#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 2.35 0.34 2.03 -4.23 -1.26 -5.01 115.64 109.86 2hgk s THR 2 Ca 0.00 -1.80 0.26 0.00 -1.18 0.00 0.00 61.69 58.97 2hgk s THR 2 Cb 0.00 -2.96 0.26 0.00 1.34 0.00 0.00 72.50 71.14 2hgk s THR 2 CO 0.00 -0.05 1.99 0.00 -0.54 0.00 0.00 174.62 176.02 2hgk h THR 3 N 1.56 0.61 -0.21 3.99 1.03 -2.00 -2.15 112.91 115.74 2hgk h THR 3 Ca -0.43 -0.74 -0.05 0.00 -0.01 0.00 0.00 66.41 65.18 2hgk h THR 3 Cb 1.25 1.48 -0.01 0.00 -1.07 0.00 0.00 68.15 69.80 2hgk h THR 3 CO 0.71 0.16 -0.08 0.45 -0.01 0.00 0.00 175.52 176.75 2hgk h HIS 4 N 0.00 0.33 -0.21 0.00 -0.00 -1.95 -1.71 115.15 111.61 2hgk h HIS 4 Ca -0.00 -0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.30 2hgk h HIS 4 Cb 0.47 -0.10 -0.01 0.00 -0.00 0.00 0.00 27.41 27.77 2hgk h HIS 4 CO 0.00 0.40 -0.01 -0.44 -0.00 0.00 0.00 177.93 177.88 2hgk h ASP 5 N 0.31 0.37 -0.90 2.45 3.32 -1.79 -1.17 116.42 119.01 2hgk h ASP 5 Ca 0.07 -0.32 -0.02 0.00 0.02 0.00 0.00 57.03 56.77 2hgk h ASP 5 Cb 0.34 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.74 2hgk h ASP 5 CO 0.02 0.60 0.49 0.03 -1.72 0.00 0.00 179.24 178.66 2hgk h ARG 6 N 0.13 1.26 -0.49 3.56 3.08 -1.42 0.21 114.38 120.71 2hgk h ARG 6 Ca 0.06 -0.15 -0.08 0.00 0.07 0.00 0.00 59.98 59.88 2hgk h ARG 6 Cb 0.42 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 2hgk h ARG 6 CO 0.01 0.92 -0.01 0.28 -1.07 0.00 0.00 179.97 180.10 2hgk h VAL 7 N 1.26 1.26 -0.46 2.04 2.07 -1.28 -1.29 116.25 119.85 2hgk h VAL 7 Ca 0.32 -1.09 -0.01 0.00 0.82 0.00 0.00 66.70 66.73 2hgk h VAL 7 Cb 0.03 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 2hgk h VAL 7 CO -0.05 0.38 0.24 -0.09 0.02 0.00 0.00 177.57 178.07 2hgk h ARG 8 N 0.72 0.65 -0.05 1.57 2.43 -0.39 -0.12 114.38 119.19 2hgk h ARG 8 Ca 0.14 -0.08 -0.07 0.00 -0.81 0.00 0.00 59.98 59.15 2hgk h ARG 8 Cb 0.53 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 2hgk h ARG 8 CO 0.03 0.53 -0.30 -0.07 -1.51 0.00 0.00 179.97 178.65 2hgk h LEU 9 N 0.60 0.10 -0.65 3.80 3.38 -0.56 -2.35 115.31 119.63 2hgk h LEU 9 Ca 0.16 -0.03 -0.15 0.00 0.09 0.00 0.00 57.88 57.96 2hgk h LEU 9 Cb 0.08 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2hgk h LEU 9 CO -0.02 0.40 -0.56 -0.61 0.09 0.00 0.00 178.44 177.74 2hgk h GLN 10 N 0.09 0.35 -0.75 1.13 5.75 -0.57 -0.91 115.11 120.18 2hgk h GLN 10 Ca 0.01 -0.22 -0.04 0.00 -0.15 0.00 0.00 58.65 58.25 2hgk h GLN 10 Cb 0.58 0.03 -0.03 0.00 1.07 0.00 0.00 27.48 29.12 2hgk h GLN 10 CO 0.04 0.81 0.31 -0.07 -2.65 0.00 0.00 178.83 177.27 2hgk h LEU 11 N 0.27 1.02 -0.82 -2.39 3.38 -0.54 0.12 115.31 116.35 2hgk h LEU 11 Ca 0.00 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.74 2hgk h LEU 11 Cb 1.06 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 2hgk h LEU 11 CO 0.09 0.90 -0.08 1.56 0.09 0.00 0.00 178.44 181.00 2hgk h GLN 12 N 1.09 0.80 -0.36 1.13 4.20 -1.05 0.45 115.11 121.37 2hgk h GLN 12 Ca 0.25 -0.25 -0.07 0.00 0.06 0.00 0.00 58.65 58.64 2hgk h GLN 12 Cb 0.19 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 2hgk h GLN 12 CO -0.02 0.86 -0.06 0.00 -0.67 0.00 0.00 178.83 178.94 2hgk h ALA 13 N 1.18 0.49 -0.54 3.87 0.00 -0.58 0.11 119.26 123.78 2hgk h ALA 13 Ca 0.13 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2hgk h ALA 13 Cb 0.56 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 2hgk h ALA 13 CO 0.03 0.32 0.29 1.25 0.00 0.00 0.00 179.25 181.14 2hgk h LEU 14 N 0.47 0.68 -0.74 0.00 5.85 -0.63 -0.08 115.31 120.87 2hgk h LEU 14 Ca 0.09 -0.10 0.05 0.00 0.84 0.00 0.00 57.88 58.77 2hgk h LEU 14 Cb 0.55 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.35 2hgk h LEU 14 CO 0.03 0.58 0.45 -0.08 -0.34 0.00 0.00 178.44 179.08 2hgk h GLU 15 N 0.72 0.81 -0.80 1.25 4.81 -0.71 0.59 114.58 121.26 2hgk h GLU 15 Ca 0.19 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.33 2hgk h GLU 15 Cb 0.06 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.22 2hgk h GLU 15 CO -0.03 0.54 0.34 0.00 -0.73 0.00 0.00 179.01 179.13 2hgk h ALA 16 N 1.35 1.03 -0.48 2.92 0.00 -0.21 0.17 119.26 124.04 2hgk h ALA 16 Ca 0.32 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 2hgk h ALA 16 Cb 0.12 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2hgk h ALA 16 CO -0.15 0.63 0.14 1.25 0.00 0.00 0.00 179.25 181.12 2hgk h LEU 17 N 1.15 0.72 -0.95 0.00 5.85 -0.29 -0.47 115.31 121.32 2hgk h LEU 17 Ca 0.27 -0.22 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 2hgk h LEU 17 Cb 0.18 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 2hgk h LEU 17 CO -0.03 0.74 0.25 -0.07 -0.34 0.00 0.00 178.44 179.00 2hgk h LEU 18 N 0.65 0.94 -0.11 2.25 3.38 -0.53 -1.12 115.31 120.77 2hgk h LEU 18 Ca 0.15 -0.14 0.03 0.00 0.09 0.00 0.00 57.88 58.01 2hgk h LEU 18 Cb 0.29 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 2hgk h LEU 18 CO -0.00 0.85 -0.06 -0.09 0.09 0.00 0.00 178.44 179.22 2hgk h ARG 19 N 0.99 -0.06 0.76 1.13 2.43 -0.26 0.57 114.38 119.94 2hgk h ARG 19 Ca 0.23 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.36 2hgk h ARG 19 Cb 0.22 0.01 0.01 0.00 -0.42 0.00 0.00 29.97 29.79 2hgk h ARG 19 CO -0.02 -0.04 -0.36 0.93 -1.51 0.00 0.00 179.97 178.97 2hgk h GLU 20 N -0.06 -0.98 -0.35 0.20 5.08 -0.60 -2.93 114.58 114.94 2hgk h GLU 20 Ca 0.06 0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 2hgk h GLU 20 Cb 0.15 0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2hgk h GLU 20 CO -0.14 -0.65 0.00 0.72 -1.00 0.00 0.00 179.01 177.93 2hgk n HIS 21 N -5.53 0.23 -3.36 4.33 8.25 -0.47 -4.89 115.22 113.78 2hgk n HIS 21 Ca -0.14 -0.10 -0.14 0.00 -0.26 0.00 0.00 57.72 57.07 2hgk n HIS 21 Cb 0.41 -0.05 0.02 0.00 1.12 0.00 0.00 29.99 31.50 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 -0.05 -1.52 -1.12 -0.41 6.02 -0.60 -4.94 117.38 114.76 2hgk n GLN 22 Ca 0.05 1.00 0.05 0.00 -0.01 0.00 0.00 57.00 58.09 2hgk n GLN 22 Cb 0.19 -4.84 0.09 0.00 1.02 0.00 0.00 30.24 26.71 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 -2.78 0.00 -3.82 1.08 8.25 0.19 -5.02 115.22 113.12 2hgk n HIS 23 Ca -0.09 -0.87 -0.36 0.00 -0.26 0.00 0.00 57.72 56.14 2hgk n HIS 23 Cb 0.58 -0.19 -0.13 0.00 1.12 0.00 0.00 29.99 31.38 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 -1.26 3.07 0.28 4.41 -0.11 -1.22 -4.81 118.94 119.29 2hgk s TRP 24 Ca 0.35 -0.46 0.03 0.00 1.22 0.00 0.00 56.10 57.23 2hgk s TRP 24 Cb 0.37 -2.20 -0.01 0.00 -1.50 0.00 0.00 33.47 30.13 2hgk s TRP 24 CO -0.13 -0.34 0.09 0.54 -4.62 0.00 0.00 176.95 172.49 2hgk n ARG 25 N 4.78 0.72 -3.54 5.86 1.74 -1.26 -5.05 116.66 119.91 2hgk n ARG 25 Ca -0.16 -2.32 -0.29 0.00 -0.77 0.00 0.00 57.85 54.30 2hgk n ARG 25 Cb 0.51 1.24 -0.15 0.00 -1.02 0.00 0.00 32.46 33.04 2hgk n ARG 25 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2hgk s ASN 26 N -2.69 3.50 0.19 0.55 2.47 -1.26 -4.89 114.94 112.80 2hgk s ASN 26 Ca 0.13 -1.40 0.03 0.00 0.42 0.00 0.00 52.86 52.04 2hgk s ASN 26 Cb 0.01 -0.38 0.03 0.00 -1.45 0.00 0.00 41.25 39.46 2hgk s ASN 26 CO 0.09 -0.42 0.24 -0.67 -3.72 0.00 0.00 177.10 172.62 2hgk n ASP 27 N 5.10 0.82 -4.84 -4.21 -0.08 -1.26 -5.12 116.55 106.96 2hgk n ASP 27 Ca -0.04 -1.52 -0.26 0.00 -1.51 0.00 0.00 54.79 51.46 2hgk n ASP 27 Cb 0.41 -0.12 -0.05 0.00 2.34 0.00 0.00 41.12 43.71 2hgk n ASP 27 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 2hgk s GLU 28 N -2.83 3.07 -1.09 -0.67 2.02 -1.26 -5.00 118.70 112.94 2hgk s GLU 28 Ca 0.18 -0.78 -0.16 0.00 0.02 0.00 0.00 54.97 54.24 2hgk s GLU 28 Cb -0.01 -2.75 -0.07 0.00 0.10 0.00 0.00 34.13 31.39 2hgk s GLU 28 CO 0.12 0.50 2.15 -2.30 0.02 0.00 0.00 175.26 175.75 2hgk n PRO 29 N -0.37 2.23 -1.59 0.39 -0.02 -1.26 -4.93 135.00 129.45 2hgk n PRO 29 Ca -0.08 -2.04 -0.44 0.00 -2.02 0.00 0.00 63.50 58.92 2hgk n PRO 29 Cb 0.54 -2.94 -0.04 0.00 -0.02 0.00 0.00 33.50 31.05 2hgk n PRO 29 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2hgk n GLN 30 N 5.91 1.97 -0.32 -0.52 6.02 -1.26 -4.86 117.38 124.32 2hgk n GLN 30 Ca 0.52 0.57 0.11 0.00 -0.01 0.00 0.00 57.00 58.20 2hgk n GLN 30 Cb 0.34 -3.11 0.28 0.00 1.02 0.00 0.00 30.24 28.77 2hgk n GLN 30 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 2hgk h PRO 31 N 14.10 0.59 0.00 -1.09 0.11 -2.00 0.11 132.00 143.81 2hgk h PRO 31 Ca -0.41 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.65 2hgk h PRO 31 Cb 1.25 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 2hgk h PRO 31 CO 0.96 0.39 -0.10 1.12 -0.21 0.00 0.00 178.00 180.16 2hgk h HIS 32 N 0.60 0.00 0.31 0.65 2.07 -1.97 -2.32 115.15 114.50 2hgk h HIS 32 Ca 0.53 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 58.04 2hgk h HIS 32 Cb 0.87 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.85 2hgk h HIS 32 CO -0.07 0.10 -0.15 0.37 -3.07 0.00 0.00 177.93 175.11 2hgk h GLN 33 N 0.00 -0.41 0.00 5.12 4.15 -1.35 -2.95 115.11 119.67 2hgk h GLN 33 Ca -0.00 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.45 2hgk h GLN 33 Cb 0.56 0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.35 2hgk h GLN 33 CO 0.01 -0.16 0.00 0.74 -1.93 0.00 0.00 178.83 177.50 2hgk h PHE 34 N -1.05 0.00 -0.00 3.99 0.04 -1.51 -0.58 116.94 117.83 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 0.44 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.59 2hgk h PHE 34 CO 0.03 0.00 -0.19 -1.71 -0.60 0.00 0.00 178.31 175.84 2hgk n ASN 35 N -2.78 0.47 -0.03 2.17 5.15 -0.88 -2.83 115.26 116.54 2hgk n ASN 35 Ca 0.01 -0.38 -0.06 0.00 -0.60 0.00 0.00 54.58 53.55 2hgk n ASN 35 Cb 0.24 -0.05 0.13 0.00 -0.53 0.00 0.00 39.78 39.58 2hgk n ASN 35 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 2hgk h SER 36 N 0.44 0.62 0.00 1.20 0.02 -0.91 -3.46 113.55 111.46 2hgk h SER 36 Ca 0.00 -0.23 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 2hgk h SER 36 Cb 0.43 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.80 2hgk h SER 36 CO 0.00 0.88 0.00 0.41 -1.14 0.00 0.00 176.83 176.98 2hgk n THR 37 N -4.09 0.00 -1.72 -2.27 -1.04 -1.13 -4.95 114.28 99.08 2hgk n THR 37 Ca -0.01 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.61 2hgk n THR 37 Cb 0.45 -0.12 0.03 0.00 -1.82 0.00 0.00 70.33 68.87 2hgk n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2hgk n GLN 38 N -2.00 1.83 -0.35 -2.82 6.02 -1.26 -4.88 117.38 113.92 2hgk n GLN 38 Ca 0.00 0.66 0.15 0.00 -0.01 0.00 0.00 57.00 57.80 2hgk n GLN 38 Cb 0.00 -2.48 0.35 0.00 1.02 0.00 0.00 30.24 29.13 2hgk n GLN 38 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 2hgk h PRO 39 N 1.77 0.66 -0.16 -1.09 0.11 -2.01 -0.82 132.00 130.46 2hgk h PRO 39 Ca -0.50 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.58 2hgk h PRO 39 Cb 1.30 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2hgk h PRO 39 CO 0.58 0.44 0.00 1.19 -0.21 0.00 0.00 178.00 180.00 2hgk n PHE 40 N -4.80 0.21 -3.89 0.65 3.72 -1.26 -4.97 117.46 107.12 2hgk n PHE 40 Ca 0.25 -0.29 -0.31 0.00 -0.05 0.00 0.00 57.45 57.05 2hgk n PHE 40 Cb 0.65 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.17 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 0.38 -2.02 0.10 1.38 3.72 -0.31 -4.73 117.46 115.98 2hgk n PHE 41 Ca 0.07 0.78 0.19 0.00 -0.05 0.00 0.00 57.45 58.44 2hgk n PHE 41 Cb 0.31 -3.45 0.76 0.00 -0.94 0.00 0.00 39.48 36.16 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 -1.66 0.00 0.03 -1.08 2.86 -1.84 0.39 114.93 113.64 2hgk h MET 42 Ca -0.55 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.09 2hgk h MET 42 Cb 1.36 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.02 2hgk h MET 42 CO 0.68 0.00 -0.02 0.22 1.06 0.00 0.00 176.91 178.85 2hgk h ASP 43 N 0.00 -0.04 1.27 1.22 1.82 -1.98 -3.37 116.42 115.34 2hgk h ASP 43 Ca 0.18 -0.67 -0.03 0.00 -0.39 0.00 0.00 57.03 56.12 2hgk h ASP 43 Cb 0.90 0.01 -0.00 0.00 0.68 0.00 0.00 39.33 40.92 2hgk h ASP 43 CO -0.00 0.74 -0.74 0.71 -1.61 0.00 0.00 179.24 178.33 2hgk h THR 44 N -0.89 0.12 -3.80 2.25 1.35 -1.62 -3.45 112.91 106.88 2hgk h THR 44 Ca -0.00 -1.21 -0.27 0.00 -0.55 0.00 0.00 66.41 64.37 2hgk h THR 44 Cb 0.71 1.77 -0.28 0.00 -1.73 0.00 0.00 68.15 68.61 2hgk h THR 44 CO 0.01 0.07 -0.73 -0.32 -0.25 0.00 0.00 175.52 174.29 2hgk s MET 45 N -3.24 0.18 0.63 4.72 1.75 0.13 -4.97 119.30 118.50 2hgk s MET 45 Ca 0.02 -0.07 -0.12 0.00 -1.25 0.00 0.00 55.69 54.26 2hgk s MET 45 Cb 0.08 -0.18 -0.03 0.00 2.84 0.00 0.00 34.83 37.54 2hgk s MET 45 CO 0.76 0.04 1.04 -1.21 -0.65 0.00 0.00 175.02 174.99 2hgk s GLU 46 N -0.02 3.43 0.57 4.11 8.01 -1.26 -3.53 118.70 130.01 2hgk s GLU 46 Ca 0.01 0.85 0.27 0.00 0.01 0.00 0.00 54.97 56.11 2hgk s GLU 46 Cb -0.01 -2.06 1.56 0.00 -4.31 0.00 0.00 34.13 29.31 2hgk s GLU 46 CO -0.00 -0.71 2.06 -1.35 0.01 0.00 0.00 175.26 175.28 2hgk h PRO 47 N -0.27 0.00 -6.75 0.39 0.11 -1.88 -3.30 132.00 120.30 2hgk h PRO 47 Ca -0.44 0.00 -0.50 0.00 0.11 0.00 0.00 66.00 65.16 2hgk h PRO 47 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2hgk h PRO 47 CO 0.60 0.00 0.44 -0.51 -0.21 0.00 0.00 178.00 178.32 2hgk s LEU 48 N -7.93 4.56 0.00 2.35 1.43 -1.26 -3.42 118.68 114.41 2hgk s LEU 48 Ca -0.05 2.13 0.00 0.00 -1.03 0.00 0.00 54.13 55.18 2hgk s LEU 48 Cb 0.16 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.77 2hgk s LEU 48 CO 0.59 -0.07 0.00 -0.62 0.23 0.00 0.00 176.35 176.48 2hgk n GLU 49 N 1.59 0.00 0.28 1.70 -0.58 -1.26 -4.73 120.64 117.64 2hgk n GLU 49 Ca -0.00 0.00 0.14 0.00 -0.42 0.00 0.00 57.16 56.88 2hgk n GLU 49 Cb 0.46 -1.52 0.84 0.00 -0.57 0.00 0.00 31.44 30.66 2hgk n GLU 49 CO 0.00 0.00 0.00 2.35 -0.48 0.00 0.00 177.13 179.00 2hgk h TRP 50 N 0.00 0.00 -0.82 -0.32 7.01 -1.63 -1.75 115.95 118.44 2hgk h TRP 50 Ca 0.00 0.00 0.22 0.00 2.11 0.00 0.00 58.89 61.22 2hgk h TRP 50 Cb 0.00 0.00 -0.04 0.00 -2.10 0.00 0.00 29.16 27.02 2hgk h TRP 50 CO 0.00 0.04 0.57 -0.07 -2.79 0.00 0.00 178.44 176.20 2hgk h LEU 51 N 0.00 0.12 -9.81 0.65 3.38 -1.85 -2.82 115.31 104.97 2hgk h LEU 51 Ca -0.00 0.01 -0.59 0.00 0.09 0.00 0.00 57.88 57.39 2hgk h LEU 51 Cb 0.11 -0.01 -0.10 0.00 0.09 0.00 0.00 40.66 40.75 2hgk h LEU 51 CO 0.01 0.05 -0.54 0.00 0.09 0.00 0.00 178.44 178.05 2hgk s GLN 52 N -5.11 2.12 0.00 1.13 1.03 -0.66 -2.99 119.66 115.18 2hgk s GLN 52 Ca -0.06 -1.97 0.00 0.00 0.04 0.00 0.00 55.36 53.38 2hgk s GLN 52 Cb 0.21 -1.84 0.00 0.00 0.03 0.00 0.00 33.01 31.42 2hgk s GLN 52 CO 0.77 -0.10 0.00 1.87 -2.54 0.00 0.00 175.29 175.28 2hgk n TRP 53 N -1.14 0.00 0.00 9.60 -0.00 -1.26 -4.21 117.44 120.43 2hgk n TRP 53 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.47 2hgk n TRP 53 Cb 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.97 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 0.19 5.87 0.31 -1.25 -4.51 118.33 118.93 2hgk n VAL 54 Ca 0.00 0.49 -0.17 0.00 -0.01 0.00 0.00 64.34 64.65 2hgk n VAL 54 Cb 0.00 -1.49 -0.09 0.00 -0.91 0.00 0.00 33.84 31.35 2hgk n VAL 54 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 2hgk h LEU 55 N 0.00 -1.44 0.32 7.52 5.85 -1.66 0.17 115.31 126.08 2hgk h LEU 55 Ca 0.00 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.86 2hgk h LEU 55 Cb 0.00 0.51 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 2hgk h LEU 55 CO 0.00 -0.59 -0.36 0.40 -0.34 0.00 0.00 178.44 177.55 2hgk h ILE 56 N -0.84 0.26 -0.24 4.05 2.04 -1.80 -0.60 117.51 120.37 2hgk h ILE 56 Ca -0.03 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.76 2hgk h ILE 56 Cb 0.78 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 2hgk h ILE 56 CO -0.18 0.00 -0.14 -0.65 0.00 0.00 0.00 178.15 177.18 2hgk h PRO 57 N -0.72 0.39 -0.64 2.37 0.11 -1.77 -0.94 132.00 130.80 2hgk h PRO 57 Ca -0.02 -0.11 -0.08 0.00 0.11 0.00 0.00 66.00 65.91 2hgk h PRO 57 Cb 0.67 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.71 2hgk h PRO 57 CO -0.09 0.54 0.09 -0.09 -0.21 0.00 0.00 178.00 178.24 2hgk h ARG 58 N 0.37 1.05 -0.00 1.05 2.43 -0.37 -1.63 114.38 117.28 2hgk h ARG 58 Ca 0.07 -0.28 -0.17 0.00 -0.81 0.00 0.00 59.98 58.79 2hgk h ARG 58 Cb 0.47 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 2hgk h ARG 58 CO 0.03 0.97 -0.78 0.52 -1.51 0.00 0.00 179.97 179.20 2hgk h MET 59 N 0.98 0.04 -0.90 0.20 2.86 -0.83 -2.73 114.93 114.56 2hgk h MET 59 Ca 0.19 -0.04 0.06 0.00 -2.06 0.00 0.00 59.70 57.86 2hgk h MET 59 Cb 0.44 0.01 -0.06 0.00 0.06 0.00 0.00 31.60 32.05 2hgk h MET 59 CO 0.01 0.80 0.56 0.45 1.06 0.00 0.00 176.91 179.79 2hgk h HIS 60 N 0.02 1.04 0.10 -0.22 3.86 -0.71 0.14 115.15 119.39 2hgk h HIS 60 Ca -0.01 0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.24 2hgk h HIS 60 Cb 1.38 -0.34 -0.03 0.00 1.06 0.00 0.00 27.41 29.48 2hgk h HIS 60 CO 0.01 0.53 -0.21 0.22 0.86 0.00 0.00 177.93 179.34 2hgk h ASP 61 N 1.02 -0.58 -0.62 2.45 3.58 -1.08 0.31 116.42 121.50 2hgk h ASP 61 Ca 0.39 0.07 0.04 0.00 0.42 0.00 0.00 57.03 57.95 2hgk h ASP 61 Cb 0.17 0.22 -0.04 0.00 1.72 0.00 0.00 39.33 41.40 2hgk h ASP 61 CO -0.17 -0.29 0.37 0.25 -2.88 0.00 0.00 179.24 176.51 2hgk h LEU 62 N -0.39 0.58 -0.32 2.28 5.85 -1.10 0.14 115.31 122.35 2hgk h LEU 62 Ca 0.03 0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.65 2hgk h LEU 62 Cb 0.41 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 2hgk h LEU 62 CO -0.12 0.39 -0.25 -0.07 -0.34 0.00 0.00 178.44 178.05 2hgk h LEU 63 N 0.71 0.77 -0.55 2.25 3.38 -0.55 -2.36 115.31 118.95 2hgk h LEU 63 Ca 0.26 -0.45 -0.12 0.00 0.09 0.00 0.00 57.88 57.66 2hgk h LEU 63 Cb 0.08 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 2hgk h LEU 63 CO -0.13 1.06 -0.13 -0.78 0.09 0.00 0.00 178.44 178.55 2hgk h ASP 64 N 0.49 1.03 0.72 -0.43 3.58 -0.07 -1.30 116.42 120.45 2hgk h ASP 64 Ca 0.06 -0.35 0.00 0.00 0.42 0.00 0.00 57.03 57.16 2hgk h ASP 64 Cb 0.82 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 41.58 2hgk h ASP 64 CO 0.07 1.15 0.00 0.59 -2.88 0.00 0.00 179.24 178.17 2hgk n ASN 65 N -4.14 0.60 -1.99 2.28 3.02 0.01 -4.88 115.26 110.16 2hgk n ASN 65 Ca 0.01 0.64 -0.16 0.00 -0.03 0.00 0.00 54.58 55.05 2hgk n ASN 65 Cb 0.41 -0.77 0.01 0.00 -0.61 0.00 0.00 39.78 38.82 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 -2.16 -2.20 -2.79 3.52 5.02 -0.49 -4.99 118.16 114.08 2hgk n LYS 66 Ca 0.02 0.73 -0.32 0.00 -2.02 0.00 0.00 58.31 56.72 2hgk n LYS 66 Cb 0.23 -5.10 -0.06 0.00 -0.02 0.00 0.00 35.03 30.08 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 -5.02 4.08 0.35 1.97 -1.52 -1.07 -5.01 119.66 113.43 2hgk s GLN 67 Ca 0.09 0.94 -0.29 0.00 -1.95 0.00 0.00 55.36 54.15 2hgk s GLN 67 Cb -0.04 -2.24 -0.12 0.00 -0.22 0.00 0.00 33.01 30.40 2hgk s GLN 67 CO 0.11 -0.05 1.44 -2.30 -0.25 0.00 0.00 175.29 174.24 2hgk n PRO 68 N -0.85 2.49 -2.09 2.91 -0.02 -1.26 -4.85 135.00 131.33 2hgk n PRO 68 Ca 0.06 0.87 -0.37 0.00 -2.02 0.00 0.00 63.50 62.04 2hgk n PRO 68 Cb 0.54 -2.57 0.01 0.00 -0.02 0.00 0.00 33.50 31.46 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 -1.38 3.91 0.39 2.45 1.43 -1.26 -4.90 118.68 119.33 2hgk s LEU 69 Ca 0.56 2.45 0.15 0.00 -1.03 0.00 0.00 54.13 56.27 2hgk s LEU 69 Cb -0.52 -4.31 1.02 0.00 0.03 0.00 0.00 46.19 42.42 2hgk s LEU 69 CO 0.60 -1.20 1.82 -0.65 0.23 0.00 0.00 176.35 177.15 2hgk h PRO 70 N 1.71 0.46 0.00 1.29 0.11 -1.92 -3.46 132.00 130.19 2hgk h PRO 70 Ca -0.50 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.58 2hgk h PRO 70 Cb 1.27 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2hgk h PRO 70 CO 0.59 0.31 0.00 0.41 -0.21 0.00 0.00 178.00 179.09 2hgk n GLY 71 N -1.47 2.61 2.52 -0.55 0.00 -1.20 -4.76 105.19 102.34 2hgk n GLY 71 Ca 0.21 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.98 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 3.77 -3.60 4.61 0.00 -1.26 -4.62 120.51 119.39 2hgk n ALA 72 Ca 0.00 -4.38 -0.29 0.00 0.00 0.00 0.00 53.44 48.76 2hgk n ALA 72 Cb 0.00 -0.84 -0.14 0.00 0.00 0.00 0.00 19.45 18.47 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 -2.59 1.00 -0.10 0.00 5.36 -1.26 -5.12 117.98 115.28 2hgk s PHE 73 Ca 0.42 -1.49 -0.01 0.00 -0.96 0.00 0.00 56.93 54.89 2hgk s PHE 73 Cb 0.22 -1.25 -0.03 0.00 -0.34 0.00 0.00 43.02 41.62 2hgk s PHE 73 CO -0.07 -0.84 -0.05 0.00 -1.46 0.00 0.00 175.22 172.79 2hgk s ALA 74 N 1.50 3.01 0.00 11.12 0.00 -1.26 -4.83 121.76 131.29 2hgk s ALA 74 Ca 0.13 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.23 2hgk s ALA 74 Cb -0.19 -1.35 0.00 0.00 0.00 0.00 0.00 23.12 21.58 2hgk s ALA 74 CO -0.20 0.46 0.00 1.33 0.00 0.00 0.00 175.76 177.36 2hgk n VAL 75 N 2.62 0.00 0.05 0.00 0.24 -1.26 -4.73 118.33 115.25 2hgk n VAL 75 Ca -0.18 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.00 2hgk n VAL 75 Cb 0.53 -0.62 -0.08 0.00 -1.47 0.00 0.00 33.84 32.20 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 -0.06 -0.50 2.33 0.00 -1.94 0.14 119.26 119.24 2hgk h ALA 76 Ca 0.00 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 54.92 2hgk h ALA 76 Cb 0.67 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 2hgk h ALA 76 CO 0.00 -0.47 0.34 -1.00 0.00 0.00 0.00 179.25 178.12 2hgk h PRO 77 N -0.19 0.34 -0.05 0.00 0.13 -1.98 0.90 132.00 131.15 2hgk h PRO 77 Ca -0.01 -0.02 -0.06 0.00 -0.87 0.00 0.00 66.00 65.04 2hgk h PRO 77 Cb 0.17 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.22 2hgk h PRO 77 CO 0.01 0.22 -0.20 -0.92 -0.23 0.00 0.00 178.00 176.89 2hgk h TYR 78 N 0.35 0.29 0.00 1.56 3.20 -1.72 -3.19 116.97 117.46 2hgk h TYR 78 Ca 0.23 -0.13 -0.03 0.00 3.14 0.00 0.00 58.73 61.94 2hgk h TYR 78 Cb 0.44 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.66 2hgk h TYR 78 CO -0.00 0.83 -0.13 1.88 -1.64 0.00 0.00 178.16 179.10 2hgk h TYR 79 N -0.33 0.00 0.00 -3.82 -1.99 -0.20 0.28 116.97 110.92 2hgk h TYR 79 Ca -0.01 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.71 2hgk h TYR 79 Cb 0.85 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.58 2hgk h TYR 79 CO 0.14 0.13 -0.02 1.49 -0.00 0.00 0.00 178.16 179.89 2hgk h GLU 80 N 0.00 0.00 0.00 4.88 4.81 -0.82 0.20 114.58 123.65 2hgk h GLU 80 Ca -0.00 0.00 -0.41 0.00 -0.13 0.00 0.00 59.36 58.82 2hgk h GLU 80 Cb 0.49 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.81 2hgk h GLU 80 CO 0.02 0.02 -2.31 -1.33 -0.73 0.00 0.00 179.01 174.68 2hgk n MET 81 N -3.36 0.58 -0.28 1.92 2.81 -0.05 -4.64 117.12 114.10 2hgk n MET 81 Ca -0.02 0.29 -0.05 0.00 -1.81 0.00 0.00 57.70 56.11 2hgk n MET 81 Cb 0.13 -1.51 0.07 0.00 -0.71 0.00 0.00 33.22 31.20 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 -0.95 0.99 -0.83 3.04 0.00 -0.43 -3.28 119.26 117.80 2hgk h ALA 82 Ca -0.62 -0.10 -0.63 0.00 0.00 0.00 0.00 54.91 53.56 2hgk h ALA 82 Cb 1.54 -0.31 -0.08 0.00 0.00 0.00 0.00 17.79 18.94 2hgk h ALA 82 CO -0.38 0.48 2.01 -0.51 0.00 0.00 0.00 179.25 180.85 2hgk s LEU 83 N -9.99 3.71 0.90 0.00 1.43 0.68 -4.97 118.68 110.45 2hgk s LEU 83 Ca -0.13 -2.27 -0.11 0.00 -1.03 0.00 0.00 54.13 50.59 2hgk s LEU 83 Cb 0.15 -2.58 0.13 0.00 0.03 0.00 0.00 46.19 43.92 2hgk s LEU 83 CO 0.80 -1.45 1.13 0.00 0.23 0.00 0.00 176.35 177.06 2hgk n ALA 84 N 9.23 -0.71 0.75 4.21 0.00 -1.24 -4.83 120.51 127.92 2hgk n ALA 84 Ca 0.47 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2hgk n ALA 84 Cb 0.46 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.72 2hgk n ALA 84 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2hgk n THR 85 N -4.02 0.02 -0.11 0.00 -1.04 -1.26 -3.32 114.28 104.54 2hgk n THR 85 Ca 0.12 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 62.01 2hgk n THR 85 Cb 0.52 -0.38 -0.03 0.00 -1.82 0.00 0.00 70.33 68.61 2hgk n THR 85 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 2hgk h ASP 86 N 0.26 0.69 -3.58 8.00 3.58 -1.99 -3.40 116.42 119.99 2hgk h ASP 86 Ca 0.00 -0.40 -0.68 0.00 0.42 0.00 0.00 57.03 56.38 2hgk h ASP 86 Cb 0.38 -0.19 -0.31 0.00 1.72 0.00 0.00 39.33 40.93 2hgk h ASP 86 CO 0.00 0.93 -0.71 -2.28 -2.88 0.00 0.00 179.24 174.30 2hgk s HIS 87 N -4.65 3.12 1.32 0.28 2.46 -1.21 -5.12 115.29 111.49 2hgk s HIS 87 Ca -0.13 -1.50 -0.22 0.00 0.47 0.00 0.00 55.06 53.69 2hgk s HIS 87 Cb 0.09 -2.11 0.33 0.00 -0.13 0.00 0.00 32.58 30.76 2hgk s HIS 87 CO 0.81 -0.71 1.05 -2.14 -2.47 0.00 0.00 174.74 171.27 2hgk s PRO 88 N 1.35 -2.17 -1.39 2.88 0.02 -1.26 -4.17 135.00 130.25 2hgk s PRO 88 Ca -0.00 -0.12 0.00 0.00 0.02 0.00 0.00 61.00 60.89 2hgk s PRO 88 Cb -0.17 -1.49 0.00 0.00 0.02 0.00 0.00 34.50 32.86 2hgk s PRO 88 CO -0.02 -4.32 0.00 1.04 -0.33 0.00 0.00 177.00 173.36 2hgk n GLN 89 N -5.19 -1.19 0.23 5.54 6.02 -1.26 -4.88 117.38 116.65 2hgk n GLN 89 Ca 0.15 0.82 0.13 0.00 -0.01 0.00 0.00 57.00 58.09 2hgk n GLN 89 Cb 0.60 -5.12 0.32 0.00 1.02 0.00 0.00 30.24 27.06 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 -1.96 -3.12 114.38 108.32 2hgk h ARG 90 Ca -0.35 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 59.66 2hgk h ARG 90 Cb 1.21 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.28 2hgk h ARG 90 CO 0.44 0.02 -0.32 0.00 0.10 0.00 0.00 179.97 180.20 2hgk h ALA 91 N 1.98 1.16 -0.30 0.08 0.00 -1.94 0.21 119.26 120.44 2hgk h ALA 91 Ca -0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 2hgk h ALA 91 Cb 0.87 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2hgk h ALA 91 CO 0.00 0.41 0.12 -0.07 0.00 0.00 0.00 179.25 179.71 2hgk h LEU 92 N 0.00 0.41 -0.22 0.00 3.38 -1.95 0.25 115.31 117.18 2hgk h LEU 92 Ca -0.00 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 2hgk h LEU 92 Cb 0.72 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 2hgk h LEU 92 CO 0.04 0.46 0.04 0.40 0.09 0.00 0.00 178.44 179.47 2hgk h ILE 93 N 0.34 1.22 -0.50 1.22 2.04 -1.57 -2.70 117.51 117.56 2hgk h ILE 93 Ca 0.10 -0.74 0.03 0.00 1.00 0.00 0.00 64.86 65.25 2hgk h ILE 93 Cb 0.17 1.30 -0.03 0.00 -0.74 0.00 0.00 36.82 37.52 2hgk h ILE 93 CO -0.01 0.23 0.33 -0.07 0.00 0.00 0.00 178.15 178.64 2hgk h LEU 94 N 0.16 0.49 0.30 1.44 3.38 -0.84 0.09 115.31 120.33 2hgk h LEU 94 Ca 0.07 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2hgk h LEU 94 Cb 0.31 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 2hgk h LEU 94 CO 0.00 0.34 -0.17 0.00 0.09 0.00 0.00 178.44 178.70 2hgk h ALA 95 N 1.71 -0.44 -0.03 1.53 0.00 -0.19 0.31 119.26 122.14 2hgk h ALA 95 Ca 0.20 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 2hgk h ALA 95 Cb 0.10 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2hgk h ALA 95 CO -0.05 -0.75 -0.28 0.93 0.00 0.00 0.00 179.25 179.09 2hgk h GLU 96 N -0.44 0.06 -0.30 0.00 4.39 -1.20 -2.56 114.58 114.52 2hgk h GLU 96 Ca -0.03 -0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.59 2hgk h GLU 96 Cb 0.36 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 2hgk h GLU 96 CO 0.05 0.34 -0.04 -0.07 -1.16 0.00 0.00 179.01 178.13 2hgk h LEU 97 N 0.06 0.55 -1.48 1.33 3.38 -0.47 -2.71 115.31 115.97 2hgk h LEU 97 Ca 0.01 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.64 2hgk h LEU 97 Cb 0.53 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 2hgk h LEU 97 CO 0.04 0.76 0.34 -0.33 0.09 0.00 0.00 178.44 179.34 2hgk h GLU 98 N 0.33 0.68 0.38 1.13 5.08 -0.13 0.45 114.58 122.51 2hgk h GLU 98 Ca 0.08 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2hgk h GLU 98 Cb 0.50 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 2hgk h GLU 98 CO 0.02 0.46 -0.38 0.87 -1.00 0.00 0.00 179.01 178.98 2hgk h LYS 99 N 0.70 -0.75 -0.80 2.33 1.57 -1.27 0.83 116.57 119.18 2hgk h LYS 99 Ca 0.19 0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.98 2hgk h LYS 99 Cb -0.08 0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.37 2hgk h LYS 99 CO -0.04 -0.50 0.35 1.25 -0.57 0.00 0.00 179.45 179.94 2hgk h LEU 100 N -0.78 1.08 -0.71 2.94 5.85 -1.09 -1.71 115.31 120.89 2hgk h LEU 100 Ca -0.03 -0.16 0.05 0.00 0.84 0.00 0.00 57.88 58.59 2hgk h LEU 100 Cb 0.70 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.40 2hgk h LEU 100 CO -0.06 0.94 0.42 -0.78 -0.34 0.00 0.00 178.44 178.62 2hgk h ASP 101 N 1.16 0.65 0.64 1.25 1.82 0.11 -1.26 116.42 120.78 2hgk h ASP 101 Ca 0.27 0.02 -0.12 0.00 -0.39 0.00 0.00 57.03 56.81 2hgk h ASP 101 Cb 0.17 -0.11 -0.02 0.00 0.68 0.00 0.00 39.33 40.05 2hgk h ASP 101 CO -0.03 0.43 -0.58 0.00 -1.61 0.00 0.00 179.24 177.44 2hgk h ALA 102 N 1.35 0.99 -0.58 -0.78 0.00 -0.49 -3.13 119.26 116.62 2hgk h ALA 102 Ca 0.31 -0.53 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 2hgk h ALA 102 Cb 0.14 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2hgk h ALA 102 CO -0.16 0.73 0.17 -0.07 0.00 0.00 0.00 179.25 179.92 2hgk h LEU 103 N 0.00 0.81 -0.32 0.00 3.38 -0.32 -0.29 115.31 118.57 2hgk h LEU 103 Ca -0.01 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2hgk h LEU 103 Cb 1.06 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.60 2hgk h LEU 103 CO 0.08 0.77 0.00 0.49 0.09 0.00 0.00 178.44 179.87 2hgk n PHE 104 N -4.28 0.45 0.76 1.13 3.72 -0.97 -1.18 117.46 117.09 2hgk n PHE 104 Ca 0.04 0.17 0.11 0.00 -0.05 0.00 0.00 57.45 57.73 2hgk n PHE 104 Cb 0.21 -0.77 0.13 0.00 -0.94 0.00 0.00 39.48 38.10 2hgk n PHE 104 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2hgk n ALA 105 N -1.65 2.45 0.06 4.37 0.00 -0.22 -3.22 120.51 122.30 2hgk n ALA 105 Ca 0.03 -0.77 -0.22 0.00 0.00 0.00 0.00 53.44 52.48 2hgk n ALA 105 Cb 0.23 -0.78 -0.15 0.00 0.00 0.00 0.00 19.45 18.75 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 4.40 0.56 -0.18 0.00 3.58 -0.12 -3.25 116.42 121.41 2hgk h ASP 106 Ca 0.00 -0.91 0.00 0.00 0.42 0.00 0.00 57.03 56.54 2hgk h ASP 106 Cb 0.95 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.82 2hgk h ASP 106 CO 0.00 1.62 0.00 -0.67 -2.88 0.00 0.00 179.24 177.31 2hgk n ASP 107 N -3.86 2.13 -1.16 2.28 2.03 -1.23 -3.44 116.55 113.31 2hgk n ASP 107 Ca -0.20 -2.21 0.12 0.00 0.52 0.00 0.00 54.79 53.01 2hgk n ASP 107 Cb 0.96 -0.46 0.22 0.00 -0.72 0.00 0.00 41.12 41.12 2hgk n ASP 107 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2hgk n ALA 108 N 0.18 2.42 -0.22 -1.67 0.00 -1.23 -4.26 120.51 115.73 2hgk n ALA 108 Ca 0.08 -0.99 -0.04 0.00 0.00 0.00 0.00 53.44 52.49 2hgk n ALA 108 Cb 0.45 -0.88 0.06 0.00 0.00 0.00 0.00 19.45 19.09 2hgk n ALA 108 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2hgk h SER 109 N 4.49 0.62 -3.08 0.00 0.02 -1.76 -3.30 113.55 110.53 2hgk h SER 109 Ca 0.00 0.00 -0.73 0.00 -0.84 0.00 0.00 61.79 60.22 2hgk h SER 109 Cb 0.99 -0.13 -0.21 0.00 0.14 0.00 0.00 62.40 63.19 2hgk h SER 109 CO 0.00 0.43 0.29 -0.76 -1.14 0.00 0.00 176.83 175.65 2hgk s LEU 110 N -10.20 5.79 0.37 5.07 1.43 -1.26 -4.88 118.68 115.00 2hgk s LEU 110 Ca -0.13 -2.03 0.07 0.00 -1.03 0.00 0.00 54.13 51.01 2hgk s LEU 110 Cb 0.14 -2.29 0.71 0.00 0.03 0.00 0.00 46.19 44.78 2hgk s LEU 110 CO 0.76 -0.91 1.91 1.05 0.23 0.00 0.00 176.35 179.38 2hgk h GLU 111 N 8.62 0.38 -5.14 1.70 -0.00 -1.90 -3.18 114.58 115.05 2hgk h GLU 111 Ca -0.04 -0.08 -0.69 0.00 -0.00 0.00 0.00 59.36 58.55 2hgk h GLU 111 Cb 1.06 -0.06 -0.16 0.00 -0.00 0.00 0.00 28.75 29.59 2hgk h GLU 111 CO 0.99 0.45 1.02 -1.01 -0.00 0.00 0.00 179.01 180.46 2hgk s HIS 112 N -4.87 3.09 -1.07 2.06 3.76 -1.26 -4.85 115.29 112.15 2hgk s HIS 112 Ca -0.07 -1.43 0.14 0.00 -0.15 0.00 0.00 55.06 53.56 2hgk s HIS 112 Cb 0.16 -4.35 0.64 0.00 1.11 0.00 0.00 32.58 30.14 2hgk s HIS 112 CO 0.75 -1.54 1.45 0.72 -0.85 0.00 0.00 174.74 175.27 2hgk n HIS 113 N 6.75 0.00 0.90 1.40 8.25 -1.21 -1.02 115.22 130.29 2hgk n HIS 113 Ca 0.27 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.85 2hgk n HIS 113 Cb 0.48 -0.46 0.29 0.00 1.12 0.00 0.00 29.99 31.42 2hgk n HIS 113 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2hgk n HIS 114 N -1.46 0.25 -4.50 4.41 -0.00 -1.26 -4.82 115.22 107.82 2hgk n HIS 114 Ca 0.04 -0.12 -0.28 0.00 -0.00 0.00 0.00 57.72 57.35 2hgk n HIS 114 Cb 0.16 0.00 -0.17 0.00 -0.00 0.00 0.00 29.99 29.98 2hgk n HIS 114 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2hgk s HIS 115 N -1.75 1.96 0.21 1.57 4.02 -0.19 -5.13 115.29 115.98 2hgk s HIS 115 Ca 0.34 -0.90 0.01 0.00 1.02 0.00 0.00 55.06 55.54 2hgk s HIS 115 Cb 0.20 -1.41 -0.05 0.00 -1.02 0.00 0.00 32.58 30.30 2hgk s HIS 115 CO 0.30 -0.46 0.05 -1.01 1.02 0.00 0.00 174.74 174.64 2hgk s HIS 116 N 0.93 1.33 0.00 1.40 0.09 -1.26 -4.85 115.29 112.94 2hgk s HIS 116 Ca -0.08 -1.11 0.00 0.00 -0.00 0.00 0.00 55.06 53.87 2hgk s HIS 116 Cb -0.15 -0.76 0.00 0.00 -0.00 0.00 0.00 32.58 31.66 2hgk s HIS 116 CO -0.01 -0.29 0.04 0.72 -0.00 0.00 0.00 174.74 175.20