#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 1.74 0.14 2.03 -4.23 -1.26 -4.66 115.64 109.40 2hgk s THR 2 Ca 0.00 0.00 -0.26 0.00 -1.18 0.00 0.00 61.69 60.25 2hgk s THR 2 Cb 0.00 -2.65 -0.02 0.00 1.34 0.00 0.00 72.50 71.17 2hgk s THR 2 CO 0.00 0.00 1.60 0.74 -0.54 0.00 0.00 174.62 176.42 2hgk h THR 3 N -2.26 0.26 -0.42 3.99 2.02 -1.95 -1.23 112.91 113.32 2hgk h THR 3 Ca -0.45 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.71 2hgk h THR 3 Cb 1.28 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 67.92 2hgk h THR 3 CO 0.36 0.00 0.17 0.45 0.37 0.00 0.00 175.52 176.87 2hgk h HIS 4 N -0.40 0.60 -0.15 3.16 -0.00 -1.92 -1.67 115.15 114.77 2hgk h HIS 4 Ca 0.10 -0.02 -0.13 0.00 -0.00 0.00 0.00 60.37 60.32 2hgk h HIS 4 Cb 0.56 -0.19 -0.01 0.00 -0.00 0.00 0.00 27.41 27.77 2hgk h HIS 4 CO -0.43 0.47 -0.47 -0.44 -0.00 0.00 0.00 177.93 177.06 2hgk h ASP 5 N 0.60 0.42 -0.30 2.45 5.19 -1.67 0.15 116.42 123.25 2hgk h ASP 5 Ca 0.15 -0.20 -0.13 0.00 -0.62 0.00 0.00 57.03 56.22 2hgk h ASP 5 Cb 0.12 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 2hgk h ASP 5 CO -0.01 0.83 -0.30 0.03 -3.12 0.00 0.00 179.24 176.67 2hgk h ARG 6 N 0.31 0.82 -0.41 3.56 3.08 -0.39 -2.12 114.38 119.24 2hgk h ARG 6 Ca 0.02 -0.38 -0.10 0.00 0.07 0.00 0.00 59.98 59.59 2hgk h ARG 6 Cb 0.95 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.97 2hgk h ARG 6 CO 0.08 1.01 -0.16 0.28 -1.07 0.00 0.00 179.97 180.11 2hgk h VAL 7 N 0.69 1.26 -0.43 2.04 2.07 -0.93 -2.48 116.25 118.49 2hgk h VAL 7 Ca 0.08 -1.24 0.08 0.00 0.82 0.00 0.00 66.70 66.44 2hgk h VAL 7 Cb 0.85 1.12 -0.07 0.00 -1.52 0.00 0.00 31.29 31.67 2hgk h VAL 7 CO 0.07 0.42 -0.01 -0.09 0.02 0.00 0.00 177.57 177.98 2hgk h ARG 8 N 0.68 0.09 -0.86 1.57 9.65 -0.45 0.73 114.38 125.79 2hgk h ARG 8 Ca 0.11 -0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 58.96 2hgk h ARG 8 Cb 0.65 -0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 29.17 2hgk h ARG 8 CO 0.05 0.06 0.47 -0.07 2.80 0.00 0.00 179.97 183.28 2hgk h LEU 9 N 0.10 1.08 -0.55 3.80 3.38 -1.11 -2.31 115.31 119.69 2hgk h LEU 9 Ca 0.21 -0.10 -0.14 0.00 0.09 0.00 0.00 57.88 57.94 2hgk h LEU 9 Cb 0.31 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2hgk h LEU 9 CO -0.36 0.87 -0.37 1.56 0.09 0.00 0.00 178.44 180.23 2hgk h GLN 10 N 1.21 0.76 -0.66 1.13 1.08 -0.92 -0.90 115.11 116.80 2hgk h GLN 10 Ca 0.30 -0.38 -0.03 0.00 -1.45 0.00 0.00 58.65 57.09 2hgk h GLN 10 Cb 0.03 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.43 2hgk h GLN 10 CO -0.05 1.00 0.28 -0.07 -0.95 0.00 0.00 178.83 179.04 2hgk h LEU 11 N 0.63 0.88 -0.71 1.46 3.38 -0.61 0.41 115.31 120.74 2hgk h LEU 11 Ca 0.06 -0.11 -0.13 0.00 0.09 0.00 0.00 57.88 57.78 2hgk h LEU 11 Cb 0.91 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 2hgk h LEU 11 CO 0.08 0.77 -0.49 1.56 0.09 0.00 0.00 178.44 180.46 2hgk h GLN 12 N 0.95 0.38 -0.28 1.13 4.20 -1.14 0.62 115.11 120.97 2hgk h GLN 12 Ca 0.23 -0.22 -0.12 0.00 0.06 0.00 0.00 58.65 58.60 2hgk h GLN 12 Cb 0.16 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.95 2hgk h GLN 12 CO -0.02 0.79 -0.31 0.00 -0.67 0.00 0.00 178.83 178.62 2hgk h ALA 13 N 1.18 0.42 -0.64 3.87 0.00 -0.47 -1.24 119.26 122.37 2hgk h ALA 13 Ca 0.01 -0.41 -0.08 0.00 0.00 0.00 0.00 54.91 54.44 2hgk h ALA 13 Cb 0.97 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 2hgk h ALA 13 CO 0.08 0.45 0.10 1.25 0.00 0.00 0.00 179.25 181.13 2hgk h LEU 14 N 0.44 1.01 -0.81 0.00 5.85 -0.10 0.55 115.31 122.26 2hgk h LEU 14 Ca 0.04 -0.26 0.01 0.00 0.84 0.00 0.00 57.88 58.51 2hgk h LEU 14 Cb 0.88 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.60 2hgk h LEU 14 CO 0.07 1.02 0.53 -0.08 -0.34 0.00 0.00 178.44 179.64 2hgk h GLU 15 N 0.97 1.07 -0.35 1.25 4.81 -0.82 -2.18 114.58 119.33 2hgk h GLU 15 Ca 0.19 -0.07 -0.10 0.00 -0.13 0.00 0.00 59.36 59.25 2hgk h GLU 15 Cb 0.44 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 2hgk h GLU 15 CO 0.01 0.72 -0.19 0.00 -0.73 0.00 0.00 179.01 178.82 2hgk h ALA 16 N 1.29 1.01 -0.89 2.92 0.00 -0.80 -1.83 119.26 120.96 2hgk h ALA 16 Ca 0.29 -0.34 0.07 0.00 0.00 0.00 0.00 54.91 54.94 2hgk h ALA 16 Cb -0.11 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 17.47 2hgk h ALA 16 CO -0.06 0.59 0.56 1.25 0.00 0.00 0.00 179.25 181.58 2hgk h LEU 17 N 0.59 0.87 -0.22 0.00 6.46 -0.27 0.42 115.31 123.15 2hgk h LEU 17 Ca 0.09 0.02 -0.08 0.00 -0.12 0.00 0.00 57.88 57.79 2hgk h LEU 17 Cb 0.65 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.41 2hgk h LEU 17 CO 0.05 0.54 -0.38 -0.07 -0.62 0.00 0.00 178.44 177.95 2hgk h LEU 18 N 0.99 0.00 0.03 2.25 3.38 -1.26 -2.70 115.31 118.01 2hgk h LEU 18 Ca 0.40 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.37 2hgk h LEU 18 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2hgk h LEU 18 CO -0.19 0.38 -0.02 -0.09 0.09 0.00 0.00 178.44 178.62 2hgk h ARG 19 N 0.00 -0.04 -0.37 1.13 2.43 -0.25 -0.09 114.38 117.19 2hgk h ARG 19 Ca -0.00 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.07 2hgk h ARG 19 Cb 1.21 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.75 2hgk h ARG 19 CO 0.05 0.63 -0.17 0.93 -1.51 0.00 0.00 179.97 179.90 2hgk h GLU 20 N -0.82 0.68 -0.03 0.20 4.39 -0.32 -1.40 114.58 117.28 2hgk h GLU 20 Ca -0.00 -0.24 0.00 0.00 0.34 0.00 0.00 59.36 59.46 2hgk h GLU 20 Cb 0.70 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 2hgk h GLU 20 CO 0.01 0.81 0.00 0.72 -1.16 0.00 0.00 179.01 179.39 2hgk n HIS 21 N -4.15 0.02 -3.75 4.33 8.25 -1.02 -4.94 115.22 113.97 2hgk n HIS 21 Ca 0.01 -0.01 -0.27 0.00 -0.26 0.00 0.00 57.72 57.18 2hgk n HIS 21 Cb 0.39 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.52 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 -0.29 -2.58 -0.85 -0.41 6.02 -0.53 -4.90 117.38 113.84 2hgk n GLN 22 Ca 0.20 0.49 0.05 0.00 -0.01 0.00 0.00 57.00 57.73 2hgk n GLN 22 Cb 0.25 -4.51 0.11 0.00 1.02 0.00 0.00 30.24 27.10 2hgk n GLN 22 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2hgk n HIS 23 N -4.23 0.00 -2.95 1.08 8.25 -0.09 -5.01 115.22 112.27 2hgk n HIS 23 Ca -0.20 -0.89 -0.42 0.00 -0.26 0.00 0.00 57.72 55.95 2hgk n HIS 23 Cb 0.64 -0.18 -0.05 0.00 1.12 0.00 0.00 29.99 31.52 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 -1.62 3.09 0.18 4.41 -0.11 -1.20 -5.00 118.94 118.68 2hgk s TRP 24 Ca 0.31 0.50 -0.07 0.00 1.22 0.00 0.00 56.10 58.05 2hgk s TRP 24 Cb 0.32 -3.47 -0.06 0.00 -1.50 0.00 0.00 33.47 28.76 2hgk s TRP 24 CO -0.09 -0.79 0.45 1.03 -4.62 0.00 0.00 176.95 172.94 2hgk s ARG 25 N 3.16 3.71 -0.24 5.86 0.52 -1.26 -5.08 118.95 125.62 2hgk s ARG 25 Ca 0.31 0.09 -0.02 0.00 -0.52 0.00 0.00 55.73 55.59 2hgk s ARG 25 Cb -0.13 -2.77 0.12 0.00 0.52 0.00 0.00 34.95 32.68 2hgk s ARG 25 CO 0.18 0.41 0.28 1.21 0.02 0.00 0.00 175.30 177.40 2hgk s ASN 26 N -2.34 1.30 0.00 0.23 2.47 -1.26 -4.87 114.94 110.46 2hgk s ASN 26 Ca 0.43 -0.34 0.27 0.00 0.42 0.00 0.00 52.86 53.64 2hgk s ASN 26 Cb -0.12 0.56 0.87 0.00 -1.45 0.00 0.00 41.25 41.11 2hgk s ASN 26 CO 0.23 -0.35 1.64 -0.67 -3.72 0.00 0.00 177.10 174.23 2hgk n ASP 27 N 5.32 0.87 -3.02 -4.21 2.03 -1.26 -4.96 116.55 111.32 2hgk n ASP 27 Ca -0.04 -0.78 -0.01 0.00 0.52 0.00 0.00 54.79 54.47 2hgk n ASP 27 Cb 0.48 0.08 0.00 0.00 -0.72 0.00 0.00 41.12 40.97 2hgk n ASP 27 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2hgk n GLU 28 N -0.75 -1.48 -1.70 -0.67 -0.58 -1.26 -4.89 120.64 109.31 2hgk n GLU 28 Ca 0.12 1.60 -0.44 0.00 -0.42 0.00 0.00 57.16 58.02 2hgk n GLU 28 Cb 0.33 -5.75 -0.03 0.00 -0.57 0.00 0.00 31.44 25.42 2hgk n GLU 28 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 2hgk n PRO 29 N -1.54 2.40 -2.99 3.49 -0.02 -1.26 -5.00 135.00 130.09 2hgk n PRO 29 Ca 0.02 0.86 -0.32 0.00 -2.02 0.00 0.00 63.50 62.04 2hgk n PRO 29 Cb 0.49 -2.64 -0.06 0.00 -0.02 0.00 0.00 33.50 31.28 2hgk n PRO 29 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2hgk s GLN 30 N 0.50 4.05 0.57 -0.52 -1.52 -1.26 -4.96 119.66 116.52 2hgk s GLN 30 Ca 0.73 0.80 0.28 0.00 -1.95 0.00 0.00 55.36 55.23 2hgk s GLN 30 Cb -0.59 -2.34 1.49 0.00 -0.22 0.00 0.00 33.01 31.35 2hgk s GLN 30 CO 0.40 0.06 1.94 -1.00 -0.25 0.00 0.00 175.29 176.45 2hgk h PRO 31 N 2.01 0.00 -1.00 2.91 0.13 -2.01 0.04 132.00 134.09 2hgk h PRO 31 Ca -0.48 0.00 0.20 0.00 -0.87 0.00 0.00 66.00 64.85 2hgk h PRO 31 Cb 1.18 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.20 2hgk h PRO 31 CO 0.64 0.00 0.61 1.25 -0.23 0.00 0.00 178.00 180.27 2hgk h HIS 32 N 0.00 0.97 0.00 1.56 -0.00 -1.97 0.25 115.15 115.96 2hgk h HIS 32 Ca 0.23 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.63 2hgk h HIS 32 Cb 1.12 -0.29 0.00 0.00 -0.00 0.00 0.00 27.41 28.24 2hgk h HIS 32 CO 0.00 0.19 0.00 1.96 -0.00 0.00 0.00 177.93 180.08 2hgk h GLN 33 N 0.67 0.00 0.00 5.26 4.20 -1.35 -3.01 115.11 120.88 2hgk h GLN 33 Ca 0.58 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.94 2hgk h GLN 33 Cb 1.02 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.74 2hgk h GLN 33 CO -0.36 0.00 -2.30 1.19 -0.67 0.00 0.00 178.83 176.69 2hgk n PHE 34 N -2.54 0.00 0.69 2.96 3.72 -0.31 -4.39 117.46 117.59 2hgk n PHE 34 Ca 0.04 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.53 2hgk n PHE 34 Cb 0.38 -0.90 0.41 0.00 -0.94 0.00 0.00 39.48 38.44 2hgk n PHE 34 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2hgk n ASN 35 N -3.01 0.00 -0.20 4.37 3.02 0.72 -1.23 115.26 118.93 2hgk n ASN 35 Ca -0.37 0.42 -0.09 0.00 -0.03 0.00 0.00 54.58 54.51 2hgk n ASN 35 Cb 0.99 -0.47 0.02 0.00 -0.61 0.00 0.00 39.78 39.71 2hgk n ASN 35 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 2hgk h SER 36 N 0.00 0.95 -5.16 6.41 4.64 -1.73 -3.49 113.55 115.17 2hgk h SER 36 Ca 0.00 -0.28 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 2hgk h SER 36 Cb 0.30 -0.25 -0.00 0.00 -0.31 0.00 0.00 62.40 62.13 2hgk h SER 36 CO 0.00 0.99 -1.00 0.41 -0.87 0.00 0.00 176.83 176.36 2hgk n THR 37 N -4.28-11.95 -3.71 2.95 -1.04 -0.36 -5.08 114.28 90.81 2hgk n THR 37 Ca 0.03 1.85 -0.14 0.00 -2.04 0.00 0.00 64.05 63.74 2hgk n THR 37 Cb 0.30 -6.89 -0.08 0.00 -1.82 0.00 0.00 70.33 61.84 2hgk n THR 37 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 2hgk s GLN 38 N -1.62 0.71 -0.10 -2.82 0.74 -1.26 -5.04 119.66 110.26 2hgk s GLN 38 Ca -0.00 0.08 -0.35 0.00 0.05 0.00 0.00 55.36 55.14 2hgk s GLN 38 Cb 0.00 0.32 -0.12 0.00 1.10 0.00 0.00 33.01 34.31 2hgk s GLN 38 CO 0.78 -0.18 1.85 -2.30 -0.55 0.00 0.00 175.29 174.88 2hgk n PRO 39 N 1.56 2.06 -0.77 1.67 -0.02 -1.26 -0.50 135.00 137.75 2hgk n PRO 39 Ca -0.19 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 2hgk n PRO 39 Cb 0.56 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 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 6.33 0.00 -3.84 6.00 3.72 -1.26 -2.98 117.46 125.43 2hgk n PHE 40 Ca 0.23 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.38 2hgk n PHE 40 Cb 0.28 -1.12 0.01 0.00 -0.94 0.00 0.00 39.48 37.71 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 -2.10 -1.91 0.16 1.38 3.72 0.35 -4.46 117.46 114.60 2hgk n PHE 41 Ca 0.00 0.83 0.00 0.00 -0.05 0.00 0.00 57.45 58.23 2hgk n PHE 41 Cb 0.10 -4.06 0.00 0.00 -0.94 0.00 0.00 39.48 34.58 2hgk n PHE 41 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 2hgk n MET 42 N -4.40 0.64 0.00 -1.08 2.81 -1.16 -0.92 117.12 113.02 2hgk n MET 42 Ca -0.21 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.68 2hgk n MET 42 Cb 0.64 -1.18 0.00 0.00 -0.71 0.00 0.00 33.22 31.97 2hgk n MET 42 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 2hgk n ASP 43 N 1.18 0.00 0.01 7.83 8.00 -1.26 -4.93 116.55 127.38 2hgk n ASP 43 Ca 0.00 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.28 2hgk n ASP 43 Cb 0.32 0.12 -0.14 0.00 -0.02 0.00 0.00 41.12 41.40 2hgk n ASP 43 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 2hgk h THR 44 N 0.00 0.94 -5.24 -3.53 1.35 -1.82 -3.48 112.91 101.12 2hgk h THR 44 Ca 0.00 -2.40 -0.44 0.00 -0.55 0.00 0.00 66.41 63.02 2hgk h THR 44 Cb 0.00 2.66 -0.05 0.00 -1.73 0.00 0.00 68.15 69.03 2hgk h THR 44 CO 0.00 0.74 -0.24 0.23 -0.25 0.00 0.00 175.52 176.00 2hgk n MET 45 N -3.82 0.93 -4.22 4.72 2.81 -0.10 -4.97 117.12 112.48 2hgk n MET 45 Ca -0.27 -2.60 -0.26 0.00 -1.81 0.00 0.00 57.70 52.76 2hgk n MET 45 Cb 0.94 0.38 -0.08 0.00 -0.71 0.00 0.00 33.22 33.76 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 2.37 0.57 0.03 0.41 -1.26 -4.37 118.70 112.84 2hgk s GLU 46 Ca 0.18 -1.15 0.29 0.00 -0.41 0.00 0.00 54.97 53.87 2hgk s GLU 46 Cb -0.01 -2.32 1.71 0.00 -1.78 0.00 0.00 34.13 31.73 2hgk s GLU 46 CO 0.11 0.44 2.21 -1.35 -0.49 0.00 0.00 175.26 176.18 2hgk h PRO 47 N 2.62 0.00 0.00 0.39 0.11 -1.89 -2.93 132.00 130.29 2hgk h PRO 47 Ca -0.47 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 2hgk h PRO 47 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2hgk h PRO 47 CO 0.58 0.03 -0.00 -0.07 -0.21 0.00 0.00 178.00 178.33 2hgk h LEU 48 N 0.00 -0.00 -0.16 2.35 3.38 -1.92 -3.21 115.31 115.74 2hgk h LEU 48 Ca -0.00 -0.87 0.00 0.00 0.09 0.00 0.00 57.88 57.10 2hgk h LEU 48 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2hgk h LEU 48 CO 0.00 0.87 0.00 -1.84 0.09 0.00 0.00 178.44 177.57 2hgk n GLU 49 N -4.67 0.94 0.06 1.13 0.00 -1.15 -2.31 120.64 114.64 2hgk n GLU 49 Ca -0.10 0.00 -0.12 0.00 0.00 0.00 0.00 57.16 56.95 2hgk n GLU 49 Cb 0.42 -1.08 -0.01 0.00 0.00 0.00 0.00 31.44 30.77 2hgk n GLU 49 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.13 179.48 2hgk h TRP 50 N 0.01 0.56 -0.26 -1.84 7.01 -1.52 -3.23 115.95 116.69 2hgk h TRP 50 Ca 0.00 -0.28 -0.11 0.00 2.11 0.00 0.00 58.89 60.60 2hgk h TRP 50 Cb 0.08 -0.07 -0.01 0.00 -2.10 0.00 0.00 29.16 27.05 2hgk h TRP 50 CO 0.00 1.08 -0.31 1.25 -2.79 0.00 0.00 178.44 177.66 2hgk h LEU 51 N 0.24 0.56 -9.94 0.65 5.85 -1.64 -1.39 115.31 109.65 2hgk h LEU 51 Ca -0.06 -0.22 -0.54 0.00 0.84 0.00 0.00 57.88 57.91 2hgk h LEU 51 Cb 1.46 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 42.30 2hgk h LEU 51 CO 0.14 0.85 -0.09 -1.10 -0.34 0.00 0.00 178.44 177.90 2hgk s GLN 52 N -4.40 3.87 0.00 1.25 -0.21 -1.22 -1.97 119.66 116.98 2hgk s GLN 52 Ca -0.07 0.37 0.00 0.00 0.02 0.00 0.00 55.36 55.68 2hgk s GLN 52 Cb 0.13 -2.70 0.00 0.00 1.00 0.00 0.00 33.01 31.44 2hgk s GLN 52 CO 0.81 0.35 0.00 1.87 -2.12 0.00 0.00 175.29 176.20 2hgk n TRP 53 N 0.10 0.00 0.00 0.91 -0.00 -1.26 -4.32 117.44 112.86 2hgk n TRP 53 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.49 2hgk n TRP 53 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.83 2hgk n TRP 53 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 2hgk n VAL 54 N 0.00 0.00 0.03 5.87 0.31 -1.25 -4.52 118.33 118.76 2hgk n VAL 54 Ca 0.00 0.38 -0.05 0.00 -0.01 0.00 0.00 64.34 64.66 2hgk n VAL 54 Cb 0.00 -1.32 -0.03 0.00 -0.91 0.00 0.00 33.84 31.58 2hgk n VAL 54 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 2hgk h LEU 55 N 0.00 -0.50 -0.16 7.52 7.12 -1.19 0.16 115.31 128.27 2hgk h LEU 55 Ca 0.00 0.05 0.05 0.00 0.13 0.00 0.00 57.88 58.11 2hgk h LEU 55 Cb 0.00 0.19 -0.05 0.00 -0.53 0.00 0.00 40.66 40.27 2hgk h LEU 55 CO 0.00 -0.16 -0.16 0.40 -0.13 0.00 0.00 178.44 178.39 2hgk h ILE 56 N -0.22 0.58 -0.64 4.05 2.04 -1.68 0.46 117.51 122.10 2hgk h ILE 56 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.86 2hgk h ILE 56 Cb 0.23 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 2hgk h ILE 56 CO -0.10 0.00 0.38 -0.65 0.00 0.00 0.00 178.15 177.78 2hgk h PRO 57 N -0.18 0.87 -0.66 2.37 0.11 -1.77 -2.48 132.00 130.26 2hgk h PRO 57 Ca 0.10 -0.08 -0.06 0.00 0.11 0.00 0.00 66.00 66.07 2hgk h PRO 57 Cb 0.34 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 31.24 2hgk h PRO 57 CO -0.26 0.63 0.16 -0.09 -0.21 0.00 0.00 178.00 178.22 2hgk h ARG 58 N 0.87 1.04 0.00 1.05 2.43 0.15 -1.82 114.38 118.10 2hgk h ARG 58 Ca 0.23 -0.24 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2hgk h ARG 58 Cb -0.01 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.40 2hgk h ARG 58 CO -0.04 0.93 0.00 0.52 -1.51 0.00 0.00 179.97 179.86 2hgk h MET 59 N 0.99 0.00 -0.41 0.20 2.86 0.08 -1.98 114.93 116.67 2hgk h MET 59 Ca 0.21 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.73 2hgk h MET 59 Cb 0.36 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 2hgk h MET 59 CO 0.00 0.00 -0.24 0.45 1.06 0.00 0.00 176.91 178.19 2hgk h HIS 60 N 0.00 0.97 -0.40 -0.22 3.86 -0.86 -1.49 115.15 117.01 2hgk h HIS 60 Ca 0.00 -0.23 -0.00 0.00 -1.16 0.00 0.00 60.37 58.98 2hgk h HIS 60 Cb 0.43 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.65 2hgk h HIS 60 CO 0.00 0.99 0.24 -0.44 0.86 0.00 0.00 177.93 179.59 2hgk h ASP 61 N 0.73 0.47 0.28 2.45 3.32 -1.36 0.49 116.42 122.79 2hgk h ASP 61 Ca 0.10 -0.02 -0.17 0.00 0.02 0.00 0.00 57.03 56.95 2hgk h ASP 61 Cb 0.77 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.20 2hgk h ASP 61 CO 0.06 0.37 -0.69 0.25 -1.72 0.00 0.00 179.24 177.51 2hgk h LEU 62 N 0.55 0.43 0.00 1.55 5.85 -1.42 -3.17 115.31 119.10 2hgk h LEU 62 Ca 0.15 -0.27 -0.19 0.00 0.84 0.00 0.00 57.88 58.40 2hgk h LEU 62 Cb -0.02 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 2hgk h LEU 62 CO -0.03 0.99 -1.23 0.18 -0.34 0.00 0.00 178.44 178.02 2hgk n LEU 63 N -3.85 1.86 -0.27 2.25 4.77 -0.60 -0.68 117.00 120.49 2hgk n LEU 63 Ca -0.04 0.46 -0.05 0.00 -0.03 0.00 0.00 56.01 56.36 2hgk n LEU 63 Cb 0.68 -0.91 0.09 0.00 -2.33 0.00 0.00 43.42 40.96 2hgk n LEU 63 CO 0.47 0.08 1.06 0.44 -1.33 0.00 0.00 177.39 178.11 2hgk h ASP 64 N -1.00 1.05 0.34 -1.43 3.32 -0.23 0.13 116.42 118.61 2hgk h ASP 64 Ca -0.28 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.61 2hgk h ASP 64 Cb 1.11 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.39 2hgk h ASP 64 CO -0.17 0.93 -0.04 0.59 -1.72 0.00 0.00 179.24 178.83 2hgk n ASN 65 N -4.28 0.23 -3.30 6.45 3.02 -1.20 -4.95 115.26 111.23 2hgk n ASN 65 Ca 0.07 -0.54 -0.10 0.00 -0.03 0.00 0.00 54.58 53.98 2hgk n ASN 65 Cb 0.18 -0.13 0.00 0.00 -0.61 0.00 0.00 39.78 39.22 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 -1.05 -1.50 -4.01 3.52 5.02 0.46 -5.02 118.16 115.59 2hgk n LYS 66 Ca 0.17 1.31 -0.22 0.00 -2.02 0.00 0.00 58.31 57.55 2hgk n LYS 66 Cb 0.23 -4.49 -0.03 0.00 -0.02 0.00 0.00 35.03 30.72 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 -3.57 3.30 -0.06 1.97 -1.52 0.15 -5.02 119.66 114.92 2hgk s GLN 67 Ca 0.04 -0.83 -0.33 0.00 -1.95 0.00 0.00 55.36 52.29 2hgk s GLN 67 Cb -0.01 -2.81 -0.11 0.00 -0.22 0.00 0.00 33.01 29.87 2hgk s GLN 67 CO 0.80 0.43 1.93 -2.30 -0.25 0.00 0.00 175.29 175.90 2hgk n PRO 68 N -1.30 2.38 -2.26 2.91 -0.02 -1.26 -4.85 135.00 130.60 2hgk n PRO 68 Ca -0.09 0.87 -0.40 0.00 -2.02 0.00 0.00 63.50 61.86 2hgk n PRO 68 Cb 0.57 -2.78 -0.03 0.00 -0.02 0.00 0.00 33.50 31.24 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 4.42 4.46 0.36 2.45 1.43 -1.26 -4.91 118.68 125.62 2hgk s LEU 69 Ca 0.92 2.52 0.14 0.00 -1.03 0.00 0.00 54.13 56.67 2hgk s LEU 69 Cb -0.60 -3.66 0.97 0.00 0.03 0.00 0.00 46.19 42.92 2hgk s LEU 69 CO 0.48 -0.40 1.78 -0.65 0.23 0.00 0.00 176.35 177.79 2hgk h PRO 70 N 3.49 0.51 0.00 1.29 0.11 -1.91 -3.45 132.00 132.04 2hgk h PRO 70 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2hgk h PRO 70 Cb 1.22 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2hgk h PRO 70 CO 0.66 0.34 0.00 0.41 -0.21 0.00 0.00 178.00 179.20 2hgk n GLY 71 N -1.42 0.75 2.97 -0.55 0.00 -1.22 -4.94 105.19 100.78 2hgk n GLY 71 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 2hgk n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hgk s ALA 72 N -2.64 -3.21 -0.22 4.61 0.00 -1.26 -4.30 121.76 114.74 2hgk s ALA 72 Ca 0.00 0.54 0.11 0.00 0.00 0.00 0.00 51.96 52.61 2hgk s ALA 72 Cb 0.00 -2.85 0.43 0.00 0.00 0.00 0.00 23.12 20.70 2hgk s ALA 72 CO 0.00 -2.34 1.27 0.34 0.00 0.00 0.00 175.76 175.03 2hgk n PHE 73 N 3.86 0.24 -1.82 0.00 7.35 -1.26 -4.93 117.46 120.89 2hgk n PHE 73 Ca 0.10 -1.46 -0.36 0.00 -0.76 0.00 0.00 57.45 54.97 2hgk n PHE 73 Cb 0.60 -0.29 -0.05 0.00 0.35 0.00 0.00 39.48 40.09 2hgk n PHE 73 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2hgk n ALA 74 N -1.14 2.73 1.11 3.13 0.00 -1.26 -4.58 120.51 120.49 2hgk n ALA 74 Ca 0.22 -3.27 0.09 0.00 0.00 0.00 0.00 53.44 50.48 2hgk n ALA 74 Cb 0.76 -3.55 0.32 0.00 0.00 0.00 0.00 19.45 16.98 2hgk n ALA 74 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2hgk n VAL 75 N 6.90 0.29 -0.17 0.00 0.24 -1.26 -4.29 118.33 120.04 2hgk n VAL 75 Ca 0.47 -0.39 -0.08 0.00 -2.04 0.00 0.00 64.34 62.30 2hgk n VAL 75 Cb 0.44 0.35 0.01 0.00 -1.47 0.00 0.00 33.84 33.18 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 3.97 0.62 -0.70 2.33 0.00 -1.91 0.20 119.26 123.77 2hgk h ALA 76 Ca 0.00 -0.10 0.13 0.00 0.00 0.00 0.00 54.91 54.94 2hgk h ALA 76 Cb 0.50 -0.19 -0.09 0.00 0.00 0.00 0.00 17.79 18.00 2hgk h ALA 76 CO 0.00 0.16 0.24 -1.35 0.00 0.00 0.00 179.25 178.30 2hgk h PRO 77 N 0.64 0.37 -0.46 0.00 0.11 -1.99 0.43 132.00 131.10 2hgk h PRO 77 Ca 0.17 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 66.17 2hgk h PRO 77 Cb 0.07 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 2hgk h PRO 77 CO -0.03 0.24 -0.05 -0.92 -0.21 0.00 0.00 178.00 177.03 2hgk h TYR 78 N 0.38 0.94 0.00 0.65 3.20 -1.76 -3.00 116.97 117.38 2hgk h TYR 78 Ca 0.38 -0.18 -0.04 0.00 3.14 0.00 0.00 58.73 62.02 2hgk h TYR 78 Cb 0.56 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 2hgk h TYR 78 CO -0.20 0.92 -0.20 1.88 -1.64 0.00 0.00 178.16 178.92 2hgk h TYR 79 N 0.69 0.00 -0.89 -3.82 -1.99 0.56 -0.58 116.97 110.93 2hgk h TYR 79 Ca 0.12 0.00 0.06 0.00 2.00 0.00 0.00 58.73 60.91 2hgk h TYR 79 Cb 0.58 0.00 -0.06 0.00 2.00 0.00 0.00 36.73 39.25 2hgk h TYR 79 CO 0.04 0.20 0.56 1.49 -0.00 0.00 0.00 178.16 180.46 2hgk h GLU 80 N 0.00 1.01 0.03 4.88 4.81 -0.04 0.29 114.58 125.56 2hgk h GLU 80 Ca -0.00 -0.06 -0.17 0.00 -0.13 0.00 0.00 59.36 58.99 2hgk h GLU 80 Cb 0.47 -0.23 0.02 0.00 0.63 0.00 0.00 28.75 29.63 2hgk h GLU 80 CO 0.03 0.67 -0.70 0.52 -0.73 0.00 0.00 179.01 178.80 2hgk h MET 81 N 1.04 0.42 -0.76 1.92 2.86 -1.35 -2.88 114.93 116.19 2hgk h MET 81 Ca 0.38 -0.49 -0.00 0.00 -2.06 0.00 0.00 59.70 57.53 2hgk h MET 81 Cb 0.13 0.15 -0.04 0.00 0.06 0.00 0.00 31.60 31.90 2hgk h MET 81 CO -0.16 1.15 0.47 0.00 1.06 0.00 0.00 176.91 179.43 2hgk h ALA 82 N 0.28 0.97 0.00 6.32 0.00 -0.73 -1.69 119.26 124.41 2hgk h ALA 82 Ca -0.09 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2hgk h ALA 82 Cb 1.42 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2hgk h ALA 82 CO 0.14 0.42 -0.08 1.28 0.00 0.00 0.00 179.25 181.01 2hgk n LEU 83 N -4.51 0.71 0.00 0.00 4.77 0.97 -4.91 117.00 114.03 2hgk n LEU 83 Ca 0.07 0.52 0.10 0.00 -0.03 0.00 0.00 56.01 56.67 2hgk n LEU 83 Cb 0.05 -0.32 -0.02 0.00 -2.33 0.00 0.00 43.42 40.79 2hgk n LEU 83 CO 0.37 -0.14 -0.13 0.00 -1.33 0.00 0.00 177.39 176.15 2hgk n ALA 84 N -1.75 -1.85 0.87 -1.18 0.00 -0.64 -3.98 120.51 111.98 2hgk n ALA 84 Ca 0.05 0.22 0.11 0.00 0.00 0.00 0.00 53.44 53.83 2hgk n ALA 84 Cb 0.42 -0.64 -0.02 0.00 0.00 0.00 0.00 19.45 19.21 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 -3.07 0.03 0.40 0.00 -2.24 -1.26 -4.16 114.28 103.97 2hgk n THR 85 Ca 0.00 -0.07 0.10 0.00 -2.27 0.00 0.00 64.05 61.82 2hgk n THR 85 Cb 0.33 0.65 0.44 0.00 -2.10 0.00 0.00 70.33 69.64 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 -1.61 0.47 -3.89 3.42 9.92 -1.26 -3.92 116.55 119.67 2hgk n ASP 86 Ca 0.04 0.62 -0.29 0.00 -0.53 0.00 0.00 54.79 54.63 2hgk n ASP 86 Cb 0.36 -0.72 -0.12 0.00 -0.64 0.00 0.00 41.12 40.00 2hgk n ASP 86 CO 0.00 0.00 0.00 -2.28 0.13 0.00 0.00 177.20 175.05 2hgk s HIS 87 N -3.24 3.36 0.60 1.24 2.46 -1.26 -4.96 115.29 113.50 2hgk s HIS 87 Ca 0.04 -3.25 0.30 0.00 0.47 0.00 0.00 55.06 52.62 2hgk s HIS 87 Cb 0.09 -2.66 1.68 0.00 -0.13 0.00 0.00 32.58 31.56 2hgk s HIS 87 CO 0.34 -0.61 2.08 -1.35 -2.47 0.00 0.00 174.74 172.73 2hgk h PRO 88 N 5.71 0.00 0.00 2.88 0.11 -1.88 0.27 132.00 139.09 2hgk h PRO 88 Ca 0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 2hgk h PRO 88 Cb 0.80 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.91 2hgk h PRO 88 CO 0.70 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.53 2hgk n GLN 89 N -3.67 0.73 0.25 1.05 6.02 -1.26 -3.38 117.38 117.11 2hgk n GLN 89 Ca 0.02 0.00 0.07 0.00 -0.01 0.00 0.00 57.00 57.08 2hgk n GLN 89 Cb 0.35 -1.23 0.61 0.00 1.02 0.00 0.00 30.24 30.99 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 0.00 -1.09 0.11 -1.30 -2.00 114.38 110.10 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 0.00 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.08 2hgk h ARG 90 CO 0.00 0.06 -0.01 0.00 0.10 0.00 0.00 179.97 180.12 2hgk h ALA 91 N 1.94 1.91 -0.34 0.08 0.00 -1.81 0.48 119.26 121.52 2hgk h ALA 91 Ca -0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2hgk h ALA 91 Cb 0.11 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2hgk h ALA 91 CO 0.01 0.01 0.01 -0.07 0.00 0.00 0.00 179.25 179.20 2hgk h LEU 92 N 0.00 0.59 -0.26 0.00 3.38 -1.65 0.13 115.31 117.50 2hgk h LEU 92 Ca -0.00 -0.30 -0.20 0.00 0.09 0.00 0.00 57.88 57.47 2hgk h LEU 92 Cb 0.01 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.61 2hgk h LEU 92 CO 0.00 0.75 -0.62 0.40 0.09 0.00 0.00 178.44 179.06 2hgk h ILE 93 N 0.41 1.27 -0.43 1.22 2.04 -1.44 -2.65 117.51 117.94 2hgk h ILE 93 Ca 0.10 -1.80 -0.01 0.00 1.00 0.00 0.00 64.86 64.15 2hgk h ILE 93 Cb 0.44 1.73 -0.02 0.00 -0.74 0.00 0.00 36.82 38.23 2hgk h ILE 93 CO 0.02 0.58 0.24 -0.07 0.00 0.00 0.00 178.15 178.92 2hgk h LEU 94 N 0.64 0.53 -0.56 1.44 3.38 -0.83 -0.58 115.31 119.32 2hgk h LEU 94 Ca -0.01 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 57.90 2hgk h LEU 94 Cb 1.24 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.82 2hgk h LEU 94 CO 0.13 0.46 0.35 0.00 0.09 0.00 0.00 178.44 179.48 2hgk h ALA 95 N 1.09 0.71 -0.67 1.53 0.00 -0.73 -0.28 119.26 120.92 2hgk h ALA 95 Ca 0.15 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 2hgk h ALA 95 Cb 0.04 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 2hgk h ALA 95 CO -0.02 0.10 0.20 1.49 0.00 0.00 0.00 179.25 181.01 2hgk h GLU 96 N 0.71 1.05 -0.51 0.00 4.57 -1.19 -0.91 114.58 118.30 2hgk h GLU 96 Ca 0.22 -0.23 -0.05 0.00 -1.18 0.00 0.00 59.36 58.11 2hgk h GLU 96 Cb -0.03 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.39 2hgk h GLU 96 CO -0.07 0.92 0.10 -0.07 -1.18 0.00 0.00 179.01 178.70 2hgk h LEU 97 N 0.98 0.74 -0.51 1.64 3.38 -0.65 0.37 115.31 121.25 2hgk h LEU 97 Ca 0.21 -0.14 -0.13 0.00 0.09 0.00 0.00 57.88 57.92 2hgk h LEU 97 Cb 0.31 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2hgk h LEU 97 CO -0.00 0.75 -0.17 -0.33 0.09 0.00 0.00 178.44 178.77 2hgk h GLU 98 N 0.76 1.02 -0.66 1.13 5.08 -0.60 0.59 114.58 121.90 2hgk h GLU 98 Ca 0.16 -0.41 0.02 0.00 -1.00 0.00 0.00 59.36 58.13 2hgk h GLU 98 Cb 0.32 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.49 2hgk h GLU 98 CO 0.00 1.10 0.42 0.87 -1.00 0.00 0.00 179.01 180.40 2hgk h LYS 99 N 0.89 0.82 0.12 2.33 6.56 -0.75 -0.69 116.57 125.84 2hgk h LYS 99 Ca 0.12 -0.05 -0.00 0.00 -1.06 0.00 0.00 60.65 59.66 2hgk h LYS 99 Cb 0.75 -0.18 -0.00 0.00 -0.57 0.00 0.00 32.23 32.22 2hgk h LYS 99 CO 0.06 0.54 -0.06 1.25 -2.06 0.00 0.00 179.45 179.18 2hgk h LEU 100 N 0.84 -0.16 -0.90 2.94 5.85 -0.58 -2.55 115.31 120.77 2hgk h LEU 100 Ca 0.26 0.01 0.04 0.00 0.84 0.00 0.00 57.88 59.02 2hgk h LEU 100 Cb -0.03 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 40.99 2hgk h LEU 100 CO -0.09 -0.11 0.58 -0.78 -0.34 0.00 0.00 178.44 177.71 2hgk h ASP 101 N -0.17 0.96 -0.00 1.25 3.58 -0.67 -0.72 116.42 120.64 2hgk h ASP 101 Ca -0.01 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.43 2hgk h ASP 101 Cb 0.14 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 40.97 2hgk h ASP 101 CO 0.02 0.65 0.00 0.00 -2.88 0.00 0.00 179.24 177.03 2hgk h ALA 102 N 1.38 1.73 0.13 -0.78 0.00 -0.86 -0.42 119.26 120.44 2hgk h ALA 102 Ca 0.36 -0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.99 2hgk h ALA 102 Cb 0.02 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.82 2hgk h ALA 102 CO -0.12 -0.00 -1.25 -0.07 0.00 0.00 0.00 179.25 177.81 2hgk h LEU 103 N 0.00 0.51 -1.43 0.00 3.38 -0.75 -3.15 115.31 113.87 2hgk h LEU 103 Ca 0.00 -0.53 -0.05 0.00 0.09 0.00 0.00 57.88 57.39 2hgk h LEU 103 Cb 0.00 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2hgk h LEU 103 CO -0.00 1.40 -0.17 -0.26 0.09 0.00 0.00 178.44 179.50 2hgk h PHE 104 N 0.11 0.17 0.00 1.13 0.04 -0.42 -1.49 116.94 116.48 2hgk h PHE 104 Ca -0.15 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.60 2hgk h PHE 104 Cb 1.96 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 40.06 2hgk h PHE 104 CO 0.07 0.33 0.00 0.00 -0.60 0.00 0.00 178.31 178.11 2hgk n ALA 105 N -2.49 2.19 0.14 2.45 0.00 -0.35 -2.67 120.51 119.77 2hgk n ALA 105 Ca -0.01 -0.10 0.08 0.00 0.00 0.00 0.00 53.44 53.41 2hgk n ALA 105 Cb 0.28 -1.40 0.05 0.00 0.00 0.00 0.00 19.45 18.38 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 0.00 -0.73 0.00 3.58 -1.23 -3.18 116.42 114.86 2hgk h ASP 106 Ca 0.00 0.00 -0.28 0.00 0.42 0.00 0.00 57.03 57.17 2hgk h ASP 106 Cb 0.35 0.00 -0.17 0.00 1.72 0.00 0.00 39.33 41.23 2hgk h ASP 106 CO 0.00 0.18 0.32 -0.67 -2.88 0.00 0.00 179.24 176.19 2hgk n ASP 107 N -2.97 4.22 -4.81 2.28 2.03 -1.09 -5.00 116.55 111.22 2hgk n ASP 107 Ca 0.00 -3.38 -0.31 0.00 0.52 0.00 0.00 54.79 51.62 2hgk n ASP 107 Cb 0.62 -0.75 0.06 0.00 -0.72 0.00 0.00 41.12 40.33 2hgk n ASP 107 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2hgk s ALA 108 N -3.10 2.59 -0.01 -1.67 0.00 -1.20 -4.39 121.76 113.98 2hgk s ALA 108 Ca 0.54 0.17 -0.01 0.00 0.00 0.00 0.00 51.96 52.65 2hgk s ALA 108 Cb 0.44 -3.21 -0.05 0.00 0.00 0.00 0.00 23.12 20.31 2hgk s ALA 108 CO 0.11 -1.30 2.35 0.43 0.00 0.00 0.00 175.76 177.35 2hgk n SER 109 N -3.09 5.37 0.00 0.00 7.64 -1.26 -3.79 113.62 118.49 2hgk n SER 109 Ca 0.08 -2.45 0.00 0.00 1.01 0.00 0.00 58.87 57.51 2hgk n SER 109 Cb 0.53 -1.19 0.00 0.00 -1.01 0.00 0.00 64.21 62.54 2hgk n SER 109 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2hgk n LEU 110 N 1.67 1.10 -0.04 -3.43 4.77 -1.26 -4.31 117.00 115.50 2hgk n LEU 110 Ca 0.10 -1.10 -0.06 0.00 -0.03 0.00 0.00 56.01 54.92 2hgk n LEU 110 Cb 0.59 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.66 2hgk n LEU 110 CO 0.04 0.28 -0.42 1.21 -1.33 0.00 0.00 177.39 177.16 2hgk n GLU 111 N -0.12 0.33 -2.50 3.23 2.13 -1.25 -4.93 120.64 117.53 2hgk n GLU 111 Ca 0.00 0.13 -0.41 0.00 0.66 0.00 0.00 57.16 57.54 2hgk n GLU 111 Cb 0.10 -1.08 -0.03 0.00 0.27 0.00 0.00 31.44 30.71 2hgk n GLU 111 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 2hgk s HIS 112 N -2.55 2.28 -1.00 4.31 3.76 -1.26 -4.82 115.29 116.01 2hgk s HIS 112 Ca -0.18 0.12 0.27 0.00 -0.15 0.00 0.00 55.06 55.11 2hgk s HIS 112 Cb 0.02 -4.56 0.80 0.00 1.11 0.00 0.00 32.58 29.96 2hgk s HIS 112 CO 0.27 -2.02 1.63 0.72 -0.85 0.00 0.00 174.74 174.48 2hgk n HIS 113 N 9.52 0.01 1.18 1.40 8.25 -1.26 -2.34 115.22 131.98 2hgk n HIS 113 Ca 0.06 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.66 2hgk n HIS 113 Cb 0.49 -0.36 0.61 0.00 1.12 0.00 0.00 29.99 31.85 2hgk n HIS 113 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2hgk n HIS 114 N -1.51 0.00 -2.99 4.41 8.25 -1.26 -4.81 115.22 117.32 2hgk n HIS 114 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 2hgk n HIS 114 Cb 0.34 -0.36 0.00 0.00 1.12 0.00 0.00 29.99 31.09 2hgk n HIS 114 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2hgk n HIS 115 N -1.35 0.00 -2.59 4.41 8.25 -0.99 -5.07 115.22 117.89 2hgk n HIS 115 Ca 0.10 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.38 2hgk n HIS 115 Cb 0.30 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.43 2hgk n HIS 115 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2hgk n HIS 116 N 0.00 2.24 -0.94 4.41 -0.00 -1.23 -4.87 115.22 114.83 2hgk n HIS 116 Ca 0.00 -2.99 0.00 0.00 -0.00 0.00 0.00 57.72 54.73 2hgk n HIS 116 Cb 0.00 -0.24 0.00 0.00 -0.00 0.00 0.00 29.99 29.75 2hgk n HIS 116 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92