#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mon s GLU 2 N 0.00 3.53 -0.03 1.61 2.12 -1.23 -4.85 118.70 119.85 3mon s GLU 2 Ca 0.00 1.94 0.02 0.00 0.36 0.00 0.00 54.97 57.29 3mon s GLU 2 Cb 0.00 -2.35 0.01 0.00 0.26 0.00 0.00 34.13 32.05 3mon s GLU 2 CO 0.00 -0.79 -0.08 -1.58 -0.54 0.00 0.00 175.26 172.27 3mon s TRP 3 N -1.46 0.90 -0.08 5.30 0.52 -1.26 -1.52 118.94 121.34 3mon s TRP 3 Ca 0.67 -0.24 -0.17 0.00 0.02 0.00 0.00 56.10 56.38 3mon s TRP 3 Cb -0.33 -0.67 0.04 0.00 -1.15 0.00 0.00 33.47 31.36 3mon s TRP 3 CO 0.39 -0.12 0.40 -1.83 0.02 0.00 0.00 176.95 175.81 3mon s GLU 4 N 0.37 0.64 -0.35 4.98 -1.05 0.19 -4.97 118.70 118.50 3mon s GLU 4 Ca -0.06 0.19 -0.29 0.00 -0.15 0.00 0.00 54.97 54.66 3mon s GLU 4 Cb -0.10 0.30 0.00 0.00 -0.44 0.00 0.00 34.13 33.89 3mon s GLU 4 CO 0.01 -0.15 1.39 0.42 0.95 0.00 0.00 175.26 177.87 3mon s ILE 5 N -0.66 3.98 0.34 1.83 1.01 -1.26 -0.47 121.20 125.98 3mon s ILE 5 Ca -0.08 1.06 0.07 0.00 0.00 0.00 0.00 60.65 61.70 3mon s ILE 5 Cb -0.04 -4.14 -0.01 0.00 0.01 0.00 0.00 42.46 38.29 3mon s ILE 5 CO 0.03 -0.59 0.46 0.27 0.00 0.00 0.00 174.94 175.11 3mon s ILE 6 N 4.97 3.97 0.12 2.92 -4.36 -0.62 -4.96 121.20 123.25 3mon s ILE 6 Ca 0.60 -1.02 -0.09 0.00 -0.26 0.00 0.00 60.65 59.87 3mon s ILE 6 Cb -0.16 -3.37 -0.06 0.00 1.25 0.00 0.00 42.46 40.12 3mon s ILE 6 CO 0.28 -0.15 0.43 -0.62 0.24 0.00 0.00 174.94 175.12 3mon s ASP 7 N -4.17 6.63 -1.19 4.36 2.15 -1.26 -4.10 116.67 119.09 3mon s ASP 7 Ca 0.45 0.80 -0.11 0.00 0.43 0.00 0.00 52.55 54.12 3mon s ASP 7 Cb -0.09 -2.18 -0.07 0.00 -0.30 0.00 0.00 42.92 40.28 3mon s ASP 7 CO 0.31 0.10 2.34 2.30 -0.17 0.00 0.00 175.17 180.05 3mon n ILE 8 N 0.57 3.03 -3.16 4.11 -5.35 -1.26 -4.45 119.36 112.85 3mon n ILE 8 Ca -0.05 -2.07 -0.17 0.00 -0.27 0.00 0.00 62.75 60.19 3mon n ILE 8 Cb 0.52 -2.39 0.05 0.00 -1.74 0.00 0.00 39.64 36.08 3mon n ILE 8 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3mon n GLY 9 N 3.92 2.09 0.55 3.28 0.00 -1.26 -4.88 105.19 108.89 3mon n GLY 9 Ca 0.56 -2.22 0.39 0.00 0.00 0.00 0.00 46.02 44.76 3mon n GLY 9 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3mon h PRO 10 N 0.00 0.07 -0.02 1.61 0.13 -1.99 0.53 132.00 132.33 3mon h PRO 10 Ca -0.23 -0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.76 3mon h PRO 10 Cb 1.02 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.12 3mon h PRO 10 CO 0.34 0.05 -0.61 0.35 -0.23 0.00 0.00 178.00 177.90 3mon h PHE 11 N 0.07 0.09 0.00 1.56 3.57 -1.92 0.36 116.94 120.66 3mon h PHE 11 Ca 0.74 -0.03 -0.16 0.00 3.53 0.00 0.00 57.97 62.06 3mon h PHE 11 Cb 2.69 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 41.39 3mon h PHE 11 CO -0.00 0.65 -0.74 1.15 -2.23 0.00 0.00 178.31 177.14 3mon h THR 12 N 0.05 1.30 0.05 4.41 2.02 -0.18 -3.05 112.91 117.51 3mon h THR 12 Ca -0.01 -2.77 -0.00 0.00 0.77 0.00 0.00 66.41 64.41 3mon h THR 12 Cb 1.08 2.60 0.00 0.00 -1.74 0.00 0.00 68.15 70.09 3mon h THR 12 CO 0.08 0.73 -0.02 1.56 0.37 0.00 0.00 175.52 178.24 3mon h GLN 13 N 0.00 -0.06 -0.78 6.66 1.08 -0.46 -2.57 115.11 118.98 3mon h GLN 13 Ca -0.01 0.00 0.18 0.00 -1.45 0.00 0.00 58.65 57.37 3mon h GLN 13 Cb 1.54 0.01 -0.11 0.00 -0.05 0.00 0.00 27.48 28.87 3mon h GLN 13 CO 0.10 0.20 0.23 -0.91 -0.95 0.00 0.00 178.83 177.50 3mon h ASN 14 N -0.32 0.09 -0.76 1.46 2.35 -1.14 0.19 115.58 117.46 3mon h ASN 14 Ca -0.01 0.15 0.04 0.00 -0.55 0.00 0.00 56.30 55.93 3mon h ASN 14 Cb 0.29 0.18 -0.05 0.00 0.05 0.00 0.00 38.32 38.79 3mon h ASN 14 CO 0.01 -0.03 0.48 -0.07 -1.65 0.00 0.00 177.43 176.17 3mon h LEU 15 N 0.31 0.78 -0.41 1.61 3.38 -1.36 -0.41 115.31 119.20 3mon h LEU 15 Ca 0.45 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.39 3mon h LEU 15 Cb 0.80 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 3mon h LEU 15 CO -0.52 0.53 0.11 1.23 0.09 0.00 0.00 178.44 179.88 3mon h GLY 16 N 0.92 0.69 0.39 0.83 0.00 -0.64 -1.05 103.07 104.21 3mon h GLY 16 Ca 0.31 -0.42 0.06 0.00 0.00 0.00 0.00 47.33 47.27 3mon h GLY 16 CO -0.12 0.40 -0.09 0.50 0.00 0.00 0.00 176.54 177.22 3mon h LYS 17 N 0.52 -0.03 -0.77 4.80 1.57 -0.01 0.06 116.57 122.71 3mon h LYS 17 Ca 0.13 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.95 3mon h LYS 17 Cb 0.29 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.56 3mon h LYS 17 CO -0.00 -0.02 0.48 0.35 -0.57 0.00 0.00 179.45 179.69 3mon h PHE 18 N -0.03 0.89 0.27 -1.35 3.04 -0.89 -1.89 116.94 116.98 3mon h PHE 18 Ca 0.14 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.12 3mon h PHE 18 Cb 0.24 -0.29 -0.02 0.00 2.56 0.00 0.00 35.95 38.44 3mon h PHE 18 CO -0.29 0.49 -0.27 0.00 -2.02 0.00 0.00 178.31 176.22 3mon h ALA 19 N 1.34 -0.57 0.50 2.41 0.00 0.31 -0.81 119.26 122.45 3mon h ALA 19 Ca 0.31 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3mon h ALA 19 Cb 0.06 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3mon h ALA 19 CO -0.13 -0.85 -0.42 0.28 0.00 0.00 0.00 179.25 178.13 3mon h VAL 20 N -0.58 0.16 -0.98 0.00 2.07 -1.15 -0.66 116.25 115.11 3mon h VAL 20 Ca -0.01 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.61 3mon h VAL 20 Cb 0.53 0.16 -0.08 0.00 -1.52 0.00 0.00 31.29 30.39 3mon h VAL 20 CO -0.06 0.00 0.63 0.44 0.02 0.00 0.00 177.57 178.60 3mon h ASP 21 N -0.91 0.94 0.98 0.57 3.32 -1.28 0.18 116.42 120.22 3mon h ASP 21 Ca -0.05 0.03 -0.06 0.00 0.02 0.00 0.00 57.03 56.97 3mon h ASP 21 Cb 0.78 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 3mon h ASP 21 CO -0.02 0.54 -0.27 -0.33 -1.72 0.00 0.00 179.24 177.44 3mon h GLU 22 N 1.03 0.00 -0.16 3.56 4.39 -0.96 -2.06 114.58 120.38 3mon h GLU 22 Ca 0.46 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.94 3mon h GLU 22 Cb 0.37 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.03 3mon h GLU 22 CO -0.22 0.27 -0.76 1.49 -1.16 0.00 0.00 179.01 178.64 3mon h GLU 23 N 0.00 0.79 -0.46 2.33 4.57 0.81 -2.92 114.58 119.71 3mon h GLU 23 Ca -0.00 -0.64 0.13 0.00 -1.18 0.00 0.00 59.36 57.67 3mon h GLU 23 Cb 0.84 0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 29.54 3mon h GLU 23 CO 0.04 1.25 0.45 -0.91 -1.18 0.00 0.00 179.01 178.65 3mon h ASN 24 N 0.53 0.00 0.95 1.04 2.35 -0.06 0.63 115.58 121.01 3mon h ASN 24 Ca -0.05 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.61 3mon h ASN 24 Cb 1.39 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.74 3mon h ASN 24 CO 0.16 0.00 -0.43 0.11 -1.65 0.00 0.00 177.43 175.62 3mon h LYS 25 N 0.00 0.00 0.00 0.81 1.57 -1.28 -3.29 116.57 114.38 3mon h LYS 25 Ca 0.22 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.68 3mon h LYS 25 Cb 1.11 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.36 3mon h LYS 25 CO -0.00 0.43 -2.16 -0.89 -0.57 0.00 0.00 179.45 176.26 3mon n ILE 26 N -3.49 1.35 -0.91 1.86 5.41 0.21 -5.02 119.36 118.77 3mon n ILE 26 Ca 0.00 -0.82 0.00 0.00 1.00 0.00 0.00 62.75 62.94 3mon n ILE 26 Cb 0.57 -0.58 0.00 0.00 -0.71 0.00 0.00 39.64 38.92 3mon n ILE 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3mon n GLY 27 N 1.66 0.31 0.33 7.39 0.00 -0.57 -4.88 105.19 109.43 3mon n GLY 27 Ca -0.26 0.00 0.10 0.00 0.00 0.00 0.00 46.02 45.86 3mon n GLY 27 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3mon h GLN 28 N 0.77 0.00 0.00 1.61 5.75 -1.94 0.29 115.11 121.59 3mon h GLN 28 Ca 0.00 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.49 3mon h GLN 28 Cb 0.36 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.89 3mon h GLN 28 CO 0.00 0.00 -0.24 0.66 -2.65 0.00 0.00 178.83 176.60 3mon n TYR 29 N -2.75 0.00 0.00 3.99 4.02 -1.26 -5.08 117.16 116.08 3mon n TYR 29 Ca -0.01 -0.92 0.00 0.00 -0.01 0.00 0.00 57.90 56.96 3mon n TYR 29 Cb 0.58 -0.15 0.00 0.00 -0.02 0.00 0.00 39.34 39.74 3mon n TYR 29 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3mon n GLY 30 N -1.04 1.65 3.03 2.72 0.00 0.10 -4.73 105.19 106.93 3mon n GLY 30 Ca 0.14 -0.07 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 3mon n GLY 30 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3mon s ARG 31 N 0.00 0.19 0.01 1.61 6.06 -1.26 -4.48 118.95 121.07 3mon s ARG 31 Ca 0.00 0.41 0.06 0.00 -2.50 0.00 0.00 55.73 53.70 3mon s ARG 31 Cb 0.00 -0.06 -0.02 0.00 0.06 0.00 0.00 34.95 34.93 3mon s ARG 31 CO 0.00 -0.12 -0.17 -0.51 -2.50 0.00 0.00 175.30 172.00 3mon s LEU 32 N 0.87 2.09 -0.23 -0.88 1.43 -1.26 -5.11 118.68 115.59 3mon s LEU 32 Ca -0.06 -0.38 -0.10 0.00 -1.03 0.00 0.00 54.13 52.56 3mon s LEU 32 Cb -0.08 -0.85 -0.05 0.00 0.03 0.00 0.00 46.19 45.24 3mon s LEU 32 CO -0.05 0.17 0.13 0.28 0.23 0.00 0.00 176.35 177.11 3mon s THR 33 N -0.57 5.15 0.26 5.49 -1.32 -1.26 -4.89 115.64 118.50 3mon s THR 33 Ca 0.06 0.10 -0.30 0.00 -1.21 0.00 0.00 61.69 60.34 3mon s THR 33 Cb -0.07 -3.39 -0.11 0.00 -1.51 0.00 0.00 72.50 67.42 3mon s THR 33 CO 0.00 0.37 1.57 0.12 -2.21 0.00 0.00 174.62 174.47 3mon s PHE 34 N 0.99 2.85 0.00 9.09 5.36 -1.26 -4.98 117.98 130.03 3mon s PHE 34 Ca 0.07 0.77 0.00 0.00 -0.96 0.00 0.00 56.93 56.81 3mon s PHE 34 Cb -0.13 -4.01 0.00 0.00 -0.34 0.00 0.00 43.02 38.53 3mon s PHE 34 CO 0.04 -3.47 0.00 0.09 -1.46 0.00 0.00 175.22 170.42 3mon n ASN 35 N 2.54 0.00 -3.58 6.13 5.03 -1.26 -5.15 115.26 118.97 3mon n ASN 35 Ca 0.09 0.00 -0.15 0.00 0.87 0.00 0.00 54.58 55.39 3mon n ASN 35 Cb 0.38 -0.04 -0.06 0.00 -1.02 0.00 0.00 39.78 39.04 3mon n ASN 35 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.26 173.84 3mon s LYS 36 N -0.53 1.00 -0.07 3.52 -2.85 -1.26 -5.13 119.74 114.42 3mon s LYS 36 Ca 0.00 -0.13 -0.17 0.00 -1.00 0.00 0.00 55.97 54.67 3mon s LYS 36 Cb 0.00 0.46 -0.05 0.00 -2.06 0.00 0.00 37.83 36.18 3mon s LYS 36 CO 0.00 -0.34 0.46 0.08 0.10 0.00 0.00 175.35 175.65 3mon s VAL 37 N -2.05 5.11 0.48 1.79 1.01 -1.26 -5.09 120.40 120.39 3mon s VAL 37 Ca -0.07 0.94 0.08 0.00 0.00 0.00 0.00 61.98 62.92 3mon s VAL 37 Cb -0.01 -3.79 0.02 0.00 0.00 0.00 0.00 36.38 32.60 3mon s VAL 37 CO 0.01 0.41 0.49 0.27 0.00 0.00 0.00 175.10 176.29 3mon s ILE 38 N 0.02 2.32 0.23 2.22 -4.36 -1.26 -5.00 121.20 115.37 3mon s ILE 38 Ca 0.25 -1.27 -0.19 0.00 -0.26 0.00 0.00 60.65 59.19 3mon s ILE 38 Cb -0.16 -2.59 -0.08 0.00 1.25 0.00 0.00 42.46 40.88 3mon s ILE 38 CO 0.12 0.00 0.71 -0.13 0.24 0.00 0.00 174.94 175.88 3mon s ARG 39 N -4.31 4.19 0.22 0.37 0.52 -1.26 -4.27 118.95 114.41 3mon s ARG 39 Ca 0.48 0.81 -0.19 0.00 -0.52 0.00 0.00 55.73 56.31 3mon s ARG 39 Cb -0.04 -2.81 -0.08 0.00 0.52 0.00 0.00 34.95 32.54 3mon s ARG 39 CO 0.29 0.36 0.71 -1.25 0.02 0.00 0.00 175.30 175.43 3mon s PRO 40 N -2.14 4.23 -0.08 3.54 0.04 -1.26 -5.20 135.00 134.13 3mon s PRO 40 Ca 0.44 0.84 0.00 0.00 0.04 0.00 0.00 61.00 62.33 3mon s PRO 40 Cb -0.15 -2.88 -0.03 0.00 0.04 0.00 0.00 34.50 31.48 3mon s PRO 40 CO 0.20 0.40 -0.07 0.00 0.04 0.00 0.00 177.00 177.57 3mon s MET 42 N -0.55 0.54 -0.01 0.00 1.75 -1.26 -1.58 119.30 118.18 3mon s MET 42 Ca 0.08 -0.03 0.05 0.00 -1.25 0.00 0.00 55.69 54.54 3mon s MET 42 Cb -0.12 -0.62 -0.03 0.00 2.84 0.00 0.00 34.83 36.90 3mon s MET 42 CO 0.02 -0.08 -0.14 -1.59 -0.65 0.00 0.00 175.02 172.57 3mon s LYS 43 N 0.85 2.37 -0.15 4.11 -2.85 0.38 -4.92 119.74 119.53 3mon s LYS 43 Ca -0.10 -0.79 0.00 0.00 -1.00 0.00 0.00 55.97 54.08 3mon s LYS 43 Cb -0.13 -2.34 0.02 0.00 -2.06 0.00 0.00 37.83 33.33 3mon s LYS 43 CO -0.01 0.59 -0.13 0.21 0.10 0.00 0.00 175.35 176.12 3mon s LYS 44 N -1.09 2.17 -0.06 1.78 2.20 -1.26 -0.64 119.74 122.84 3mon s LYS 44 Ca 0.14 -0.55 -0.16 0.00 -0.36 0.00 0.00 55.97 55.04 3mon s LYS 44 Cb -0.11 -2.07 -0.05 0.00 -1.51 0.00 0.00 37.83 34.09 3mon s LYS 44 CO 0.03 -0.26 0.43 0.99 -0.36 0.00 0.00 175.35 176.18 3mon s THR 45 N 1.51 5.10 -0.17 3.43 2.01 -0.57 -4.89 115.64 122.06 3mon s THR 45 Ca 0.04 0.87 -0.03 0.00 0.31 0.00 0.00 61.69 62.89 3mon s THR 45 Cb -0.13 -3.75 -0.02 0.00 0.01 0.00 0.00 72.50 68.61 3mon s THR 45 CO -0.10 0.46 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.60 3mon s ILE 46 N -0.29 3.47 -0.13 1.82 1.01 -1.26 -1.77 121.20 124.05 3mon s ILE 46 Ca 0.24 -0.49 0.15 0.00 0.00 0.00 0.00 60.65 60.55 3mon s ILE 46 Cb -0.16 -2.53 -0.22 0.00 0.01 0.00 0.00 42.46 39.57 3mon s ILE 46 CO 0.12 0.47 0.13 -1.22 0.00 0.00 0.00 174.94 174.43 3mon n TYR 47 N 4.02 0.00 -3.56 3.97 4.01 -1.26 -4.91 117.16 119.42 3mon n TYR 47 Ca -0.18 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.55 3mon n TYR 47 Cb 0.52 -0.72 -0.05 0.00 -0.31 0.00 0.00 39.34 38.77 3mon n TYR 47 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 3mon s GLU 48 N -2.57 0.44 -0.09 -0.72 -6.30 -1.26 -5.15 118.70 103.04 3mon s GLU 48 Ca -0.08 0.93 -0.02 0.00 -2.50 0.00 0.00 54.97 53.31 3mon s GLU 48 Cb 0.06 0.38 -0.03 0.00 0.00 0.00 0.00 34.13 34.54 3mon s GLU 48 CO 0.68 -0.12 -0.02 1.21 0.02 0.00 0.00 175.26 177.03 3mon s ASN 49 N 2.09 5.01 0.00 -1.70 3.84 -1.26 -5.01 114.94 117.90 3mon s ASN 49 Ca -0.06 0.05 0.25 0.00 0.21 0.00 0.00 52.86 53.30 3mon s ASN 49 Cb -0.06 -1.45 1.46 0.00 -0.55 0.00 0.00 41.25 40.65 3mon s ASN 49 CO -0.17 0.34 1.83 1.21 -2.79 0.00 0.00 177.10 177.51