#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgk s THR 2 N 0.00 2.20 0.21 2.03 2.01 -1.26 -4.77 115.64 116.06 2hgk s THR 2 Ca 0.00 0.06 -0.09 0.00 0.31 0.00 0.00 61.69 61.97 2hgk s THR 2 Cb 0.00 -3.00 0.14 0.00 0.01 0.00 0.00 72.50 69.65 2hgk s THR 2 CO 0.00 -0.08 1.78 0.74 -0.69 0.00 0.00 174.62 176.37 2hgk h THR 3 N -1.12 0.89 -0.25 -0.82 2.02 -1.98 0.52 112.91 112.16 2hgk h THR 3 Ca -0.47 -0.19 0.06 0.00 0.77 0.00 0.00 66.41 66.58 2hgk h THR 3 Cb 1.32 0.28 -0.06 0.00 -1.74 0.00 0.00 68.15 67.95 2hgk h THR 3 CO 0.65 0.10 -0.12 0.45 0.37 0.00 0.00 175.52 176.97 2hgk h HIS 4 N 0.56 -0.28 -0.93 3.16 -0.00 -1.95 -0.27 115.15 115.44 2hgk h HIS 4 Ca 0.30 0.03 0.01 0.00 -0.00 0.00 0.00 60.37 60.70 2hgk h HIS 4 Cb 0.27 0.16 -0.05 0.00 -0.00 0.00 0.00 27.41 27.79 2hgk h HIS 4 CO -0.11 -0.18 0.62 0.22 -0.00 0.00 0.00 177.93 178.48 2hgk h ASP 5 N -0.08 1.07 -0.56 2.45 3.58 -1.67 -1.30 116.42 119.90 2hgk h ASP 5 Ca 0.13 -0.03 -0.06 0.00 0.42 0.00 0.00 57.03 57.49 2hgk h ASP 5 Cb 0.28 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 41.04 2hgk h ASP 5 CO -0.31 0.77 0.10 0.03 -2.88 0.00 0.00 179.24 176.96 2hgk h ARG 6 N 1.26 0.93 -0.48 0.28 3.08 -0.11 0.10 114.38 119.44 2hgk h ARG 6 Ca 0.34 -0.24 -0.06 0.00 0.07 0.00 0.00 59.98 60.09 2hgk h ARG 6 Cb -0.15 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.77 2hgk h ARG 6 CO -0.07 0.89 0.05 0.28 -1.07 0.00 0.00 179.97 180.04 2hgk h VAL 7 N 0.82 1.23 -0.53 2.04 2.07 -0.66 -0.34 116.25 120.88 2hgk h VAL 7 Ca 0.17 -0.91 -0.05 0.00 0.82 0.00 0.00 66.70 66.73 2hgk h VAL 7 Cb 0.40 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 2hgk h VAL 7 CO 0.01 0.32 0.12 -0.09 0.02 0.00 0.00 177.57 177.96 2hgk h ARG 8 N 0.73 0.86 -0.82 1.57 2.43 -0.78 -1.43 114.38 116.93 2hgk h ARG 8 Ca 0.15 -0.21 0.03 0.00 -0.81 0.00 0.00 59.98 59.14 2hgk h ARG 8 Cb 0.38 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.77 2hgk h ARG 8 CO 0.01 0.82 0.54 -0.07 -1.51 0.00 0.00 179.97 179.76 2hgk h LEU 9 N 0.75 0.88 -0.65 3.80 3.38 -0.29 -1.96 115.31 121.22 2hgk h LEU 9 Ca 0.17 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 2hgk h LEU 9 Cb 0.35 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 2hgk h LEU 9 CO 0.00 0.61 0.23 -0.61 0.09 0.00 0.00 178.44 178.76 2hgk h GLN 10 N 1.03 1.00 -0.65 1.13 -0.00 -0.46 -0.04 115.11 117.11 2hgk h GLN 10 Ca 0.32 -0.20 0.00 0.00 -0.00 0.00 0.00 58.65 58.78 2hgk h GLN 10 Cb 0.02 -0.15 -0.03 0.00 0.00 0.00 0.00 27.48 27.31 2hgk h GLN 10 CO -0.09 0.86 0.42 -0.07 0.00 0.00 0.00 178.83 179.94 2hgk h LEU 11 N 0.94 0.75 -0.60 -2.39 3.38 -0.57 0.49 115.31 117.32 2hgk h LEU 11 Ca 0.21 -0.03 -0.14 0.00 0.09 0.00 0.00 57.88 58.02 2hgk h LEU 11 Cb 0.26 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2hgk h LEU 11 CO -0.01 0.56 -0.35 1.56 0.09 0.00 0.00 178.44 180.28 2hgk h GLN 12 N 0.88 0.73 -0.35 1.13 4.20 -0.80 -1.60 115.11 119.29 2hgk h GLN 12 Ca 0.24 -0.35 -0.16 0.00 0.06 0.00 0.00 58.65 58.43 2hgk h GLN 12 Cb -0.08 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 2hgk h GLN 12 CO -0.05 0.97 -0.41 0.00 -0.67 0.00 0.00 178.83 178.67 2hgk h ALA 13 N 1.00 0.60 -0.56 3.87 0.00 0.29 -0.56 119.26 123.90 2hgk h ALA 13 Ca 0.06 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 2hgk h ALA 13 Cb 0.88 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 2hgk h ALA 13 CO 0.08 0.68 0.34 1.25 0.00 0.00 0.00 179.25 181.60 2hgk h LEU 14 N 0.71 0.67 -0.65 0.00 5.85 0.01 0.13 115.31 122.03 2hgk h LEU 14 Ca 0.05 -0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.77 2hgk h LEU 14 Cb 0.99 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.81 2hgk h LEU 14 CO 0.10 0.52 0.38 -0.08 -0.34 0.00 0.00 178.44 179.01 2hgk h GLU 15 N 0.75 0.70 -0.33 1.25 4.81 -1.10 -0.53 114.58 120.12 2hgk h GLU 15 Ca 0.20 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 2hgk h GLU 15 Cb -0.03 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.18 2hgk h GLU 15 CO -0.04 0.46 0.22 0.00 -0.73 0.00 0.00 179.01 178.92 2hgk h ALA 16 N 1.31 0.42 -0.51 2.92 0.00 -0.32 0.26 119.26 123.34 2hgk h ALA 16 Ca 0.28 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2hgk h ALA 16 Cb 0.11 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2hgk h ALA 16 CO -0.15 -0.12 0.32 1.25 0.00 0.00 0.00 179.25 180.56 2hgk h LEU 17 N 0.45 0.60 -0.92 0.00 6.46 -0.30 0.15 115.31 121.75 2hgk h LEU 17 Ca 0.12 -0.03 -0.08 0.00 -0.12 0.00 0.00 57.88 57.77 2hgk h LEU 17 Cb -0.05 -0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 39.71 2hgk h LEU 17 CO -0.03 0.45 -0.04 -0.07 -0.62 0.00 0.00 178.44 178.14 2hgk h LEU 18 N 0.69 0.73 -0.39 2.25 3.38 -0.82 -2.90 115.31 118.24 2hgk h LEU 18 Ca 0.19 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 2hgk h LEU 18 Cb -0.05 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 2hgk h LEU 18 CO -0.04 0.82 0.03 -0.09 0.09 0.00 0.00 178.44 179.25 2hgk h ARG 19 N 0.70 0.67 -0.82 1.13 9.65 0.33 0.12 114.38 126.16 2hgk h ARG 19 Ca 0.13 -0.20 0.03 0.00 -1.10 0.00 0.00 59.98 58.84 2hgk h ARG 19 Cb 0.48 -0.07 -0.05 0.00 -1.39 0.00 0.00 29.97 28.95 2hgk h ARG 19 CO 0.02 0.75 0.54 0.93 2.80 0.00 0.00 179.97 185.01 2hgk h GLU 20 N 0.50 1.00 -0.64 0.20 5.08 -0.58 -1.12 114.58 119.03 2hgk h GLU 20 Ca 0.11 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2hgk h GLU 20 Cb 0.42 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2hgk h GLU 20 CO 0.01 0.66 0.00 0.72 -1.00 0.00 0.00 179.01 179.41 2hgk n HIS 21 N -4.44 1.27 -2.58 4.33 8.25 -1.11 -4.92 115.22 116.02 2hgk n HIS 21 Ca 0.10 -0.51 -0.17 0.00 -0.26 0.00 0.00 57.72 56.88 2hgk n HIS 21 Cb 0.09 -0.21 -0.00 0.00 1.12 0.00 0.00 29.99 31.00 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 0.98 -2.46 -0.03 -0.41 6.02 -0.42 -4.81 117.38 116.25 2hgk n GLN 22 Ca 0.22 0.76 0.11 0.00 -0.01 0.00 0.00 57.00 58.08 2hgk n GLN 22 Cb 0.77 -5.42 0.11 0.00 1.02 0.00 0.00 30.24 26.72 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 -3.77 0.07 -2.55 1.08 8.25 0.36 -4.82 115.22 113.84 2hgk n HIS 23 Ca -0.16 -0.04 -0.41 0.00 -0.26 0.00 0.00 57.72 56.85 2hgk n HIS 23 Cb 0.63 -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 -1.75 2.38 -0.01 4.41 -0.11 -0.98 -4.93 118.94 117.96 2hgk s TRP 24 Ca 0.27 -0.37 0.06 0.00 1.22 0.00 0.00 56.10 57.28 2hgk s TRP 24 Cb 0.19 -4.66 -0.03 0.00 -1.50 0.00 0.00 33.47 27.47 2hgk s TRP 24 CO 0.27 -2.02 -0.20 1.03 -4.62 0.00 0.00 176.95 171.41 2hgk s ARG 25 N 5.43 2.22 -0.42 5.86 0.52 -1.26 -4.94 118.95 126.36 2hgk s ARG 25 Ca 0.40 -0.87 -0.04 0.00 -0.52 0.00 0.00 55.73 54.69 2hgk s ARG 25 Cb -0.05 -2.20 0.11 0.00 0.52 0.00 0.00 34.95 33.34 2hgk s ARG 25 CO 0.05 0.57 0.22 1.21 0.02 0.00 0.00 175.30 177.38 2hgk s ASN 26 N -0.93 5.33 0.58 0.23 2.47 -1.26 -4.86 114.94 116.49 2hgk s ASN 26 Ca 0.12 -1.99 0.07 0.00 0.42 0.00 0.00 52.86 51.47 2hgk s ASN 26 Cb -0.10 -1.86 0.07 0.00 -1.45 0.00 0.00 41.25 37.91 2hgk s ASN 26 CO 0.01 -0.56 0.56 -0.62 -3.72 0.00 0.00 177.10 172.77 2hgk s ASP 27 N 1.95 4.74 -0.42 -4.21 2.15 -1.26 -5.08 116.67 114.54 2hgk s ASP 27 Ca 0.08 -1.18 -0.18 0.00 0.43 0.00 0.00 52.55 51.70 2hgk s ASP 27 Cb -0.23 0.53 0.02 0.00 -0.30 0.00 0.00 42.92 42.94 2hgk s ASP 27 CO -0.04 -1.27 0.49 -1.61 -0.17 0.00 0.00 175.17 172.58 2hgk s GLU 28 N -4.45 3.16 0.47 4.34 0.41 -1.26 -5.05 118.70 116.32 2hgk s GLU 28 Ca 0.42 -0.64 -0.23 0.00 -0.41 0.00 0.00 54.97 54.12 2hgk s GLU 28 Cb -0.03 -3.96 -0.07 0.00 -1.78 0.00 0.00 34.13 28.29 2hgk s GLU 28 CO 0.27 -0.88 1.17 -2.14 -0.49 0.00 0.00 175.26 173.19 2hgk s PRO 29 N 2.31 3.69 -0.09 0.39 0.02 -1.26 -5.03 135.00 135.03 2hgk s PRO 29 Ca 0.15 1.79 -0.08 0.00 0.02 0.00 0.00 61.00 62.88 2hgk s PRO 29 Cb -0.16 -2.37 -0.04 0.00 0.02 0.00 0.00 34.50 31.95 2hgk s PRO 29 CO 0.15 -0.62 0.19 -0.65 -0.33 0.00 0.00 177.00 175.74 2hgk s GLN 30 N -2.76 3.52 0.33 5.54 -1.52 -1.26 -4.99 119.66 118.52 2hgk s GLN 30 Ca 0.65 -0.05 0.01 0.00 -1.95 0.00 0.00 55.36 54.02 2hgk s GLN 30 Cb -0.29 -3.19 0.58 0.00 -0.22 0.00 0.00 33.01 29.90 2hgk s GLN 30 CO 0.35 0.76 1.98 -1.00 -0.25 0.00 0.00 175.29 177.13 2hgk h PRO 31 N 4.85 0.91 -0.20 2.91 0.13 -2.01 -1.54 132.00 137.06 2hgk h PRO 31 Ca -0.54 -0.05 0.01 0.00 -0.87 0.00 0.00 66.00 64.54 2hgk h PRO 31 Cb 1.23 -0.21 -0.01 0.00 0.13 0.00 0.00 31.00 32.14 2hgk h PRO 31 CO 0.59 0.60 0.14 1.25 -0.23 0.00 0.00 178.00 180.35 2hgk h HIS 32 N 0.94 0.24 0.31 1.56 6.17 -1.97 -0.01 115.15 122.39 2hgk h HIS 32 Ca 0.28 0.01 -0.01 0.00 0.71 0.00 0.00 60.37 61.35 2hgk h HIS 32 Cb -0.03 -0.08 0.00 0.00 2.52 0.00 0.00 27.41 29.82 2hgk h HIS 32 CO -0.00 0.15 -0.16 0.37 0.71 0.00 0.00 177.93 179.00 2hgk h GLN 33 N 0.25 -0.41 0.00 5.26 4.15 -1.68 -1.96 115.11 120.72 2hgk h GLN 33 Ca 0.08 0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.48 2hgk h GLN 33 Cb 0.00 0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.78 2hgk h GLN 33 CO -0.02 -0.28 -0.21 0.74 -1.93 0.00 0.00 178.83 177.14 2hgk h PHE 34 N -0.43 0.00 0.00 3.99 0.04 -1.49 -2.95 116.94 116.10 2hgk h PHE 34 Ca -0.04 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.73 2hgk h PHE 34 Cb 0.34 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.49 2hgk h PHE 34 CO -0.06 0.21 0.00 -0.97 -0.60 0.00 0.00 178.31 176.88 2hgk h ASN 35 N 0.00 0.00 0.42 2.17 -1.24 -0.74 -0.57 115.58 115.62 2hgk h ASN 35 Ca -0.00 0.00 -0.06 0.00 0.71 0.00 0.00 56.30 56.95 2hgk h ASN 35 Cb 1.05 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.10 2hgk h ASN 35 CO 0.03 0.00 -0.29 0.28 -1.29 0.00 0.00 177.43 176.15 2hgk h SER 36 N 0.00 0.00 -5.85 1.15 0.02 -1.17 -3.47 113.55 104.22 2hgk h SER 36 Ca 0.00 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.60 2hgk h SER 36 Cb 0.63 0.00 0.13 0.00 0.14 0.00 0.00 62.40 63.30 2hgk h SER 36 CO 0.00 0.29 -0.89 0.41 -1.14 0.00 0.00 176.83 175.51 2hgk n THR 37 N -3.94 -7.13 -4.62 -2.27 -1.04 -0.22 -5.01 114.28 90.05 2hgk n THR 37 Ca -0.02 -1.06 -0.32 0.00 -2.04 0.00 0.00 64.05 60.62 2hgk n THR 37 Cb 0.37 -5.24 -0.12 0.00 -1.82 0.00 0.00 70.33 63.52 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 -5.28 2.39 0.20 -2.82 -0.21 -1.26 -5.04 119.66 107.64 2hgk s GLN 38 Ca 0.39 -0.80 -0.11 0.00 0.02 0.00 0.00 55.36 54.86 2hgk s GLN 38 Cb -0.09 -2.37 0.19 0.00 1.00 0.00 0.00 33.01 31.74 2hgk s GLN 38 CO 0.80 0.59 1.79 -1.00 -2.12 0.00 0.00 175.29 175.35 2hgk h PRO 39 N 4.72 0.56 -0.01 2.91 0.13 -2.01 -3.02 132.00 135.28 2hgk h PRO 39 Ca -0.48 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2hgk h PRO 39 Cb 1.16 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.16 2hgk h PRO 39 CO 0.51 0.37 -0.10 1.19 -0.23 0.00 0.00 178.00 179.75 2hgk n PHE 40 N -4.85 0.00 -3.00 1.56 3.72 -1.26 -5.04 117.46 108.59 2hgk n PHE 40 Ca 0.07 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.34 2hgk n PHE 40 Cb 0.16 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.72 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 0.22 -3.11 -0.11 1.38 3.72 -1.14 -4.58 117.46 113.84 2hgk n PHE 41 Ca 0.05 1.30 -0.16 0.00 -0.05 0.00 0.00 57.45 58.59 2hgk n PHE 41 Cb 0.25 -3.29 -0.10 0.00 -0.94 0.00 0.00 39.48 35.39 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 0.08 0.56 0.08 -1.08 2.81 -1.26 -3.74 117.12 114.57 2hgk n MET 42 Ca 0.04 0.14 0.12 0.00 -1.81 0.00 0.00 57.70 56.18 2hgk n MET 42 Cb 0.42 -1.45 0.12 0.00 -0.71 0.00 0.00 33.22 31.60 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 -0.04 0.00 0.43 7.83 3.32 -1.98 -3.39 116.42 122.59 2hgk h ASP 43 Ca -0.51 -0.16 -0.02 0.00 0.02 0.00 0.00 57.03 56.36 2hgk h ASP 43 Cb 1.77 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.33 2hgk h ASP 43 CO -0.09 0.08 -0.21 0.71 -1.72 0.00 0.00 179.24 178.01 2hgk h THR 44 N 0.00 0.00 0.00 0.35 1.35 -1.93 -3.47 112.91 109.21 2hgk h THR 44 Ca 0.00 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.83 2hgk h THR 44 Cb 0.82 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.24 2hgk h THR 44 CO 0.00 0.00 0.00 0.80 -0.25 0.00 0.00 175.52 176.07 2hgk n MET 45 N -3.63 0.00 -3.67 4.72 1.56 -1.26 -5.09 117.12 109.75 2hgk n MET 45 Ca -0.07 0.00 -0.11 0.00 -0.27 0.00 0.00 57.70 57.25 2hgk n MET 45 Cb 0.23 0.00 -0.09 0.00 2.15 0.00 0.00 33.22 35.51 2hgk n MET 45 CO 0.00 0.00 0.00 -1.21 -0.73 0.00 0.00 175.97 174.03 2hgk s GLU 46 N -0.45 0.61 0.00 2.12 2.02 -1.26 -5.00 118.70 116.74 2hgk s GLU 46 Ca 0.00 0.93 0.00 0.00 0.02 0.00 0.00 54.97 55.92 2hgk s GLU 46 Cb 0.00 0.18 0.00 0.00 0.10 0.00 0.00 34.13 34.41 2hgk s GLU 46 CO 0.00 -0.12 0.48 -2.30 0.02 0.00 0.00 175.26 173.33 2hgk n PRO 47 N 3.63 0.00 0.14 0.39 -0.02 -1.25 -0.68 135.00 137.22 2hgk n PRO 47 Ca -0.18 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.42 2hgk n PRO 47 Cb 0.57 -1.49 0.16 0.00 -0.02 0.00 0.00 33.50 32.72 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 -1.73 2.45 5.85 -1.89 -3.23 115.31 116.76 2hgk h LEU 48 Ca 0.00 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 2hgk h LEU 48 Cb 0.00 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 2hgk h LEU 48 CO 0.00 0.02 -0.11 1.05 -0.34 0.00 0.00 178.44 179.06 2hgk h GLU 49 N 0.00 0.00 -0.46 1.25 4.11 -1.26 -3.10 114.58 115.12 2hgk h GLU 49 Ca 0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.35 2hgk h GLU 49 Cb 0.92 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 2hgk h GLU 49 CO 0.00 0.11 -0.04 2.35 0.07 0.00 0.00 179.01 181.50 2hgk h TRP 50 N 0.00 0.85 0.00 2.06 7.01 -1.75 -2.80 115.95 121.32 2hgk h TRP 50 Ca -0.00 -0.13 -0.05 0.00 2.11 0.00 0.00 58.89 60.82 2hgk h TRP 50 Cb 0.44 -0.23 -0.01 0.00 -2.10 0.00 0.00 29.16 27.27 2hgk h TRP 50 CO 0.00 0.81 -0.22 -0.07 -2.79 0.00 0.00 178.44 176.17 2hgk h LEU 51 N 0.73 0.00 0.00 0.65 3.38 -1.76 0.16 115.31 118.47 2hgk h LEU 51 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2hgk h LEU 51 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2hgk h LEU 51 CO 0.03 0.22 0.00 0.00 0.09 0.00 0.00 178.44 178.77 2hgk n GLN 52 N -3.33 0.00 -0.30 1.13 6.02 -1.06 -4.50 117.38 115.34 2hgk n GLN 52 Ca 0.01 0.00 0.09 0.00 -0.01 0.00 0.00 57.00 57.09 2hgk n GLN 52 Cb 0.45 -0.35 0.25 0.00 1.02 0.00 0.00 30.24 31.61 2hgk n GLN 52 CO 0.00 0.00 0.00 1.87 -1.01 0.00 0.00 177.06 177.92 2hgk n TRP 53 N -0.33 0.78 -0.01 1.08 -0.00 -1.24 -4.41 117.44 113.31 2hgk n TRP 53 Ca 0.00 -0.51 -0.01 0.00 -0.00 0.00 0.00 57.50 56.98 2hgk n TRP 53 Cb 0.00 -0.02 -0.00 0.00 -0.00 0.00 0.00 31.31 31.28 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 1.15 0.22 0.01 5.87 0.31 -1.16 -4.49 118.33 120.24 2hgk n VAL 54 Ca 0.19 0.40 -0.10 0.00 -0.01 0.00 0.00 64.34 64.82 2hgk n VAL 54 Cb 0.55 -1.56 -0.04 0.00 -0.91 0.00 0.00 33.84 31.89 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 -0.13 -0.82 0.69 7.52 5.85 -0.92 0.45 115.31 127.95 2hgk h LEU 55 Ca 0.00 0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.81 2hgk h LEU 55 Cb 0.13 0.35 0.01 0.00 0.37 0.00 0.00 40.66 41.52 2hgk h LEU 55 CO 0.00 -0.32 -0.33 0.40 -0.34 0.00 0.00 178.44 177.85 2hgk h ILE 56 N -0.35 0.32 -0.16 4.05 2.04 -1.79 -0.84 117.51 120.79 2hgk h ILE 56 Ca 0.09 -0.02 -0.08 0.00 1.00 0.00 0.00 64.86 65.86 2hgk h ILE 56 Cb 0.49 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 2hgk h ILE 56 CO -0.31 0.00 -0.26 -0.65 0.00 0.00 0.00 178.15 176.94 2hgk h PRO 57 N -0.93 0.30 -0.28 2.37 0.11 -1.77 -0.48 132.00 131.32 2hgk h PRO 57 Ca -0.09 -0.10 -0.02 0.00 0.11 0.00 0.00 66.00 65.89 2hgk h PRO 57 Cb 0.71 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.79 2hgk h PRO 57 CO 0.15 0.54 0.08 -0.09 -0.21 0.00 0.00 178.00 178.47 2hgk h ARG 58 N 0.27 0.44 0.00 1.05 2.43 -0.75 -1.02 114.38 116.79 2hgk h ARG 58 Ca 0.04 -0.10 -0.08 0.00 -0.81 0.00 0.00 59.98 59.03 2hgk h ARG 58 Cb 0.60 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 2hgk h ARG 58 CO 0.04 0.51 -0.40 0.52 -1.51 0.00 0.00 179.97 179.13 2hgk h MET 59 N 0.28 0.00 -0.28 0.20 2.86 -1.05 -3.04 114.93 113.90 2hgk h MET 59 Ca 0.09 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.71 2hgk h MET 59 Cb 0.27 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 2hgk h MET 59 CO -0.00 0.40 0.09 0.45 1.06 0.00 0.00 176.91 178.91 2hgk h HIS 60 N 0.00 0.44 0.00 -0.22 3.86 -0.76 0.29 115.15 118.76 2hgk h HIS 60 Ca -0.00 -0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.16 2hgk h HIS 60 Cb 1.13 -0.13 -0.00 0.00 1.06 0.00 0.00 27.41 29.47 2hgk h HIS 60 CO 0.00 0.48 -0.02 0.22 0.86 0.00 0.00 177.93 179.46 2hgk h ASP 61 N 0.28 0.00 0.00 2.45 3.58 -1.12 0.28 116.42 121.89 2hgk h ASP 61 Ca 0.09 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.54 2hgk h ASP 61 Cb 0.24 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.29 2hgk h ASP 61 CO -0.00 0.02 -0.02 0.25 -2.88 0.00 0.00 179.24 176.61 2hgk h LEU 62 N 0.00 0.00 -0.81 2.28 5.85 -1.31 -3.33 115.31 117.99 2hgk h LEU 62 Ca -0.00 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 2hgk h LEU 62 Cb 0.09 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 2hgk h LEU 62 CO 0.00 0.50 0.08 -0.07 -0.34 0.00 0.00 178.44 178.61 2hgk h LEU 63 N -0.97 0.93 0.00 2.25 3.38 -0.12 -1.41 115.31 119.36 2hgk h LEU 63 Ca 0.00 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.76 2hgk h LEU 63 Cb 0.02 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.53 2hgk h LEU 63 CO 0.00 0.94 0.00 0.47 0.09 0.00 0.00 178.44 179.94 2hgk n ASP 64 N -4.22 0.00 -0.10 -0.43 8.00 0.96 -1.17 116.55 119.59 2hgk n ASP 64 Ca 0.04 -0.83 0.08 0.00 0.71 0.00 0.00 54.79 54.79 2hgk n ASP 64 Cb 0.29 -0.01 0.11 0.00 -0.02 0.00 0.00 41.12 41.49 2hgk n ASP 64 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2hgk n ASN 65 N -1.01 2.05 0.00 -2.24 3.02 -0.59 -5.04 115.26 111.45 2hgk n ASN 65 Ca 0.20 -2.84 0.00 0.00 -0.03 0.00 0.00 54.58 51.91 2hgk n ASN 65 Cb 0.10 -0.36 0.00 0.00 -0.61 0.00 0.00 39.78 38.91 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 -1.18 0.00 -1.33 3.52 5.02 -0.32 -4.97 118.16 118.90 2hgk n LYS 66 Ca 0.13 0.00 0.17 0.00 -2.02 0.00 0.00 58.31 56.58 2hgk n LYS 66 Cb 0.60 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.54 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 -2.97 -1.52 1.97 1.13 -1.26 -4.22 117.38 110.52 2hgk n GLN 67 Ca 0.00 2.30 -0.31 0.00 -1.94 0.00 0.00 57.00 57.05 2hgk n GLN 67 Cb 0.00 -3.51 0.06 0.00 0.11 0.00 0.00 30.24 26.90 2hgk n GLN 67 CO 0.00 0.00 0.00 -2.14 -1.44 0.00 0.00 177.06 173.48 2hgk s PRO 68 N -3.57 2.80 -0.21 -1.09 0.02 -1.26 -5.01 135.00 126.68 2hgk s PRO 68 Ca 0.00 1.01 -0.05 0.00 0.02 0.00 0.00 61.00 61.98 2hgk s PRO 68 Cb 0.00 -1.97 -0.02 0.00 0.02 0.00 0.00 34.50 32.52 2hgk s PRO 68 CO 0.00 -1.21 0.01 -0.51 -0.33 0.00 0.00 177.00 174.96 2hgk s LEU 69 N -5.60 3.30 -0.86 -5.54 1.43 -1.26 -5.02 118.68 105.13 2hgk s LEU 69 Ca 0.59 -0.20 -0.25 0.00 -1.03 0.00 0.00 54.13 53.24 2hgk s LEU 69 Cb -0.15 -1.84 -0.05 0.00 0.03 0.00 0.00 46.19 44.18 2hgk s LEU 69 CO 0.55 0.05 1.96 -2.16 0.23 0.00 0.00 176.35 176.97 2hgk s PRO 70 N 1.11 2.52 0.04 1.29 0.04 -1.26 -4.81 135.00 133.93 2hgk s PRO 70 Ca 0.03 -0.13 0.22 0.00 0.04 0.00 0.00 61.00 61.15 2hgk s PRO 70 Cb -0.14 -4.96 0.91 0.00 0.04 0.00 0.00 34.50 30.34 2hgk s PRO 70 CO 0.02 -3.34 1.69 0.41 0.04 0.00 0.00 177.00 175.82 2hgk n GLY 71 N 6.70 -1.28 1.10 0.56 0.00 -1.25 -2.39 105.19 108.63 2hgk n GLY 71 Ca 0.38 -0.06 0.04 0.00 0.00 0.00 0.00 46.02 46.38 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 -1.55 3.07 -2.36 4.61 0.00 -1.26 -3.80 120.51 119.22 2hgk n ALA 72 Ca 0.05 -0.87 -0.42 0.00 0.00 0.00 0.00 53.44 52.20 2hgk n ALA 72 Cb 0.26 -1.05 -0.03 0.00 0.00 0.00 0.00 19.45 18.64 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 -1.79 2.94 -0.30 0.00 5.36 -1.00 -4.99 117.98 118.20 2hgk s PHE 73 Ca 0.25 1.00 0.01 0.00 -0.96 0.00 0.00 56.93 57.23 2hgk s PHE 73 Cb 0.19 -3.53 0.15 0.00 -0.34 0.00 0.00 43.02 39.48 2hgk s PHE 73 CO 0.08 -1.85 0.35 0.00 -1.46 0.00 0.00 175.22 172.35 2hgk s ALA 74 N 2.71 -0.80 -0.34 11.12 0.00 -1.26 -4.65 121.76 128.55 2hgk s ALA 74 Ca 0.59 -0.15 0.17 0.00 0.00 0.00 0.00 51.96 52.57 2hgk s ALA 74 Cb -0.26 -1.95 -0.23 0.00 0.00 0.00 0.00 23.12 20.67 2hgk s ALA 74 CO 0.22 -1.78 0.52 1.33 0.00 0.00 0.00 175.76 176.04 2hgk n VAL 75 N 5.22 0.00 0.08 0.00 0.24 -1.26 -4.42 118.33 118.20 2hgk n VAL 75 Ca 0.00 -0.28 -0.12 0.00 -2.04 0.00 0.00 64.34 61.91 2hgk n VAL 75 Cb 0.48 0.47 -0.06 0.00 -1.47 0.00 0.00 33.84 33.26 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 1.91 -0.19 0.00 2.33 0.00 -1.92 -1.08 119.26 120.30 2hgk h ALA 76 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2hgk h ALA 76 Cb 0.63 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 2hgk h ALA 76 CO 0.00 -0.64 -0.05 -1.00 0.00 0.00 0.00 179.25 177.56 2hgk h PRO 77 N -0.24 0.00 -0.06 0.00 0.13 -1.99 -1.74 132.00 128.10 2hgk h PRO 77 Ca 0.03 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.07 2hgk h PRO 77 Cb 0.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.40 2hgk h PRO 77 CO -0.08 0.05 -0.29 -0.92 -0.23 0.00 0.00 178.00 176.53 2hgk h TYR 78 N 0.00 0.40 0.00 1.56 3.20 -1.57 -3.16 116.97 117.40 2hgk h TYR 78 Ca -0.00 -0.18 0.00 0.00 3.14 0.00 0.00 58.73 61.69 2hgk h TYR 78 Cb 0.27 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.48 2hgk h TYR 78 CO 0.00 0.91 0.00 0.66 -1.64 0.00 0.00 178.16 178.09 2hgk n TYR 79 N -4.46 0.51 -0.01 -3.82 4.01 -0.48 0.12 117.16 113.03 2hgk n TYR 79 Ca -0.09 0.16 0.03 0.00 -0.16 0.00 0.00 57.90 57.84 2hgk n TYR 79 Cb 0.49 -0.76 0.39 0.00 -0.31 0.00 0.00 39.34 39.15 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 0.55 0.02 -0.72 4.57 -1.29 -2.46 114.58 115.25 2hgk h GLU 80 Ca 0.00 -0.05 -0.40 0.00 -1.18 0.00 0.00 59.36 57.73 2hgk h GLU 80 Cb 0.56 -0.12 -0.06 0.00 -0.16 0.00 0.00 28.75 28.98 2hgk h GLU 80 CO 0.00 0.41 -2.29 -0.12 -1.18 0.00 0.00 179.01 175.84 2hgk n MET 81 N -4.43 0.63 0.15 1.92 1.56 -0.52 -4.38 117.12 112.05 2hgk n MET 81 Ca 0.03 0.27 0.00 0.00 -0.27 0.00 0.00 57.70 57.73 2hgk n MET 81 Cb 0.10 -1.56 0.22 0.00 2.15 0.00 0.00 33.22 34.12 2hgk n MET 81 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2hgk h ALA 82 N -0.47 1.04 -3.00 -5.12 0.00 -0.40 -3.40 119.26 107.91 2hgk h ALA 82 Ca -0.58 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 53.82 2hgk h ALA 82 Cb 1.72 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.42 2hgk h ALA 82 CO -0.22 0.69 0.00 -0.11 0.00 0.00 0.00 179.25 179.61 2hgk n LEU 83 N -3.82 0.00 -3.71 0.00 7.94 -0.93 -4.97 117.00 111.52 2hgk n LEU 83 Ca -0.01 0.00 0.03 0.00 -1.11 0.00 0.00 56.01 54.92 2hgk n LEU 83 Cb 0.57 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.52 2hgk n LEU 83 CO 0.41 0.00 1.13 0.00 -1.11 0.00 0.00 177.39 177.82 2hgk s ALA 84 N -4.00 -2.43 -0.74 1.96 0.00 -1.26 -5.02 121.76 110.28 2hgk s ALA 84 Ca 0.00 0.60 0.23 0.00 0.00 0.00 0.00 51.96 52.79 2hgk s ALA 84 Cb 0.00 0.48 0.19 0.00 0.00 0.00 0.00 23.12 23.79 2hgk s ALA 84 CO 0.00 -1.09 1.16 0.25 0.00 0.00 0.00 175.76 176.08 2hgk n THR 85 N -0.62 0.15 -3.14 0.00 -2.24 -1.26 -4.88 114.28 102.29 2hgk n THR 85 Ca -0.05 -0.17 -0.09 0.00 -2.27 0.00 0.00 64.05 61.46 2hgk n THR 85 Cb 0.62 0.22 0.03 0.00 -2.10 0.00 0.00 70.33 69.10 2hgk n THR 85 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2hgk n ASP 86 N -1.84 1.12 -2.43 3.42 9.92 -1.26 -4.91 116.55 120.56 2hgk n ASP 86 Ca 0.03 -1.73 -0.01 0.00 -0.53 0.00 0.00 54.79 52.55 2hgk n ASP 86 Cb 0.40 -0.16 0.00 0.00 -0.64 0.00 0.00 41.12 40.72 2hgk n ASP 86 CO 0.00 0.00 0.00 1.57 0.13 0.00 0.00 177.20 178.90 2hgk n HIS 87 N -1.49 -2.91 0.04 1.24 -0.00 -1.26 -4.72 115.22 106.13 2hgk n HIS 87 Ca 0.06 1.26 0.22 0.00 0.46 0.00 0.00 57.72 59.72 2hgk n HIS 87 Cb 0.28 -3.40 0.70 0.00 -0.12 0.00 0.00 29.99 27.44 2hgk n HIS 87 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 2hgk h PRO 88 N 2.09 0.00 0.00 1.57 0.11 -2.02 0.55 132.00 134.31 2hgk h PRO 88 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2hgk h PRO 88 Cb 0.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.29 2hgk h PRO 88 CO 0.09 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 178.92 2hgk n GLN 89 N -3.60 0.14 0.31 1.05 6.02 -1.26 -1.43 117.38 118.61 2hgk n GLN 89 Ca 0.10 0.61 0.18 0.00 -0.01 0.00 0.00 57.00 57.88 2hgk n GLN 89 Cb 0.77 -1.94 0.99 0.00 1.02 0.00 0.00 30.24 31.08 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 -0.92 -1.09 0.11 -1.16 -2.03 114.38 109.28 2hgk h ARG 90 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2hgk h ARG 90 Cb 0.04 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.07 2hgk h ARG 90 CO 0.00 0.02 0.58 0.00 0.10 0.00 0.00 179.97 180.67 2hgk h ALA 91 N 1.98 1.17 -0.41 0.08 0.00 -1.48 0.35 119.26 120.96 2hgk h ALA 91 Ca -0.00 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 2hgk h ALA 91 Cb 0.07 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 2hgk h ALA 91 CO 0.00 0.60 -0.02 -0.07 0.00 0.00 0.00 179.25 179.76 2hgk h LEU 92 N 1.26 0.73 -0.11 0.00 3.38 -1.58 0.84 115.31 119.83 2hgk h LEU 92 Ca 0.33 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2hgk h LEU 92 Cb -0.10 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.45 2hgk h LEU 92 CO -0.07 0.88 0.05 0.40 0.09 0.00 0.00 178.44 179.78 2hgk h ILE 93 N 0.57 1.14 -0.89 1.22 2.04 -1.40 -1.33 117.51 118.86 2hgk h ILE 93 Ca 0.11 -0.41 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 2hgk h ILE 93 Cb 0.51 1.22 -0.04 0.00 -0.74 0.00 0.00 36.82 37.77 2hgk h ILE 93 CO 0.03 0.12 0.51 -0.07 0.00 0.00 0.00 178.15 178.74 2hgk h LEU 94 N 0.03 1.09 -0.62 1.44 3.38 -0.22 0.15 115.31 120.56 2hgk h LEU 94 Ca 0.04 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 57.94 2hgk h LEU 94 Cb 0.16 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 2hgk h LEU 94 CO -0.00 0.86 0.39 0.00 0.09 0.00 0.00 178.44 179.78 2hgk h ALA 95 N 1.28 0.79 -0.61 1.53 0.00 -0.61 0.29 119.26 121.92 2hgk h ALA 95 Ca 0.32 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 2hgk h ALA 95 Cb -0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2hgk h ALA 95 CO -0.06 0.17 0.10 1.49 0.00 0.00 0.00 179.25 180.95 2hgk h GLU 96 N 0.79 1.02 -0.03 0.00 4.57 -0.65 -0.93 114.58 119.34 2hgk h GLU 96 Ca 0.24 -0.27 -0.00 0.00 -1.18 0.00 0.00 59.36 58.14 2hgk h GLU 96 Cb -0.03 -0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 28.44 2hgk h GLU 96 CO -0.08 0.95 0.01 -0.07 -1.18 0.00 0.00 179.01 178.65 2hgk h LEU 97 N 0.93 0.05 -1.52 1.64 3.38 -0.40 -1.47 115.31 117.91 2hgk h LEU 97 Ca 0.19 -0.16 0.04 0.00 0.09 0.00 0.00 57.88 58.03 2hgk h LEU 97 Cb 0.43 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 2hgk h LEU 97 CO 0.01 0.20 0.37 -0.33 0.09 0.00 0.00 178.44 178.78 2hgk h GLU 98 N -0.11 0.59 -0.59 1.13 5.08 -0.33 0.23 114.58 120.59 2hgk h GLU 98 Ca 0.01 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 2hgk h GLU 98 Cb 0.17 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 2hgk h GLU 98 CO -0.00 0.39 0.02 -0.22 -1.00 0.00 0.00 179.01 178.20 2hgk h LYS 99 N 0.61 1.01 -0.04 2.33 3.64 -0.80 -1.01 116.57 122.32 2hgk h LYS 99 Ca 0.23 -0.30 -0.03 0.00 -1.27 0.00 0.00 60.65 59.28 2hgk h LYS 99 Cb 0.15 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 2hgk h LYS 99 CO -0.06 0.98 -0.10 1.25 -2.27 0.00 0.00 179.45 179.25 2hgk h LEU 100 N 0.93 0.15 -0.90 5.20 5.85 -0.09 -2.72 115.31 123.74 2hgk h LEU 100 Ca 0.17 -0.61 0.11 0.00 0.84 0.00 0.00 57.88 58.39 2hgk h LEU 100 Cb 0.51 -0.04 -0.08 0.00 0.37 0.00 0.00 40.66 41.42 2hgk h LEU 100 CO 0.03 0.73 0.54 0.44 -0.34 0.00 0.00 178.44 179.83 2hgk h ASP 101 N -0.42 0.77 0.35 1.25 3.32 -0.58 -0.49 116.42 120.62 2hgk h ASP 101 Ca -0.00 0.05 -0.07 0.00 0.02 0.00 0.00 57.03 57.03 2hgk h ASP 101 Cb 0.72 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.15 2hgk h ASP 101 CO 0.02 0.42 -0.34 0.00 -1.72 0.00 0.00 179.24 177.63 2hgk h ALA 102 N 1.49 1.42 -0.24 3.45 0.00 -1.18 -0.16 119.26 124.04 2hgk h ALA 102 Ca 0.44 -0.30 -0.14 0.00 0.00 0.00 0.00 54.91 54.90 2hgk h ALA 102 Cb 0.42 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2hgk h ALA 102 CO -0.26 0.42 -0.45 -0.07 0.00 0.00 0.00 179.25 178.89 2hgk h LEU 103 N 0.00 0.65 -0.39 0.00 3.38 -0.76 -1.46 115.31 116.73 2hgk h LEU 103 Ca -0.00 -0.31 -0.18 0.00 0.09 0.00 0.00 57.88 57.48 2hgk h LEU 103 Cb 0.60 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 2hgk h LEU 103 CO 0.04 1.00 -0.78 -0.26 0.09 0.00 0.00 178.44 178.54 2hgk h PHE 104 N 0.49 0.40 0.00 1.13 0.04 -1.17 -2.99 116.94 114.83 2hgk h PHE 104 Ca 0.03 -0.19 0.00 0.00 2.80 0.00 0.00 57.97 60.61 2hgk h PHE 104 Cb 0.97 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 39.07 2hgk h PHE 104 CO 0.04 0.95 0.00 0.00 -0.60 0.00 0.00 178.31 178.71 2hgk n ALA 105 N -2.48 2.30 -0.10 2.45 0.00 -0.10 -2.79 120.51 119.79 2hgk n ALA 105 Ca -0.04 -0.13 -0.10 0.00 0.00 0.00 0.00 53.44 53.17 2hgk n ALA 105 Cb 0.74 -1.33 -0.03 0.00 0.00 0.00 0.00 19.45 18.83 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 0.00 0.47 -3.15 0.00 3.58 -1.12 -3.37 116.42 112.83 2hgk h ASP 106 Ca 0.00 -0.24 -0.75 0.00 0.42 0.00 0.00 57.03 56.46 2hgk h ASP 106 Cb 0.00 -0.12 -0.26 0.00 1.72 0.00 0.00 39.33 40.67 2hgk h ASP 106 CO 0.00 0.59 -0.27 -0.62 -2.88 0.00 0.00 179.24 176.07 2hgk s ASP 107 N -5.89 6.05 -0.33 2.28 2.15 -1.12 -5.02 116.67 114.79 2hgk s ASP 107 Ca -0.13 -1.83 -0.27 0.00 0.43 0.00 0.00 52.55 50.74 2hgk s ASP 107 Cb 0.09 -2.15 -0.06 0.00 -0.30 0.00 0.00 42.92 40.49 2hgk s ASP 107 CO 0.75 -0.81 2.30 0.00 -0.17 0.00 0.00 175.17 177.24 2hgk n ALA 108 N 5.15 1.40 -1.55 3.66 0.00 -1.26 -4.33 120.51 123.58 2hgk n ALA 108 Ca -0.12 -0.51 -0.13 0.00 0.00 0.00 0.00 53.44 52.67 2hgk n ALA 108 Cb 0.40 -3.02 -0.09 0.00 0.00 0.00 0.00 19.45 16.74 2hgk n ALA 108 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2hgk n SER 109 N 13.29 1.44 -3.34 0.00 7.64 -1.26 -4.71 113.62 126.67 2hgk n SER 109 Ca 0.33 -1.75 0.02 0.00 1.01 0.00 0.00 58.87 58.48 2hgk n SER 109 Cb 0.48 -1.62 -0.04 0.00 -1.01 0.00 0.00 64.21 62.03 2hgk n SER 109 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2hgk s LEU 110 N 14.72 -0.47 0.00 -3.43 1.43 -1.26 -5.03 118.68 124.64 2hgk s LEU 110 Ca 0.89 0.63 0.00 0.00 -1.03 0.00 0.00 54.13 54.63 2hgk s LEU 110 Cb -0.14 1.53 0.00 0.00 0.03 0.00 0.00 46.19 47.62 2hgk s LEU 110 CO 0.13 -0.09 0.68 -0.62 0.23 0.00 0.00 176.35 176.69 2hgk n GLU 111 N 4.92 0.75 -0.00 1.70 1.02 -1.26 -1.20 120.64 126.56 2hgk n GLU 111 Ca -0.08 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.14 2hgk n GLU 111 Cb 0.53 -1.06 -0.10 0.00 -0.02 0.00 0.00 31.44 30.79 2hgk n GLU 111 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 2hgk n HIS 112 N -0.40 0.00 -0.00 -0.32 -0.00 -1.26 -4.64 115.22 108.60 2hgk n HIS 112 Ca 0.00 0.00 -0.00 0.00 0.46 0.00 0.00 57.72 58.18 2hgk n HIS 112 Cb 0.03 -0.05 -0.00 0.00 -0.12 0.00 0.00 29.99 29.85 2hgk n HIS 112 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2hgk h HIS 113 N 0.00 0.00 -3.83 1.57 3.86 -1.46 -3.45 115.15 111.84 2hgk h HIS 113 Ca 0.00 0.00 -0.48 0.00 -1.16 0.00 0.00 60.37 58.73 2hgk h HIS 113 Cb 0.46 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.91 2hgk h HIS 113 CO 0.00 0.00 0.36 -1.01 0.86 0.00 0.00 177.93 178.14 2hgk s HIS 114 N -1.05 3.78 -0.07 2.45 4.02 -1.25 -5.04 115.29 118.14 2hgk s HIS 114 Ca -0.00 1.83 -0.17 0.00 1.02 0.00 0.00 55.06 57.73 2hgk s HIS 114 Cb 0.00 -2.98 -0.05 0.00 -1.02 0.00 0.00 32.58 28.53 2hgk s HIS 114 CO 0.00 0.22 0.47 -1.58 1.02 0.00 0.00 174.74 174.87 2hgk s HIS 115 N -1.42 3.60 0.02 1.40 2.46 -1.26 -4.81 115.29 115.27 2hgk s HIS 115 Ca 0.47 0.95 -0.27 0.00 0.47 0.00 0.00 55.06 56.68 2hgk s HIS 115 Cb -0.23 -2.47 -0.16 0.00 -0.13 0.00 0.00 32.58 29.59 2hgk s HIS 115 CO 0.28 0.34 1.19 0.45 -2.47 0.00 0.00 174.74 174.53 2hgk h HIS 116 N 5.96 -0.71 0.00 3.88 -0.00 -1.96 -3.53 115.15 118.79 2hgk h HIS 116 Ca -0.45 -0.02 0.00 0.00 -0.00 0.00 0.00 60.37 59.91 2hgk h HIS 116 Cb 1.19 0.24 0.00 0.00 -0.00 0.00 0.00 27.41 28.84 2hgk h HIS 116 CO 0.65 -0.38 0.00 0.72 -0.00 0.00 0.00 177.93 178.92