#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hg5 s LEU 81 N 0.00 -0.01 -0.00 -2.12 1.43 -1.26 -5.17 118.68 111.55 2hg5 s LEU 81 Ca 0.00 0.93 -0.27 0.00 -1.03 0.00 0.00 54.13 53.76 2hg5 s LEU 81 Cb 0.00 1.48 0.06 0.00 0.03 0.00 0.00 46.19 47.76 2hg5 s LEU 81 CO 0.00 -0.18 0.61 -0.72 0.23 0.00 0.00 176.35 176.28 2hg5 s TYR 82 N 1.02 -0.56 0.63 0.29 -0.85 -1.26 -5.16 117.35 111.47 2hg5 s TYR 82 Ca -0.06 0.83 -0.15 0.00 -0.52 0.00 0.00 57.07 57.17 2hg5 s TYR 82 Cb -0.06 0.39 -0.02 0.00 0.38 0.00 0.00 41.96 42.65 2hg5 s TYR 82 CO -0.09 -0.63 1.08 -1.25 -1.52 0.00 0.00 175.55 173.15 2hg5 s PRO 83 N -1.76 3.04 0.00 -3.49 0.04 -1.26 -4.97 135.00 126.60 2hg5 s PRO 83 Ca -0.09 1.27 0.00 0.00 0.04 0.00 0.00 61.00 62.22 2hg5 s PRO 83 Cb -0.01 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.54 2hg5 s PRO 83 CO 0.04 -1.04 0.00 1.33 0.04 0.00 0.00 177.00 177.37 2hg5 n VAL 84 N -2.30 0.00 -3.49 -0.36 0.24 -1.26 -4.85 118.33 106.30 2hg5 n VAL 84 Ca 0.09 -0.24 -0.23 0.00 -2.04 0.00 0.00 64.34 61.93 2hg5 n VAL 84 Cb 0.52 0.92 -0.01 0.00 -1.47 0.00 0.00 33.84 33.80 2hg5 n VAL 84 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2hg5 s THR 85 N -0.59 5.01 0.16 3.34 -4.23 -1.26 -4.98 115.64 113.09 2hg5 s THR 85 Ca 0.00 -0.62 -0.15 0.00 -1.18 0.00 0.00 61.69 59.74 2hg5 s THR 85 Cb 0.00 -3.81 0.03 0.00 1.34 0.00 0.00 72.50 70.06 2hg5 s THR 85 CO 0.00 -0.47 1.78 0.25 -0.54 0.00 0.00 174.62 175.64 2hg5 h LEU 86 N 0.83 0.28 -0.89 4.79 5.85 -1.99 -1.66 115.31 122.51 2hg5 h LEU 86 Ca -0.50 0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.14 2hg5 h LEU 86 Cb 1.23 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.21 2hg5 h LEU 86 CO 0.61 0.20 -0.52 -0.50 -0.34 0.00 0.00 178.44 177.89 2hg5 h TRP 87 N 0.40 0.00 -0.42 1.25 4.06 -1.99 -1.81 115.95 117.43 2hg5 h TRP 87 Ca 0.18 0.00 -0.08 0.00 2.06 0.00 0.00 58.89 61.05 2hg5 h TRP 87 Cb 0.09 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.24 2hg5 h TRP 87 CO -0.11 0.52 -0.05 0.78 -3.56 0.00 0.00 178.44 176.02 2hg5 h GLY 88 N 1.78 0.84 1.18 1.49 0.00 -1.89 -1.01 103.07 105.47 2hg5 h GLY 88 Ca -0.01 -0.66 -0.06 0.00 0.00 0.00 0.00 47.33 46.61 2hg5 h GLY 88 CO 0.07 0.60 0.16 3.21 0.00 0.00 0.00 176.54 180.59 2hg5 h ARG 89 N 0.61 1.02 -0.49 4.80 3.08 -1.08 0.51 114.38 122.84 2hg5 h ARG 89 Ca 0.11 -0.23 -0.05 0.00 0.07 0.00 0.00 59.98 59.89 2hg5 h ARG 89 Cb 0.56 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 2hg5 h ARG 89 CO 0.03 0.90 0.13 -0.07 -1.07 0.00 0.00 179.97 179.89 2hg5 h LEU 90 N 0.98 0.74 -1.16 3.04 3.38 -1.14 0.18 115.31 121.33 2hg5 h LEU 90 Ca 0.21 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2hg5 h LEU 90 Cb 0.34 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 2hg5 h LEU 90 CO -0.00 0.78 0.44 0.58 0.09 0.00 0.00 178.44 180.32 2hg5 h VAL 91 N 0.67 1.21 -0.55 1.22 2.07 -0.82 -1.94 116.25 118.11 2hg5 h VAL 91 Ca 0.16 -0.48 -0.05 0.00 0.82 0.00 0.00 66.70 67.15 2hg5 h VAL 91 Cb 0.32 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 2hg5 h VAL 91 CO 0.00 0.22 0.14 0.00 0.02 0.00 0.00 177.57 177.95 2hg5 h ALA 92 N 1.46 0.72 -0.85 1.67 0.00 -0.05 -1.92 119.26 120.30 2hg5 h ALA 92 Ca 0.27 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.98 2hg5 h ALA 92 Cb -0.03 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.50 2hg5 h ALA 92 CO -0.05 0.42 0.55 0.28 0.00 0.00 0.00 179.25 180.45 2hg5 h VAL 93 N 0.78 1.17 -0.20 0.00 2.07 0.01 -0.53 116.25 119.55 2hg5 h VAL 93 Ca 0.17 -0.38 -0.03 0.00 0.82 0.00 0.00 66.70 67.29 2hg5 h VAL 93 Cb 0.33 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 2hg5 h VAL 93 CO 0.00 0.20 0.02 0.58 0.02 0.00 0.00 177.57 178.40 2hg5 h VAL 94 N 1.10 1.23 -0.54 2.57 2.07 -1.14 -2.05 116.25 119.50 2hg5 h VAL 94 Ca 0.33 -0.77 0.01 0.00 0.82 0.00 0.00 66.70 67.08 2hg5 h VAL 94 Cb -0.06 1.36 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 2hg5 h VAL 94 CO -0.09 0.24 0.35 0.58 0.02 0.00 0.00 177.57 178.66 2hg5 h VAL 95 N 0.12 1.12 0.15 2.57 2.07 -1.06 0.43 116.25 121.64 2hg5 h VAL 95 Ca 0.06 -0.25 0.02 0.00 0.82 0.00 0.00 66.70 67.35 2hg5 h VAL 95 Cb 0.33 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 2hg5 h VAL 95 CO 0.01 0.13 -0.28 0.24 0.02 0.00 0.00 177.57 177.68 2hg5 h MET 96 N 0.72 -0.50 -0.89 1.57 2.86 -0.98 -0.04 114.93 117.67 2hg5 h MET 96 Ca 0.20 0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.86 2hg5 h MET 96 Cb -0.07 0.11 -0.04 0.00 0.06 0.00 0.00 31.60 31.67 2hg5 h MET 96 CO -0.05 -0.33 0.49 0.28 1.06 0.00 0.00 176.91 178.35 2hg5 h VAL 97 N -0.51 1.26 -0.23 -2.22 2.07 -1.16 0.20 116.25 115.66 2hg5 h VAL 97 Ca 0.02 -0.64 -0.02 0.00 0.82 0.00 0.00 66.70 66.88 2hg5 h VAL 97 Cb 0.53 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 2hg5 h VAL 97 CO -0.15 0.29 0.07 0.00 0.02 0.00 0.00 177.57 177.80 2hg5 h ALA 98 N 1.27 0.30 -0.20 1.67 0.00 -0.61 0.22 119.26 121.90 2hg5 h ALA 98 Ca 0.31 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2hg5 h ALA 98 Cb 0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2hg5 h ALA 98 CO -0.05 -0.07 0.10 0.78 0.00 0.00 0.00 179.25 180.01 2hg5 h GLY 99 N 0.19 0.30 0.94 0.00 0.00 -0.72 -0.16 103.07 103.63 2hg5 h GLY 99 Ca 0.07 -0.15 -0.04 0.00 0.00 0.00 0.00 47.33 47.22 2hg5 h GLY 99 CO -0.00 0.14 0.12 -2.22 0.00 0.00 0.00 176.54 174.58 2hg5 h ILE 100 N 0.19 1.22 0.10 2.60 2.04 -0.47 -1.02 117.51 122.18 2hg5 h ILE 100 Ca 0.07 -0.74 0.01 0.00 1.00 0.00 0.00 64.86 65.20 2hg5 h ILE 100 Cb 0.10 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 2hg5 h ILE 100 CO -0.01 0.26 -0.16 0.74 0.00 0.00 0.00 178.15 178.98 2hg5 h THR 101 N 0.53 0.62 0.35 -0.27 2.02 -0.41 -0.83 112.91 114.93 2hg5 h THR 101 Ca 0.13 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.31 2hg5 h THR 101 Cb 0.28 0.62 -0.03 0.00 -1.74 0.00 0.00 68.15 67.28 2hg5 h THR 101 CO -0.00 0.00 -0.46 0.28 0.37 0.00 0.00 175.52 175.71 2hg5 h SER 102 N -0.32 -1.28 -0.20 4.18 0.02 -0.89 0.26 113.55 115.31 2hg5 h SER 102 Ca 0.02 0.11 0.06 0.00 -0.84 0.00 0.00 61.79 61.14 2hg5 h SER 102 Cb 0.34 0.44 -0.01 0.00 0.14 0.00 0.00 62.40 63.31 2hg5 h SER 102 CO -0.09 -0.57 0.28 -0.26 -1.14 0.00 0.00 176.83 175.05 2hg5 h PHE 103 N -0.83 0.00 0.00 3.45 -1.00 -1.16 0.30 116.94 117.70 2hg5 h PHE 103 Ca -0.04 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.74 2hg5 h PHE 103 Cb 0.75 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.31 2hg5 h PHE 103 CO -0.29 0.00 -0.69 0.78 -1.61 0.00 0.00 178.31 176.50 2hg5 h GLY 104 N 0.00 0.00 1.47 -1.45 0.00 0.15 -3.15 103.07 100.09 2hg5 h GLY 104 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 2hg5 h GLY 104 CO -0.00 0.00 -0.41 -2.00 0.00 0.00 0.00 176.54 174.13 2hg5 h LEU 105 N 0.00 0.00 0.00 3.11 5.85 0.30 -3.08 115.31 121.49 2hg5 h LEU 105 Ca 0.00 -0.13 -0.23 0.00 0.84 0.00 0.00 57.88 58.36 2hg5 h LEU 105 Cb 0.95 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.94 2hg5 h LEU 105 CO 0.00 0.06 -1.51 0.58 -0.34 0.00 0.00 178.44 177.23 2hg5 h VAL 106 N 0.00 0.76 -0.30 1.05 2.07 -1.40 -3.11 116.25 115.32 2hg5 h VAL 106 Ca 0.00 -2.45 -0.18 0.00 0.82 0.00 0.00 66.70 64.88 2hg5 h VAL 106 Cb 0.76 2.29 -0.00 0.00 -1.52 0.00 0.00 31.29 32.83 2hg5 h VAL 106 CO 0.00 0.43 -0.52 0.74 0.02 0.00 0.00 177.57 178.24 2hg5 h THR 107 N 0.00 1.27 0.00 2.57 2.02 -1.56 -1.99 112.91 115.22 2hg5 h THR 107 Ca -0.21 -1.71 -0.07 0.00 0.77 0.00 0.00 66.41 65.20 2hg5 h THR 107 Cb 1.81 1.59 -0.01 0.00 -1.74 0.00 0.00 68.15 69.80 2hg5 h THR 107 CO 0.07 0.56 -0.32 0.00 0.37 0.00 0.00 175.52 176.20 2hg5 h ALA 108 N 0.71 1.13 0.00 6.16 0.00 -1.65 -1.41 119.26 124.20 2hg5 h ALA 108 Ca 0.02 -0.29 -0.17 0.00 0.00 0.00 0.00 54.91 54.48 2hg5 h ALA 108 Cb 1.13 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 2hg5 h ALA 108 CO 0.12 0.39 -0.79 0.00 0.00 0.00 0.00 179.25 178.98 2hg5 h ALA 109 N 1.68 0.55 0.00 0.00 0.00 -1.44 -1.70 119.26 118.36 2hg5 h ALA 109 Ca -0.00 -0.72 -0.11 0.00 0.00 0.00 0.00 54.91 54.08 2hg5 h ALA 109 Cb 0.73 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2hg5 h ALA 109 CO 0.04 0.98 -0.52 -0.07 0.00 0.00 0.00 179.25 179.68 2hg5 h LEU 110 N 0.00 0.00 0.15 0.00 3.38 -0.98 -2.05 115.31 115.81 2hg5 h LEU 110 Ca -0.01 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.67 2hg5 h LEU 110 Cb 1.53 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.30 2hg5 h LEU 110 CO 0.10 0.52 -1.31 0.00 0.09 0.00 0.00 178.44 177.84 2hg5 h ALA 111 N 1.48 0.01 -0.28 1.53 0.00 -1.18 -2.20 119.26 118.62 2hg5 h ALA 111 Ca -0.01 -0.85 -0.12 0.00 0.00 0.00 0.00 54.91 53.93 2hg5 h ALA 111 Cb 1.37 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 2hg5 h ALA 111 CO 0.07 0.84 -0.32 1.15 0.00 0.00 0.00 179.25 180.98 2hg5 h THR 112 N 0.13 1.28 -0.12 0.00 2.02 -1.27 -0.74 112.91 114.21 2hg5 h THR 112 Ca -0.18 -1.44 -0.03 0.00 0.77 0.00 0.00 66.41 65.53 2hg5 h THR 112 Cb 2.01 1.42 -0.00 0.00 -1.74 0.00 0.00 68.15 69.84 2hg5 h THR 112 CO 0.23 0.46 -0.04 -0.25 0.37 0.00 0.00 175.52 176.29 2hg5 h TRP 113 N 0.51 0.28 -0.70 3.16 7.01 -1.40 -1.85 115.95 122.96 2hg5 h TRP 113 Ca 0.06 -0.06 -0.07 0.00 2.11 0.00 0.00 58.89 60.92 2hg5 h TRP 113 Cb 0.81 -0.07 -0.03 0.00 -2.10 0.00 0.00 29.16 27.77 2hg5 h TRP 113 CO 0.03 0.56 0.15 0.74 -2.79 0.00 0.00 178.44 177.13 2hg5 h PHE 114 N -0.08 1.18 0.13 2.65 0.04 -1.27 -1.34 116.94 118.26 2hg5 h PHE 114 Ca 0.03 -0.15 -0.01 0.00 2.80 0.00 0.00 57.97 60.65 2hg5 h PHE 114 Cb 0.47 -0.33 0.00 0.00 2.20 0.00 0.00 35.95 38.29 2hg5 h PHE 114 CO 0.06 0.97 -0.06 0.28 -0.60 0.00 0.00 178.31 178.95 2hg5 h VAL 115 N 1.06 0.00 -1.08 -0.55 2.07 -1.16 -2.24 116.25 114.34 2hg5 h VAL 115 Ca 0.22 -0.10 0.33 0.00 0.82 0.00 0.00 66.70 67.96 2hg5 h VAL 115 Cb 0.39 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.03 2hg5 h VAL 115 CO 0.01 0.00 0.66 1.23 0.02 0.00 0.00 177.57 179.48 2hg5 h GLY 116 N -0.28 1.70 0.00 2.17 0.00 -1.41 -1.44 103.07 103.81 2hg5 h GLY 116 Ca -0.02 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.10 2hg5 h GLY 116 CO 0.03 -0.38 0.00 0.54 0.00 0.00 0.00 176.54 176.73 2hg5 n ARG 117 N -4.86 0.00 -0.23 4.80 5.12 -0.51 -3.55 116.66 117.43 2hg5 n ARG 117 Ca 0.31 0.18 0.30 0.00 -1.93 0.00 0.00 57.85 56.72 2hg5 n ARG 117 Cb 1.05 -0.95 0.52 0.00 -1.16 0.00 0.00 32.46 31.92 2hg5 n ARG 117 CO 0.00 0.00 0.00 1.05 -1.93 0.00 0.00 177.63 176.75 2hg5 h GLU 118 N 0.00 0.00 -0.00 5.56 -0.00 -1.27 0.89 114.58 119.76 2hg5 h GLU 118 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 2hg5 h GLU 118 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 28.75 2hg5 h GLU 118 CO 0.00 0.00 0.05 1.96 -0.00 0.00 0.00 179.01 181.02 2hg5 h GLN 119 N 0.00 0.00 0.15 1.06 1.08 -1.31 0.81 115.11 116.90 2hg5 h GLN 119 Ca 0.50 0.00 -0.32 0.00 -1.45 0.00 0.00 58.65 57.38 2hg5 h GLN 119 Cb 2.78 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 30.21 2hg5 h GLN 119 CO -0.01 0.00 -1.60 1.05 -0.95 0.00 0.00 178.83 177.32 2hg5 h GLU 120 N 0.00 0.31 -1.64 1.46 4.11 0.69 -3.31 114.58 116.20 2hg5 h GLU 120 Ca 0.00 -0.54 0.00 0.00 0.07 0.00 0.00 59.36 58.90 2hg5 h GLU 120 Cb 0.09 0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2hg5 h GLU 120 CO -0.00 1.20 0.00 -2.13 0.07 0.00 0.00 179.01 178.15 2hg5 n ARG 121 N -3.51 0.22 0.00 1.06 0.63 0.28 -5.18 116.66 110.16 2hg5 n ARG 121 Ca -0.19 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.74 2hg5 n ARG 121 Cb 1.06 -1.36 0.00 0.00 0.45 0.00 0.00 32.46 32.60 2hg5 n ARG 121 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66