#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hth n VAL 2 N 0.00 0.00 -3.56 2.46 0.24 -1.26 -4.70 118.33 111.51 1hth n VAL 2 Ca 0.00 0.00 -0.27 0.00 -2.04 0.00 0.00 64.34 62.03 1hth n VAL 2 Cb 0.00 -0.02 -0.03 0.00 -1.47 0.00 0.00 33.84 32.32 1hth n VAL 2 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1hth s SER 3 N -3.66 6.40 -0.17 -1.34 0.01 -1.26 -5.03 113.70 108.65 1hth s SER 3 Ca 0.00 0.51 -0.20 0.00 1.31 0.00 0.00 55.95 57.56 1hth s SER 3 Cb 0.00 -2.05 -0.17 0.00 0.21 0.00 0.00 66.02 64.00 1hth s SER 3 CO 0.00 -0.11 0.30 -0.33 0.41 0.00 0.00 173.24 173.51 1hth h GLU 4 N 1.80 0.00 -1.53 12.44 5.08 -2.06 -3.36 114.58 126.95 1hth h GLU 4 Ca -0.48 0.00 -0.41 0.00 -1.00 0.00 0.00 59.36 57.47 1hth h GLU 4 Cb 1.19 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 30.28 1hth h GLU 4 CO 0.67 0.78 0.49 -0.89 -1.00 0.00 0.00 179.01 179.05 1hth n ILE 5 N -4.54 3.00 -0.11 3.13 -0.00 -1.26 -4.29 119.36 115.30 1hth n ILE 5 Ca -0.20 -2.08 -0.24 0.00 -0.00 0.00 0.00 62.75 60.23 1hth n ILE 5 Cb 0.51 -1.35 -0.11 0.00 -0.00 0.00 0.00 39.64 38.68 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 0.24 0.62 -0.30 0.38 7.27 -1.26 -3.65 117.38 120.68 1hth n GLN 6 Ca 0.38 0.33 -0.02 0.00 0.07 0.00 0.00 57.00 57.76 1hth n GLN 6 Cb 0.58 -1.60 -0.03 0.00 2.41 0.00 0.00 30.24 31.60 1hth n GLN 6 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 1hth n LEU 7 N -4.01 2.18 0.00 1.69 -0.00 -1.26 -3.63 117.00 111.97 1hth n LEU 7 Ca -0.43 -1.26 0.00 0.00 -0.00 0.00 0.00 56.01 54.31 1hth n LEU 7 Cb 0.87 -0.52 0.00 0.00 -0.00 0.00 0.00 43.42 43.77 1hth n LEU 7 CO 0.18 0.41 0.00 0.00 -0.00 0.00 0.00 177.39 177.98 1hth n HIS 9 N 2.24 0.00 0.09 1.96 1.44 -1.24 -3.90 115.22 115.81 1hth n HIS 9 Ca 0.08 0.00 -0.21 0.00 -2.01 0.00 0.00 57.72 55.58 1hth n HIS 9 Cb 0.28 0.00 -0.15 0.00 0.12 0.00 0.00 29.99 30.24 1hth n HIS 9 CO 0.00 0.00 0.00 -0.91 -2.81 0.00 0.00 176.34 172.62 1hth h ASN 10 N 0.00 0.59 -0.55 4.39 2.35 -1.92 -3.33 115.58 117.10 1hth h ASN 10 Ca 0.00 -0.79 0.11 0.00 -0.55 0.00 0.00 56.30 55.07 1hth h ASN 10 Cb 0.00 -0.19 -0.09 0.00 0.05 0.00 0.00 38.32 38.09 1hth h ASN 10 CO 0.00 1.65 0.03 0.25 -1.65 0.00 0.00 177.43 177.71 1hth h LEU 11 N 0.10 -0.17 0.00 1.61 7.12 -1.91 -3.50 115.31 118.56 1hth h LEU 11 Ca -0.29 0.13 0.00 0.00 0.13 0.00 0.00 57.88 57.85 1hth h LEU 11 Cb 2.08 0.21 0.00 0.00 -0.53 0.00 0.00 40.66 42.43 1hth h LEU 11 CO 0.19 -0.06 0.00 0.61 -0.13 0.00 0.00 178.44 179.05 1hth n GLY 12 N -1.33 2.31 3.67 3.75 0.00 -1.25 -5.02 105.19 107.32 1hth n GLY 12 Ca 0.07 -0.52 -0.32 0.00 0.00 0.00 0.00 46.02 45.25 1hth n GLY 12 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1hth s HIS 14 N 0.00 3.03 -0.43 1.61 2.46 -1.26 -5.10 115.29 115.59 1hth s HIS 14 Ca 0.00 0.04 0.01 0.00 0.47 0.00 0.00 55.06 55.58 1hth s HIS 14 Cb 0.00 -1.64 0.07 0.00 -0.13 0.00 0.00 32.58 30.88 1hth s HIS 14 CO 0.00 0.45 0.88 1.28 -2.47 0.00 0.00 174.74 174.88 1hth n LEU 15 N 1.30 2.52 0.22 8.88 4.77 -1.26 -3.86 117.00 129.57 1hth n LEU 15 Ca -0.14 -1.28 0.13 0.00 -0.03 0.00 0.00 56.01 54.70 1hth n LEU 15 Cb 0.53 -0.53 0.33 0.00 -2.33 0.00 0.00 43.42 41.41 1hth n LEU 15 CO 0.34 0.44 0.86 -1.13 -1.33 0.00 0.00 177.39 176.57 1hth h ASN 16 N 0.23 0.00 0.00 -1.43 -1.24 -2.04 -2.58 115.58 108.51 1hth h ASN 16 Ca 0.03 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.04 1hth h ASN 16 Cb 0.94 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.99 1hth h ASN 16 CO 0.08 0.00 0.00 -1.84 -1.29 0.00 0.00 177.43 174.38 1hth n GLU 17 N -3.01 0.46 0.00 6.67 0.28 -1.25 -4.11 120.64 119.67 1hth n GLU 17 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.03 1hth n GLU 17 Cb 0.46 -1.23 0.00 0.00 1.43 0.00 0.00 31.44 32.10 1hth n GLU 17 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1hth n GLU 19 N 0.30 0.00 0.02 3.44 4.07 -0.97 -4.68 120.64 122.81 1hth n GLU 19 Ca 0.00 0.00 -0.21 0.00 -0.06 0.00 0.00 57.16 56.89 1hth n GLU 19 Cb 0.12 -1.88 -0.14 0.00 -0.06 0.00 0.00 31.44 29.48 1hth n GLU 19 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1hth h ARG 20 N 0.76 0.25 -1.00 5.31 3.08 -1.88 -3.02 114.38 117.88 1hth h ARG 20 Ca 0.00 -0.43 0.29 0.00 0.07 0.00 0.00 59.98 59.91 1hth h ARG 20 Cb 0.00 0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.17 1hth h ARG 20 CO 0.00 1.21 1.00 -0.39 -1.07 0.00 0.00 179.97 180.72 1hth h VAL 21 N -0.35 0.14 0.18 2.04 -1.51 -1.93 1.57 116.25 116.40 1hth h VAL 21 Ca -0.25 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.21 1hth h VAL 21 Cb 1.71 0.22 0.00 0.00 -2.13 0.00 0.00 31.29 31.09 1hth h VAL 21 CO 0.08 0.00 -0.08 -0.08 -1.23 0.00 0.00 177.57 176.26 1hth h GLU 22 N 0.00 -0.23 0.31 5.19 4.81 -1.96 -3.22 114.58 119.48 1hth h GLU 22 Ca 0.48 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.71 1hth h GLU 22 Cb 2.47 0.05 0.00 0.00 0.63 0.00 0.00 28.75 31.91 1hth h GLU 22 CO -0.01 -0.15 -0.15 0.11 -0.73 0.00 0.00 179.01 178.08 1hth h TRP 23 N -0.43 -0.39 -0.90 0.92 -0.00 0.10 -2.29 115.95 112.97 1hth h TRP 23 Ca -0.02 -0.01 0.31 0.00 -0.00 0.00 0.00 58.89 59.16 1hth h TRP 23 Cb 0.18 0.13 -0.09 0.00 -0.00 0.00 0.00 29.16 29.38 1hth h TRP 23 CO 0.07 -0.16 0.58 1.28 -0.00 0.00 0.00 178.44 180.21 1hth n LEU 24 N -5.22 0.13 0.22 0.11 4.32 0.49 0.12 117.00 117.17 1hth n LEU 24 Ca -0.10 0.87 -0.15 0.00 -0.02 0.00 0.00 56.01 56.61 1hth n LEU 24 Cb 0.22 -0.43 -0.08 0.00 -1.62 0.00 0.00 43.42 41.52 1hth n LEU 24 CO 0.34 -0.94 0.61 -0.09 -1.22 0.00 0.00 177.39 176.09 1hth h ARG 25 N 0.00 -0.54 0.00 3.23 2.43 -1.42 -2.39 114.38 115.70 1hth h ARG 25 Ca 0.56 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.77 1hth h ARG 25 Cb 1.84 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 31.51 1hth h ARG 25 CO -0.28 -0.26 0.00 1.63 -1.51 0.00 0.00 179.97 179.55 1hth n LYS 26 N -5.25 0.81 -0.32 0.20 4.01 0.32 -4.13 118.16 113.80 1hth n LYS 26 Ca -0.11 0.00 -0.03 0.00 -0.51 0.00 0.00 58.31 57.66 1hth n LYS 26 Cb 0.28 -1.17 0.02 0.00 -0.51 0.00 0.00 35.03 33.65 1hth n LYS 26 CO 0.00 0.00 0.00 -0.22 -1.11 0.00 0.00 177.40 176.07 1hth h LYS 27 N 0.00 -0.06 -0.62 1.97 3.11 -0.75 0.85 116.57 121.07 1hth h LYS 27 Ca 0.00 0.00 -0.04 0.00 -2.81 0.00 0.00 60.65 57.80 1hth h LYS 27 Cb 0.00 0.01 -0.03 0.00 -1.00 0.00 0.00 32.23 31.22 1hth h LYS 27 CO 0.00 -0.04 0.22 -0.07 -2.81 0.00 0.00 179.45 176.75 1hth h LEU 28 N -0.06 0.85 -3.39 5.20 4.07 -1.81 -2.17 115.31 117.99 1hth h LEU 28 Ca 0.30 -0.13 -0.28 0.00 0.08 0.00 0.00 57.88 57.86 1hth h LEU 28 Cb 0.58 -0.22 -0.12 0.00 1.08 0.00 0.00 40.66 41.98 1hth h LEU 28 CO -0.88 0.78 0.36 1.67 -1.08 0.00 0.00 178.44 179.29 1hth n GLN 29 N -4.30 1.69 -0.27 1.13 7.27 0.28 -3.72 117.38 119.46 1hth n GLN 29 Ca 0.05 -1.34 0.02 0.00 0.07 0.00 0.00 57.00 55.80 1hth n GLN 29 Cb 0.19 -1.53 0.03 0.00 2.41 0.00 0.00 30.24 31.35 1hth n GLN 29 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 1hth n ASP 30 N 0.49 0.72 -4.34 1.69 2.03 -0.50 -4.84 116.55 111.80 1hth n ASP 30 Ca 0.26 -2.09 -0.46 0.00 0.52 0.00 0.00 54.79 53.02 1hth n ASP 30 Cb 0.58 -0.21 -0.01 0.00 -0.72 0.00 0.00 41.12 40.76 1hth n ASP 30 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1hth s VAL 31 N -0.77 5.67 -0.49 5.18 1.01 -1.24 -4.60 120.40 125.15 1hth s VAL 31 Ca 0.08 -2.70 -0.01 0.00 0.00 0.00 0.00 61.98 59.35 1hth s VAL 31 Cb 0.07 -4.54 -0.01 0.00 0.00 0.00 0.00 36.38 31.90 1hth s VAL 31 CO 0.01 -1.11 0.46 1.57 0.00 0.00 0.00 175.10 176.02 1hth n HIS 32 N 3.79 -1.73 -0.49 5.22 -0.00 -1.26 -4.80 115.22 115.95 1hth n HIS 32 Ca 0.18 0.65 0.43 0.00 0.46 0.00 0.00 57.72 59.43 1hth n HIS 32 Cb 0.45 -3.18 0.76 0.00 -0.12 0.00 0.00 29.99 27.90 1hth n HIS 32 CO 0.00 0.00 0.00 -0.97 0.46 0.00 0.00 176.34 175.83 1hth h ASN 33 N 0.04 0.00 0.00 0.26 -0.73 -1.88 -3.53 115.58 109.73 1hth h ASN 33 Ca -0.09 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.08 1hth h ASN 33 Cb 1.05 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.64 1hth h ASN 33 CO 0.20 0.00 0.00 0.33 -0.37 0.00 0.00 177.43 177.59