#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hth s VAL 2 N 0.00 1.08 -0.37 0.44 1.01 -1.26 -5.11 120.40 116.19 1hth s VAL 2 Ca 0.00 -0.89 -0.18 0.00 0.00 0.00 0.00 61.98 60.91 1hth s VAL 2 Cb 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 36.38 35.42 1hth s VAL 2 CO 0.00 0.07 0.52 -0.44 0.00 0.00 0.00 175.10 175.24 1hth s SER 3 N -0.94 6.30 0.21 3.32 0.01 -1.26 -4.93 113.70 116.41 1hth s SER 3 Ca 0.02 -0.13 -0.08 0.00 1.31 0.00 0.00 55.95 57.08 1hth s SER 3 Cb -0.07 -2.27 0.14 0.00 0.21 0.00 0.00 66.02 64.03 1hth s SER 3 CO 0.01 -0.52 1.72 -0.33 0.41 0.00 0.00 173.24 174.53 1hth h GLU 4 N 8.53 1.12 -1.35 12.44 5.08 -2.03 -2.52 114.58 135.85 1hth h GLU 4 Ca -0.27 -0.27 -0.36 0.00 -1.00 0.00 0.00 59.36 57.45 1hth h GLU 4 Cb 1.12 -0.15 -0.16 0.00 0.50 0.00 0.00 28.75 30.06 1hth h GLU 4 CO 0.79 0.99 0.47 -0.89 -1.00 0.00 0.00 179.01 179.36 1hth n ILE 5 N -4.23 2.77 0.00 3.13 5.41 -1.26 -4.07 119.36 121.12 1hth n ILE 5 Ca 0.05 -1.69 0.00 0.00 1.00 0.00 0.00 62.75 62.11 1hth n ILE 5 Cb 0.26 -1.18 0.00 0.00 -0.71 0.00 0.00 39.64 38.01 1hth n ILE 5 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 176.55 178.22 1hth n GLN 6 N 0.03 0.00 -0.39 0.38 -0.06 -0.95 -4.53 117.38 111.86 1hth n GLN 6 Ca 0.35 0.00 -0.03 0.00 -2.00 0.00 0.00 57.00 55.32 1hth n GLN 6 Cb 0.71 -0.58 -0.04 0.00 -4.06 0.00 0.00 30.24 26.27 1hth n GLN 6 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 1hth n LEU 7 N -2.50 3.00 0.00 1.69 7.99 -1.23 -2.95 117.00 123.01 1hth n LEU 7 Ca 0.00 -1.61 0.00 0.00 -0.01 0.00 0.00 56.01 54.39 1hth n LEU 7 Cb 0.33 -0.70 0.00 0.00 -0.11 0.00 0.00 43.42 42.94 1hth n LEU 7 CO 0.00 0.64 0.00 1.57 -1.51 0.00 0.00 177.39 178.09 1hth n HIS 9 N 2.10 0.00 0.31 -1.77 -0.00 -1.26 -4.55 115.22 110.04 1hth n HIS 9 Ca 0.09 0.00 0.19 0.00 -0.00 0.00 0.00 57.72 58.00 1hth n HIS 9 Cb 0.37 -0.14 0.98 0.00 -0.00 0.00 0.00 29.99 31.20 1hth n HIS 9 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 176.34 175.43 1hth h ASN 10 N 0.00 0.00 0.00 0.26 -0.26 -1.93 -3.33 115.58 110.32 1hth h ASN 10 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1hth h ASN 10 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.26 1hth h ASN 10 CO 0.00 0.03 0.00 0.18 -1.06 0.00 0.00 177.43 176.58 1hth n LEU 11 N -3.32 0.48 0.00 1.61 4.32 -1.26 -5.18 117.00 113.66 1hth n LEU 11 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.97 1hth n LEU 11 Cb 0.15 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.95 1hth n LEU 11 CO 0.25 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.03 1hth n GLY 12 N 2.89 1.60 0.00 -0.72 0.00 -1.26 -5.19 105.19 102.52 1hth n GLY 12 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1hth n GLY 12 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1hth n HIS 14 N 0.00 0.00 0.76 1.61 8.25 -1.26 -5.16 115.22 119.42 1hth n HIS 14 Ca 0.00 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.49 1hth n HIS 14 Cb 0.00 0.00 0.13 0.00 1.12 0.00 0.00 29.99 31.24 1hth n HIS 14 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1hth n LEU 15 N 0.00 2.02 -0.54 2.41 7.99 -1.26 -3.60 117.00 124.02 1hth n LEU 15 Ca 0.00 -1.02 0.13 0.00 -0.01 0.00 0.00 56.01 55.12 1hth n LEU 15 Cb 0.00 -0.37 0.40 0.00 -0.11 0.00 0.00 43.42 43.34 1hth n LEU 15 CO 0.00 0.36 0.77 -0.46 -1.51 0.00 0.00 177.39 176.55 1hth n ASN 16 N 0.24 1.74 -2.08 -1.43 6.94 -1.26 -4.15 115.26 115.26 1hth n ASN 16 Ca 0.09 -1.51 -0.25 0.00 -0.02 0.00 0.00 54.58 52.90 1hth n ASN 16 Cb 0.40 0.04 0.07 0.00 -2.36 0.00 0.00 39.78 37.93 1hth n ASN 16 CO 0.00 0.00 0.00 1.21 -1.03 0.00 0.00 177.26 177.44 1hth n GLU 17 N 0.27 2.20 0.00 -3.83 4.07 -1.24 -4.31 120.64 117.80 1hth n GLU 17 Ca 0.17 -2.40 0.00 0.00 -0.06 0.00 0.00 57.16 54.86 1hth n GLU 17 Cb 0.40 -1.94 0.00 0.00 -0.06 0.00 0.00 31.44 29.84 1hth n GLU 17 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 1hth n GLU 19 N -0.37 0.00 0.12 5.31 2.13 -1.26 -3.78 120.64 122.79 1hth n GLU 19 Ca 0.46 0.00 -0.23 0.00 0.66 0.00 0.00 57.16 58.05 1hth n GLU 19 Cb 0.75 -0.92 -0.15 0.00 0.27 0.00 0.00 31.44 31.38 1hth n GLU 19 CO 0.00 0.00 0.00 0.07 -0.41 0.00 0.00 177.13 176.79 1hth h ARG 20 N 0.00 0.47 -1.06 5.31 0.11 -1.93 -3.15 114.38 114.13 1hth h ARG 20 Ca 0.00 -0.80 0.31 0.00 0.10 0.00 0.00 59.98 59.59 1hth h ARG 20 Cb 0.00 0.30 -0.04 0.00 1.11 0.00 0.00 29.97 31.34 1hth h ARG 20 CO 0.00 1.38 1.01 -0.39 0.10 0.00 0.00 179.97 182.07 1hth h VAL 21 N 0.13 0.15 0.00 0.08 -1.51 -1.93 2.34 116.25 115.51 1hth h VAL 21 Ca -0.28 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.19 1hth h VAL 21 Cb 2.14 0.22 0.00 0.00 -2.13 0.00 0.00 31.29 31.52 1hth h VAL 21 CO 0.23 0.00 0.00 1.21 -1.23 0.00 0.00 177.57 177.78 1hth n GLU 22 N -3.61 0.00 0.46 5.19 2.13 -1.19 -3.18 120.64 120.44 1hth n GLU 22 Ca 0.23 0.48 -0.19 0.00 0.66 0.00 0.00 57.16 58.35 1hth n GLU 22 Cb 1.35 -1.21 -0.09 0.00 0.27 0.00 0.00 31.44 31.76 1hth n GLU 22 CO 0.00 0.00 0.00 0.11 -0.41 0.00 0.00 177.13 176.83 1hth h TRP 23 N 0.00 -1.07 -0.73 4.31 -0.00 -0.23 -3.02 115.95 115.21 1hth h TRP 23 Ca 0.00 -0.03 0.14 0.00 -0.00 0.00 0.00 58.89 59.01 1hth h TRP 23 Cb 0.00 0.35 -0.14 0.00 -0.00 0.00 0.00 29.16 29.38 1hth h TRP 23 CO 0.10 -0.66 -0.20 -0.11 -0.00 0.00 0.00 178.44 177.57 1hth n LEU 24 N -5.57 -0.30 0.03 0.11 -0.00 0.75 0.70 117.00 112.73 1hth n LEU 24 Ca -0.15 1.26 -0.14 0.00 -0.00 0.00 0.00 56.01 56.98 1hth n LEU 24 Cb 0.46 -0.37 -0.08 0.00 -0.00 0.00 0.00 43.42 43.43 1hth n LEU 24 CO 0.38 -1.20 0.54 -0.09 -0.00 0.00 0.00 177.39 177.01 1hth h ARG 25 N 0.00 -0.58 0.00 1.96 2.43 -1.48 -3.36 114.38 113.34 1hth h ARG 25 Ca 0.34 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.55 1hth h ARG 25 Cb 0.52 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.20 1hth h ARG 25 CO -0.75 -0.39 0.00 1.63 -1.51 0.00 0.00 179.97 178.95 1hth n LYS 26 N -5.45 0.33 0.00 0.20 4.01 0.22 -3.24 118.16 114.23 1hth n LYS 26 Ca -0.06 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.74 1hth n LYS 26 Cb 0.38 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.90 1hth n LYS 26 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 1hth n LYS 27 N -0.59 0.00 -0.27 1.97 3.00 -1.26 -3.28 118.16 117.73 1hth n LYS 27 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 58.31 58.37 1hth n LYS 27 Cb 0.00 0.00 0.17 0.00 0.00 0.00 0.00 35.03 35.20 1hth n LYS 27 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1hth h LEU 28 N 0.00 -0.35 -8.20 3.14 3.38 -1.78 -3.37 115.31 108.13 1hth h LEU 28 Ca 0.00 0.20 -0.53 0.00 0.09 0.00 0.00 57.88 57.64 1hth h LEU 28 Cb 0.00 0.35 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 1hth h LEU 28 CO 0.00 -0.19 1.66 1.67 0.09 0.00 0.00 178.44 181.67 1hth n GLN 29 N -5.35 0.36 0.00 1.13 0.00 -1.20 -3.54 117.38 108.79 1hth n GLN 29 Ca 0.14 0.03 0.00 0.00 -0.00 0.00 0.00 57.00 57.17 1hth n GLN 29 Cb 0.50 -2.08 0.00 0.00 0.00 0.00 0.00 30.24 28.66 1hth n GLN 29 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 1hth n ASP 30 N 11.53 0.00 -2.01 1.69 2.03 -1.26 -4.98 116.55 123.55 1hth n ASP 30 Ca 0.55 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.85 1hth n ASP 30 Cb 0.17 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.57 1hth n ASP 30 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1hth n VAL 31 N 0.00 -0.03 -4.23 5.18 0.24 -1.23 -1.34 118.33 116.92 1hth n VAL 31 Ca 0.00 0.00 -0.30 0.00 -2.04 0.00 0.00 64.34 62.00 1hth n VAL 31 Cb 0.00 -0.12 -0.09 0.00 -1.47 0.00 0.00 33.84 32.16 1hth n VAL 31 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1hth n HIS 32 N -2.07 -1.20 -0.44 6.34 1.44 -1.26 -4.76 115.22 113.26 1hth n HIS 32 Ca -0.01 0.56 -0.15 0.00 -2.01 0.00 0.00 57.72 56.10 1hth n HIS 32 Cb 0.35 -2.67 0.11 0.00 0.12 0.00 0.00 29.99 27.90 1hth n HIS 32 CO 0.00 0.00 0.00 0.27 -2.81 0.00 0.00 176.34 173.80 1hth n ASN 33 N -2.71 3.68 0.00 4.39 0.23 -0.45 -5.32 115.26 115.08 1hth n ASN 33 Ca -0.31 -3.03 0.00 0.00 -0.53 0.00 0.00 54.58 50.72 1hth n ASN 33 Cb 0.66 -0.73 0.00 0.00 -2.08 0.00 0.00 39.78 37.63 1hth n ASN 33 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82