#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sqb h THR 3 N 0.00 0.66 0.00 -5.08 2.02 -2.10 -3.18 112.91 105.24 1sqb h THR 3 Ca 0.00 -1.39 -0.06 0.00 0.77 0.00 0.00 66.41 65.73 1sqb h THR 3 Cb 0.00 1.92 -0.01 0.00 -1.74 0.00 0.00 68.15 68.32 1sqb h THR 3 CO 0.00 0.29 -0.27 0.08 0.37 0.00 0.00 175.52 176.00 1sqb h ARG 4 N 0.00 0.00 -0.24 6.66 0.11 -2.11 -3.02 114.38 115.78 1sqb h ARG 4 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1sqb h ARG 4 Cb 0.90 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.98 1sqb h ARG 4 CO 0.04 0.27 0.00 1.19 0.10 0.00 0.00 179.97 181.56 1sqb n PHE 5 N -4.02 0.32 -3.37 4.08 3.72 -1.20 -4.75 117.46 112.23 1sqb n PHE 5 Ca -0.02 -0.16 -0.45 0.00 -0.05 0.00 0.00 57.45 56.77 1sqb n PHE 5 Cb 0.33 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.82 1sqb n PHE 5 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1sqb s LEU 6 N -1.28 6.16 -0.00 4.37 1.43 -1.14 -4.77 118.68 123.44 1sqb s LEU 6 Ca 0.27 -1.97 -0.30 0.00 -1.03 0.00 0.00 54.13 51.10 1sqb s LEU 6 Cb 0.14 -2.16 0.11 0.00 0.03 0.00 0.00 46.19 44.31 1sqb s LEU 6 CO 0.20 -0.77 1.17 -0.83 0.23 0.00 0.00 176.35 176.35 1sqb s GLY 7 N 3.14 -0.35 0.29 -3.19 0.00 -1.26 -5.06 107.32 100.89 1sqb s GLY 7 Ca 0.06 0.72 0.03 0.00 0.00 0.00 0.00 44.72 45.53 1sqb s GLY 7 CO 0.00 0.17 1.77 -2.55 0.00 0.00 0.00 173.10 172.50 1sqb h PRO 8 N 2.00 0.69 -0.65 2.90 0.11 -2.00 -1.74 132.00 133.31 1sqb h PRO 8 Ca -0.25 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.80 1sqb h PRO 8 Cb 1.21 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 32.13 1sqb h PRO 8 CO 0.27 0.46 0.34 -0.09 -0.21 0.00 0.00 178.00 178.77 1sqb h ARG 9 N 0.72 0.93 -0.20 1.05 2.43 -1.97 -2.03 114.38 115.30 1sqb h ARG 9 Ca 0.53 -0.12 -0.14 0.00 -0.81 0.00 0.00 59.98 59.44 1sqb h ARG 9 Cb 0.78 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.15 1sqb h ARG 9 CO -0.37 0.72 -0.45 1.88 -1.51 0.00 0.00 179.97 180.23 1sqb h TYR 10 N 0.90 0.60 -0.70 2.20 0.05 -1.63 0.30 116.97 118.68 1sqb h TYR 10 Ca 0.23 -0.18 -0.05 0.00 0.05 0.00 0.00 58.73 58.77 1sqb h TYR 10 Cb 0.08 -0.12 -0.03 0.00 1.01 0.00 0.00 36.73 37.66 1sqb h TYR 10 CO -0.00 0.86 0.23 0.00 -1.05 0.00 0.00 178.16 178.20 1sqb h ARG 11 N 0.40 1.07 -0.32 4.88 3.08 -1.30 0.11 114.38 122.31 1sqb h ARG 11 Ca 0.03 -0.22 -0.04 0.00 0.07 0.00 0.00 59.98 59.82 1sqb h ARG 11 Cb 0.95 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.82 1sqb h ARG 11 CO 0.08 0.91 0.04 1.96 -1.07 0.00 0.00 179.97 181.90 1sqb h GLN 12 N 1.04 0.53 -0.34 0.04 4.20 -0.81 -1.68 115.11 118.09 1sqb h GLN 12 Ca 0.23 -0.15 -0.05 0.00 0.06 0.00 0.00 58.65 58.74 1sqb h GLN 12 Cb 0.28 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 1sqb h GLN 12 CO -0.01 0.63 -0.00 1.25 -0.67 0.00 0.00 178.83 180.03 1sqb h LEU 13 N 0.35 0.50 -0.14 1.46 6.46 -0.05 0.07 115.31 123.97 1sqb h LEU 13 Ca 0.10 -0.10 -0.06 0.00 -0.12 0.00 0.00 57.88 57.70 1sqb h LEU 13 Cb 0.36 -0.13 -0.00 0.00 -0.73 0.00 0.00 40.66 40.16 1sqb h LEU 13 CO 0.01 0.57 -0.13 0.00 -0.62 0.00 0.00 178.44 178.27 1sqb h ALA 14 N 1.49 0.20 -0.27 1.25 0.00 -0.74 -2.97 119.26 118.23 1sqb h ALA 14 Ca 0.11 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1sqb h ALA 14 Cb 0.34 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1sqb h ALA 14 CO 0.01 0.07 0.15 -0.09 0.00 0.00 0.00 179.25 179.40 1sqb h ARG 15 N -0.04 0.36 -0.19 0.00 2.43 -0.67 -0.90 114.38 115.36 1sqb h ARG 15 Ca 0.02 -0.03 -0.16 0.00 -0.81 0.00 0.00 59.98 59.00 1sqb h ARG 15 Cb 0.66 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 1sqb h ARG 15 CO 0.03 0.26 -0.56 -0.91 -1.51 0.00 0.00 179.97 177.28 1sqb h ASN 16 N 0.36 0.64 -0.00 -3.80 -0.26 -1.02 -3.27 115.58 108.23 1sqb h ASN 16 Ca 0.10 -0.35 0.00 0.00 -0.56 0.00 0.00 56.30 55.49 1sqb h ASN 16 Cb -0.00 -0.18 0.00 0.00 -1.06 0.00 0.00 38.32 37.07 1sqb h ASN 16 CO -0.02 1.07 -0.17 0.79 -1.06 0.00 0.00 177.43 178.04 1sqb n TRP 17 N -3.95 0.00 -0.04 1.19 7.02 -0.89 -4.59 117.44 116.17 1sqb n TRP 17 Ca -0.03 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 56.33 1sqb n TRP 17 Cb 0.61 -0.01 -0.06 0.00 -2.42 0.00 0.00 31.31 29.44 1sqb n TRP 17 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 1sqb h VAL 18 N 3.43 1.19 -0.82 -0.99 2.07 -1.23 -0.14 116.25 119.76 1sqb h VAL 18 Ca 0.00 -0.59 -0.00 0.00 0.82 0.00 0.00 66.70 66.93 1sqb h VAL 18 Cb 0.82 1.30 -0.04 0.00 -1.52 0.00 0.00 31.29 31.85 1sqb h VAL 18 CO 0.00 0.18 0.51 -0.65 0.02 0.00 0.00 177.57 177.63 1sqb h PRO 19 N 0.05 1.10 0.00 1.57 0.11 -1.81 -0.62 132.00 132.41 1sqb h PRO 19 Ca 0.05 -0.09 -0.00 0.00 0.11 0.00 0.00 66.00 66.07 1sqb h PRO 19 Cb 0.24 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1sqb h PRO 19 CO -0.00 0.76 -0.00 1.15 -0.21 0.00 0.00 178.00 179.70 1sqb h THR 20 N 1.13 1.11 0.00 -1.15 2.02 -1.82 -0.76 112.91 113.44 1sqb h THR 20 Ca 0.30 -0.34 -0.05 0.00 0.77 0.00 0.00 66.41 67.09 1sqb h THR 20 Cb -0.07 1.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 1sqb h THR 20 CO -0.06 0.09 -0.24 0.00 0.37 0.00 0.00 175.52 175.68 1sqb h ALA 21 N 0.85 1.23 -0.04 6.16 0.00 -0.81 -1.19 119.26 125.46 1sqb h ALA 21 Ca -0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1sqb h ALA 21 Cb 0.15 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1sqb h ALA 21 CO 0.00 0.30 -0.02 0.37 0.00 0.00 0.00 179.25 179.90 1sqb h GLN 22 N 0.00 0.08 -0.01 0.00 -0.00 -0.92 -3.03 115.11 111.23 1sqb h GLN 22 Ca -0.00 -0.04 -0.07 0.00 -0.00 0.00 0.00 58.65 58.54 1sqb h GLN 22 Cb 0.57 -0.00 -0.01 0.00 0.00 0.00 0.00 27.48 28.04 1sqb h GLN 22 CO 0.03 0.50 -0.32 -0.07 0.00 0.00 0.00 178.83 178.97 1sqb h LEU 23 N -0.34 0.02 -1.02 -2.39 3.38 -0.61 -1.19 115.31 113.17 1sqb h LEU 23 Ca 0.01 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1sqb h LEU 23 Cb 0.48 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1sqb h LEU 23 CO 0.01 0.35 -0.47 -0.50 0.09 0.00 0.00 178.44 177.91 1sqb h TRP 24 N 0.02 0.00 -0.45 1.13 -0.00 -1.32 -1.49 115.95 113.85 1sqb h TRP 24 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 58.89 58.82 1sqb h TRP 24 Cb 0.58 0.00 -0.02 0.00 -0.00 0.00 0.00 29.16 29.73 1sqb h TRP 24 CO 0.00 0.47 -0.01 0.78 -0.00 0.00 0.00 178.44 179.68 1sqb h GLY 25 N 1.55 0.86 0.99 1.49 0.00 -1.10 -1.01 103.07 105.85 1sqb h GLY 25 Ca -0.00 -0.64 -0.01 0.00 0.00 0.00 0.00 47.33 46.67 1sqb h GLY 25 CO 0.06 0.59 0.29 0.00 0.00 0.00 0.00 176.54 177.49 1sqb h ALA 26 N 0.90 0.66 -0.40 3.60 0.00 -1.23 0.08 119.26 122.88 1sqb h ALA 26 Ca 0.12 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1sqb h ALA 26 Cb 0.51 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1sqb h ALA 26 CO 0.03 0.17 0.20 0.28 0.00 0.00 0.00 179.25 179.93 1sqb h VAL 27 N 0.69 0.98 -0.34 0.00 2.07 -1.19 -1.41 116.25 117.05 1sqb h VAL 27 Ca 0.18 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 1sqb h VAL 27 Cb 0.03 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 1sqb h VAL 27 CO -0.03 0.07 0.17 1.23 0.02 0.00 0.00 177.57 179.04 1sqb h GLY 28 N 0.41 0.52 0.72 2.17 0.00 -0.97 -1.14 103.07 104.78 1sqb h GLY 28 Ca 0.17 -0.25 -0.03 0.00 0.00 0.00 0.00 47.33 47.21 1sqb h GLY 28 CO -0.11 0.24 -0.33 0.00 0.00 0.00 0.00 176.54 176.34 1sqb h ALA 29 N 1.03 -0.91 -0.63 3.60 0.00 -0.76 0.15 119.26 121.73 1sqb h ALA 29 Ca 0.12 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.87 1sqb h ALA 29 Cb 0.10 0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 1sqb h ALA 29 CO -0.02 -0.87 0.42 0.28 0.00 0.00 0.00 179.25 179.06 1sqb h VAL 30 N -1.20 1.04 -0.11 0.00 2.07 -1.37 0.26 116.25 116.93 1sqb h VAL 30 Ca -0.09 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 1sqb h VAL 30 Cb 0.72 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1sqb h VAL 30 CO 0.15 0.12 0.06 1.23 0.02 0.00 0.00 177.57 179.16 1sqb h GLY 31 N 0.67 0.17 0.89 2.17 0.00 -1.08 -0.23 103.07 105.67 1sqb h GLY 31 Ca 0.26 -0.08 -0.04 0.00 0.00 0.00 0.00 47.33 47.47 1sqb h GLY 31 CO -0.08 0.07 0.03 -2.00 0.00 0.00 0.00 176.54 174.56 1sqb h LEU 32 N 0.08 0.53 -0.28 3.11 5.85 0.49 -2.18 115.31 122.90 1sqb h LEU 32 Ca 0.04 -0.28 0.04 0.00 0.84 0.00 0.00 57.88 58.51 1sqb h LEU 32 Cb 0.08 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 1sqb h LEU 32 CO -0.01 0.68 0.07 0.58 -0.34 0.00 0.00 178.44 179.42 1sqb h VAL 33 N 0.35 0.89 -0.47 1.05 2.07 -0.43 -2.04 116.25 117.67 1sqb h VAL 33 Ca 0.09 -0.06 -0.08 0.00 0.82 0.00 0.00 66.70 67.47 1sqb h VAL 33 Cb 0.39 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 1sqb h VAL 33 CO 0.01 0.03 -0.03 -0.25 0.02 0.00 0.00 177.57 177.35 1sqb h TRP 34 N 0.18 0.94 -0.03 1.57 7.01 -1.07 -2.24 115.95 122.32 1sqb h TRP 34 Ca 0.13 -0.18 -0.12 0.00 2.11 0.00 0.00 58.89 60.83 1sqb h TRP 34 Cb 0.12 -0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 26.92 1sqb h TRP 34 CO -0.15 0.91 -0.53 0.00 -2.79 0.00 0.00 178.44 175.88 1sqb h ALA 35 N 0.91 1.06 0.00 2.65 0.00 -1.19 -3.17 119.26 119.52 1sqb h ALA 35 Ca 0.13 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1sqb h ALA 35 Cb 0.55 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1sqb h ALA 35 CO 0.03 0.67 -0.94 0.25 0.00 0.00 0.00 179.25 179.26 1sqb n THR 36 N -3.92 0.10 -3.65 0.00 -2.24 -0.78 -4.98 114.28 98.81 1sqb n THR 36 Ca -0.02 -0.16 -0.22 0.00 -2.27 0.00 0.00 64.05 61.39 1sqb n THR 36 Cb 0.55 0.36 0.06 0.00 -2.10 0.00 0.00 70.33 69.20 1sqb n THR 36 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1sqb n ASP 37 N -1.79 -3.01 -4.56 3.42 8.00 -0.93 -4.89 116.55 112.80 1sqb n ASP 37 Ca 0.03 -0.71 -0.25 0.00 0.71 0.00 0.00 54.79 54.57 1sqb n ASP 37 Cb 0.40 -4.50 -0.05 0.00 -0.02 0.00 0.00 41.12 36.95 1sqb n ASP 37 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1sqb s SER 38 N -3.98 4.33 0.34 -2.24 0.15 -0.89 -4.84 113.70 106.56 1sqb s SER 38 Ca 0.23 0.37 0.08 0.00 0.70 0.00 0.00 55.95 57.33 1sqb s SER 38 Cb -0.11 -2.53 0.80 0.00 -1.71 0.00 0.00 66.02 62.47 1sqb s SER 38 CO 0.78 -3.28 1.83 0.08 1.20 0.00 0.00 173.24 173.85 1sqb h ARG 39 N 15.26 0.69 -0.69 5.44 -0.00 -1.90 -1.98 114.38 131.21 1sqb h ARG 39 Ca -0.10 -0.04 0.12 0.00 -0.00 0.00 0.00 59.98 59.96 1sqb h ARG 39 Cb 1.11 -0.16 -0.09 0.00 -0.00 0.00 0.00 29.97 30.84 1sqb h ARG 39 CO 1.10 0.46 0.24 1.25 -0.00 0.00 0.00 179.97 183.02 1sqb h LEU 40 N 0.71 0.20 0.18 0.08 5.85 -2.01 -0.77 115.31 119.56 1sqb h LEU 40 Ca 0.51 0.10 -0.34 0.00 0.84 0.00 0.00 57.88 58.99 1sqb h LEU 40 Cb 0.84 0.10 0.01 0.00 0.37 0.00 0.00 40.66 41.97 1sqb h LEU 40 CO -0.27 0.09 -1.68 0.40 -0.34 0.00 0.00 178.44 176.64 1sqb h ILE 41 N 0.40 0.98 0.00 4.05 5.03 -1.93 -3.37 117.51 122.66 1sqb h ILE 41 Ca 0.37 -2.51 0.00 0.00 -0.12 0.00 0.00 64.86 62.60 1sqb h ILE 41 Cb 0.53 2.79 0.00 0.00 -3.03 0.00 0.00 36.82 37.11 1sqb h ILE 41 CO -0.38 0.84 0.00 0.18 -0.68 0.00 0.00 178.15 178.10 1sqb n LEU 42 N -3.65 0.68 0.27 1.44 4.77 -0.76 -2.23 117.00 117.52 1sqb n LEU 42 Ca -0.24 0.66 0.18 0.00 -0.03 0.00 0.00 56.01 56.57 1sqb n LEU 42 Cb 1.05 -0.55 0.78 0.00 -2.33 0.00 0.00 43.42 42.37 1sqb n LEU 42 CO 0.51 -0.52 1.01 0.44 -1.33 0.00 0.00 177.39 177.50 1sqb h ASP 43 N 0.00 0.00 0.76 -1.43 5.19 -1.32 -3.16 116.42 116.47 1sqb h ASP 43 Ca 0.00 0.00 -0.24 0.00 -0.62 0.00 0.00 57.03 56.17 1sqb h ASP 43 Cb 0.40 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.87 1sqb h ASP 43 CO 0.00 0.00 -1.34 -0.50 -3.12 0.00 0.00 179.24 174.28 1sqb h TRP 44 N 0.00 0.00 -3.34 4.55 -0.00 -1.70 -3.47 115.95 111.98 1sqb h TRP 44 Ca 0.00 0.00 -0.56 0.00 -0.00 0.00 0.00 58.89 58.33 1sqb h TRP 44 Cb 0.36 0.00 -0.05 0.00 -0.00 0.00 0.00 29.16 29.47 1sqb h TRP 44 CO 0.00 0.93 0.32 0.14 -0.00 0.00 0.00 178.44 179.83 1sqb s VAL 45 N -2.69 4.91 0.10 1.49 -7.23 -1.19 -5.02 120.40 110.76 1sqb s VAL 45 Ca -0.02 1.75 -0.32 0.00 -1.81 0.00 0.00 61.98 61.58 1sqb s VAL 45 Cb 0.09 -4.18 -0.14 0.00 0.56 0.00 0.00 36.38 32.71 1sqb s VAL 45 CO 0.82 0.13 1.60 -0.65 -0.31 0.00 0.00 175.10 176.68 1sqb h PRO 46 N 6.99 -0.76 0.00 4.82 0.11 -1.91 -2.07 132.00 139.18 1sqb h PRO 46 Ca -0.36 0.05 -0.17 0.00 0.11 0.00 0.00 66.00 65.63 1sqb h PRO 46 Cb 1.18 0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.43 1sqb h PRO 46 CO 0.79 -0.51 -0.81 -0.92 -0.21 0.00 0.00 178.00 176.35 1sqb h TYR 47 N -0.79 0.00 0.00 0.65 5.03 -1.97 -3.26 116.97 116.63 1sqb h TYR 47 Ca -0.03 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.28 1sqb h TYR 47 Cb 0.71 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.99 1sqb h TYR 47 CO -0.23 0.81 0.00 0.82 -1.32 0.00 0.00 178.16 178.24 1sqb h ILE 48 N 0.00 0.00 -0.70 1.81 5.03 -1.89 -3.34 117.51 118.42 1sqb h ILE 48 Ca -0.01 -0.59 0.20 0.00 -0.12 0.00 0.00 64.86 64.34 1sqb h ILE 48 Cb 1.53 1.55 -0.03 0.00 -3.03 0.00 0.00 36.82 36.84 1sqb h ILE 48 CO 0.11 0.00 0.69 0.78 -0.68 0.00 0.00 178.15 179.04 1sqb h ASN 49 N 0.00 0.00 -0.20 1.72 -0.26 -1.42 -3.41 115.58 112.01 1sqb h ASN 49 Ca 0.00 0.00 -0.04 0.00 -0.56 0.00 0.00 56.30 55.70 1sqb h ASN 49 Cb 0.72 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.97 1sqb h ASN 49 CO 0.00 0.00 0.11 -0.83 -1.06 0.00 0.00 177.43 175.65 1sqb s GLY 50 N -3.81 -0.98 -0.40 2.83 0.00 -1.26 -4.54 107.32 99.17 1sqb s GLY 50 Ca -0.04 -1.34 0.10 0.00 0.00 0.00 0.00 44.72 43.44 1sqb s GLY 50 CO 0.58 4.23 1.12 0.58 0.00 0.00 0.00 173.10 179.62 1sqb n LYS 51 N 8.35 1.10 -2.00 2.90 2.85 -1.26 -5.13 118.16 124.98 1sqb n LYS 51 Ca 0.43 -2.33 -0.41 0.00 -1.05 0.00 0.00 58.31 54.95 1sqb n LYS 51 Cb 0.46 -0.79 -0.03 0.00 -0.65 0.00 0.00 35.03 34.02 1sqb n LYS 51 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 1sqb s PHE 52 N -0.73 1.73 -0.29 5.58 0.08 -1.26 -5.23 117.98 117.87 1sqb s PHE 52 Ca 0.25 0.74 0.00 0.00 0.12 0.00 0.00 56.93 58.04 1sqb s PHE 52 Cb 0.37 -4.09 0.00 0.00 -0.57 0.00 0.00 43.02 38.73 1sqb s PHE 52 CO -0.05 -2.67 0.07 1.63 -0.10 0.00 0.00 175.22 174.10