#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgk h THR 2 N 0.00 0.00 -0.67 2.03 2.02 -2.01 -0.66 112.91 113.62 2hgk h THR 2 Ca 0.00 -0.07 0.07 0.00 0.77 0.00 0.00 66.41 67.18 2hgk h THR 2 Cb 0.00 0.79 -0.04 0.00 -1.74 0.00 0.00 68.15 67.16 2hgk h THR 2 CO 0.00 0.00 0.45 0.74 0.37 0.00 0.00 175.52 177.08 2hgk h THR 3 N 0.00 0.98 -0.07 3.16 2.02 -2.03 -2.01 112.91 114.96 2hgk h THR 3 Ca 0.00 -0.22 -0.18 0.00 0.77 0.00 0.00 66.41 66.78 2hgk h THR 3 Cb 0.09 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 2hgk h THR 3 CO 0.00 0.12 -0.73 0.45 0.37 0.00 0.00 175.52 175.73 2hgk h HIS 4 N 0.63 0.48 -0.72 3.16 -0.00 -1.49 -2.97 115.15 114.24 2hgk h HIS 4 Ca 0.30 -0.21 0.01 0.00 -0.00 0.00 0.00 60.37 60.46 2hgk h HIS 4 Cb 0.35 -0.07 -0.04 0.00 -0.00 0.00 0.00 27.41 27.65 2hgk h HIS 4 CO -0.00 0.96 0.48 -0.44 -0.00 0.00 0.00 177.93 178.92 2hgk h ASP 5 N 0.24 0.82 0.75 2.45 5.19 -1.48 0.70 116.42 125.09 2hgk h ASP 5 Ca -0.03 -0.02 -0.12 0.00 -0.62 0.00 0.00 57.03 56.25 2hgk h ASP 5 Cb 1.30 -0.20 -0.02 0.00 0.18 0.00 0.00 39.33 40.59 2hgk h ASP 5 CO 0.12 0.59 -0.55 0.03 -3.12 0.00 0.00 179.24 176.31 2hgk h ARG 6 N 0.97 0.00 -0.48 3.56 3.08 -1.50 0.17 114.38 120.18 2hgk h ARG 6 Ca 0.27 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.19 2hgk h ARG 6 Cb -0.10 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 2hgk h ARG 6 CO -0.06 0.55 -0.17 0.28 -1.07 0.00 0.00 179.97 179.50 2hgk h VAL 7 N 0.00 1.27 -0.72 2.04 2.07 -1.22 -1.28 116.25 118.41 2hgk h VAL 7 Ca -0.01 -1.32 0.01 0.00 0.82 0.00 0.00 66.70 66.20 2hgk h VAL 7 Cb 1.08 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 31.92 2hgk h VAL 7 CO 0.07 0.46 0.48 -0.09 0.02 0.00 0.00 177.57 178.50 2hgk h ARG 8 N 0.82 0.95 -0.48 1.57 2.43 -0.45 -1.31 114.38 117.91 2hgk h ARG 8 Ca 0.12 -0.06 0.02 0.00 -0.81 0.00 0.00 59.98 59.25 2hgk h ARG 8 Cb 0.74 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 30.05 2hgk h ARG 8 CO 0.06 0.63 0.32 -0.07 -1.51 0.00 0.00 179.97 179.40 2hgk h LEU 9 N 0.98 0.49 -0.24 3.80 3.38 -0.65 -1.37 115.31 121.69 2hgk h LEU 9 Ca 0.26 -0.01 -0.21 0.00 0.09 0.00 0.00 57.88 58.01 2hgk h LEU 9 Cb -0.11 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.53 2hgk h LEU 9 CO -0.06 0.34 -0.80 -0.61 0.09 0.00 0.00 178.44 177.41 2hgk h GLN 10 N 0.57 0.60 -0.74 1.13 5.75 -0.39 0.48 115.11 122.50 2hgk h GLN 10 Ca 0.19 -0.51 0.00 0.00 -0.15 0.00 0.00 58.65 58.17 2hgk h GLN 10 Cb 0.05 0.12 -0.04 0.00 1.07 0.00 0.00 27.48 28.68 2hgk h GLN 10 CO -0.05 1.14 0.46 -0.07 -2.65 0.00 0.00 178.83 177.66 2hgk h LEU 11 N 0.40 0.87 -0.69 -2.39 3.38 -0.70 0.89 115.31 117.06 2hgk h LEU 11 Ca -0.05 -0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.74 2hgk h LEU 11 Cb 1.41 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 2hgk h LEU 11 CO 0.15 0.65 -0.54 1.56 0.09 0.00 0.00 178.44 180.35 2hgk h GLN 12 N 1.01 0.31 -0.13 1.13 4.20 -1.02 -0.60 115.11 120.02 2hgk h GLN 12 Ca 0.27 -0.19 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 2hgk h GLN 12 Cb -0.07 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 2hgk h GLN 12 CO -0.05 0.78 0.03 0.00 -0.67 0.00 0.00 178.83 178.92 2hgk h ALA 13 N 1.19 0.16 -0.47 3.87 0.00 0.15 0.24 119.26 124.40 2hgk h ALA 13 Ca 0.00 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 2hgk h ALA 13 Cb 1.03 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 2hgk h ALA 13 CO 0.09 -0.21 0.28 1.25 0.00 0.00 0.00 179.25 180.65 2hgk h LEU 14 N 0.01 0.58 -0.55 0.00 5.85 -0.80 0.86 115.31 121.25 2hgk h LEU 14 Ca 0.04 -0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.71 2hgk h LEU 14 Cb 0.24 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 2hgk h LEU 14 CO -0.00 0.48 0.35 -0.08 -0.34 0.00 0.00 178.44 178.85 2hgk h GLU 15 N 0.63 0.69 -0.89 1.25 4.81 -0.98 -0.80 114.58 119.28 2hgk h GLU 15 Ca 0.17 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.35 2hgk h GLU 15 Cb 0.01 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.20 2hgk h GLU 15 CO -0.03 0.45 0.53 0.00 -0.73 0.00 0.00 179.01 179.23 2hgk h ALA 16 N 1.22 1.13 -0.94 2.92 0.00 -0.02 0.28 119.26 123.86 2hgk h ALA 16 Ca 0.21 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2hgk h ALA 16 Cb -0.03 -0.36 -0.05 0.00 0.00 0.00 0.00 17.79 17.36 2hgk h ALA 16 CO -0.07 0.60 0.57 1.25 0.00 0.00 0.00 179.25 181.61 2hgk h LEU 17 N 1.23 1.12 -1.07 0.00 6.46 -0.25 0.12 115.31 122.91 2hgk h LEU 17 Ca 0.32 -0.06 -0.09 0.00 -0.12 0.00 0.00 57.88 57.92 2hgk h LEU 17 Cb -0.03 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 39.60 2hgk h LEU 17 CO -0.06 0.85 -0.44 -0.07 -0.62 0.00 0.00 178.44 178.10 2hgk h LEU 18 N 1.29 0.00 -0.07 2.25 3.38 -0.35 -1.21 115.31 120.60 2hgk h LEU 18 Ca 0.34 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.17 2hgk h LEU 18 Cb -0.07 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.69 2hgk h LEU 18 CO -0.07 0.44 -0.48 0.03 0.09 0.00 0.00 178.44 178.45 2hgk h ARG 19 N 0.00 0.45 -0.29 1.13 3.08 0.05 0.40 114.38 119.19 2hgk h ARG 19 Ca -0.00 -0.39 -0.11 0.00 0.07 0.00 0.00 59.98 59.55 2hgk h ARG 19 Cb 0.83 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.96 2hgk h ARG 19 CO 0.06 1.03 -0.26 0.93 -1.07 0.00 0.00 179.97 180.66 2hgk h GLU 20 N -0.01 0.58 -0.01 0.04 4.39 -0.70 -1.76 114.58 117.11 2hgk h GLU 20 Ca -0.04 -0.23 0.00 0.00 0.34 0.00 0.00 59.36 59.43 2hgk h GLU 20 Cb 1.15 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.77 2hgk h GLU 20 CO 0.10 0.79 -0.01 0.72 -1.16 0.00 0.00 179.01 179.45 2hgk n HIS 21 N -4.11 0.00 -3.38 4.33 8.25 -0.47 -4.97 115.22 114.89 2hgk n HIS 21 Ca -0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.34 2hgk n HIS 21 Cb 0.43 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.53 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 -0.24 -1.41 -0.13 -0.41 6.02 -0.39 -4.94 117.38 115.89 2hgk n GLN 22 Ca 0.20 1.15 0.01 0.00 -0.01 0.00 0.00 57.00 58.35 2hgk n GLN 22 Cb 0.28 -4.35 0.01 0.00 1.02 0.00 0.00 30.24 27.20 2hgk n GLN 22 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2hgk n HIS 23 N -2.24 0.00 -2.41 1.08 8.25 0.13 -4.94 115.22 115.08 2hgk n HIS 23 Ca -0.13 -0.17 -0.43 0.00 -0.26 0.00 0.00 57.72 56.73 2hgk n HIS 23 Cb 0.58 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.66 2hgk n HIS 23 CO 0.00 0.00 0.00 1.87 0.64 0.00 0.00 176.34 178.85 2hgk n TRP 24 N -0.20 3.50 -3.53 4.41 -0.00 -1.22 -4.79 117.44 115.61 2hgk n TRP 24 Ca 0.01 -2.93 -0.29 0.00 -0.00 0.00 0.00 57.50 54.29 2hgk n TRP 24 Cb 0.52 -2.09 -0.14 0.00 -0.00 0.00 0.00 31.31 29.60 2hgk n TRP 24 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 177.69 178.72 2hgk s ARG 25 N 1.09 0.44 -0.15 5.87 0.52 -1.26 -5.07 118.95 120.39 2hgk s ARG 25 Ca 0.42 -1.00 -0.29 0.00 -0.52 0.00 0.00 55.73 54.34 2hgk s ARG 25 Cb 0.07 -1.34 -0.05 0.00 0.52 0.00 0.00 34.95 34.15 2hgk s ARG 25 CO -0.00 -1.11 1.95 -0.80 0.02 0.00 0.00 175.30 175.36 2hgk s ASN 26 N 1.52 6.03 -1.36 0.23 0.01 -1.26 -4.85 114.94 115.26 2hgk s ASN 26 Ca 0.13 2.02 -0.14 0.00 -0.71 0.00 0.00 52.86 54.16 2hgk s ASN 26 Cb -0.20 -2.52 -0.02 0.00 0.41 0.00 0.00 41.25 38.92 2hgk s ASN 26 CO -0.17 -1.48 2.33 0.47 -1.51 0.00 0.00 177.10 176.73 2hgk n ASP 27 N 9.48 4.72 -2.94 -1.22 8.00 -1.26 -4.59 116.55 128.74 2hgk n ASP 27 Ca 0.23 -2.73 -0.11 0.00 0.71 0.00 0.00 54.79 52.90 2hgk n ASP 27 Cb 0.44 -1.52 0.01 0.00 -0.02 0.00 0.00 41.12 40.03 2hgk n ASP 27 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 2hgk n GLU 28 N 5.62 -2.45 -1.58 -1.24 4.07 -1.26 -4.79 120.64 119.01 2hgk n GLU 28 Ca 0.57 2.09 -0.35 0.00 -0.06 0.00 0.00 57.16 59.41 2hgk n GLU 28 Cb 0.34 -4.82 -0.03 0.00 -0.06 0.00 0.00 31.44 26.88 2hgk n GLU 28 CO 0.00 0.00 0.00 -2.14 -0.06 0.00 0.00 177.13 174.93 2hgk s PRO 29 N -2.29 2.08 -0.11 5.31 0.02 -1.26 -4.94 135.00 133.81 2hgk s PRO 29 Ca 0.20 1.30 -0.06 0.00 0.02 0.00 0.00 61.00 62.46 2hgk s PRO 29 Cb -0.05 -4.59 -0.04 0.00 0.02 0.00 0.00 34.50 29.84 2hgk s PRO 29 CO 0.75 -3.34 0.14 -1.14 -0.33 0.00 0.00 177.00 173.07 2hgk s GLN 30 N 8.26 3.42 0.47 5.54 2.00 -1.26 -5.00 119.66 133.09 2hgk s GLN 30 Ca 0.96 -0.16 0.27 0.00 -2.00 0.00 0.00 55.36 54.43 2hgk s GLN 30 Cb -0.16 -3.16 1.33 0.00 0.80 0.00 0.00 33.01 31.81 2hgk s GLN 30 CO 0.24 0.77 1.80 -1.35 -0.50 0.00 0.00 175.29 176.25 2hgk h PRO 31 N 4.93 0.18 -0.08 1.67 0.11 -2.01 0.40 132.00 137.19 2hgk h PRO 31 Ca -0.54 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.58 2hgk h PRO 31 Cb 1.23 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 2hgk h PRO 31 CO 0.58 0.12 0.14 1.12 -0.21 0.00 0.00 178.00 179.75 2hgk h HIS 32 N 0.19 0.00 0.65 0.65 2.07 -1.98 0.11 115.15 116.84 2hgk h HIS 32 Ca 0.56 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 58.05 2hgk h HIS 32 Cb 1.84 0.00 0.01 0.00 2.57 0.00 0.00 27.41 31.83 2hgk h HIS 32 CO -0.00 0.00 -0.31 0.37 -3.07 0.00 0.00 177.93 174.92 2hgk h GLN 33 N 0.00 -0.84 0.00 5.12 4.15 -1.28 -2.83 115.11 119.44 2hgk h GLN 33 Ca 0.04 0.06 -0.11 0.00 0.77 0.00 0.00 58.65 59.40 2hgk h GLN 33 Cb 0.31 0.19 -0.02 0.00 0.21 0.00 0.00 27.48 28.18 2hgk h GLN 33 CO -0.00 -0.56 -0.54 0.74 -1.93 0.00 0.00 178.83 176.54 2hgk h PHE 34 N -1.11 0.00 -0.35 3.99 0.04 -1.48 -3.00 116.94 115.03 2hgk h PHE 34 Ca -0.09 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.55 2hgk h PHE 34 Cb 0.67 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.80 2hgk h PHE 34 CO 0.02 0.54 -0.30 -0.97 -0.60 0.00 0.00 178.31 177.00 2hgk h ASN 35 N 0.00 0.77 -0.86 2.17 -1.24 -0.90 -2.16 115.58 113.36 2hgk h ASN 35 Ca -0.01 -0.31 0.02 0.00 0.71 0.00 0.00 56.30 56.71 2hgk h ASN 35 Cb 0.98 -0.21 -0.04 0.00 0.73 0.00 0.00 38.32 39.77 2hgk h ASN 35 CO 0.07 1.02 0.57 0.28 -1.29 0.00 0.00 177.43 178.08 2hgk h SER 36 N 0.63 0.97 -0.63 1.15 0.02 -1.36 -3.46 113.55 110.87 2hgk h SER 36 Ca 0.07 -0.02 -0.27 0.00 -0.84 0.00 0.00 61.79 60.73 2hgk h SER 36 Cb 0.83 -0.24 -0.11 0.00 0.14 0.00 0.00 62.40 63.02 2hgk h SER 36 CO 0.07 0.69 -0.25 0.41 -1.14 0.00 0.00 176.83 176.61 2hgk n THR 37 N -4.42 0.00 -1.93 -2.27 -1.04 -0.81 -4.95 114.28 98.86 2hgk n THR 37 Ca 0.10 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.71 2hgk n THR 37 Cb 0.05 -1.52 -0.01 0.00 -1.82 0.00 0.00 70.33 67.03 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 -3.05 4.14 0.02 -2.82 -1.52 -1.26 -4.92 119.66 110.26 2hgk s GLN 38 Ca 0.00 2.39 -0.32 0.00 -1.95 0.00 0.00 55.36 55.49 2hgk s GLN 38 Cb 0.00 -2.95 -0.11 0.00 -0.22 0.00 0.00 33.01 29.73 2hgk s GLN 38 CO 0.00 -0.44 1.90 -0.35 -0.25 0.00 0.00 175.29 176.15 2hgk n PRO 39 N 0.48 2.60 -0.76 2.91 -0.04 -1.26 -0.31 135.00 138.62 2hgk n PRO 39 Ca 0.01 0.95 0.00 0.00 -0.04 0.00 0.00 63.50 64.42 2hgk n PRO 39 Cb 0.41 -2.85 0.00 0.00 -0.04 0.00 0.00 33.50 31.02 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 6.62 0.00 -3.12 0.54 3.72 -1.26 -3.17 117.46 120.78 2hgk n PHE 40 Ca 0.20 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.38 2hgk n PHE 40 Cb 0.36 -0.90 0.02 0.00 -0.94 0.00 0.00 39.48 38.02 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 -2.07 -1.87 0.02 1.38 3.72 0.58 -4.62 117.46 114.61 2hgk n PHE 41 Ca 0.00 0.48 -0.10 0.00 -0.05 0.00 0.00 57.45 57.78 2hgk n PHE 41 Cb 0.04 -3.84 -0.04 0.00 -0.94 0.00 0.00 39.48 34.71 2hgk n PHE 41 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 2hgk h MET 42 N -1.16 -0.25 -1.05 -1.08 2.86 -1.77 0.22 114.93 112.70 2hgk h MET 42 Ca -0.48 0.02 -0.20 0.00 -2.06 0.00 0.00 59.70 56.97 2hgk h MET 42 Cb 1.33 0.06 -0.12 0.00 0.06 0.00 0.00 31.60 32.93 2hgk h MET 42 CO 0.55 -0.16 0.26 -0.25 1.06 0.00 0.00 176.91 178.36 2hgk n ASP 43 N -5.32 3.53 0.00 1.22 8.00 -1.26 -4.01 116.55 118.71 2hgk n ASP 43 Ca -0.04 -2.64 0.00 0.00 0.71 0.00 0.00 54.79 52.82 2hgk n ASP 43 Cb 0.23 -0.67 0.00 0.00 -0.02 0.00 0.00 41.12 40.67 2hgk n ASP 43 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2hgk n THR 44 N -0.07 0.00 -4.49 -3.53 -1.04 -0.68 -5.07 114.28 99.40 2hgk n THR 44 Ca 0.23 0.00 -0.26 0.00 -2.04 0.00 0.00 64.05 61.98 2hgk n THR 44 Cb 0.92 -0.36 -0.08 0.00 -1.82 0.00 0.00 70.33 68.99 2hgk n THR 44 CO 0.00 0.00 0.00 0.23 -0.64 0.00 0.00 175.07 174.66 2hgk n MET 45 N -2.41 0.54 -2.34 -2.82 2.81 0.67 -4.95 117.12 108.62 2hgk n MET 45 Ca 0.00 -3.59 -0.38 0.00 -1.81 0.00 0.00 57.70 51.92 2hgk n MET 45 Cb 0.00 2.09 -0.02 0.00 -0.71 0.00 0.00 33.22 34.58 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 -3.60 4.03 0.55 0.03 8.01 -1.26 -4.49 118.70 121.97 2hgk s GLU 46 Ca 0.25 1.76 0.25 0.00 0.01 0.00 0.00 54.97 57.24 2hgk s GLU 46 Cb 0.01 -2.61 1.47 0.00 -4.31 0.00 0.00 34.13 28.70 2hgk s GLU 46 CO 0.17 -0.32 2.05 -1.35 0.01 0.00 0.00 175.26 175.83 2hgk h PRO 47 N 2.52 0.00 0.00 0.39 0.11 -1.87 0.41 132.00 133.56 2hgk h PRO 47 Ca -0.49 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.52 2hgk h PRO 47 Cb 1.23 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 2hgk h PRO 47 CO 0.62 0.00 -0.49 1.25 -0.21 0.00 0.00 178.00 179.18 2hgk h LEU 48 N 0.00 0.00 -1.27 2.35 5.85 -1.92 -3.04 115.31 117.27 2hgk h LEU 48 Ca 0.15 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 2hgk h LEU 48 Cb 0.67 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.69 2hgk h LEU 48 CO -0.00 0.49 -0.15 -0.33 -0.34 0.00 0.00 178.44 178.10 2hgk h GLU 49 N 0.00 0.00 -0.17 1.25 4.39 -1.28 0.28 114.58 119.05 2hgk h GLU 49 Ca -0.00 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.51 2hgk h GLU 49 Cb 0.98 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.63 2hgk h GLU 49 CO 0.06 0.15 -0.62 2.35 -1.16 0.00 0.00 179.01 179.80 2hgk h TRP 50 N 0.00 0.96 -0.08 4.33 7.01 -1.55 -3.02 115.95 123.60 2hgk h TRP 50 Ca -0.00 -0.40 -0.10 0.00 2.11 0.00 0.00 58.89 60.51 2hgk h TRP 50 Cb 0.65 -0.16 -0.01 0.00 -2.10 0.00 0.00 29.16 27.54 2hgk h TRP 50 CO 0.00 1.21 -0.39 1.25 -2.79 0.00 0.00 178.44 177.72 2hgk h LEU 51 N 0.43 0.17 0.00 0.65 5.85 -1.36 0.14 115.31 121.19 2hgk h LEU 51 Ca -0.03 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.63 2hgk h LEU 51 Cb 1.25 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.23 2hgk h LEU 51 CO 0.13 0.55 0.00 1.67 -0.34 0.00 0.00 178.44 180.45 2hgk n GLN 52 N -4.05 0.00 0.00 1.25 7.27 0.92 -4.37 117.38 118.40 2hgk n GLN 52 Ca -0.01 0.29 0.00 0.00 0.07 0.00 0.00 57.00 57.35 2hgk n GLN 52 Cb 0.45 -1.21 0.00 0.00 2.41 0.00 0.00 30.24 31.89 2hgk n GLN 52 CO 0.00 0.00 0.00 1.87 0.07 0.00 0.00 177.06 179.00 2hgk n TRP 53 N -1.25 0.00 -0.07 3.69 -0.00 -1.17 -4.74 117.44 113.90 2hgk n TRP 53 Ca 0.00 -0.28 -0.06 0.00 -0.00 0.00 0.00 57.50 57.16 2hgk n TRP 53 Cb 0.00 -0.03 -0.02 0.00 -0.00 0.00 0.00 31.31 31.26 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 -0.28 1.16 0.15 5.87 0.31 -0.92 -4.48 118.33 120.13 2hgk n VAL 54 Ca 0.00 0.23 -0.13 0.00 -0.01 0.00 0.00 64.34 64.43 2hgk n VAL 54 Cb 0.19 -2.17 -0.08 0.00 -0.91 0.00 0.00 33.84 30.87 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 -0.78 -1.16 0.09 7.52 5.85 -0.94 -0.53 115.31 125.35 2hgk h LEU 55 Ca 0.00 0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.85 2hgk h LEU 55 Cb 0.71 0.41 -0.04 0.00 0.37 0.00 0.00 40.66 42.11 2hgk h LEU 55 CO 0.00 -0.47 -0.26 0.40 -0.34 0.00 0.00 178.44 177.77 2hgk h ILE 56 N -0.66 0.41 -0.35 4.05 2.04 -1.84 0.13 117.51 121.29 2hgk h ILE 56 Ca -0.02 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.74 2hgk h ILE 56 Cb 0.62 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 2hgk h ILE 56 CO -0.15 0.00 -0.17 -0.65 0.00 0.00 0.00 178.15 177.18 2hgk h PRO 57 N -0.46 0.65 -0.12 2.37 0.11 -1.78 -1.32 132.00 131.45 2hgk h PRO 57 Ca 0.04 -0.22 -0.03 0.00 0.11 0.00 0.00 66.00 65.89 2hgk h PRO 57 Cb 0.50 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.56 2hgk h PRO 57 CO -0.17 0.78 -0.05 -0.09 -0.21 0.00 0.00 178.00 178.26 2hgk h ARG 58 N 0.58 0.24 0.00 1.05 2.43 -0.68 -2.64 114.38 115.36 2hgk h ARG 58 Ca 0.09 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 2hgk h ARG 58 Cb 0.61 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.15 2hgk h ARG 58 CO 0.04 0.57 -0.06 0.52 -1.51 0.00 0.00 179.97 179.54 2hgk h MET 59 N -0.10 0.00 -0.47 0.20 2.86 -0.75 -2.49 114.93 114.19 2hgk h MET 59 Ca 0.03 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.64 2hgk h MET 59 Cb 0.50 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.14 2hgk h MET 59 CO 0.02 0.06 0.18 0.45 1.06 0.00 0.00 176.91 178.68 2hgk h HIS 60 N 0.00 0.71 -1.01 -0.22 3.86 -0.90 0.24 115.15 117.83 2hgk h HIS 60 Ca -0.00 -0.05 0.06 0.00 -1.16 0.00 0.00 60.37 59.21 2hgk h HIS 60 Cb 0.56 -0.21 -0.06 0.00 1.06 0.00 0.00 27.41 28.75 2hgk h HIS 60 CO 0.00 0.61 0.65 0.22 0.86 0.00 0.00 177.93 180.27 2hgk h ASP 61 N 0.61 1.06 0.08 2.45 3.58 -1.11 0.74 116.42 123.83 2hgk h ASP 61 Ca 0.16 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.60 2hgk h ASP 61 Cb 0.20 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.02 2hgk h ASP 61 CO -0.01 0.70 -0.04 0.25 -2.88 0.00 0.00 179.24 177.25 2hgk h LEU 62 N 1.21 -0.09 -0.21 2.28 5.85 -1.39 -2.44 115.31 120.51 2hgk h LEU 62 Ca 0.42 -0.15 -0.21 0.00 0.84 0.00 0.00 57.88 58.78 2hgk h LEU 62 Cb 0.11 0.02 0.01 0.00 0.37 0.00 0.00 40.66 41.17 2hgk h LEU 62 CO -0.16 0.10 -0.72 -0.07 -0.34 0.00 0.00 178.44 177.25 2hgk h LEU 63 N -0.28 0.92 -1.35 2.25 3.38 -0.38 -0.27 115.31 119.59 2hgk h LEU 63 Ca -0.01 -0.58 -0.06 0.00 0.09 0.00 0.00 57.88 57.33 2hgk h LEU 63 Cb 0.24 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2hgk h LEU 63 CO 0.02 1.37 -0.15 0.44 0.09 0.00 0.00 178.44 180.21 2hgk h ASP 64 N 0.56 0.23 -0.02 -0.43 5.19 0.42 0.29 116.42 122.66 2hgk h ASP 64 Ca -0.03 -0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.32 2hgk h ASP 64 Cb 1.34 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.79 2hgk h ASP 64 CO 0.15 0.41 0.00 0.59 -3.12 0.00 0.00 179.24 177.27 2hgk n ASN 65 N -4.25 1.20 -2.17 6.45 3.02 -0.92 -4.92 115.26 113.67 2hgk n ASN 65 Ca -0.01 -1.42 -0.18 0.00 -0.03 0.00 0.00 54.58 52.95 2hgk n ASN 65 Cb 0.29 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.45 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 -0.06 -2.24 -2.64 3.52 5.02 0.09 -4.98 118.16 116.88 2hgk n LYS 66 Ca 0.20 0.82 -0.33 0.00 -2.02 0.00 0.00 58.31 56.98 2hgk n LYS 66 Cb 0.30 -5.32 -0.05 0.00 -0.02 0.00 0.00 35.03 29.94 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 -5.07 4.00 0.65 1.97 -0.21 -0.15 -5.01 119.66 115.83 2hgk s GLN 67 Ca 0.08 1.20 -0.18 0.00 0.02 0.00 0.00 55.36 56.48 2hgk s GLN 67 Cb -0.03 -2.14 -0.01 0.00 1.00 0.00 0.00 33.01 31.82 2hgk s GLN 67 CO 0.10 -0.24 1.22 -2.30 -2.12 0.00 0.00 175.29 171.95 2hgk n PRO 68 N -0.91 1.02 -2.47 2.91 -0.02 -1.26 -4.70 135.00 129.56 2hgk n PRO 68 Ca 0.08 0.40 -0.32 0.00 -2.02 0.00 0.00 63.50 61.64 2hgk n PRO 68 Cb 0.53 -2.45 -0.04 0.00 -0.02 0.00 0.00 33.50 31.52 2hgk n PRO 68 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2hgk s LEU 69 N -3.92 3.69 -0.48 2.45 1.43 -1.26 -5.00 118.68 115.58 2hgk s LEU 69 Ca 0.81 1.61 -0.29 0.00 -1.03 0.00 0.00 54.13 55.24 2hgk s LEU 69 Cb -0.38 -4.52 0.02 0.00 0.03 0.00 0.00 46.19 41.34 2hgk s LEU 69 CO 0.42 -0.57 1.23 -2.16 0.23 0.00 0.00 176.35 175.50 2hgk s PRO 70 N -3.87 3.63 0.00 1.29 0.05 -1.26 -4.90 135.00 129.94 2hgk s PRO 70 Ca 0.60 0.60 0.00 0.00 0.05 0.00 0.00 61.00 62.24 2hgk s PRO 70 Cb -0.10 -3.97 0.00 0.00 0.05 0.00 0.00 34.50 30.48 2hgk s PRO 70 CO 0.27 -1.51 0.47 0.41 0.05 0.00 0.00 177.00 176.69 2hgk n GLY 71 N 4.97 1.03 0.40 0.56 0.00 -1.26 -1.78 105.19 109.10 2hgk n GLY 71 Ca 0.13 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.15 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 0.02 1.91 -3.03 4.61 0.00 -1.26 -3.02 120.51 119.72 2hgk n ALA 72 Ca 0.00 -1.08 -0.44 0.00 0.00 0.00 0.00 53.44 51.92 2hgk n ALA 72 Cb 0.19 -0.43 -0.01 0.00 0.00 0.00 0.00 19.45 19.20 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 -0.25 3.48 -0.17 0.00 5.36 -0.73 -5.00 117.98 120.67 2hgk s PHE 73 Ca 0.03 -1.90 -0.07 0.00 -0.96 0.00 0.00 56.93 54.03 2hgk s PHE 73 Cb 0.02 -4.18 -0.04 0.00 -0.34 0.00 0.00 43.02 38.48 2hgk s PHE 73 CO 0.00 -1.33 0.07 0.00 -1.46 0.00 0.00 175.22 172.50 2hgk s ALA 74 N 1.49 3.46 0.00 11.12 0.00 -1.26 -4.85 121.76 131.73 2hgk s ALA 74 Ca 0.34 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.57 2hgk s ALA 74 Cb -0.05 -1.90 0.00 0.00 0.00 0.00 0.00 23.12 21.16 2hgk s ALA 74 CO -0.06 0.26 0.00 1.33 0.00 0.00 0.00 175.76 177.29 2hgk n VAL 75 N 3.26 0.00 -0.00 0.00 0.24 -1.26 -4.58 118.33 115.98 2hgk n VAL 75 Ca -0.17 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.01 2hgk n VAL 75 Cb 0.53 -0.90 -0.08 0.00 -1.47 0.00 0.00 33.84 31.92 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 0.00 0.05 0.00 2.33 0.00 -1.94 0.44 119.26 120.14 2hgk h ALA 76 Ca 0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 2hgk h ALA 76 Cb 0.98 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 2hgk h ALA 76 CO 0.00 -0.30 -0.02 -1.35 0.00 0.00 0.00 179.25 177.58 2hgk h PRO 77 N -0.21 0.00 -0.00 0.00 0.11 -1.98 -1.76 132.00 128.15 2hgk h PRO 77 Ca 0.01 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.09 2hgk h PRO 77 Cb 0.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.41 2hgk h PRO 77 CO 0.00 0.02 -0.11 -0.92 -0.21 0.00 0.00 178.00 176.78 2hgk h TYR 78 N 0.00 0.11 0.00 0.65 3.20 -1.67 -3.21 116.97 116.05 2hgk h TYR 78 Ca -0.00 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.81 2hgk h TYR 78 Cb 0.06 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.32 2hgk h TYR 78 CO 0.00 0.86 0.00 0.66 -1.64 0.00 0.00 178.16 178.04 2hgk n TYR 79 N -4.62 0.26 0.30 -3.82 4.01 0.09 -0.93 117.16 112.45 2hgk n TYR 79 Ca -0.10 0.10 0.18 0.00 -0.16 0.00 0.00 57.90 57.93 2hgk n TYR 79 Cb 0.44 -0.66 0.88 0.00 -0.31 0.00 0.00 39.34 39.69 2hgk n TYR 79 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 2hgk h GLU 80 N 0.00 0.00 0.00 -0.72 4.57 -1.33 -2.17 114.58 114.93 2hgk h GLU 80 Ca 0.00 0.00 -0.21 0.00 -1.18 0.00 0.00 59.36 57.97 2hgk h GLU 80 Cb 0.30 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.86 2hgk h GLU 80 CO 0.00 0.03 -1.71 -1.33 -1.18 0.00 0.00 179.01 174.82 2hgk n MET 81 N -3.19 0.27 -0.26 1.92 2.81 -0.31 -4.75 117.12 113.61 2hgk n MET 81 Ca -0.01 0.11 -0.05 0.00 -1.81 0.00 0.00 57.70 55.94 2hgk n MET 81 Cb 0.21 -0.97 0.09 0.00 -0.71 0.00 0.00 33.22 31.84 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 -0.42 1.07 -2.82 3.04 0.00 -1.11 -3.42 119.26 115.60 2hgk h ALA 82 Ca -0.32 -0.20 -0.57 0.00 0.00 0.00 0.00 54.91 53.81 2hgk h ALA 82 Cb 1.29 -0.29 -0.07 0.00 0.00 0.00 0.00 17.79 18.72 2hgk h ALA 82 CO -0.18 0.65 -0.07 -1.17 0.00 0.00 0.00 179.25 178.48 2hgk s LEU 83 N -9.63 4.33 0.25 0.00 2.96 -0.82 -4.86 118.68 110.91 2hgk s LEU 83 Ca -0.12 0.99 -0.31 0.00 -0.22 0.00 0.00 54.13 54.47 2hgk s LEU 83 Cb 0.16 -2.82 -0.14 0.00 0.50 0.00 0.00 46.19 43.89 2hgk s LEU 83 CO 0.83 0.02 1.30 0.00 -1.32 0.00 0.00 176.35 177.19 2hgk n ALA 84 N 3.34 0.69 0.59 5.97 0.00 -1.26 -4.78 120.51 125.06 2hgk n ALA 84 Ca -0.06 0.41 0.10 0.00 0.00 0.00 0.00 53.44 53.89 2hgk n ALA 84 Cb 0.51 -2.20 0.43 0.00 0.00 0.00 0.00 19.45 18.19 2hgk n ALA 84 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2hgk n THR 85 N 1.39 0.70 -2.67 0.00 -2.24 -1.26 -4.80 114.28 105.40 2hgk n THR 85 Ca 0.11 0.13 -0.22 0.00 -2.27 0.00 0.00 64.05 61.80 2hgk n THR 85 Cb 0.31 -0.89 0.03 0.00 -2.10 0.00 0.00 70.33 67.68 2hgk n THR 85 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2hgk s ASP 86 N -3.53 5.35 -0.00 3.42 2.15 -1.26 -4.90 116.67 117.89 2hgk s ASP 86 Ca 0.08 0.07 -0.01 0.00 0.43 0.00 0.00 52.55 53.12 2hgk s ASP 86 Cb 0.12 -1.00 0.00 0.00 -0.30 0.00 0.00 42.92 41.74 2hgk s ASP 86 CO 0.39 -1.09 0.01 1.57 -0.17 0.00 0.00 175.17 175.88 2hgk n HIS 87 N -2.33 -0.99 0.23 -5.34 -0.00 -1.26 -4.72 115.22 100.81 2hgk n HIS 87 Ca 0.07 0.59 0.17 0.00 0.46 0.00 0.00 57.72 59.00 2hgk n HIS 87 Cb 0.59 -2.31 0.85 0.00 -0.12 0.00 0.00 29.99 29.01 2hgk n HIS 87 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2hgk h PRO 88 N 0.88 0.00 0.00 1.57 0.13 -1.99 -1.01 132.00 131.58 2hgk h PRO 88 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 2hgk h PRO 88 Cb 0.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.19 2hgk h PRO 88 CO 0.00 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 178.81 2hgk n GLN 89 N -3.77 0.10 -0.35 0.86 6.02 -1.26 -2.05 117.38 116.92 2hgk n GLN 89 Ca 0.01 0.46 0.03 0.00 -0.01 0.00 0.00 57.00 57.49 2hgk n GLN 89 Cb 0.28 -1.74 0.17 0.00 1.02 0.00 0.00 30.24 29.97 2hgk n GLN 89 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 2hgk h ARG 90 N 0.00 1.08 -0.57 -1.09 2.43 -1.46 -2.10 114.38 112.66 2hgk h ARG 90 Ca 0.00 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.05 2hgk h ARG 90 Cb 0.16 -0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 29.44 2hgk h ARG 90 CO 0.00 0.71 0.14 0.00 -1.51 0.00 0.00 179.97 179.31 2hgk h ALA 91 N 1.45 1.17 -0.57 2.80 0.00 -1.66 0.58 119.26 123.03 2hgk h ALA 91 Ca 0.42 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 2hgk h ALA 91 Cb 0.20 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2hgk h ALA 91 CO -0.18 0.56 0.29 -0.07 0.00 0.00 0.00 179.25 179.85 2hgk h LEU 92 N 0.85 0.74 -0.25 0.00 3.38 -1.55 0.21 115.31 118.69 2hgk h LEU 92 Ca 0.18 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 2hgk h LEU 92 Cb 0.30 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2hgk h LEU 92 CO -0.00 0.65 -0.03 0.40 0.09 0.00 0.00 178.44 179.55 2hgk h ILE 93 N 0.78 1.27 -0.86 1.22 2.04 -1.05 -2.59 117.51 118.31 2hgk h ILE 93 Ca 0.20 -1.00 0.01 0.00 1.00 0.00 0.00 64.86 65.07 2hgk h ILE 93 Cb 0.10 1.43 -0.04 0.00 -0.74 0.00 0.00 36.82 37.56 2hgk h ILE 93 CO -0.03 0.31 0.57 -0.07 0.00 0.00 0.00 178.15 178.94 2hgk h LEU 94 N 0.22 0.99 -0.55 1.44 3.38 -0.63 0.15 115.31 120.31 2hgk h LEU 94 Ca 0.07 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.02 2hgk h LEU 94 Cb 0.48 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 2hgk h LEU 94 CO 0.02 0.71 0.35 0.00 0.09 0.00 0.00 178.44 179.62 2hgk h ALA 95 N 1.46 0.70 -0.06 1.53 0.00 -0.41 0.29 119.26 122.78 2hgk h ALA 95 Ca 0.32 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 55.04 2hgk h ALA 95 Cb -0.13 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 2hgk h ALA 95 CO -0.07 0.11 -0.66 0.93 0.00 0.00 0.00 179.25 179.56 2hgk h GLU 96 N 0.72 0.25 -0.47 0.00 4.39 -1.02 -2.60 114.58 115.84 2hgk h GLU 96 Ca 0.21 -0.19 -0.02 0.00 0.34 0.00 0.00 59.36 59.70 2hgk h GLU 96 Cb -0.05 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.61 2hgk h GLU 96 CO -0.06 0.82 0.20 -0.07 -1.16 0.00 0.00 179.01 178.73 2hgk h LEU 97 N 0.18 0.64 -1.17 1.33 3.38 -0.06 -2.69 115.31 116.92 2hgk h LEU 97 Ca -0.01 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 2hgk h LEU 97 Cb 1.18 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 2hgk h LEU 97 CO 0.10 0.63 0.04 -0.33 0.09 0.00 0.00 178.44 178.97 2hgk h GLU 98 N 0.62 0.62 0.00 1.13 5.08 -0.34 0.49 114.58 122.18 2hgk h GLU 98 Ca 0.16 -0.13 0.03 0.00 -1.00 0.00 0.00 59.36 58.42 2hgk h GLU 98 Cb 0.18 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.29 2hgk h GLU 98 CO -0.01 0.61 -0.27 0.87 -1.00 0.00 0.00 179.01 179.21 2hgk h LYS 99 N 0.60 -0.40 -0.47 2.33 1.57 -1.22 0.13 116.57 119.11 2hgk h LYS 99 Ca 0.13 0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.85 2hgk h LYS 99 Cb 0.31 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 2hgk h LYS 99 CO 0.01 -0.26 -0.03 1.25 -0.57 0.00 0.00 179.45 179.84 2hgk h LEU 100 N -0.41 0.84 -0.99 2.94 5.85 -1.10 -2.57 115.31 119.88 2hgk h LEU 100 Ca 0.06 -0.32 0.04 0.00 0.84 0.00 0.00 57.88 58.50 2hgk h LEU 100 Cb 0.50 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 41.24 2hgk h LEU 100 CO -0.23 0.97 0.65 -0.78 -0.34 0.00 0.00 178.44 178.70 2hgk h ASP 101 N 0.70 1.07 0.83 1.25 1.82 0.22 -0.20 116.42 122.11 2hgk h ASP 101 Ca 0.13 -0.01 -0.07 0.00 -0.39 0.00 0.00 57.03 56.69 2hgk h ASP 101 Cb 0.55 -0.24 -0.01 0.00 0.68 0.00 0.00 39.33 40.31 2hgk h ASP 101 CO 0.03 0.72 -0.34 0.00 -1.61 0.00 0.00 179.24 178.05 2hgk h ALA 102 N 1.41 1.02 -0.18 -0.78 0.00 -0.59 -2.95 119.26 117.19 2hgk h ALA 102 Ca 0.40 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 2hgk h ALA 102 Cb 0.03 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2hgk h ALA 102 CO -0.13 0.42 -0.42 -0.07 0.00 0.00 0.00 179.25 179.05 2hgk h LEU 103 N 0.00 0.46 -0.93 0.00 3.38 -0.63 -0.75 115.31 116.84 2hgk h LEU 103 Ca -0.00 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.76 2hgk h LEU 103 Cb 0.84 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.46 2hgk h LEU 103 CO 0.04 0.83 0.00 -0.26 0.09 0.00 0.00 178.44 179.14 2hgk h PHE 104 N 0.36 0.00 -0.02 1.13 0.04 -1.27 -1.11 116.94 116.07 2hgk h PHE 104 Ca 0.03 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.80 2hgk h PHE 104 Cb 0.89 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.04 2hgk h PHE 104 CO 0.03 0.00 -0.31 0.00 -0.60 0.00 0.00 178.31 177.43 2hgk n ALA 105 N -1.94 3.19 -0.02 2.45 0.00 -0.71 -4.23 120.51 119.25 2hgk n ALA 105 Ca 0.02 -0.56 -0.14 0.00 0.00 0.00 0.00 53.44 52.76 2hgk n ALA 105 Cb 0.30 -0.93 -0.14 0.00 0.00 0.00 0.00 19.45 18.68 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 -0.01 1.33 -4.86 0.00 2.03 -0.37 -4.92 116.55 109.76 2hgk n ASP 106 Ca 0.12 0.32 -0.30 0.00 0.52 0.00 0.00 54.79 55.44 2hgk n ASP 106 Cb 0.44 -0.34 0.06 0.00 -0.72 0.00 0.00 41.12 40.57 2hgk n ASP 106 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2hgk s ASP 107 N -6.43 5.13 0.04 1.67 2.15 -1.07 -5.05 116.67 113.11 2hgk s ASP 107 Ca -0.12 1.18 -0.12 0.00 0.43 0.00 0.00 52.55 53.92 2hgk s ASP 107 Cb 0.07 -1.96 -0.06 0.00 -0.30 0.00 0.00 42.92 40.68 2hgk s ASP 107 CO 0.80 -1.55 0.40 0.00 -0.17 0.00 0.00 175.17 174.65 2hgk s ALA 108 N -3.30 3.71 0.05 3.66 0.00 -1.26 -4.99 121.76 119.64 2hgk s ALA 108 Ca 0.59 -0.31 0.01 0.00 0.00 0.00 0.00 51.96 52.25 2hgk s ALA 108 Cb -0.12 -2.32 -0.00 0.00 0.00 0.00 0.00 23.12 20.67 2hgk s ALA 108 CO 0.52 0.52 0.04 0.43 0.00 0.00 0.00 175.76 177.28 2hgk n SER 109 N 1.37 -0.12 -4.90 0.00 7.64 -1.26 -4.81 113.62 111.54 2hgk n SER 109 Ca -0.11 -1.31 -0.28 0.00 1.01 0.00 0.00 58.87 58.18 2hgk n SER 109 Cb 0.52 0.26 0.00 0.00 -1.01 0.00 0.00 64.21 63.99 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 0.00 3.53 0.40 -3.43 1.43 -1.26 -4.98 118.68 114.37 2hgk s LEU 110 Ca 0.06 0.96 0.10 0.00 -1.03 0.00 0.00 54.13 54.21 2hgk s LEU 110 Cb 0.00 -3.91 0.82 0.00 0.03 0.00 0.00 46.19 43.13 2hgk s LEU 110 CO 0.04 -0.67 1.94 -0.33 0.23 0.00 0.00 176.35 177.56 2hgk h GLU 111 N 0.11 0.25 0.00 1.70 5.08 -2.03 -2.54 114.58 117.14 2hgk h GLU 111 Ca -0.46 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 2hgk h GLU 111 Cb 1.21 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2hgk h GLU 111 CO 0.62 0.35 0.00 1.58 -1.00 0.00 0.00 179.01 180.56 2hgk n HIS 112 N -4.31 0.00 -3.76 4.33 -0.00 -1.26 -4.36 115.22 105.86 2hgk n HIS 112 Ca -0.01 0.00 -0.29 0.00 0.46 0.00 0.00 57.72 57.89 2hgk n HIS 112 Cb 0.24 -0.18 -0.16 0.00 -0.12 0.00 0.00 29.99 29.77 2hgk n HIS 112 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2hgk s HIS 113 N -2.36 1.41 0.40 1.57 3.76 -0.96 -5.13 115.29 113.98 2hgk s HIS 113 Ca 0.25 -1.23 -0.15 0.00 -0.15 0.00 0.00 55.06 53.79 2hgk s HIS 113 Cb 0.15 -1.29 -0.08 0.00 1.11 0.00 0.00 32.58 32.47 2hgk s HIS 113 CO 0.30 -0.71 0.82 -1.01 -0.85 0.00 0.00 174.74 173.30 2hgk s HIS 114 N 1.73 3.41 -2.31 1.40 0.09 -1.26 -4.58 115.29 113.76 2hgk s HIS 114 Ca 0.01 1.26 0.24 0.00 -0.00 0.00 0.00 55.06 56.58 2hgk s HIS 114 Cb -0.17 -2.60 1.01 0.00 -0.00 0.00 0.00 32.58 30.82 2hgk s HIS 114 CO -0.13 -0.09 1.70 0.72 -0.00 0.00 0.00 174.74 176.95 2hgk n HIS 115 N -0.94 0.09 -4.02 1.40 8.25 -1.17 -4.36 115.22 114.49 2hgk n HIS 115 Ca 0.04 -0.05 -0.10 0.00 -0.26 0.00 0.00 57.72 57.36 2hgk n HIS 115 Cb 0.54 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.57 2hgk n HIS 115 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2hgk s HIS 116 N -1.91 0.54 0.00 4.41 3.76 -1.26 -4.83 115.29 115.99 2hgk s HIS 116 Ca 0.35 -0.90 0.00 0.00 -0.15 0.00 0.00 55.06 54.37 2hgk s HIS 116 Cb 0.19 -0.17 0.00 0.00 1.11 0.00 0.00 32.58 33.71 2hgk s HIS 116 CO 0.30 -0.67 0.00 1.58 -0.85 0.00 0.00 174.74 175.09