#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 3.83 0.10 1.61 2.12 -1.22 -4.85 118.70 120.28 3mon s GLU 2 Ca 0.00 0.75 0.03 0.00 0.36 0.00 0.00 54.97 56.11 3mon s GLU 2 Cb 0.00 -2.21 -0.04 0.00 0.26 0.00 0.00 34.13 32.14 3mon s GLU 2 CO 0.00 -0.25 -0.08 -1.58 -0.54 0.00 0.00 175.26 172.81 3mon s TRP 3 N -2.65 0.97 -0.17 5.30 0.52 -1.26 -1.35 118.94 120.30 3mon s TRP 3 Ca 0.56 -0.78 -0.30 0.00 0.02 0.00 0.00 56.10 55.59 3mon s TRP 3 Cb -0.10 -0.54 0.14 0.00 -1.15 0.00 0.00 33.47 31.82 3mon s TRP 3 CO 0.35 -0.07 1.07 -1.83 0.02 0.00 0.00 176.95 176.50 3mon s GLU 4 N -3.33 0.50 0.11 4.98 -1.05 -0.88 -5.00 118.70 114.03 3mon s GLU 4 Ca 0.09 0.03 -0.24 0.00 -0.15 0.00 0.00 54.97 54.70 3mon s GLU 4 Cb 0.01 0.23 -0.07 0.00 -0.44 0.00 0.00 34.13 33.86 3mon s GLU 4 CO -0.02 -0.17 0.73 0.42 0.95 0.00 0.00 175.26 177.16 3mon s ILE 5 N -1.51 4.55 0.16 1.83 1.01 -1.26 -0.75 121.20 125.23 3mon s ILE 5 Ca 0.02 1.58 0.11 0.00 0.00 0.00 0.00 60.65 62.36 3mon s ILE 5 Cb -0.01 -4.08 -0.04 0.00 0.01 0.00 0.00 42.46 38.34 3mon s ILE 5 CO -0.02 0.48 -0.24 0.27 0.00 0.00 0.00 174.94 175.43 3mon s ILE 6 N -0.81 2.40 0.12 2.92 -4.36 -0.42 -4.88 121.20 116.16 3mon s ILE 6 Ca 0.35 -1.87 -0.12 0.00 -0.26 0.00 0.00 60.65 58.75 3mon s ILE 6 Cb -0.22 -2.11 -0.06 0.00 1.25 0.00 0.00 42.46 41.32 3mon s ILE 6 CO 0.24 -0.02 0.48 -0.62 0.24 0.00 0.00 174.94 175.25 3mon s ASP 7 N -2.41 6.73 0.00 4.36 2.15 -1.26 -4.07 116.67 122.17 3mon s ASP 7 Ca 0.18 0.94 -0.00 0.00 0.43 0.00 0.00 52.55 54.10 3mon s ASP 7 Cb -0.09 -2.23 -0.00 0.00 -0.30 0.00 0.00 42.92 40.29 3mon s ASP 7 CO 0.09 0.13 0.50 2.30 -0.17 0.00 0.00 175.17 178.01 3mon n ILE 8 N 0.83 0.47 -1.10 4.11 -5.35 -1.26 -4.78 119.36 112.28 3mon n ILE 8 Ca -0.06 -0.13 -0.30 0.00 -0.27 0.00 0.00 62.75 61.99 3mon n ILE 8 Cb 0.52 -1.14 0.23 0.00 -1.74 0.00 0.00 39.64 37.51 3mon n ILE 8 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3mon s GLY 9 N 2.03 1.58 0.47 3.28 0.00 -1.26 -4.68 107.32 108.74 3mon s GLY 9 Ca 0.01 -0.81 0.26 0.00 0.00 0.00 0.00 44.72 44.18 3mon s GLY 9 CO 0.00 0.01 1.83 -0.56 0.00 0.00 0.00 173.10 174.38 3mon h PRO 10 N -2.43 0.19 -0.41 2.90 0.13 -1.99 -2.00 132.00 128.39 3mon h PRO 10 Ca -0.47 -0.01 0.06 0.00 -0.87 0.00 0.00 66.00 64.70 3mon h PRO 10 Cb 1.30 -0.04 -0.05 0.00 0.13 0.00 0.00 31.00 32.34 3mon h PRO 10 CO 0.40 0.13 0.11 0.35 -0.23 0.00 0.00 178.00 178.76 3mon h PHE 11 N 0.20 0.19 0.00 1.56 3.57 -1.93 0.68 116.94 121.21 3mon h PHE 11 Ca 0.51 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 62.00 3mon h PHE 11 Cb 1.66 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 40.37 3mon h PHE 11 CO -0.00 0.05 -0.20 1.15 -2.23 0.00 0.00 178.31 177.08 3mon h THR 12 N 0.25 1.10 -0.24 4.41 2.02 -1.67 -2.03 112.91 116.75 3mon h THR 12 Ca 0.20 -0.68 -0.17 0.00 0.77 0.00 0.00 66.41 66.53 3mon h THR 12 Cb 0.21 1.37 0.00 0.00 -1.74 0.00 0.00 68.15 68.00 3mon h THR 12 CO -0.23 0.19 -0.51 1.56 0.37 0.00 0.00 175.52 176.90 3mon h GLN 13 N 0.00 0.77 -0.45 6.66 1.08 -0.72 -2.09 115.11 120.37 3mon h GLN 13 Ca -0.00 -0.51 -0.06 0.00 -1.45 0.00 0.00 58.65 56.63 3mon h GLN 13 Cb 0.35 0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.84 3mon h GLN 13 CO 0.03 1.13 0.06 -0.91 -0.95 0.00 0.00 178.83 178.19 3mon h ASN 14 N 0.51 0.72 -0.99 1.46 2.35 -0.81 -2.38 115.58 116.44 3mon h ASN 14 Ca 0.00 -0.27 0.20 0.00 -0.55 0.00 0.00 56.30 55.68 3mon h ASN 14 Cb 1.12 -0.19 -0.11 0.00 0.05 0.00 0.00 38.32 39.19 3mon h ASN 14 CO 0.11 0.81 0.59 -0.07 -1.65 0.00 0.00 177.43 177.23 3mon h LEU 15 N 0.61 0.74 -1.14 1.61 3.38 -1.24 0.14 115.31 119.41 3mon h LEU 15 Ca 0.13 0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.17 3mon h LEU 15 Cb 0.41 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 3mon h LEU 15 CO 0.01 0.23 0.14 1.23 0.09 0.00 0.00 178.44 180.14 3mon h GLY 16 N 0.71 0.80 0.73 0.83 0.00 -0.99 -1.43 103.07 103.72 3mon h GLY 16 Ca 0.59 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 47.46 3mon h GLY 16 CO -0.41 0.41 -0.24 0.50 0.00 0.00 0.00 176.54 176.81 3mon h LYS 17 N 0.73 -0.63 -0.61 4.80 1.57 -0.27 -2.11 116.57 120.03 3mon h LYS 17 Ca 0.17 0.04 0.07 0.00 -1.87 0.00 0.00 60.65 59.06 3mon h LYS 17 Cb 0.24 0.14 -0.10 0.00 0.08 0.00 0.00 32.23 32.60 3mon h LYS 17 CO -0.01 -0.33 -0.53 0.35 -0.57 0.00 0.00 179.45 178.37 3mon h PHE 18 N -0.94 -1.62 -0.76 -1.35 3.57 -1.29 0.10 116.94 114.65 3mon h PHE 18 Ca -0.07 0.09 0.15 0.00 3.53 0.00 0.00 57.97 61.68 3mon h PHE 18 Cb 0.60 0.79 -0.14 0.00 2.79 0.00 0.00 35.95 39.99 3mon h PHE 18 CO 0.01 -0.44 -0.22 0.00 -2.23 0.00 0.00 178.31 175.42 3mon h ALA 19 N 0.31 0.42 -0.50 2.41 0.00 -1.22 0.28 119.26 120.96 3mon h ALA 19 Ca 0.13 0.28 -0.12 0.00 0.00 0.00 0.00 54.91 55.21 3mon h ALA 19 Cb 0.54 0.64 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 3mon h ALA 19 CO -0.72 -0.46 -0.14 0.28 0.00 0.00 0.00 179.25 178.21 3mon h VAL 20 N -0.02 1.27 -0.29 0.00 2.07 -0.50 -1.21 116.25 117.57 3mon h VAL 20 Ca 0.35 -1.29 -0.14 0.00 0.82 0.00 0.00 66.70 66.44 3mon h VAL 20 Cb 0.57 1.07 -0.00 0.00 -1.52 0.00 0.00 31.29 31.40 3mon h VAL 20 CO -0.79 0.45 -0.37 0.44 0.02 0.00 0.00 177.57 177.31 3mon h ASP 21 N 0.83 0.83 -0.14 0.57 3.32 0.45 0.68 116.42 122.97 3mon h ASP 21 Ca 0.12 -0.50 -0.11 0.00 0.02 0.00 0.00 57.03 56.57 3mon h ASP 21 Cb 0.71 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 3mon h ASP 21 CO 0.05 1.16 -0.26 -0.33 -1.72 0.00 0.00 179.24 178.15 3mon h GLU 22 N 0.52 0.60 -0.19 3.56 4.39 -0.48 -2.26 114.58 120.73 3mon h GLU 22 Ca 0.04 -0.24 -0.13 0.00 0.34 0.00 0.00 59.36 59.37 3mon h GLU 22 Cb 0.96 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.57 3mon h GLU 22 CO 0.09 0.80 -0.43 1.49 -1.16 0.00 0.00 179.01 179.80 3mon h GLU 23 N 0.52 0.47 0.00 2.33 4.57 -1.10 -2.49 114.58 118.88 3mon h GLU 23 Ca 0.07 -0.24 -0.00 0.00 -1.18 0.00 0.00 59.36 58.01 3mon h GLU 23 Cb 0.72 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.32 3mon h GLU 23 CO 0.06 0.81 -0.01 -0.91 -1.18 0.00 0.00 179.01 177.78 3mon h ASN 24 N 0.38 0.00 1.37 1.04 2.35 -0.27 0.20 115.58 120.64 3mon h ASN 24 Ca 0.03 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.73 3mon h ASN 24 Cb 0.92 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.28 3mon h ASN 24 CO 0.08 0.01 -0.23 0.11 -1.65 0.00 0.00 177.43 175.74 3mon h LYS 25 N 0.00 0.00 -0.01 0.81 1.57 -1.14 -3.30 116.57 114.50 3mon h LYS 25 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3mon h LYS 25 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 3mon h LYS 25 CO 0.00 0.23 -0.04 -0.89 -0.57 0.00 0.00 179.45 178.18 3mon n ILE 26 N -3.24 0.00 -0.11 1.86 5.41 0.69 -4.98 119.36 118.99 3mon n ILE 26 Ca 0.02 -0.21 0.00 0.00 1.00 0.00 0.00 62.75 63.56 3mon n ILE 26 Cb 0.53 0.40 0.00 0.00 -0.71 0.00 0.00 39.64 39.87 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 1.19 0.00 0.40 7.39 0.00 -1.14 -4.73 105.19 108.31 3mon n GLY 27 Ca 0.18 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.41 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 0.00 0.00 0.00 1.61 5.75 -1.94 0.16 115.11 120.69 3mon h GLN 28 Ca 0.00 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.46 3mon h GLN 28 Cb 0.04 0.00 -0.08 0.00 1.07 0.00 0.00 27.48 28.51 3mon h GLN 28 CO 0.00 0.00 -0.49 0.66 -2.65 0.00 0.00 178.83 176.35 3mon n TYR 29 N -3.70 0.00 -3.29 3.99 4.02 -1.26 -5.10 117.16 111.82 3mon n TYR 29 Ca 0.09 -1.06 0.00 0.00 -0.01 0.00 0.00 57.90 56.91 3mon n TYR 29 Cb 0.68 -0.19 0.00 0.00 -0.02 0.00 0.00 39.34 39.81 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 -0.78 1.18 3.28 2.72 0.00 0.57 -4.74 105.19 107.42 3mon n GLY 30 Ca 0.14 -0.71 -0.32 0.00 0.00 0.00 0.00 46.02 45.14 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 2.62 0.09 1.61 6.06 -1.26 -4.44 118.95 123.62 3mon s ARG 31 Ca 0.00 -0.89 0.10 0.00 -2.50 0.00 0.00 55.73 52.44 3mon s ARG 31 Cb 0.00 -2.20 -0.03 0.00 0.06 0.00 0.00 34.95 32.77 3mon s ARG 31 CO 0.00 0.37 -0.26 -0.51 -2.50 0.00 0.00 175.30 172.40 3mon s LEU 32 N -0.14 2.24 -0.13 -0.88 1.43 -1.26 -5.13 118.68 114.82 3mon s LEU 32 Ca -0.04 -0.66 -0.03 0.00 -1.03 0.00 0.00 54.13 52.36 3mon s LEU 32 Cb -0.14 -1.23 -0.03 0.00 0.03 0.00 0.00 46.19 44.82 3mon s LEU 32 CO 0.04 0.21 -0.00 0.28 0.23 0.00 0.00 176.35 177.11 3mon s THR 33 N -0.93 4.22 0.30 5.49 -1.32 -1.26 -4.97 115.64 117.17 3mon s THR 33 Ca 0.12 -0.26 -0.29 0.00 -1.21 0.00 0.00 61.69 60.05 3mon s THR 33 Cb -0.10 -2.82 -0.10 0.00 -1.51 0.00 0.00 72.50 67.97 3mon s THR 33 CO 0.04 0.54 1.32 0.12 -2.21 0.00 0.00 174.62 174.43 3mon s PHE 34 N -0.23 3.09 0.00 9.09 5.36 -1.26 -4.99 117.98 129.05 3mon s PHE 34 Ca 0.05 1.34 0.00 0.00 -0.96 0.00 0.00 56.93 57.36 3mon s PHE 34 Cb -0.12 -3.67 0.00 0.00 -0.34 0.00 0.00 43.02 38.88 3mon s PHE 34 CO 0.02 -1.93 0.00 0.09 -1.46 0.00 0.00 175.22 171.94 3mon n ASN 35 N 1.30 0.02 -3.61 6.13 5.03 -1.26 -5.17 115.26 117.70 3mon n ASN 35 Ca 0.02 0.00 -0.07 0.00 0.87 0.00 0.00 54.58 55.40 3mon n ASN 35 Cb 0.42 -0.01 -0.05 0.00 -1.02 0.00 0.00 39.78 39.12 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 -1.02 0.39 -0.05 3.52 -2.85 -1.26 -5.15 119.74 113.32 3mon s LYS 36 Ca 0.00 0.15 -0.12 0.00 -1.00 0.00 0.00 55.97 55.00 3mon s LYS 36 Cb 0.00 0.18 -0.05 0.00 -2.06 0.00 0.00 37.83 35.90 3mon s LYS 36 CO 0.00 -0.11 0.30 0.08 0.10 0.00 0.00 175.35 175.72 3mon s VAL 37 N -0.86 5.22 0.24 1.79 1.01 -1.26 -5.08 120.40 121.47 3mon s VAL 37 Ca 0.03 0.58 0.09 0.00 0.00 0.00 0.00 61.98 62.68 3mon s VAL 37 Cb -0.01 -3.59 -0.05 0.00 0.00 0.00 0.00 36.38 32.73 3mon s VAL 37 CO -0.03 0.60 -0.15 0.27 0.00 0.00 0.00 175.10 175.78 3mon s ILE 38 N -1.05 2.01 0.45 2.22 -4.36 -1.26 -4.99 121.20 114.22 3mon s ILE 38 Ca 0.20 -2.27 -0.24 0.00 -0.26 0.00 0.00 60.65 58.08 3mon s ILE 38 Cb -0.15 -2.20 -0.08 0.00 1.25 0.00 0.00 42.46 41.28 3mon s ILE 38 CO 0.10 -0.48 1.22 -0.13 0.24 0.00 0.00 174.94 175.88 3mon s ARG 39 N -3.60 3.79 0.68 0.37 0.52 -1.26 -4.42 118.95 115.03 3mon s ARG 39 Ca 0.26 1.92 -0.03 0.00 -0.52 0.00 0.00 55.73 57.37 3mon s ARG 39 Cb -0.02 -2.52 0.09 0.00 0.52 0.00 0.00 34.95 33.02 3mon s ARG 39 CO 0.11 -0.56 0.95 -1.25 0.02 0.00 0.00 175.30 174.56 3mon s PRO 40 N -2.54 2.01 -0.01 3.54 0.04 -1.26 -5.19 135.00 131.59 3mon s PRO 40 Ca 0.62 -0.75 -0.04 0.00 0.04 0.00 0.00 61.00 60.86 3mon s PRO 40 Cb -0.32 -2.31 -0.00 0.00 0.04 0.00 0.00 34.50 31.91 3mon s PRO 40 CO 0.40 -1.23 0.09 0.00 0.04 0.00 0.00 177.00 176.30 3mon s MET 42 N -0.94 0.07 -0.08 0.00 0.00 -1.26 -1.31 119.30 115.79 3mon s MET 42 Ca -0.10 0.43 0.04 0.00 0.00 0.00 0.00 55.69 56.06 3mon s MET 42 Cb -0.06 -0.21 0.00 0.00 0.00 0.00 0.00 34.83 34.56 3mon s MET 42 CO 0.00 -0.21 -0.21 -1.59 0.00 0.00 0.00 175.02 173.01 3mon s LYS 43 N 1.53 2.59 -0.04 4.11 0.00 0.07 -4.89 119.74 123.10 3mon s LYS 43 Ca -0.05 -0.77 0.00 0.00 0.00 0.00 0.00 55.97 55.15 3mon s LYS 43 Cb -0.12 -2.04 -0.03 0.00 0.00 0.00 0.00 37.83 35.64 3mon s LYS 43 CO -0.06 0.19 -0.02 0.21 0.00 0.00 0.00 175.35 175.67 3mon s LYS 44 N 0.28 2.81 -0.08 1.78 2.20 -1.26 -2.08 119.74 123.39 3mon s LYS 44 Ca -0.14 -0.54 -0.01 0.00 -0.36 0.00 0.00 55.97 54.91 3mon s LYS 44 Cb -0.16 -2.67 -0.03 0.00 -1.51 0.00 0.00 37.83 33.46 3mon s LYS 44 CO 0.06 0.66 -0.01 0.99 -0.36 0.00 0.00 175.35 176.69 3mon s THR 45 N -0.94 4.20 -0.21 3.43 2.01 -0.46 -4.95 115.64 118.71 3mon s THR 45 Ca 0.15 -0.29 0.02 0.00 0.31 0.00 0.00 61.69 61.88 3mon s THR 45 Cb -0.11 -2.76 0.04 0.00 0.01 0.00 0.00 72.50 69.68 3mon s THR 45 CO 0.05 0.60 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.80 3mon s ILE 46 N -0.84 2.02 0.07 1.82 1.01 -1.26 0.71 121.20 124.72 3mon s ILE 46 Ca 0.13 -1.16 0.01 0.00 0.00 0.00 0.00 60.65 59.62 3mon s ILE 46 Cb -0.11 -1.96 -0.04 0.00 0.01 0.00 0.00 42.46 40.36 3mon s ILE 46 CO 0.02 0.30 0.18 -0.31 0.00 0.00 0.00 174.94 175.13 3mon s TYR 47 N 1.25 3.44 -0.09 3.97 1.51 -1.26 -4.94 117.35 121.23 3mon s TYR 47 Ca -0.00 0.21 -0.04 0.00 -1.01 0.00 0.00 57.07 56.22 3mon s TYR 47 Cb -0.16 -1.73 -0.02 0.00 -0.11 0.00 0.00 41.96 39.94 3mon s TYR 47 CO -0.10 0.57 0.28 -1.91 -1.11 0.00 0.00 175.55 173.29 3mon n GLU 48 N 0.31 0.00 -2.99 -0.62 2.13 -1.26 -4.80 120.64 113.40 3mon n GLU 48 Ca -0.06 0.00 -0.44 0.00 0.66 0.00 0.00 57.16 57.32 3mon n GLU 48 Cb 0.51 -0.17 -0.00 0.00 0.27 0.00 0.00 31.44 32.05 3mon n GLU 48 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 3mon s ASN 49 N 0.87 7.06 0.00 4.31 0.01 -1.26 -5.28 114.94 120.65 3mon s ASN 49 Ca 0.15 -2.99 0.00 0.00 -0.71 0.00 0.00 52.86 49.31 3mon s ASN 49 Cb -0.16 -2.38 0.00 0.00 0.41 0.00 0.00 41.25 39.12 3mon s ASN 49 CO 0.07 -0.72 0.00 -1.84 -1.51 0.00 0.00 177.10 173.10