#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 0.51 -0.07 1.61 -6.30 -1.22 -4.89 118.70 108.34 3mon s GLU 2 Ca 0.00 1.41 -0.08 0.00 -2.50 0.00 0.00 54.97 53.80 3mon s GLU 2 Cb 0.00 -1.68 0.02 0.00 0.00 0.00 0.00 34.13 32.47 3mon s GLU 2 CO 0.00 -2.94 0.22 -1.58 0.02 0.00 0.00 175.26 170.98 3mon s TRP 3 N -2.59 -0.21 0.14 5.30 0.52 -1.26 -3.35 118.94 117.49 3mon s TRP 3 Ca 0.67 0.50 -0.21 0.00 0.02 0.00 0.00 56.10 57.08 3mon s TRP 3 Cb -0.24 0.07 0.06 0.00 -1.15 0.00 0.00 33.47 32.21 3mon s TRP 3 CO 0.60 -0.15 0.55 -1.83 0.02 0.00 0.00 176.95 176.14 3mon s GLU 4 N -0.10 1.21 0.30 4.98 -1.05 -1.16 -4.99 118.70 117.89 3mon s GLU 4 Ca -0.02 -0.51 -0.03 0.00 -0.15 0.00 0.00 54.97 54.26 3mon s GLU 4 Cb -0.02 0.55 -0.04 0.00 -0.44 0.00 0.00 34.13 34.18 3mon s GLU 4 CO 0.01 -0.51 0.53 0.42 0.95 0.00 0.00 175.26 176.65 3mon s ILE 5 N -3.68 5.08 0.10 1.83 1.01 -1.26 -0.64 121.20 123.63 3mon s ILE 5 Ca 0.01 -0.16 -0.00 0.00 0.00 0.00 0.00 60.65 60.50 3mon s ILE 5 Cb -0.00 -3.77 -0.04 0.00 0.01 0.00 0.00 42.46 38.65 3mon s ILE 5 CO -0.12 -0.38 -0.00 0.27 0.00 0.00 0.00 174.94 174.71 3mon s ILE 6 N -2.13 0.35 -0.01 2.92 -4.36 0.11 -4.84 121.20 113.24 3mon s ILE 6 Ca 0.42 -1.89 -0.14 0.00 -0.26 0.00 0.00 60.65 58.77 3mon s ILE 6 Cb -0.10 -1.82 -0.06 0.00 1.25 0.00 0.00 42.46 41.74 3mon s ILE 6 CO 0.32 -0.72 0.39 -0.62 0.24 0.00 0.00 174.94 174.55 3mon s ASP 7 N -3.03 6.78 -0.45 4.36 2.15 -1.26 -4.15 116.67 121.07 3mon s ASP 7 Ca 0.16 0.93 -0.05 0.00 0.43 0.00 0.00 52.55 54.02 3mon s ASP 7 Cb 0.07 -2.24 -0.10 0.00 -0.30 0.00 0.00 42.92 40.35 3mon s ASP 7 CO -0.03 0.32 2.20 2.30 -0.17 0.00 0.00 175.17 179.79 3mon n ILE 8 N 1.90 2.07 -1.56 4.11 -5.35 -1.26 -4.47 119.36 114.80 3mon n ILE 8 Ca -0.14 -1.15 -0.05 0.00 -0.27 0.00 0.00 62.75 61.13 3mon n ILE 8 Cb 0.52 -1.96 0.04 0.00 -1.74 0.00 0.00 39.64 36.50 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 3.23 -0.56 0.00 3.28 0.00 -1.26 -4.70 105.19 105.18 3mon n GLY 9 Ca 0.34 -1.78 0.01 0.00 0.00 0.00 0.00 46.02 44.60 3mon n GLY 9 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3mon n PRO 10 N -1.50 0.01 0.03 1.61 -0.04 -1.26 -1.16 135.00 132.68 3mon n PRO 10 Ca 0.03 0.40 -0.10 0.00 -0.04 0.00 0.00 63.50 63.79 3mon n PRO 10 Cb 0.12 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.00 3mon n PRO 10 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 3mon h PHE 11 N 0.00 -0.16 -0.30 0.54 3.57 -1.91 -2.68 116.94 116.00 3mon h PHE 11 Ca 0.00 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.43 3mon h PHE 11 Cb 0.03 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 3mon h PHE 11 CO 0.00 0.30 -0.10 1.15 -2.23 0.00 0.00 178.31 177.43 3mon h THR 12 N -0.87 1.22 0.00 4.41 2.02 -1.36 -2.28 112.91 116.05 3mon h THR 12 Ca -0.02 -0.98 -0.04 0.00 0.77 0.00 0.00 66.41 66.14 3mon h THR 12 Cb 0.54 1.11 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 3mon h THR 12 CO 0.03 0.32 -0.21 1.56 0.37 0.00 0.00 175.52 177.60 3mon h GLN 13 N 0.47 0.00 -0.22 6.66 1.08 -1.28 -2.02 115.11 119.80 3mon h GLN 13 Ca 0.09 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.27 3mon h GLN 13 Cb 0.47 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.89 3mon h GLN 13 CO 0.03 0.21 0.07 -0.91 -0.95 0.00 0.00 178.83 177.27 3mon h ASN 14 N 0.00 0.32 0.57 1.46 4.21 -1.05 -2.29 115.58 118.80 3mon h ASN 14 Ca -0.00 -0.20 0.00 0.00 1.21 0.00 0.00 56.30 57.31 3mon h ASN 14 Cb 0.37 -0.08 0.00 0.00 -1.12 0.00 0.00 38.32 37.48 3mon h ASN 14 CO 0.03 0.44 0.00 -0.07 -1.29 0.00 0.00 177.43 176.53 3mon h LEU 15 N 0.19 0.00 0.68 1.61 3.38 -1.26 -1.44 115.31 118.47 3mon h LEU 15 Ca 0.07 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 3mon h LEU 15 Cb 0.23 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.99 3mon h LEU 15 CO -0.00 0.00 -0.33 1.23 0.09 0.00 0.00 178.44 179.43 3mon h GLY 16 N 1.28 -0.96 0.07 0.83 0.00 -0.85 -2.67 103.07 100.78 3mon h GLY 16 Ca 0.00 0.35 0.07 0.00 0.00 0.00 0.00 47.33 47.75 3mon h GLY 16 CO 0.00 -0.35 -0.25 0.50 0.00 0.00 0.00 176.54 176.44 3mon h LYS 17 N -1.05 -0.22 -0.60 4.80 1.57 -0.96 -1.23 116.57 118.88 3mon h LYS 17 Ca -0.09 0.02 0.11 0.00 -1.87 0.00 0.00 60.65 58.82 3mon h LYS 17 Cb 0.70 0.05 -0.09 0.00 0.08 0.00 0.00 32.23 32.97 3mon h LYS 17 CO 0.15 -0.15 0.12 0.35 -0.57 0.00 0.00 179.45 179.36 3mon h PHE 18 N -0.23 0.19 -0.42 -1.35 3.04 -1.40 -1.21 116.94 115.55 3mon h PHE 18 Ca 0.15 0.04 -0.02 0.00 3.98 0.00 0.00 57.97 62.13 3mon h PHE 18 Cb 0.47 0.01 -0.02 0.00 2.56 0.00 0.00 35.95 38.97 3mon h PHE 18 CO -0.43 -0.04 0.20 0.00 -2.02 0.00 0.00 178.31 176.03 3mon h ALA 19 N 1.49 0.54 0.23 2.41 0.00 -0.87 -1.19 119.26 121.86 3mon h ALA 19 Ca 0.32 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3mon h ALA 19 Cb 0.48 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3mon h ALA 19 CO -0.41 0.10 -0.11 0.28 0.00 0.00 0.00 179.25 179.11 3mon h VAL 20 N 0.54 0.83 -0.54 0.00 2.07 -1.03 -1.21 116.25 116.92 3mon h VAL 20 Ca 0.15 -0.36 0.10 0.00 0.82 0.00 0.00 66.70 67.41 3mon h VAL 20 Cb 0.12 1.04 -0.08 0.00 -1.52 0.00 0.00 31.29 30.84 3mon h VAL 20 CO -0.02 0.08 0.04 0.44 0.02 0.00 0.00 177.57 178.14 3mon h ASP 21 N -0.49 -0.14 -0.47 0.57 3.32 -1.14 -0.88 116.42 117.19 3mon h ASP 21 Ca -0.03 0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 3mon h ASP 21 Cb 0.37 0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.09 3mon h ASP 21 CO 0.05 -0.05 0.25 -0.33 -1.72 0.00 0.00 179.24 177.44 3mon h GLU 22 N 0.16 0.71 -0.50 3.56 4.39 -1.14 -1.66 114.58 120.11 3mon h GLU 22 Ca 0.28 -0.08 -0.12 0.00 0.34 0.00 0.00 59.36 59.78 3mon h GLU 22 Cb 0.42 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.91 3mon h GLU 22 CO -0.42 0.55 -0.15 1.49 -1.16 0.00 0.00 179.01 179.33 3mon h GLU 23 N 0.71 0.96 0.00 2.33 4.57 -0.09 -3.25 114.58 119.81 3mon h GLU 23 Ca 0.18 -0.36 -0.01 0.00 -1.18 0.00 0.00 59.36 57.98 3mon h GLU 23 Cb 0.07 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.61 3mon h GLU 23 CO -0.02 1.03 -0.06 -0.91 -1.18 0.00 0.00 179.01 177.86 3mon h ASN 24 N 0.84 0.00 1.10 1.04 2.35 -0.22 0.26 115.58 120.96 3mon h ASN 24 Ca 0.13 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.83 3mon h ASN 24 Cb 0.70 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.06 3mon h ASN 24 CO 0.05 0.06 -0.24 0.11 -1.65 0.00 0.00 177.43 175.77 3mon h LYS 25 N 0.00 0.00 -0.27 0.81 1.57 -1.56 -3.18 116.57 113.95 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 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 3mon h LYS 25 CO 0.01 0.24 0.00 -0.89 -0.57 0.00 0.00 179.45 178.24 3mon n ILE 26 N -3.32 1.49 -0.58 1.86 5.41 0.69 -5.03 119.36 119.87 3mon n ILE 26 Ca 0.01 -1.37 -0.00 0.00 1.00 0.00 0.00 62.75 62.39 3mon n ILE 26 Cb 0.48 0.20 -0.00 0.00 -0.71 0.00 0.00 39.64 39.61 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 -0.03 0.06 0.45 7.39 0.00 0.14 -4.79 105.19 108.41 3mon n GLY 27 Ca 0.14 -0.01 0.26 0.00 0.00 0.00 0.00 46.02 46.42 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 5.54 0.16 -0.81 1.61 5.75 -1.92 0.98 115.11 126.41 3mon h GLN 28 Ca 0.00 -0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.47 3mon h GLN 28 Cb 0.10 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.60 3mon h GLN 28 CO 0.15 0.11 0.03 0.66 -2.65 0.00 0.00 178.83 177.12 3mon n TYR 29 N -4.38 1.07 0.00 3.99 4.01 -1.26 -5.01 117.16 115.58 3mon n TYR 29 Ca 0.21 -0.43 0.00 0.00 -0.16 0.00 0.00 57.90 57.52 3mon n TYR 29 Cb 0.92 -0.33 0.00 0.00 -0.31 0.00 0.00 39.34 39.62 3mon n TYR 29 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3mon n GLY 30 N 0.25 1.65 3.39 2.72 0.00 0.34 -4.73 105.19 108.81 3mon n GLY 30 Ca 0.15 -0.31 -0.15 0.00 0.00 0.00 0.00 46.02 45.71 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 0.76 0.00 1.61 6.06 -1.26 -4.56 118.95 121.56 3mon s ARG 31 Ca 0.00 0.30 0.01 0.00 -2.50 0.00 0.00 55.73 53.55 3mon s ARG 31 Cb 0.00 0.36 -0.01 0.00 0.06 0.00 0.00 34.95 35.36 3mon s ARG 31 CO 0.00 -0.18 -0.04 -0.51 -2.50 0.00 0.00 175.30 172.07 3mon s LEU 32 N -0.65 2.05 -0.25 -0.88 1.43 -1.26 -5.13 118.68 113.98 3mon s LEU 32 Ca -0.07 -0.15 -0.20 0.00 -1.03 0.00 0.00 54.13 52.67 3mon s LEU 32 Cb -0.03 -0.18 -0.02 0.00 0.03 0.00 0.00 46.19 45.99 3mon s LEU 32 CO 0.04 0.00 0.63 0.28 0.23 0.00 0.00 176.35 177.54 3mon s THR 33 N -0.31 4.98 0.61 5.49 -1.32 -1.26 -4.93 115.64 118.91 3mon s THR 33 Ca -0.01 1.14 -0.19 0.00 -1.21 0.00 0.00 61.69 61.43 3mon s THR 33 Cb -0.03 -3.94 -0.03 0.00 -1.51 0.00 0.00 72.50 67.00 3mon s THR 33 CO -0.00 0.03 1.28 0.12 -2.21 0.00 0.00 174.62 173.84 3mon s PHE 34 N 2.50 2.21 0.08 9.09 2.19 -1.26 -4.97 117.98 127.82 3mon s PHE 34 Ca 0.26 1.47 0.00 0.00 0.33 0.00 0.00 56.93 59.00 3mon s PHE 34 Cb -0.15 -3.65 0.00 0.00 -1.31 0.00 0.00 43.02 37.90 3mon s PHE 34 CO 0.08 -2.71 0.00 0.09 1.83 0.00 0.00 175.22 174.51 3mon n ASN 35 N -1.64 0.17 -3.67 6.13 5.03 -1.26 -5.16 115.26 114.86 3mon n ASN 35 Ca 0.14 0.13 -0.01 0.00 0.87 0.00 0.00 54.58 55.71 3mon n ASN 35 Cb 0.48 0.02 -0.01 0.00 -1.02 0.00 0.00 39.78 39.25 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 -2.00 0.75 -0.18 3.52 -2.85 -1.26 -5.14 119.74 112.58 3mon s LYS 36 Ca 0.00 -0.41 -0.07 0.00 -1.00 0.00 0.00 55.97 54.50 3mon s LYS 36 Cb 0.00 0.26 -0.04 0.00 -2.06 0.00 0.00 37.83 36.00 3mon s LYS 36 CO 0.00 -0.34 0.04 0.08 0.10 0.00 0.00 175.35 175.23 3mon s VAL 37 N -2.83 4.60 0.34 1.79 1.01 -1.26 -5.07 120.40 118.98 3mon s VAL 37 Ca 0.13 -0.10 0.07 0.00 0.00 0.00 0.00 61.98 62.08 3mon s VAL 37 Cb 0.02 -3.07 -0.03 0.00 0.00 0.00 0.00 36.38 33.30 3mon s VAL 37 CO -0.02 0.46 0.29 0.27 0.00 0.00 0.00 175.10 176.11 3mon s ILE 38 N 0.42 3.51 0.38 2.22 -4.36 -1.26 -4.99 121.20 117.12 3mon s ILE 38 Ca 0.02 -1.38 -0.14 0.00 -0.26 0.00 0.00 60.65 58.89 3mon s ILE 38 Cb -0.13 -3.18 -0.08 0.00 1.25 0.00 0.00 42.46 40.32 3mon s ILE 38 CO 0.01 -0.17 0.79 -0.13 0.24 0.00 0.00 174.94 175.67 3mon s ARG 39 N -3.99 3.92 0.42 0.37 0.52 -1.26 -4.58 118.95 114.36 3mon s ARG 39 Ca 0.41 0.64 -0.07 0.00 -0.52 0.00 0.00 55.73 56.19 3mon s ARG 39 Cb -0.06 -2.37 -0.05 0.00 0.52 0.00 0.00 34.95 33.00 3mon s ARG 39 CO 0.26 0.02 0.74 -1.25 0.02 0.00 0.00 175.30 175.10 3mon s PRO 40 N -3.45 3.63 -0.17 3.54 0.04 -1.26 -5.17 135.00 132.15 3mon s PRO 40 Ca 0.54 0.23 -0.01 0.00 0.04 0.00 0.00 61.00 61.81 3mon s PRO 40 Cb -0.10 -2.43 0.04 0.00 0.04 0.00 0.00 34.50 32.05 3mon s PRO 40 CO 0.24 -0.08 -0.04 0.00 0.04 0.00 0.00 177.00 177.16 3mon s MET 42 N 1.63 3.78 -0.21 0.00 1.75 -1.26 -0.71 119.30 124.28 3mon s MET 42 Ca -0.00 0.24 -0.04 0.00 -1.25 0.00 0.00 55.69 54.65 3mon s MET 42 Cb -0.16 -2.64 0.11 0.00 2.84 0.00 0.00 34.83 34.97 3mon s MET 42 CO -0.07 0.30 0.28 -1.59 -0.65 0.00 0.00 175.02 173.28 3mon s LYS 43 N -2.91 0.25 0.27 4.11 0.00 0.18 -4.87 119.74 116.77 3mon s LYS 43 Ca 0.47 0.35 -0.25 0.00 0.00 0.00 0.00 55.97 56.54 3mon s LYS 43 Cb -0.11 -0.90 -0.09 0.00 0.00 0.00 0.00 37.83 36.73 3mon s LYS 43 CO 0.22 -0.63 0.87 0.21 0.00 0.00 0.00 175.35 176.01 3mon s LYS 44 N 2.41 4.51 -0.10 1.78 2.20 -1.26 -2.98 119.74 126.29 3mon s LYS 44 Ca 0.09 1.20 0.03 0.00 -0.36 0.00 0.00 55.97 56.92 3mon s LYS 44 Cb -0.15 -2.91 0.01 0.00 -1.51 0.00 0.00 37.83 33.26 3mon s LYS 44 CO -0.13 0.36 -0.19 0.99 -0.36 0.00 0.00 175.35 176.02 3mon s THR 45 N -1.51 1.73 0.13 3.43 2.01 -1.21 -5.02 115.64 115.19 3mon s THR 45 Ca 0.46 -0.81 0.03 0.00 0.31 0.00 0.00 61.69 61.68 3mon s THR 45 Cb -0.19 -1.53 -0.04 0.00 0.01 0.00 0.00 72.50 70.75 3mon s THR 45 CO 0.24 0.49 0.19 -0.63 -0.69 0.00 0.00 174.62 174.22 3mon s ILE 46 N 0.64 4.95 0.41 1.82 1.01 -1.26 -3.43 121.20 125.34 3mon s ILE 46 Ca -0.13 -0.77 0.04 0.00 0.00 0.00 0.00 60.65 59.79 3mon s ILE 46 Cb -0.16 -3.49 -0.04 0.00 0.01 0.00 0.00 42.46 38.77 3mon s ILE 46 CO 0.04 -0.02 0.06 -0.31 0.00 0.00 0.00 174.94 174.70 3mon s TYR 47 N -1.65 1.97 -0.07 3.97 1.51 -1.26 -5.05 117.35 116.78 3mon s TYR 47 Ca 0.33 -1.01 -0.11 0.00 -1.01 0.00 0.00 57.07 55.26 3mon s TYR 47 Cb -0.11 -1.41 -0.14 0.00 -0.11 0.00 0.00 41.96 40.20 3mon s TYR 47 CO 0.26 0.04 1.29 -1.91 -1.11 0.00 0.00 175.55 174.11 3mon n GLU 48 N -0.95 0.16 -3.64 -0.62 2.13 -1.26 -4.70 120.64 111.75 3mon n GLU 48 Ca -0.08 -0.76 -0.04 0.00 0.66 0.00 0.00 57.16 56.93 3mon n GLU 48 Cb 0.66 -2.22 -0.07 0.00 0.27 0.00 0.00 31.44 30.08 3mon n GLU 48 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3mon s ASN 49 N 5.60 -0.67 0.00 4.31 2.20 -1.26 -5.30 114.94 119.81 3mon s ASN 49 Ca 0.27 1.09 0.00 0.00 -0.94 0.00 0.00 52.86 53.28 3mon s ASN 49 Cb 0.06 1.27 0.00 0.00 -2.00 0.00 0.00 41.25 40.58 3mon s ASN 49 CO 0.12 -0.17 0.15 1.21 -2.94 0.00 0.00 177.10 175.47