00 -1.74 0.00 0.00 68.15 68.36 2hgk h THR 3 CO 0.00 0.45 0.25 0.45 0.37 0.00 0.00 175.52 177.04 2hgk h HIS 4 N 0.00 0.46 -0.57 3.16 -0.00 -1.91 -1.93 115.15 114.37 2hgk h HIS 4 Ca -0.00 0.02 0.01 0.00 -0.00 0.00 0.00 60.37 60.40 2hgk h HIS 4 Cb 0.95 -0.13 -0.03 0.00 -0.00 0.00 0.00 27.41 28.20 2hgk h HIS 4 CO 0.00 0.23 0.38 -0.44 -0.00 0.00 0.00 177.93 178.09 2hgk h ASP 5 N 0.49 0.64 0.43 2.45 5.19 -1.72 -2.37 116.42 121.53 2hgk h ASP 5 Ca 0.22 -0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.60 2hgk h ASP 5 Cb 0.13 -0.16 -0.00 0.00 0.18 0.00 0.00 39.33 39.48 2hgk h ASP 5 CO -0.15 0.46 -0.24 0.03 -3.12 0.00 0.00 179.24 176.21 2hgk h ARG 6 N 0.75 -0.60 -0.70 3.56 3.08 -1.22 -2.40 114.38 116.84 2hgk h ARG 6 Ca 0.21 0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.31 2hgk h ARG 6 Cb -0.05 0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.10 2hgk h ARG 6 CO -0.05 -0.40 0.46 0.28 -1.07 0.00 0.00 179.97 179.19 2hgk h VAL 7 N -0.63 1.18 -0.33 2.04 2.07 -1.08 -0.31 116.25 119.20 2hgk h VAL 7 Ca -0.05 -0.33 -0.06 0.00 0.82 0.00 0.00 66.70 67.07 2hgk h VAL 7 Cb 0.50 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 2hgk h VAL 7 CO 0.07 0.18 -0.04 -0.09 0.02 0.00 0.00 177.57 177.71 2hgk h ARG 8 N 0.95 0.61 -0.00 1.57 2.43 -1.33 0.21 114.38 118.82 2hgk h ARG 8 Ca 0.26 -0.22 -0.07 0.00 -0.81 0.00 0.00 59.98 59.14 2hgk h ARG 8 Cb -0.11 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 2hgk h ARG 8 CO -0.05 0.76 -0.31 -0.07 -1.51 0.00 0.00 179.97 178.79 2hgk h LEU 9 N 0.40 0.00 -0.37 3.80 3.38 -0.90 -1.80 115.31 119.82 2hgk h LEU 9 Ca 0.09 -0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.87 2hgk h LEU 9 Cb 0.52 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 2hgk h LEU 9 CO 0.03 0.31 -0.81 -0.61 0.09 0.00 0.00 178.44 177.45 2hgk h GLN 10 N 0.00 0.23 -0.35 1.13 5.75 -0.54 0.12 115.11 121.44 2hgk h GLN 10 Ca -0.00 -0.22 -0.06 0.00 -0.15 0.00 0.00 58.65 58.22 2hgk h GLN 10 Cb 0.55 0.06 -0.02 0.00 1.07 0.00 0.00 27.48 29.14 2hgk h GLN 10 CO 0.04 0.92 -0.04 -0.07 -2.65 0.00 0.00 178.83 177.03 2hgk h LEU 11 N 0.14 0.53 -0.20 -2.39 3.38 -0.06 0.28 115.31 117.00 2hgk h LEU 11 Ca -0.04 -0.12 -0.17 0.00 0.09 0.00 0.00 57.88 57.65 2hgk h LEU 11 Cb 1.40 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.99 2hgk h LEU 11 CO 0.13 0.63 -0.79 1.56 0.09 0.00 0.00 178.44 180.05 2hgk h GLN 12 N 0.53 0.00 -0.07 1.13 4.20 -1.13 0.85 115.11 120.63 2hgk h GLN 12 Ca 0.11 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 2hgk h GLN 12 Cb 0.40 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.18 2hgk h GLN 12 CO 0.02 0.79 -0.01 0.00 -0.67 0.00 0.00 178.83 178.96 2hgk h ALA 13 N 1.21 0.09 -0.84 3.87 0.00 -0.20 0.41 119.26 123.79 2hgk h ALA 13 Ca -0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2hgk h ALA 13 Cb 1.52 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.24 2hgk h ALA 13 CO 0.10 -0.20 0.47 1.25 0.00 0.00 0.00 179.25 180.87 2hgk h LEU 14 N -0.20 1.04 -0.55 0.00 5.85 -0.47 -0.84 115.31 120.13 2hgk h LEU 14 Ca 0.02 -0.08 0.06 0.00 0.84 0.00 0.00 57.88 58.72 2hgk h LEU 14 Cb 0.39 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.10 2hgk h LEU 14 CO 0.01 0.82 0.24 -0.08 -0.34 0.00 0.00 178.44 179.09 2hgk h GLU 15 N 1.17 0.45 -0.66 1.25 4.81 -0.64 0.20 114.58 121.15 2hgk h GLU 15 Ca 0.30 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.44 2hgk h GLU 15 Cb 0.01 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.26 2hgk h GLU 15 CO -0.05 0.29 0.16 0.00 -0.73 0.00 0.00 179.01 178.68 2hgk h ALA 16 N 1.33 0.86 -0.08 2.92 0.00 -0.20 0.31 119.26 124.41 2hgk h ALA 16 Ca 0.26 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2hgk h ALA 16 Cb 0.23 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 2hgk h ALA 16 CO -0.22 0.58 0.03 1.25 0.00 0.00 0.00 179.25 180.89 2hgk h LEU 17 N 0.97 0.11 -1.49 0.00 6.46 -0.58 0.12 115.31 120.90 2hgk h LEU 17 Ca 0.21 -0.16 -0.03 0.00 -0.12 0.00 0.00 57.88 57.78 2hgk h LEU 17 Cb 0.36 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.25 2hgk h LEU 17 CO 0.00 0.23 0.05 -0.07 -0.62 0.00 0.00 178.44 178.03 2hgk h LEU 18 N -0.03 0.35 0.35 2.25 3.38 -0.45 -0.16 115.31 120.99 2hgk h LEU 18 Ca 0.03 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2hgk h LEU 18 Cb 0.16 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2hgk h LEU 18 CO -0.00 0.37 -0.17 -0.09 0.09 0.00 0.00 178.44 178.64 2hgk h ARG 19 N 0.38 -0.45 -0.61 1.13 2.43 0.14 0.47 114.38 117.87 2hgk h ARG 19 Ca 0.09 0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 2hgk h ARG 19 Cb 0.18 0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.80 2hgk h ARG 19 CO -0.00 -0.22 0.34 0.93 -1.51 0.00 0.00 179.97 179.51 2hgk h GLU 20 N -0.59 0.85 -0.34 0.20 5.08 -0.42 -2.00 114.58 117.37 2hgk h GLU 20 Ca -0.05 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 2hgk h GLU 20 Cb 0.43 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2hgk h GLU 20 CO 0.08 0.65 0.00 0.72 -1.00 0.00 0.00 179.01 179.45 2hgk n HIS 21 N -4.57 0.31 -3.61 4.33 8.25 -0.10 -4.89 115.22 114.95 2hgk n HIS 21 Ca 0.04 -0.14 -0.26 0.00 -0.26 0.00 0.00 57.72 57.10 2hgk n HIS 21 Cb 0.08 -0.04 0.05 0.00 1.12 0.00 0.00 29.99 31.20 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 0.08 -6.47 0.00 -0.41 6.02 -0.31 -4.83 117.38 111.44 2hgk n GLN 22 Ca 0.06 0.74 0.08 0.00 -0.01 0.00 0.00 57.00 57.88 2hgk n GLN 22 Cb 0.23 -5.70 -0.05 0.00 1.02 0.00 0.00 30.24 25.74 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 -4.78 0.00 -3.00 1.08 8.25 0.15 -4.80 115.22 112.12 2hgk n HIS 23 Ca 0.00 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 57.02 2hgk n HIS 23 Cb 0.56 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.64 2hgk n HIS 23 CO 0.00 0.00 0.00 -0.46 0.64 0.00 0.00 176.34 176.52 2hgk s TRP 24 N -2.30 3.19 0.39 4.41 -0.11 -0.77 -4.95 118.94 118.80 2hgk s TRP 24 Ca 0.11 -1.42 0.08 0.00 1.22 0.00 0.00 56.10 56.09 2hgk s TRP 24 Cb 0.14 -4.20 -0.05 0.00 -1.50 0.00 0.00 33.47 27.86 2hgk s TRP 24 CO 0.56 -1.41 0.17 1.03 -4.62 0.00 0.00 176.95 172.68 2hgk s ARG 25 N 2.36 2.27 0.36 5.86 0.52 -1.26 -4.85 118.95 124.21 2hgk s ARG 25 Ca 0.29 -1.74 0.24 0.00 -0.52 0.00 0.00 55.73 53.99 2hgk s ARG 25 Cb -0.07 -2.05 0.43 0.00 0.52 0.00 0.00 34.95 33.78 2hgk s ARG 25 CO -0.07 -0.04 1.61 -0.97 0.02 0.00 0.00 175.30 175.84 2hgk h ASN 26 N 1.47 0.00 -3.34 0.23 -1.24 -2.02 -3.44 115.58 107.24 2hgk h ASN 26 Ca -0.43 -0.01 -0.58 0.00 0.71 0.00 0.00 56.30 55.99 2hgk h ASN 26 Cb 1.25 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 40.23 2hgk h ASN 26 CO 0.67 0.00 0.30 -1.81 -1.29 0.00 0.00 177.43 175.30 2hgk s ASP 27 N -5.72 6.89 0.01 1.15 1.11 -1.26 -5.06 116.67 113.79 2hgk s ASP 27 Ca 0.07 1.08 -0.01 0.00 0.18 0.00 0.00 52.55 53.88 2hgk s ASP 27 Cb 0.07 -2.42 -0.04 0.00 1.07 0.00 0.00 42.92 41.60 2hgk s ASP 27 CO 0.66 -0.35 0.15 -1.83 1.18 0.00 0.00 175.17 174.98 2hgk s GLU 28 N 1.99 3.28 1.05 8.23 4.04 -1.26 -5.10 118.70 130.93 2hgk s GLU 28 Ca 0.36 -0.42 -0.14 0.00 0.04 0.00 0.00 54.97 54.81 2hgk s GLU 28 Cb -0.16 -2.99 0.13 0.00 0.02 0.00 0.00 34.13 31.13 2hgk s GLU 28 CO 0.12 0.65 0.54 -2.30 -1.84 0.00 0.00 175.26 172.43 2hgk n PRO 29 N 0.90 -1.23 -1.72 -4.83 -0.02 -1.26 -4.92 135.00 121.93 2hgk n PRO 29 Ca -0.11 -0.32 -0.40 0.00 -2.02 0.00 0.00 63.50 60.65 2hgk n PRO 29 Cb 0.52 -1.97 0.02 0.00 -0.02 0.00 0.00 33.50 32.05 2hgk n PRO 29 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2hgk n GLN 30 N -2.99 1.96 0.27 -0.52 10.64 -1.26 -4.89 117.38 120.59 2hgk n GLN 30 Ca 0.05 0.70 0.11 0.00 -1.83 0.00 0.00 57.00 56.03 2hgk n GLN 30 Cb 0.56 -2.44 0.73 0.00 -0.86 0.00 0.00 30.24 28.23 2hgk n GLN 30 CO 0.00 0.00 0.00 -1.35 -1.83 0.00 0.00 177.06 173.88 2hgk h PRO 31 N 2.06 0.00 0.00 2.61 0.11 -2.00 -0.87 132.00 133.90 2hgk h PRO 31 Ca -0.49 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 2hgk h PRO 31 Cb 1.29 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.40 2hgk h PRO 31 CO 0.60 0.07 -0.08 1.25 -0.21 0.00 0.00 178.00 179.63 2hgk h HIS 32 N 0.00 0.00 0.00 0.65 6.17 -2.01 -1.23 115.15 118.74 2hgk h HIS 32 Ca -0.00 0.00 -0.16 0.00 0.71 0.00 0.00 60.37 60.92 2hgk h HIS 32 Cb 0.16 0.00 -0.02 0.00 2.52 0.00 0.00 27.41 30.07 2hgk h HIS 32 CO 0.00 0.08 -0.76 0.37 0.71 0.00 0.00 177.93 178.33 2hgk h GLN 33 N 0.00 0.00 0.00 5.26 4.15 -1.51 -2.91 115.11 120.10 2hgk h GLN 33 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2hgk h GLN 33 Cb 0.25 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.94 2hgk h GLN 33 CO 0.01 0.76 0.00 0.34 -1.93 0.00 0.00 178.83 178.01 2hgk n PHE 34 N -3.56 0.00 0.72 3.99 7.35 -0.47 -2.45 117.46 123.03 2hgk n PHE 34 Ca -0.00 0.00 0.13 0.00 -0.76 0.00 0.00 57.45 56.81 2hgk n PHE 34 Cb 0.75 -0.38 0.37 0.00 0.35 0.00 0.00 39.48 40.58 2hgk n PHE 34 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 2hgk n ASN 35 N -1.38 0.60 -4.56 -2.13 5.15 -1.10 -4.64 115.26 107.20 2hgk n ASN 35 Ca 0.09 0.36 -0.41 0.00 -0.60 0.00 0.00 54.58 54.03 2hgk n ASN 35 Cb 0.24 -0.38 -0.03 0.00 -0.53 0.00 0.00 39.78 39.08 2hgk n ASN 35 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 2hgk s SER 36 N -4.01 5.96 -0.01 1.20 0.01 -1.03 -4.83 113.70 111.00 2hgk s SER 36 Ca 0.10 -0.07 0.07 0.00 1.31 0.00 0.00 55.95 57.36 2hgk s SER 36 Cb 0.14 -2.55 0.22 0.00 0.21 0.00 0.00 66.02 64.04 2hgk s SER 36 CO 0.63 -1.92 1.14 1.07 0.41 0.00 0.00 173.24 174.57 2hgk n THR 37 N 6.70 0.40 -1.88 1.44 5.66 -1.26 -4.56 114.28 120.77 2hgk n THR 37 Ca 0.09 -0.34 -0.40 0.00 -3.05 0.00 0.00 64.05 60.36 2hgk n THR 37 Cb 0.50 0.08 0.01 0.00 -1.55 0.00 0.00 70.33 69.37 2hgk n THR 37 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 175.07 170.44 2hgk s GLN 38 N -1.67 3.73 0.26 1.09 2.00 -1.26 -4.92 119.66 118.89 2hgk s GLN 38 Ca 0.16 2.32 -0.30 0.00 -2.00 0.00 0.00 55.36 55.54 2hgk s GLN 38 Cb 0.09 -2.65 -0.14 0.00 0.80 0.00 0.00 33.01 31.11 2hgk s GLN 38 CO 0.10 -0.74 1.25 -2.30 -0.50 0.00 0.00 175.29 173.10 2hgk n PRO 39 N -0.17 1.74 -1.02 1.67 -0.02 -1.26 -0.25 135.00 135.70 2hgk n PRO 39 Ca 0.05 0.62 -0.01 0.00 -2.02 0.00 0.00 63.50 62.14 2hgk n PRO 39 Cb 0.43 -2.16 -0.00 0.00 -0.02 0.00 0.00 33.50 31.74 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 1.13 0.00 -3.22 6.00 3.01 -1.26 -2.29 117.46 120.84 2hgk n PHE 40 Ca 0.10 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.33 2hgk n PHE 40 Cb 0.31 -1.93 0.02 0.00 -0.01 0.00 0.00 39.48 37.88 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 -2.07 -1.94 -2.07 1.38 3.01 0.66 -4.63 117.46 111.79 2hgk n PHE 41 Ca -0.01 0.53 -0.42 0.00 1.01 0.00 0.00 57.45 58.57 2hgk n PHE 41 Cb 0.48 -3.84 -0.01 0.00 -0.01 0.00 0.00 39.48 36.09 2hgk n PHE 41 CO 0.00 0.00 0.00 -1.33 1.01 0.00 0.00 176.76 176.44 2hgk n MET 42 N -3.96 2.83 0.12 -1.08 2.81 -0.97 -3.98 117.12 112.89 2hgk n MET 42 Ca -0.06 -2.83 0.00 0.00 -1.81 0.00 0.00 57.70 53.00 2hgk n MET 42 Cb 0.58 -3.38 0.00 0.00 -0.71 0.00 0.00 33.22 29.71 2hgk n MET 42 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2hgk n ASP 43 N 7.68 -1.61 -0.03 7.83 2.03 -1.26 -4.92 116.55 126.26 2hgk n ASP 43 Ca 0.50 0.44 -0.16 0.00 0.52 0.00 0.00 54.79 56.10 2hgk n ASP 43 Cb 0.43 1.67 -0.08 0.00 -0.72 0.00 0.00 41.12 42.42 2hgk n ASP 43 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 2hgk h THR 44 N 0.00 1.36 -3.97 5.18 1.35 -1.89 -3.47 112.91 111.48 2hgk h THR 44 Ca 0.00 -1.78 -0.28 0.00 -0.55 0.00 0.00 66.41 63.79 2hgk h THR 44 Cb 0.00 2.13 -0.06 0.00 -1.73 0.00 0.00 68.15 68.49 2hgk h THR 44 CO 0.00 0.54 -0.23 0.23 -0.25 0.00 0.00 175.52 175.81 2hgk n MET 45 N -4.24 0.80 -2.49 4.72 2.81 -1.26 -5.11 117.12 112.35 2hgk n MET 45 Ca -0.08 -1.74 -0.31 0.00 -1.81 0.00 0.00 57.70 53.77 2hgk n MET 45 Cb 0.59 0.91 -0.02 0.00 -0.71 0.00 0.00 33.22 33.99 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 -2.79 3.78 -0.81 0.03 2.02 -1.26 -4.54 118.70 115.13 2hgk s GLU 46 Ca 0.10 0.66 -0.25 0.00 0.02 0.00 0.00 54.97 55.50 2hgk s GLU 46 Cb 0.00 -2.24 -0.04 0.00 0.10 0.00 0.00 34.13 31.96 2hgk s GLU 46 CO 0.07 -0.24 1.91 -2.14 0.02 0.00 0.00 175.26 174.88 2hgk s PRO 47 N -4.27 2.59 0.33 0.39 0.02 -1.26 -4.28 135.00 128.52 2hgk s PRO 47 Ca 0.54 -0.02 0.00 0.00 0.02 0.00 0.00 61.00 61.54 2hgk s PRO 47 Cb -0.10 -4.85 0.00 0.00 0.02 0.00 0.00 34.50 29.57 2hgk s PRO 47 CO 0.37 -3.16 0.00 -0.11 -0.33 0.00 0.00 177.00 173.77 2hgk n LEU 48 N 13.51 -2.50 0.00 -5.54 7.94 -1.26 -4.84 117.00 124.31 2hgk n LEU 48 Ca 0.34 0.62 0.10 0.00 -1.11 0.00 0.00 56.01 55.95 2hgk n LEU 48 Cb 0.49 2.45 0.51 0.00 0.53 0.00 0.00 43.42 47.40 2hgk n LEU 48 CO 0.63 -0.09 0.80 -0.62 -1.11 0.00 0.00 177.39 177.01 2hgk n GLU 49 N -3.22 0.36 -0.34 1.96 1.02 -1.26 -2.54 120.64 116.62 2hgk n GLU 49 Ca 0.00 0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 2hgk n GLU 49 Cb 0.00 -1.50 0.16 0.00 -0.02 0.00 0.00 31.44 30.08 2hgk n GLU 49 CO 0.00 0.00 0.00 2.35 1.18 0.00 0.00 177.13 180.66 2hgk h TRP 50 N 0.00 1.18 -0.99 -0.32 7.01 -1.87 0.83 115.95 121.79 2hgk h TRP 50 Ca 0.00 0.03 0.09 0.00 2.11 0.00 0.00 58.89 61.12 2hgk h TRP 50 Cb 0.14 -0.40 -0.07 0.00 -2.10 0.00 0.00 29.16 26.73 2hgk h TRP 50 CO 0.00 0.70 0.63 1.25 -2.79 0.00 0.00 178.44 178.23 2hgk h LEU 51 N 1.23 0.98 0.00 0.65 5.85 -1.87 0.12 115.31 122.27 2hgk h LEU 51 Ca 0.37 0.03 -0.39 0.00 0.84 0.00 0.00 57.88 58.73 2hgk h LEU 51 Cb -0.04 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 40.74 2hgk h LEU 51 CO -0.10 0.58 -2.46 0.00 -0.34 0.00 0.00 178.44 176.12 2hgk n GLN 52 N -4.56 0.66 0.03 1.25 10.64 -1.03 -2.48 117.38 121.88 2hgk n GLN 52 Ca 0.17 0.13 -0.07 0.00 -1.83 0.00 0.00 57.00 55.40 2hgk n GLN 52 Cb 0.26 -1.52 -0.12 0.00 -0.86 0.00 0.00 30.24 27.99 2hgk n GLN 52 CO 0.00 0.00 0.00 2.35 -1.83 0.00 0.00 177.06 177.58 2hgk h TRP 53 N 0.00 0.00 0.00 2.61 7.01 -0.86 -3.37 115.95 121.34 2hgk h TRP 53 Ca -0.57 0.00 -0.05 0.00 2.11 0.00 0.00 58.89 60.38 2hgk h TRP 53 Cb 1.96 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 29.01 2hgk h TRP 53 CO 0.03 0.97 -0.74 0.28 -2.79 0.00 0.00 178.44 176.18 2hgk n VAL 54 N -3.20 1.24 0.27 2.65 0.31 -0.42 -4.64 118.33 114.54 2hgk n VAL 54 Ca -0.07 0.19 -0.16 0.00 -0.01 0.00 0.00 64.34 64.28 2hgk n VAL 54 Cb 0.98 -1.90 -0.08 0.00 -0.91 0.00 0.00 33.84 31.92 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 -0.49 -0.67 0.23 7.52 5.85 -0.91 -0.29 115.31 126.56 2hgk h LEU 55 Ca -0.07 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.70 2hgk h LEU 55 Cb 0.65 0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.84 2hgk h LEU 55 CO -0.04 -0.43 -0.39 0.40 -0.34 0.00 0.00 178.44 177.64 2hgk h ILE 56 N -0.69 0.20 -0.58 4.05 2.04 -1.65 0.22 117.51 121.11 2hgk h ILE 56 Ca -0.05 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.78 2hgk h ILE 56 Cb 0.56 0.20 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 2hgk h ILE 56 CO 0.06 0.00 0.26 -0.65 0.00 0.00 0.00 178.15 177.82 2hgk h PRO 57 N -0.70 0.83 -0.34 2.37 0.11 -1.75 -1.10 132.00 131.43 2hgk h PRO 57 Ca 0.00 -0.11 -0.07 0.00 0.11 0.00 0.00 66.00 65.93 2hgk h PRO 57 Cb 0.68 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.62 2hgk h PRO 57 CO -0.16 0.66 -0.06 -0.09 -0.21 0.00 0.00 178.00 178.15 2hgk h ARG 58 N 0.83 0.64 0.00 1.05 2.43 -0.61 -2.59 114.38 116.13 2hgk h ARG 58 Ca 0.20 -0.23 -0.13 0.00 -0.81 0.00 0.00 59.98 59.01 2hgk h ARG 58 Cb 0.12 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 2hgk h ARG 58 CO -0.02 0.79 -0.62 0.52 -1.51 0.00 0.00 179.97 179.13 2hgk h MET 59 N 0.43 0.00 -0.57 0.20 2.86 -0.36 -1.71 114.93 115.78 2hgk h MET 59 Ca 0.09 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.76 2hgk h MET 59 Cb 0.54 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.16 2hgk h MET 59 CO 0.03 0.62 0.33 0.45 1.06 0.00 0.00 176.91 179.40 2hgk h HIS 60 N 0.00 0.62 -0.27 -0.22 3.86 -1.07 0.33 115.15 118.40 2hgk h HIS 60 Ca -0.01 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.22 2hgk h HIS 60 Cb 1.12 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 29.38 2hgk h HIS 60 CO 0.00 0.34 0.17 0.22 0.86 0.00 0.00 177.93 179.51 2hgk h ASP 61 N 0.65 0.33 -0.50 2.45 3.58 -1.13 -0.28 116.42 121.52 2hgk h ASP 61 Ca 0.24 -0.05 -0.02 0.00 0.42 0.00 0.00 57.03 57.62 2hgk h ASP 61 Cb 0.07 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.01 2hgk h ASP 61 CO -0.12 0.28 0.23 0.25 -2.88 0.00 0.00 179.24 177.00 2hgk h LEU 62 N 0.35 0.67 -0.33 2.28 6.46 -0.78 0.44 115.31 124.40 2hgk h LEU 62 Ca 0.10 -0.14 -0.18 0.00 -0.12 0.00 0.00 57.88 57.54 2hgk h LEU 62 Cb 0.01 -0.17 -0.00 0.00 -0.73 0.00 0.00 40.66 39.77 2hgk h LEU 62 CO -0.02 0.62 -0.54 -0.07 -0.62 0.00 0.00 178.44 177.82 2hgk h LEU 63 N 0.67 0.95 -0.64 2.25 3.38 -0.27 -1.84 115.31 119.81 2hgk h LEU 63 Ca 0.17 -0.50 -0.11 0.00 0.09 0.00 0.00 57.88 57.53 2hgk h LEU 63 Cb 0.14 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 2hgk h LEU 63 CO -0.02 1.30 -0.52 -0.78 0.09 0.00 0.00 178.44 178.51 2hgk h ASP 64 N 0.66 0.00 1.11 -0.43 3.58 -0.91 -2.09 116.42 118.34 2hgk h ASP 64 Ca 0.02 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.47 2hgk h ASP 64 Cb 1.14 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.19 2hgk h ASP 64 CO 0.12 0.52 0.00 -3.20 -2.88 0.00 0.00 179.24 173.80 2hgk n ASN 65 N -3.52 0.24 -1.42 2.28 2.85 0.13 -4.91 115.26 110.90 2hgk n ASN 65 Ca -0.00 0.52 -0.13 0.00 -0.11 0.00 0.00 54.58 54.87 2hgk n ASN 65 Cb 0.62 -0.59 -0.01 0.00 1.24 0.00 0.00 39.78 41.04 2hgk n ASN 65 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 2hgk n LYS 66 N -1.72 -1.00 -2.22 1.20 5.02 -0.79 -5.00 118.16 113.65 2hgk n LYS 66 Ca 0.06 0.61 -0.32 0.00 -2.02 0.00 0.00 58.31 56.64 2hgk n LYS 66 Cb 0.36 -4.81 -0.01 0.00 -0.02 0.00 0.00 35.03 30.55 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 -4.60 3.63 0.26 1.97 -0.21 -0.76 -5.00 119.66 114.96 2hgk s GLN 67 Ca 0.00 1.09 -0.30 0.00 0.02 0.00 0.00 55.36 56.17 2hgk s GLN 67 Cb 0.00 -2.08 -0.11 0.00 1.00 0.00 0.00 33.01 31.82 2hgk s GLN 67 CO 0.00 -0.55 1.53 -2.14 -2.12 0.00 0.00 175.29 172.01 2hgk s PRO 68 N -4.06 4.19 0.45 2.91 0.02 -1.26 -4.83 135.00 132.42 2hgk s PRO 68 Ca 0.61 2.45 -0.23 0.00 0.02 0.00 0.00 61.00 63.86 2hgk s PRO 68 Cb -0.13 -3.07 -0.08 0.00 0.02 0.00 0.00 34.50 31.24 2hgk s PRO 68 CO 0.34 -0.54 1.09 -0.51 -0.33 0.00 0.00 177.00 177.05 2hgk s LEU 69 N -0.30 4.02 -0.33 -5.54 1.43 -1.26 -4.97 118.68 111.72 2hgk s LEU 69 Ca 0.62 2.12 -0.29 0.00 -1.03 0.00 0.00 54.13 55.56 2hgk s LEU 69 Cb -0.45 -4.30 -0.01 0.00 0.03 0.00 0.00 46.19 41.46 2hgk s LEU 69 CO 0.44 -0.74 1.71 -2.16 0.23 0.00 0.00 176.35 175.84 2hgk s PRO 70 N -2.75 3.42 0.46 1.29 0.04 -1.26 -4.88 135.00 131.32 2hgk s PRO 70 Ca 0.62 1.36 0.23 0.00 0.04 0.00 0.00 61.00 63.26 2hgk s PRO 70 Cb -0.23 -4.15 1.10 0.00 0.04 0.00 0.00 34.50 31.26 2hgk s PRO 70 CO 0.29 -1.75 1.93 0.78 0.04 0.00 0.00 177.00 178.29 2hgk h GLY 71 N 13.22 0.00 -5.14 0.56 0.00 -1.94 -3.02 103.07 106.75 2hgk h GLY 71 Ca -0.33 0.00 -0.76 0.00 0.00 0.00 0.00 47.33 46.25 2hgk h GLY 71 CO 1.04 0.00 0.88 0.00 0.00 0.00 0.00 176.54 178.46 2hgk n ALA 72 N -2.31 6.31 -3.05 3.60 0.00 -1.26 -4.47 120.51 119.33 2hgk n ALA 72 Ca -0.01 -4.22 -0.36 0.00 0.00 0.00 0.00 53.44 48.85 2hgk n ALA 72 Cb 0.34 -1.88 -0.12 0.00 0.00 0.00 0.00 19.45 17.79 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 -4.06 3.09 -0.22 0.00 2.19 -1.14 -5.06 117.98 112.77 2hgk s PHE 73 Ca 0.50 -0.40 -0.05 0.00 0.33 0.00 0.00 56.93 57.31 2hgk s PHE 73 Cb 0.40 -2.19 0.11 0.00 -1.31 0.00 0.00 43.02 40.03 2hgk s PHE 73 CO -0.35 -0.29 0.41 0.00 1.83 0.00 0.00 175.22 176.82 2hgk s ALA 74 N 1.36 -1.19 -0.01 11.12 0.00 -1.26 -4.74 121.76 127.04 2hgk s ALA 74 Ca 0.05 1.31 0.07 0.00 0.00 0.00 0.00 51.96 53.39 2hgk s ALA 74 Cb -0.15 -1.49 -0.10 0.00 0.00 0.00 0.00 23.12 21.38 2hgk s ALA 74 CO 0.03 -0.96 0.15 1.33 0.00 0.00 0.00 175.76 176.30 2hgk n VAL 75 N 5.38 0.00 0.03 0.00 0.24 -1.26 -4.72 118.33 118.01 2hgk n VAL 75 Ca -0.06 -0.15 -0.11 0.00 -2.04 0.00 0.00 64.34 61.97 2hgk n VAL 75 Cb 0.50 0.35 -0.06 0.00 -1.47 0.00 0.00 33.84 33.16 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 0.61 0.00 -0.22 2.33 0.00 -1.95 -0.35 119.26 119.69 2hgk h ALA 76 Ca 0.00 0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.98 2hgk h ALA 76 Cb 0.30 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2hgk h ALA 76 CO 0.00 -0.51 0.16 -1.35 0.00 0.00 0.00 179.25 177.55 2hgk h PRO 77 N -0.02 0.00 0.05 0.00 0.11 -1.97 -0.60 132.00 129.57 2hgk h PRO 77 Ca 0.02 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.99 2hgk h PRO 77 Cb 0.05 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.15 2hgk h PRO 77 CO -0.04 0.00 -0.66 -0.92 -0.21 0.00 0.00 178.00 176.17 2hgk h TYR 78 N 0.00 0.19 0.00 0.65 3.20 -1.73 -3.32 116.97 115.95 2hgk h TYR 78 Ca 0.10 -0.14 -0.01 0.00 3.14 0.00 0.00 58.73 61.82 2hgk h TYR 78 Cb 0.41 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.67 2hgk h TYR 78 CO 0.00 1.26 -0.07 1.88 -1.64 0.00 0.00 178.16 179.59 2hgk h TYR 79 N -0.75 0.00 -0.80 -3.82 0.05 -0.85 0.22 116.97 111.01 2hgk h TYR 79 Ca -0.15 0.00 0.04 0.00 0.05 0.00 0.00 58.73 58.67 2hgk h TYR 79 Cb 1.32 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 39.02 2hgk h TYR 79 CO 0.20 0.07 0.53 1.49 -1.05 0.00 0.00 178.16 179.39 2hgk h GLU 80 N 0.00 0.94 0.08 4.88 4.81 -1.21 0.50 114.58 124.59 2hgk h GLU 80 Ca -0.00 -0.06 -0.35 0.00 -0.13 0.00 0.00 59.36 58.83 2hgk h GLU 80 Cb 0.33 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 2hgk h GLU 80 CO 0.01 0.62 -1.94 -1.33 -0.73 0.00 0.00 179.01 175.63 2hgk n MET 81 N -4.46 0.72 0.06 1.92 2.81 -0.21 -4.15 117.12 113.82 2hgk n MET 81 Ca 0.11 0.26 0.01 0.00 -1.81 0.00 0.00 57.70 56.27 2hgk n MET 81 Cb 0.13 -1.72 0.33 0.00 -0.71 0.00 0.00 33.22 31.25 2hgk n MET 81 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2hgk h ALA 82 N 0.36 1.40 -2.98 3.04 0.00 -0.50 -3.40 119.26 117.17 2hgk h ALA 82 Ca -0.39 -0.22 -0.64 0.00 0.00 0.00 0.00 54.91 53.66 2hgk h ALA 82 Cb 2.03 -0.11 -0.18 0.00 0.00 0.00 0.00 17.79 19.53 2hgk h ALA 82 CO 0.08 0.41 -0.55 -1.17 0.00 0.00 0.00 179.25 178.02 2hgk s LEU 83 N -8.85 3.88 0.24 0.00 2.96 0.15 -4.99 118.68 112.08 2hgk s LEU 83 Ca -0.06 -0.03 -0.31 0.00 -0.22 0.00 0.00 54.13 53.51 2hgk s LEU 83 Cb 0.15 -2.05 -0.14 0.00 0.50 0.00 0.00 46.19 44.65 2hgk s LEU 83 CO 0.75 -0.00 1.31 0.00 -1.32 0.00 0.00 176.35 177.09 2hgk n ALA 84 N 4.73 0.63 0.25 5.97 0.00 -1.26 -4.77 120.51 126.06 2hgk n ALA 84 Ca -0.15 0.41 0.09 0.00 0.00 0.00 0.00 53.44 53.79 2hgk n ALA 84 Cb 0.52 -2.20 0.64 0.00 0.00 0.00 0.00 19.45 18.41 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 2.81 0.90 -0.00 0.00 1.35 -1.91 -1.50 112.91 114.55 2hgk h THR 85 Ca -0.44 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.02 2hgk h THR 85 Cb 1.30 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 68.94 2hgk h THR 85 CO 0.72 0.11 0.00 -0.90 -0.25 0.00 0.00 175.52 175.19 2hgk n ASP 86 N -4.15 0.16 -4.13 5.36 5.75 -1.26 -4.39 116.55 113.89 2hgk n ASP 86 Ca -0.03 -2.00 -0.38 0.00 -0.01 0.00 0.00 54.79 52.37 2hgk n ASP 86 Cb 0.19 -0.07 -0.08 0.00 -1.03 0.00 0.00 41.12 40.13 2hgk n ASP 86 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 2hgk s HIS 87 N -1.87 3.47 0.60 2.11 2.46 -0.57 -4.97 115.29 116.52 2hgk s HIS 87 Ca 0.00 -2.58 0.29 0.00 0.47 0.00 0.00 55.06 53.24 2hgk s HIS 87 Cb 0.00 -3.30 1.62 0.00 -0.13 0.00 0.00 32.58 30.78 2hgk s HIS 87 CO 0.00 -0.87 2.03 -1.00 -2.47 0.00 0.00 174.74 172.43 2hgk h PRO 88 N 7.19 0.00 0.00 2.88 0.13 -1.85 0.03 132.00 140.38 2hgk h PRO 88 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2hgk h PRO 88 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 2hgk h PRO 88 CO 0.72 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.53 2hgk n GLN 89 N -3.67 0.05 0.18 0.86 6.02 -1.26 -2.70 117.38 116.86 2hgk n GLN 89 Ca 0.03 0.33 0.04 0.00 -0.01 0.00 0.00 57.00 57.39 2hgk n GLN 89 Cb 0.42 -1.60 0.46 0.00 1.02 0.00 0.00 30.24 30.54 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 0.09 -0.48 -1.09 0.11 -1.32 -3.05 114.38 108.63 2hgk h ARG 90 Ca 0.00 -0.02 -0.02 0.00 0.10 0.00 0.00 59.98 60.04 2hgk h ARG 90 Cb 0.23 -0.01 -0.02 0.00 1.11 0.00 0.00 29.97 31.28 2hgk h ARG 90 CO 0.00 0.26 0.23 0.00 0.10 0.00 0.00 179.97 180.56 2hgk h ALA 91 N 1.75 1.49 -0.06 0.08 0.00 -1.74 0.21 119.26 120.99 2hgk h ALA 91 Ca 0.02 -0.11 -0.24 0.00 0.00 0.00 0.00 54.91 54.58 2hgk h ALA 91 Cb 0.35 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.95 2hgk h ALA 91 CO 0.02 0.41 -0.92 -0.07 0.00 0.00 0.00 179.25 178.69 2hgk h LEU 92 N 0.68 0.85 -0.13 0.00 3.38 -1.77 -2.14 115.31 116.17 2hgk h LEU 92 Ca 0.17 -0.63 -0.02 0.00 0.09 0.00 0.00 57.88 57.49 2hgk h LEU 92 Cb 0.08 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 2hgk h LEU 92 CO -0.02 1.42 -0.00 0.40 0.09 0.00 0.00 178.44 180.33 2hgk h ILE 93 N 0.42 1.26 -0.11 1.22 2.04 -1.41 -2.68 117.51 118.25 2hgk h ILE 93 Ca -0.09 -0.85 -0.02 0.00 1.00 0.00 0.00 64.86 64.91 2hgk h ILE 93 Cb 1.55 1.56 -0.01 0.00 -0.74 0.00 0.00 36.82 39.19 2hgk h ILE 93 CO 0.18 0.25 -0.01 -0.07 0.00 0.00 0.00 178.15 178.50 2hgk h LEU 94 N -0.04 0.14 -0.06 1.44 3.38 -0.66 -1.36 115.31 118.15 2hgk h LEU 94 Ca 0.04 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2hgk h LEU 94 Cb 0.38 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 2hgk h LEU 94 CO 0.01 0.18 0.04 0.00 0.09 0.00 0.00 178.44 178.75 2hgk h ALA 95 N 1.85 0.07 0.00 1.53 0.00 -1.10 0.14 119.26 121.75 2hgk h ALA 95 Ca 0.04 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 2hgk h ALA 95 Cb 0.12 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2hgk h ALA 95 CO 0.00 -0.41 -0.27 0.93 0.00 0.00 0.00 179.25 179.50 2hgk h GLU 96 N 0.05 0.00 -0.20 0.00 4.39 -1.10 -2.39 114.58 115.32 2hgk h GLU 96 Ca 0.02 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.54 2hgk h GLU 96 Cb 0.03 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.68 2hgk h GLU 96 CO -0.00 0.27 -0.61 -0.07 -1.16 0.00 0.00 179.01 177.44 2hgk h LEU 97 N 0.00 0.79 -0.74 1.33 3.38 -0.75 -1.21 115.31 118.10 2hgk h LEU 97 Ca -0.00 -0.45 0.09 0.00 0.09 0.00 0.00 57.88 57.61 2hgk h LEU 97 Cb 0.66 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 41.11 2hgk h LEU 97 CO 0.04 1.21 0.40 -0.33 0.09 0.00 0.00 178.44 179.84 2hgk h GLU 98 N 0.52 0.66 0.13 1.13 5.08 -0.23 0.14 114.58 122.00 2hgk h GLU 98 Ca -0.00 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 2hgk h GLU 98 Cb 1.19 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.30 2hgk h GLU 98 CO 0.12 0.44 -0.06 0.87 -1.00 0.00 0.00 179.01 179.38 2hgk h LYS 99 N 0.68 -0.16 0.34 2.33 1.57 -1.29 -2.13 116.57 117.91 2hgk h LYS 99 Ca 0.36 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 59.14 2hgk h LYS 99 Cb 0.33 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 2hgk h LYS 99 CO -0.25 0.07 -0.30 1.25 -0.57 0.00 0.00 179.45 179.66 2hgk h LEU 100 N -0.38 -0.78 -1.07 2.94 5.85 -0.78 -1.37 115.31 119.71 2hgk h LEU 100 Ca -0.02 0.06 0.08 0.00 0.84 0.00 0.00 57.88 58.85 2hgk h LEU 100 Cb 0.31 0.26 -0.07 0.00 0.37 0.00 0.00 40.66 41.53 2hgk h LEU 100 CO 0.03 -0.43 0.62 0.44 -0.34 0.00 0.00 178.44 178.76 2hgk h ASP 101 N -0.65 0.96 0.94 1.25 5.19 -1.06 0.10 116.42 123.15 2hgk h ASP 101 Ca -0.02 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 2hgk h ASP 101 Cb 0.58 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 39.90 2hgk h ASP 101 CO -0.03 0.59 0.00 0.00 -3.12 0.00 0.00 179.24 176.68 2hgk h ALA 102 N 1.50 1.00 0.09 3.45 0.00 -0.87 -2.36 119.26 122.06 2hgk h ALA 102 Ca 0.43 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 55.07 2hgk h ALA 102 Cb 0.27 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2hgk h ALA 102 CO -0.19 0.00 -1.37 -0.07 0.00 0.00 0.00 179.25 177.63 2hgk h LEU 103 N 0.00 0.30 -0.83 0.00 3.38 0.13 -2.16 115.31 116.13 2hgk h LEU 103 Ca 0.00 -0.37 -0.07 0.00 0.09 0.00 0.00 57.88 57.53 2hgk h LEU 103 Cb 0.47 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2hgk h LEU 103 CO 0.00 1.31 -0.33 -0.26 0.09 0.00 0.00 178.44 179.24 2hgk h PHE 104 N 0.05 0.00 -0.58 1.13 0.04 -1.19 -2.52 116.94 113.87 2hgk h PHE 104 Ca -0.17 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.60 2hgk h PHE 104 Cb 1.96 0.00 0.00 0.00 2.20 0.00 0.00 35.95 40.11 2hgk h PHE 104 CO 0.05 0.33 0.00 0.00 -0.60 0.00 0.00 178.31 178.09 2hgk n ALA 105 N -2.25 3.16 0.06 2.45 0.00 -0.92 -4.35 120.51 118.66 2hgk n ALA 105 Ca 0.00 -1.46 -0.22 0.00 0.00 0.00 0.00 53.44 51.75 2hgk n ALA 105 Cb 0.52 -1.04 -0.15 0.00 0.00 0.00 0.00 19.45 18.78 2hgk n ALA 105 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2hgk h ASP 106 N 3.68 0.56 -2.73 0.00 3.58 -0.92 -3.46 116.42 117.12 2hgk h ASP 106 Ca 0.00 -0.91 -0.65 0.00 0.42 0.00 0.00 57.03 55.88 2hgk h ASP 106 Cb 1.42 -0.18 -0.06 0.00 1.72 0.00 0.00 39.33 42.22 2hgk h ASP 106 CO 0.25 1.68 -0.43 -0.62 -2.88 0.00 0.00 179.24 177.25 2hgk s ASP 107 N -7.22 6.46 -0.14 2.28 -1.08 -1.26 -4.99 116.67 110.73 2hgk s ASP 107 Ca -0.16 0.55 0.16 0.00 -0.52 0.00 0.00 52.55 52.58 2hgk s ASP 107 Cb 0.04 -2.10 0.31 0.00 -1.46 0.00 0.00 42.92 39.72 2hgk s ASP 107 CO 0.84 0.37 1.16 0.00 0.52 0.00 0.00 175.17 178.06 2hgk n ALA 108 N 1.81 2.63 -2.17 3.66 0.00 -1.26 -4.66 120.51 120.52 2hgk n ALA 108 Ca -0.18 -2.69 0.05 0.00 0.00 0.00 0.00 53.44 50.62 2hgk n ALA 108 Cb 0.54 -0.39 0.08 0.00 0.00 0.00 0.00 19.45 19.69 2hgk n ALA 108 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2hgk n SER 109 N -1.19 1.23 -4.59 0.00 3.41 -1.26 -5.09 113.62 106.13 2hgk n SER 109 Ca 0.15 -2.65 -0.51 0.00 -0.26 0.00 0.00 58.87 55.61 2hgk n SER 109 Cb 0.67 -0.38 -0.05 0.00 -0.26 0.00 0.00 64.21 64.20 2hgk n SER 109 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2hgk n LEU 110 N -0.08 1.67 -4.76 1.04 4.77 -1.26 -4.88 117.00 113.50 2hgk n LEU 110 Ca 0.10 1.13 -0.39 0.00 -0.03 0.00 0.00 56.01 56.82 2hgk n LEU 110 Cb 0.98 -1.21 0.03 0.00 -2.33 0.00 0.00 43.42 40.89 2hgk n LEU 110 CO -0.04 -1.10 1.01 -1.61 -1.33 0.00 0.00 177.39 174.32 2hgk s GLU 111 N 0.21 3.41 0.24 3.23 0.41 -1.26 -5.03 118.70 119.90 2hgk s GLU 111 Ca 0.80 2.28 0.09 0.00 -0.41 0.00 0.00 54.97 57.74 2hgk s GLU 111 Cb -0.91 -2.44 -0.04 0.00 -1.78 0.00 0.00 34.13 28.96 2hgk s GLU 111 CO 0.48 -0.99 -0.04 -1.01 -0.49 0.00 0.00 175.26 173.21 2hgk s HIS 112 N -1.27 2.67 0.14 1.61 3.76 -1.26 -4.80 115.29 116.14 2hgk s HIS 112 Ca 0.67 -0.22 -0.11 0.00 -0.15 0.00 0.00 55.06 55.24 2hgk s HIS 112 Cb -0.41 -1.22 -0.02 0.00 1.11 0.00 0.00 32.58 32.04 2hgk s HIS 112 CO 0.51 0.59 1.52 0.45 -0.85 0.00 0.00 174.74 176.95 2hgk h HIS 113 N 2.21 1.06 -3.63 1.40 3.86 -2.05 -3.40 115.15 114.61 2hgk h HIS 113 Ca -0.45 -0.27 -0.67 0.00 -1.16 0.00 0.00 60.37 57.82 2hgk h HIS 113 Cb 1.24 -0.24 -0.35 0.00 1.06 0.00 0.00 27.41 29.12 2hgk h HIS 113 CO 0.68 1.08 -0.78 -1.58 0.86 0.00 0.00 177.93 178.18 2hgk s HIS 114 N -4.60 3.13 0.56 2.45 5.65 -1.26 -5.12 115.29 116.11 2hgk s HIS 114 Ca -0.12 -1.96 -0.07 0.00 0.25 0.00 0.00 55.06 53.17 2hgk s HIS 114 Cb 0.11 -1.98 -0.02 0.00 -1.18 0.00 0.00 32.58 29.51 2hgk s HIS 114 CO 0.86 -0.82 0.89 -1.01 -0.65 0.00 0.00 174.74 174.00 2hgk s HIS 115 N 1.21 3.43 -0.11 3.88 3.76 -1.26 -5.09 115.29 121.10 2hgk s HIS 115 Ca -0.04 0.83 0.01 0.00 -0.15 0.00 0.00 55.06 55.71 2hgk s HIS 115 Cb -0.18 -2.58 0.02 0.00 1.11 0.00 0.00 32.58 30.94 2hgk s HIS 115 CO -0.06 -0.61 -0.13 -1.01 -0.85 0.00 0.00 174.74 172.08 2hgk s HIS 116 N -2.94 1.86 0.00 1.40 3.76 -1.26 -5.17 115.29 112.94 2hgk s HIS 116 Ca 0.52 -0.91 0.00 0.00 -0.15 0.00 0.00 55.06 54.52 2hgk s HIS 116 Cb -0.11 -1.38 0.00 0.00 1.11 0.00 0.00 32.58 32.20 2hgk s HIS 116 CO 0.47 -0.50 0.00 0.72 -0.85 0.00 0.00 174.74 174.57