#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4mon s GLU 2 N 0.00 3.49 -0.12 1.61 0.41 -1.10 -4.87 118.70 118.11 4mon s GLU 2 Ca 0.00 -0.21 0.02 0.00 -0.41 0.00 0.00 54.97 54.36 4mon s GLU 2 Cb 0.00 -3.10 -0.01 0.00 -1.78 0.00 0.00 34.13 29.24 4mon s GLU 2 CO 0.00 0.68 -0.17 -1.58 -0.49 0.00 0.00 175.26 173.70 4mon s TRP 3 N -1.27 2.71 0.00 1.61 0.52 -1.26 -0.55 118.94 120.69 4mon s TRP 3 Ca 0.26 -0.80 -0.02 0.00 0.02 0.00 0.00 56.10 55.55 4mon s TRP 3 Cb -0.13 -1.79 -0.01 0.00 -1.15 0.00 0.00 33.47 30.40 4mon s TRP 3 CO 0.16 -0.29 0.04 -1.83 0.02 0.00 0.00 176.95 175.04 4mon s GLU 4 N 0.34 0.27 0.28 4.98 -1.05 0.65 -5.02 118.70 119.14 4mon s GLU 4 Ca -0.14 -0.32 -0.17 0.00 -0.15 0.00 0.00 54.97 54.18 4mon s GLU 4 Cb -0.17 0.10 -0.09 0.00 -0.44 0.00 0.00 34.13 33.54 4mon s GLU 4 CO 0.07 -0.05 0.74 0.42 0.95 0.00 0.00 175.26 177.39 4mon s ILE 5 N -0.93 4.61 0.22 1.83 1.01 -1.26 -0.51 121.20 126.17 4mon s ILE 5 Ca -0.10 1.13 0.03 0.00 0.00 0.00 0.00 60.65 61.71 4mon s ILE 5 Cb -0.06 -3.73 -0.01 0.00 0.01 0.00 0.00 42.46 38.66 4mon s ILE 5 CO -0.00 -0.00 0.12 2.30 0.00 0.00 0.00 174.94 177.36 4mon n ILE 6 N 0.15 0.00 -0.81 2.92 -0.00 0.40 -4.86 119.36 117.16 4mon n ILE 6 Ca 0.01 -1.42 -0.30 0.00 -0.00 0.00 0.00 62.75 61.04 4mon n ILE 6 Cb 0.52 0.61 0.18 0.00 -0.00 0.00 0.00 39.64 40.95 4mon n ILE 6 CO 0.00 0.00 0.00 1.51 -0.00 0.00 0.00 176.55 178.06 4mon s ASP 7 N -2.44 2.62 -0.27 7.28 1.47 -1.26 -4.39 116.67 119.68 4mon s ASP 7 Ca 0.18 1.82 0.09 0.00 1.18 0.00 0.00 52.55 55.81 4mon s ASP 7 Cb 0.01 -2.40 0.46 0.00 -0.34 0.00 0.00 42.92 40.64 4mon s ASP 7 CO 0.12 -3.23 1.31 -0.38 0.68 0.00 0.00 175.17 173.68 4mon n ILE 8 N -4.29 2.45 -0.59 2.11 -0.00 -1.26 -4.77 119.36 113.01 4mon n ILE 8 Ca 0.08 -3.36 0.00 0.00 -0.00 0.00 0.00 62.75 59.47 4mon n ILE 8 Cb 0.53 -0.54 0.00 0.00 -0.00 0.00 0.00 39.64 39.64 4mon n ILE 8 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 4mon n GLY 9 N -1.01 0.92 0.23 7.39 0.00 -1.26 -4.72 105.19 106.74 4mon n GLY 9 Ca 0.31 -1.72 -0.09 0.00 0.00 0.00 0.00 46.02 44.53 4mon n GLY 9 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 4mon h PRO 10 N 0.00 -0.54 -0.96 1.61 0.11 -1.96 0.33 132.00 130.59 4mon h PRO 10 Ca 0.00 0.04 0.26 0.00 0.11 0.00 0.00 66.00 66.41 4mon h PRO 10 Cb 0.00 0.12 -0.13 0.00 0.11 0.00 0.00 31.00 31.10 4mon h PRO 10 CO 0.00 -0.36 0.50 0.35 -0.21 0.00 0.00 178.00 178.28 4mon h PHE 11 N -0.67 0.83 -0.27 0.65 3.04 -1.97 1.20 116.94 119.74 4mon h PHE 11 Ca -0.06 0.04 -0.16 0.00 3.98 0.00 0.00 57.97 61.77 4mon h PHE 11 Cb 0.43 -0.21 -0.00 0.00 2.56 0.00 0.00 35.95 38.72 4mon h PHE 11 CO 0.09 -0.06 -0.49 0.00 -2.02 0.00 0.00 178.31 175.82 4mon h THR 12 N 0.42 1.29 0.00 4.41 1.03 -1.85 -0.09 112.91 118.12 4mon h THR 12 Ca 0.64 -1.69 0.00 0.00 -0.01 0.00 0.00 66.41 65.36 4mon h THR 12 Cb 1.31 1.60 0.00 0.00 -1.07 0.00 0.00 68.15 69.99 4mon h THR 12 CO -0.55 0.54 0.00 1.56 -0.01 0.00 0.00 175.52 177.06 4mon h GLN 13 N 0.58 0.00 -0.14 0.00 1.08 0.33 -2.86 115.11 114.10 4mon h GLN 13 Ca 0.03 0.00 -0.23 0.00 -1.45 0.00 0.00 58.65 57.00 4mon h GLN 13 Cb 1.05 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.50 4mon h GLN 13 CO 0.10 0.00 -0.81 -0.91 -0.95 0.00 0.00 178.83 176.26 4mon h ASN 14 N 0.00 0.95 0.60 1.46 -0.26 0.26 -2.41 115.58 116.17 4mon h ASN 14 Ca 0.00 -0.63 0.00 0.00 -0.56 0.00 0.00 56.30 55.11 4mon h ASN 14 Cb 0.62 -0.28 0.00 0.00 -1.06 0.00 0.00 38.32 37.60 4mon h ASN 14 CO 0.00 1.44 -0.01 0.00 -1.06 0.00 0.00 177.43 177.80 4mon n LEU 15 N -3.93 0.02 -0.04 1.61 -0.00 -0.18 -0.09 117.00 114.40 4mon n LEU 15 Ca -0.08 0.29 -0.12 0.00 -0.00 0.00 0.00 56.01 56.10 4mon n LEU 15 Cb 0.76 -0.30 -0.10 0.00 -0.00 0.00 0.00 43.42 43.78 4mon n LEU 15 CO 0.53 0.00 0.39 1.23 -0.00 0.00 0.00 177.39 179.54 4mon h GLY 16 N 5.00 -0.03 0.26 1.47 0.00 -1.29 -1.19 103.07 107.28 4mon h GLY 16 Ca 0.00 0.01 0.03 0.00 0.00 0.00 0.00 47.33 47.37 4mon h GLY 16 CO 0.00 -0.01 -0.37 1.70 0.00 0.00 0.00 176.54 177.86 4mon h LYS 17 N -0.90 -0.52 -0.20 4.80 3.64 -1.25 0.24 116.57 122.39 4mon h LYS 17 Ca -0.00 0.04 0.05 0.00 -1.27 0.00 0.00 60.65 59.46 4mon h LYS 17 Cb 0.74 0.12 -0.07 0.00 -0.41 0.00 0.00 32.23 32.61 4mon h LYS 17 CO 0.01 -0.34 -0.39 0.35 -2.27 0.00 0.00 179.45 176.80 4mon h PHE 18 N -0.54 -1.12 -0.72 1.91 3.57 -0.55 0.14 116.94 119.64 4mon h PHE 18 Ca 0.05 0.05 0.09 0.00 3.53 0.00 0.00 57.97 61.69 4mon h PHE 18 Cb 0.61 0.52 -0.11 0.00 2.79 0.00 0.00 35.95 39.75 4mon h PHE 18 CO -0.37 -0.45 -0.50 0.00 -2.23 0.00 0.00 178.31 174.76 4mon h ALA 19 N 0.29 -0.43 0.00 2.41 0.00 -0.33 -0.27 119.26 120.93 4mon h ALA 19 Ca 0.10 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 4mon h ALA 19 Cb 0.60 1.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.51 4mon h ALA 19 CO -0.43 -0.89 -0.18 0.28 0.00 0.00 0.00 179.25 178.03 4mon h VAL 20 N -0.17 0.71 0.19 0.00 2.07 0.26 -2.16 116.25 117.15 4mon h VAL 20 Ca 0.17 -0.74 -0.31 0.00 0.82 0.00 0.00 66.70 66.64 4mon h VAL 20 Cb 0.53 1.46 0.02 0.00 -1.52 0.00 0.00 31.29 31.78 4mon h VAL 20 CO -0.79 0.17 -1.41 0.44 0.02 0.00 0.00 177.57 176.01 4mon h ASP 21 N 0.00 0.64 0.36 0.57 3.32 0.64 -1.48 116.42 120.47 4mon h ASP 21 Ca -0.00 -0.71 -0.11 0.00 0.02 0.00 0.00 57.03 56.22 4mon h ASP 21 Cb 0.44 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 4mon h ASP 21 CO 0.02 1.56 -0.48 -0.33 -1.72 0.00 0.00 179.24 178.29 4mon h GLU 22 N 0.11 0.15 -0.22 3.56 4.39 -1.16 0.16 114.58 121.57 4mon h GLU 22 Ca -0.21 -0.08 -0.15 0.00 0.34 0.00 0.00 59.36 59.26 4mon h GLU 22 Cb 2.08 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.73 4mon h GLU 22 CO 0.24 0.60 -0.47 1.49 -1.16 0.00 0.00 179.01 179.71 4mon h GLU 23 N 0.12 0.56 0.00 2.33 4.57 -1.41 0.85 114.58 121.60 4mon h GLU 23 Ca 0.00 -0.32 -0.12 0.00 -1.18 0.00 0.00 59.36 57.75 4mon h GLU 23 Cb 0.90 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.49 4mon h GLU 23 CO 0.07 0.91 -0.58 -0.91 -1.18 0.00 0.00 179.01 177.32 4mon h ASN 24 N 0.45 0.00 0.00 1.04 2.35 -1.01 0.10 115.58 118.51 4mon h ASN 24 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 4mon h ASN 24 Cb 0.99 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.36 4mon h ASN 24 CO 0.09 0.58 0.00 1.17 -1.65 0.00 0.00 177.43 177.62 4mon n LYS 25 N -3.68 0.00 -0.32 0.81 4.81 0.54 -4.36 118.16 115.97 4mon n LYS 25 Ca -0.01 0.10 0.06 0.00 -0.87 0.00 0.00 58.31 57.60 4mon n LYS 25 Cb 0.62 -0.74 0.21 0.00 0.02 0.00 0.00 35.03 35.14 4mon n LYS 25 CO 0.00 0.00 0.00 0.44 1.17 0.00 0.00 177.40 179.01 4mon n ILE 26 N -0.81 0.92 -2.60 3.15 -5.35 0.29 -4.92 119.36 110.03 4mon n ILE 26 Ca 0.00 -0.66 -0.42 0.00 -0.27 0.00 0.00 62.75 61.39 4mon n ILE 26 Cb 0.00 0.09 -0.03 0.00 -1.74 0.00 0.00 39.64 37.96 4mon n ILE 26 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 4mon s GLY 27 N -0.83 2.65 0.00 3.28 0.00 0.35 -4.94 107.32 107.83 4mon s GLY 27 Ca 0.30 0.62 0.11 0.00 0.00 0.00 0.00 44.72 45.76 4mon s GLY 27 CO 0.17 1.85 1.42 -1.06 0.00 0.00 0.00 173.10 175.48 4mon n GLN 28 N 4.10 0.99 0.00 2.90 1.13 -1.26 -4.83 117.38 120.40 4mon n GLN 28 Ca 0.07 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.13 4mon n GLN 28 Cb 0.49 -1.18 0.00 0.00 0.11 0.00 0.00 30.24 29.66 4mon n GLN 28 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 4mon n TYR 29 N -0.68 0.00 -2.08 1.08 4.02 -1.26 -5.14 117.16 113.10 4mon n TYR 29 Ca 0.08 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.57 4mon n TYR 29 Cb 0.04 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.34 4mon n TYR 29 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 4mon s GLY 30 N 0.00 2.94 0.08 2.72 0.00 -1.26 -5.01 107.32 106.79 4mon s GLY 30 Ca 0.00 1.29 -0.26 0.00 0.00 0.00 0.00 44.72 45.75 4mon s GLY 30 CO 0.00 1.97 0.81 0.50 0.00 0.00 0.00 173.10 176.38 4mon s ARG 31 N -1.69 4.55 0.43 2.90 0.52 -1.26 -4.94 118.95 119.46 4mon s ARG 31 Ca 0.50 1.16 0.08 0.00 -0.52 0.00 0.00 55.73 56.95 4mon s ARG 31 Cb -0.40 -3.35 -0.01 0.00 0.52 0.00 0.00 34.95 31.71 4mon s ARG 31 CO 0.53 0.33 0.39 -0.51 0.02 0.00 0.00 175.30 176.05 4mon s LEU 32 N -0.27 3.31 -0.19 2.53 1.02 -1.26 -5.11 118.68 118.72 4mon s LEU 32 Ca 0.40 -0.81 0.01 0.00 0.02 0.00 0.00 54.13 53.74 4mon s LEU 32 Cb -0.22 -1.94 0.04 0.00 0.02 0.00 0.00 46.19 44.10 4mon s LEU 32 CO 0.25 -0.72 -0.11 -0.89 0.02 0.00 0.00 176.35 174.91 4mon s THR 33 N -2.51 1.58 0.38 5.49 2.01 -1.26 -4.95 115.64 116.37 4mon s THR 33 Ca 0.47 -0.90 -0.28 0.00 0.31 0.00 0.00 61.69 61.30 4mon s THR 33 Cb -0.03 -1.63 -0.11 0.00 0.01 0.00 0.00 72.50 70.74 4mon s THR 33 CO 0.27 0.23 1.49 0.12 -0.69 0.00 0.00 174.62 176.04 4mon s PHE 34 N 1.44 2.56 0.15 4.92 2.19 -1.26 -4.97 117.98 123.02 4mon s PHE 34 Ca 0.00 1.17 0.00 0.00 0.33 0.00 0.00 56.93 58.43 4mon s PHE 34 Cb -0.15 -4.03 0.00 0.00 -1.31 0.00 0.00 43.02 37.53 4mon s PHE 34 CO -0.09 -3.02 0.00 0.09 1.83 0.00 0.00 175.22 174.03 4mon n ASN 35 N 0.41 0.74 -3.49 6.13 5.03 -1.26 -5.11 115.26 117.71 4mon n ASN 35 Ca 0.01 0.24 -0.13 0.00 0.87 0.00 0.00 54.58 55.57 4mon n ASN 35 Cb 0.39 -0.12 -0.04 0.00 -1.02 0.00 0.00 39.78 38.99 4mon n ASN 35 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 4mon s LYS 36 N -1.98 1.05 -0.27 3.52 1.02 -1.26 -5.14 119.74 116.69 4mon s LYS 36 Ca 0.00 -0.11 -0.06 0.00 0.02 0.00 0.00 55.97 55.82 4mon s LYS 36 Cb 0.00 0.49 0.00 0.00 -0.52 0.00 0.00 37.83 37.80 4mon s LYS 36 CO 0.00 -0.40 0.04 0.08 -0.92 0.00 0.00 175.35 174.15 4mon s VAL 37 N -2.43 3.77 0.56 3.17 1.01 -1.26 -5.07 120.40 120.15 4mon s VAL 37 Ca -0.03 -0.64 0.09 0.00 0.00 0.00 0.00 61.98 61.41 4mon s VAL 37 Cb -0.01 -2.88 0.08 0.00 0.00 0.00 0.00 36.38 33.57 4mon s VAL 37 CO -0.02 0.18 0.76 0.27 0.00 0.00 0.00 175.10 176.29 4mon s ILE 38 N 1.49 2.17 0.13 2.22 -5.25 -1.26 -4.90 121.20 115.80 4mon s ILE 38 Ca 0.03 -1.03 -0.14 0.00 -0.99 0.00 0.00 60.65 58.52 4mon s ILE 38 Cb -0.16 -2.20 -0.07 0.00 2.95 0.00 0.00 42.46 42.98 4mon s ILE 38 CO 0.01 0.00 0.54 -0.13 -1.79 0.00 0.00 174.94 173.56 4mon s ARG 39 N -4.63 3.98 0.12 0.37 0.52 -1.26 -3.79 118.95 114.25 4mon s ARG 39 Ca 0.60 0.49 -0.08 0.00 -0.52 0.00 0.00 55.73 56.21 4mon s ARG 39 Cb -0.06 -2.97 -0.06 0.00 0.52 0.00 0.00 34.95 32.39 4mon s ARG 39 CO 0.38 0.50 0.41 -1.25 0.02 0.00 0.00 175.30 175.36 4mon s PRO 40 N -1.86 3.72 -0.07 3.54 0.04 -1.26 -5.18 135.00 133.93 4mon s PRO 40 Ca 0.36 0.11 0.03 0.00 0.04 0.00 0.00 61.00 61.55 4mon s PRO 40 Cb -0.15 -2.91 -0.02 0.00 0.04 0.00 0.00 34.50 31.45 4mon s PRO 40 CO 0.19 0.50 -0.16 0.00 0.04 0.00 0.00 177.00 177.57 4mon s MET 42 N -0.33 1.14 -0.08 0.00 -1.94 -1.26 -0.45 119.30 116.38 4mon s MET 42 Ca 0.03 -1.27 0.01 0.00 -1.71 0.00 0.00 55.69 52.75 4mon s MET 42 Cb -0.13 -1.22 0.02 0.00 2.01 0.00 0.00 34.83 35.52 4mon s MET 42 CO 0.02 0.26 -0.08 0.21 -0.01 0.00 0.00 175.02 175.42 4mon s LYS 43 N -2.43 1.37 -0.17 2.03 2.36 0.33 -4.87 119.74 118.36 4mon s LYS 43 Ca 0.10 -0.25 0.01 0.00 -2.55 0.00 0.00 55.97 53.28 4mon s LYS 43 Cb -0.07 -1.33 0.01 0.00 -1.05 0.00 0.00 37.83 35.39 4mon s LYS 43 CO 0.05 -0.14 -0.18 0.21 1.55 0.00 0.00 175.35 176.84 4mon s LYS 44 N 1.24 3.09 0.07 4.03 2.47 -1.26 -0.25 119.74 129.12 4mon s LYS 44 Ca -0.05 -0.80 -0.21 0.00 -1.56 0.00 0.00 55.97 53.35 4mon s LYS 44 Cb -0.14 -2.58 -0.07 0.00 -1.46 0.00 0.00 37.83 33.58 4mon s LYS 44 CO -0.02 -0.10 0.63 0.99 0.16 0.00 0.00 175.35 177.01 4mon s THR 45 N 1.05 4.70 0.11 3.43 2.01 0.28 -4.92 115.64 122.31 4mon s THR 45 Ca -0.01 1.35 0.05 0.00 0.31 0.00 0.00 61.69 63.39 4mon s THR 45 Cb -0.14 -3.97 -0.04 0.00 0.01 0.00 0.00 72.50 68.36 4mon s THR 45 CO -0.06 0.51 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.63 4mon s ILE 46 N -0.84 1.16 0.00 1.82 1.01 -1.26 -2.29 121.20 120.79 4mon s ILE 46 Ca 0.31 -1.71 0.00 0.00 0.00 0.00 0.00 60.65 59.25 4mon s ILE 46 Cb -0.20 -1.48 0.00 0.00 0.01 0.00 0.00 42.46 40.79 4mon s ILE 46 CO 0.20 -0.50 0.00 -1.22 0.00 0.00 0.00 174.94 173.42 4mon n TYR 47 N 0.49 -0.62 -0.10 3.97 4.01 -1.26 -4.91 117.16 118.73 4mon n TYR 47 Ca -0.15 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.38 4mon n TYR 47 Cb 0.58 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.49 4mon n TYR 47 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 4mon n GLU 48 N 0.00 0.66 -3.76 -0.72 2.13 -1.26 -4.93 120.64 112.75 4mon n GLU 48 Ca 0.00 0.22 -0.24 0.00 0.66 0.00 0.00 57.16 57.80 4mon n GLU 48 Cb 0.00 -1.57 0.02 0.00 0.27 0.00 0.00 31.44 30.16 4mon n GLU 48 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 4mon n ASN 49 N -3.57 -1.82 0.00 4.31 5.03 -1.26 -5.12 115.26 112.84 4mon n ASN 49 Ca -0.44 -0.91 0.00 0.00 0.87 0.00 0.00 54.58 54.10 4mon n ASN 49 Cb 0.96 -3.66 0.00 0.00 -1.02 0.00 0.00 39.78 36.06 4mon n ASN 49 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81