#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yso s SER 2 N 0.00 0.68 -0.76 1.61 0.01 -1.26 -5.06 113.70 108.92 2yso s SER 2 Ca 0.00 -0.97 -0.29 0.00 1.31 0.00 0.00 55.95 56.00 2yso s SER 2 Cb 0.00 0.16 -0.18 0.00 0.21 0.00 0.00 66.02 66.21 2yso s SER 2 CO 0.00 -0.54 2.20 -1.54 0.41 0.00 0.00 173.24 173.77 2yso n SER 3 N 0.15 0.34 0.00 2.44 3.41 -1.26 -4.47 113.62 114.23 2yso n SER 3 Ca -0.14 0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 2yso n SER 3 Cb 0.61 -0.78 0.00 0.00 -0.26 0.00 0.00 64.21 63.77 2yso n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yso n GLY 4 N 5.75 -0.73 0.23 5.00 0.00 -1.26 -4.96 105.19 109.22 2yso n GLY 4 Ca 0.54 -0.38 0.11 0.00 0.00 0.00 0.00 46.02 46.29 2yso n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2yso h SER 5 N 0.00 0.00 -6.53 1.61 4.64 -1.90 -3.46 113.55 107.91 2yso h SER 5 Ca 0.00 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.81 2yso h SER 5 Cb 0.00 0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 61.83 2yso h SER 5 CO 0.00 0.18 -0.76 -0.24 -0.87 0.00 0.00 176.83 175.14 2yso n SER 6 N -3.31 -0.57 0.00 4.97 2.88 -1.26 -4.47 113.62 111.86 2yso n SER 6 Ca 0.00 -1.02 0.00 0.00 -1.33 0.00 0.00 58.87 56.52 2yso n SER 6 Cb 0.42 -1.29 0.00 0.00 -0.75 0.00 0.00 64.21 62.59 2yso n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yso n GLY 7 N -1.49 -0.17 3.49 0.46 0.00 -1.26 -5.08 105.19 101.13 2yso n GLY 7 Ca -0.05 -0.86 -0.29 0.00 0.00 0.00 0.00 46.02 44.82 2yso n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yso s SER 8 N -4.00 0.76 -0.76 1.61 1.04 -1.26 -4.98 113.70 106.10 2yso s SER 8 Ca 0.00 1.25 -0.03 0.00 0.48 0.00 0.00 55.95 57.65 2yso s SER 8 Cb 0.00 -1.91 0.19 0.00 0.10 0.00 0.00 66.02 64.40 2yso s SER 8 CO 0.00 -4.30 0.62 -0.60 0.98 0.00 0.00 173.24 169.94 2yso s ARG 9 N -4.72 2.97 1.02 4.02 3.52 -1.26 -4.89 118.95 119.61 2yso s ARG 9 Ca 0.68 -2.88 -0.18 0.00 -0.13 0.00 0.00 55.73 53.23 2yso s ARG 9 Cb -0.21 -3.88 0.06 0.00 -1.56 0.00 0.00 34.95 29.35 2yso s ARG 9 CO 0.62 -1.22 -0.22 -0.85 -0.81 0.00 0.00 175.30 172.81 2yso n GLU 10 N 2.98 -1.40 -3.49 5.12 0.28 -1.26 -5.04 120.64 117.83 2yso n GLU 10 Ca 0.15 -0.41 -0.16 0.00 -0.16 0.00 0.00 57.16 56.58 2yso n GLU 10 Cb 0.38 -1.42 -0.04 0.00 1.43 0.00 0.00 31.44 31.78 2yso n GLU 10 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 2yso s LYS 11 N -3.05 1.14 0.10 3.44 0.00 -1.26 -5.18 119.74 114.93 2yso s LYS 11 Ca 0.41 -0.04 -0.01 0.00 0.00 0.00 0.00 55.97 56.34 2yso s LYS 11 Cb -0.04 0.53 -0.04 0.00 0.00 0.00 0.00 37.83 38.28 2yso s LYS 11 CO 0.50 -0.42 0.02 -1.12 0.00 0.00 0.00 175.35 174.33 2yso s SER 12 N -1.81 0.45 -0.69 0.03 0.01 -1.26 -5.11 113.70 105.32 2yso s SER 12 Ca -0.06 -1.12 0.05 0.00 1.31 0.00 0.00 55.95 56.13 2yso s SER 12 Cb -0.00 0.24 0.17 0.00 0.21 0.00 0.00 66.02 66.64 2yso s SER 12 CO 0.01 -0.66 0.49 1.41 0.41 0.00 0.00 173.24 174.90 2yso n HIS 13 N -0.02 3.01 -3.26 2.43 8.25 -1.26 -5.09 115.22 119.27 2yso n HIS 13 Ca -0.09 -4.25 -0.22 0.00 -0.26 0.00 0.00 57.72 52.90 2yso n HIS 13 Cb 0.63 -0.57 -0.00 0.00 1.12 0.00 0.00 29.99 31.16 2yso n HIS 13 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 2yso s GLN 14 N -1.40 3.23 -0.25 -0.41 0.74 -1.26 -3.18 119.66 117.13 2yso s GLN 14 Ca 0.26 -0.56 -0.11 0.00 0.05 0.00 0.00 55.36 55.01 2yso s GLN 14 Cb -0.03 -2.66 -0.05 0.00 1.10 0.00 0.00 33.01 31.37 2yso s GLN 14 CO -0.17 -0.03 0.17 0.00 -0.55 0.00 0.00 175.29 174.70 2yso n ARG 16 N 4.49 2.44 0.00 0.00 0.63 -1.26 -2.88 116.66 120.08 2yso n ARG 16 Ca -0.15 -2.83 0.00 0.00 -0.92 0.00 0.00 57.85 53.95 2yso n ARG 16 Cb 0.52 -2.11 0.00 0.00 0.45 0.00 0.00 32.46 31.32 2yso n ARG 16 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2yso n GLU 17 N -0.62 0.95 0.00 -0.14 1.02 -1.26 -4.95 120.64 115.63 2yso n GLU 17 Ca 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.68 2yso n GLU 17 Cb 0.70 -0.70 0.00 0.00 -0.02 0.00 0.00 31.44 31.43 2yso n GLU 17 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2yso n GLY 19 N 2.31 0.70 2.87 0.00 0.00 -1.14 -5.10 105.19 104.83 2yso n GLY 19 Ca 0.00 -0.72 -0.15 0.00 0.00 0.00 0.00 46.02 45.15 2yso n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2yso s GLU 20 N -0.86 0.22 -0.11 1.61 0.41 -1.25 -4.95 118.70 113.77 2yso s GLU 20 Ca 0.00 -0.01 0.01 0.00 -0.41 0.00 0.00 54.97 54.56 2yso s GLU 20 Cb 0.00 -0.29 -0.02 0.00 -1.78 0.00 0.00 34.13 32.04 2yso s GLU 20 CO 0.00 -0.03 -0.12 0.42 -0.49 0.00 0.00 175.26 175.04 2yso s ILE 21 N 0.40 3.16 0.49 -1.63 1.01 -1.26 -0.29 121.20 123.08 2yso s ILE 21 Ca -0.04 -0.64 0.02 0.00 0.00 0.00 0.00 60.65 59.99 2yso s ILE 21 Cb -0.06 -2.31 -0.01 0.00 0.01 0.00 0.00 42.46 40.09 2yso s ILE 21 CO -0.01 0.54 0.06 -0.36 0.00 0.00 0.00 174.94 175.17 2yso s PHE 22 N 0.01 1.77 -0.17 3.97 0.08 -1.19 -5.03 117.98 117.42 2yso s PHE 22 Ca -0.04 -1.13 -0.07 0.00 0.12 0.00 0.00 56.93 55.81 2yso s PHE 22 Cb -0.14 -1.42 -0.08 0.00 -0.57 0.00 0.00 43.02 40.81 2yso s PHE 22 CO 0.04 -0.01 -0.21 1.19 -0.10 0.00 0.00 175.22 176.13 2yso n PHE 23 N -1.18 0.00 -3.47 0.36 3.72 -1.26 -4.40 117.46 111.23 2yso n PHE 23 Ca -0.16 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 56.93 2yso n PHE 23 Cb 0.66 -0.61 -0.05 0.00 -0.94 0.00 0.00 39.48 38.55 2yso n PHE 23 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 2yso s GLN 24 N -2.31 3.73 0.17 -1.08 -0.21 -1.26 -4.91 119.66 113.79 2yso s GLN 24 Ca -0.23 0.14 -0.12 0.00 0.02 0.00 0.00 55.36 55.17 2yso s GLN 24 Cb 0.09 -2.70 0.06 0.00 1.00 0.00 0.00 33.01 31.46 2yso s GLN 24 CO 0.30 0.34 1.70 -0.92 -2.12 0.00 0.00 175.29 174.59 2yso h TYR 25 N 2.48 0.92 -0.49 0.91 3.20 -1.98 -2.58 116.97 119.43 2yso h TYR 25 Ca -0.47 -0.09 0.06 0.00 3.14 0.00 0.00 58.73 61.37 2yso h TYR 25 Cb 1.17 -0.27 -0.03 0.00 1.54 0.00 0.00 36.73 39.15 2yso h TYR 25 CO 0.61 0.77 0.33 0.28 -1.64 0.00 0.00 178.16 178.51 2yso h VAL 26 N 0.80 0.97 0.00 1.81 2.07 -1.99 0.72 116.25 120.64 2yso h VAL 26 Ca 0.19 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 2yso h VAL 26 Cb 0.28 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 30.56 2yso h VAL 26 CO -0.01 0.08 -0.05 0.28 0.02 0.00 0.00 177.57 177.89 2yso h SER 27 N 0.43 0.00 0.00 0.57 0.02 -1.87 -2.62 113.55 110.08 2yso h SER 27 Ca 0.21 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 2yso h SER 27 Cb 0.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.85 2yso h SER 27 CO -0.05 0.05 -0.05 -0.11 -1.14 0.00 0.00 176.83 175.53 2yso n LEU 28 N -3.33 0.17 -0.33 5.07 7.94 0.18 -3.21 117.00 123.50 2yso n LEU 28 Ca -0.01 0.27 0.31 0.00 -1.11 0.00 0.00 56.01 55.47 2yso n LEU 28 Cb 0.21 -0.53 0.56 0.00 0.53 0.00 0.00 43.42 44.19 2yso n LEU 28 CO 0.26 -0.50 1.01 0.00 -1.11 0.00 0.00 177.39 177.05 2yso n ILE 29 N -2.49 -0.33 0.01 1.96 3.06 -0.80 0.67 119.36 121.44 2yso n ILE 29 Ca -0.01 1.77 -0.13 0.00 -2.50 0.00 0.00 62.75 61.89 2yso n ILE 29 Cb 0.03 -2.89 -0.10 0.00 0.54 0.00 0.00 39.64 37.22 2yso n ILE 29 CO 0.00 0.00 0.00 -0.33 -2.50 0.00 0.00 176.55 173.72 2yso h GLU 30 N 0.00 -0.08 -0.60 9.51 4.39 -1.66 -3.22 114.58 122.92 2yso h GLU 30 Ca 0.78 0.01 0.11 0.00 0.34 0.00 0.00 59.36 60.59 2yso h GLU 30 Cb 2.20 0.02 -0.08 0.00 -0.10 0.00 0.00 28.75 30.79 2yso h GLU 30 CO -0.61 0.44 0.15 1.25 -1.16 0.00 0.00 179.01 179.08 2yso h HIS 31 N -0.67 0.25 -1.00 4.33 -0.00 0.27 -0.28 115.15 118.07 2yso h HIS 31 Ca -0.01 0.03 0.22 0.00 -0.00 0.00 0.00 60.37 60.61 2yso h HIS 31 Cb 0.56 -0.02 -0.10 0.00 -0.00 0.00 0.00 27.41 27.84 2yso h HIS 31 CO 0.11 0.00 0.62 1.96 -0.00 0.00 0.00 177.93 180.62 2yso h GLN 32 N 0.30 0.60 -0.79 5.26 1.08 -1.09 -1.65 115.11 118.81 2yso h GLN 32 Ca 0.31 -0.04 0.13 0.00 -1.45 0.00 0.00 58.65 57.61 2yso h GLN 32 Cb 0.44 -0.13 -0.14 0.00 -0.05 0.00 0.00 27.48 27.60 2yso h GLN 32 CO -0.37 0.39 -0.34 0.28 -0.95 0.00 0.00 178.83 177.85 2yso h VAL 33 N 0.61 0.10 -0.93 -0.54 2.07 -1.05 0.30 116.25 116.81 2yso h VAL 33 Ca 0.58 0.00 0.27 0.00 0.82 0.00 0.00 66.70 68.37 2yso h VAL 33 Cb 1.11 0.10 -0.16 0.00 -1.52 0.00 0.00 31.29 30.82 2yso h VAL 33 CO -0.36 0.00 0.18 -0.07 0.02 0.00 0.00 177.57 177.35 2yso h LEU 34 N -0.07 -0.16 0.44 2.57 3.38 -1.41 -1.71 115.31 118.35 2yso h LEU 34 Ca 0.31 0.24 -0.02 0.00 0.09 0.00 0.00 57.88 58.49 2yso h LEU 34 Cb 0.58 0.36 0.00 0.00 0.09 0.00 0.00 40.66 41.69 2yso h LEU 34 CO -0.83 -0.27 -0.21 0.45 0.09 0.00 0.00 178.44 177.66 2yso h HIS 35 N 0.10 -0.55 -1.33 1.13 3.86 -0.55 -3.39 115.15 114.41 2yso h HIS 35 Ca 0.61 -0.01 -0.36 0.00 -1.16 0.00 0.00 60.37 59.45 2yso h HIS 35 Cb 1.30 0.18 0.00 0.00 1.06 0.00 0.00 27.41 29.95 2yso h HIS 35 CO -0.33 -0.34 1.23 0.00 0.86 0.00 0.00 177.93 179.35 2yso s MET 36 N -3.95 2.02 0.26 2.45 0.23 -0.64 -4.88 119.30 114.80 2yso s MET 36 Ca -0.09 1.11 -0.04 0.00 -1.03 0.00 0.00 55.69 55.64 2yso s MET 36 Cb 0.01 -4.63 -0.02 0.00 -1.53 0.00 0.00 34.83 28.66 2yso s MET 36 CO 0.26 -3.52 0.33 0.20 -2.03 0.00 0.00 175.02 170.26 2yso s GLY 37 N 11.56 1.30 -0.39 3.16 0.00 -1.26 -4.85 107.32 116.83 2yso s GLY 37 Ca 0.94 -1.46 0.02 0.00 0.00 0.00 0.00 44.72 44.22 2yso s GLY 37 CO 0.21 -1.09 0.14 1.62 0.00 0.00 0.00 173.10 173.99 2yso s GLN 38 N -3.76 1.36 0.40 2.90 -0.44 -1.26 -5.11 119.66 113.74 2yso s GLN 38 Ca 0.32 -1.87 -0.04 0.00 -2.50 0.00 0.00 55.36 51.28 2yso s GLN 38 Cb 0.02 -2.76 -0.04 0.00 -1.64 0.00 0.00 33.01 28.59 2yso s GLN 38 CO 0.15 -1.03 0.67 -1.59 0.50 0.00 0.00 175.29 173.98 2yso s LYS 39 N 0.71 3.55 0.17 1.67 -2.85 -1.26 -5.11 119.74 116.63 2yso s LYS 39 Ca 0.13 0.00 0.03 0.00 -1.00 0.00 0.00 55.97 55.13 2yso s LYS 39 Cb -0.21 -2.52 -0.05 0.00 -2.06 0.00 0.00 37.83 32.99 2yso s LYS 39 CO -0.09 -0.00 -0.03 0.54 0.10 0.00 0.00 175.35 175.87 2yso s ASN 40 N -3.86 1.48 0.16 0.03 4.22 -1.26 -5.16 114.94 110.54 2yso s ASN 40 Ca 0.45 -1.12 0.04 0.00 -2.14 0.00 0.00 52.86 50.08 2yso s ASN 40 Cb -0.10 0.06 -0.04 0.00 1.28 0.00 0.00 41.25 42.45 2yso s ASN 40 CO 0.38 -0.49 0.19 -0.44 -2.04 0.00 0.00 177.10 174.71 2yso s SER 41 N -3.18 5.85 0.47 3.54 0.01 -1.26 -5.07 113.70 114.05 2yso s SER 41 Ca 0.22 -0.01 -0.22 0.00 1.31 0.00 0.00 55.95 57.25 2yso s SER 41 Cb 0.05 -1.63 -0.10 0.00 0.21 0.00 0.00 66.02 64.55 2yso s SER 41 CO 0.03 0.07 0.73 0.61 0.41 0.00 0.00 173.24 175.09 2yso n GLY 42 N -0.40 -0.96 0.08 3.44 0.00 -1.26 -4.92 105.19 101.17 2yso n GLY 42 Ca -0.08 0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 2yso n GLY 42 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yso h PRO 43 N 0.89 0.10 -7.51 1.61 0.13 -2.00 -3.46 132.00 121.76 2yso h PRO 43 Ca -0.43 -0.05 -0.48 0.00 -0.87 0.00 0.00 66.00 64.16 2yso h PRO 43 Cb 1.38 0.00 0.08 0.00 0.13 0.00 0.00 31.00 32.59 2yso h PRO 43 CO 0.52 0.56 0.40 -1.54 -0.23 0.00 0.00 178.00 177.71 2yso s SER 44 N -5.81 5.11 -0.10 1.44 1.04 -1.26 -4.94 113.70 109.18 2yso s SER 44 Ca -0.15 0.98 -0.36 0.00 0.48 0.00 0.00 55.95 56.89 2yso s SER 44 Cb 0.03 -1.68 -0.14 0.00 0.10 0.00 0.00 66.02 64.33 2yso s SER 44 CO 0.70 -1.53 1.73 -1.20 0.98 0.00 0.00 173.24 173.91 2yso n SER 45 N -3.10 2.82 0.00 7.02 7.64 -1.26 -5.18 113.62 121.55 2yso n SER 45 Ca 0.07 1.04 0.00 0.00 1.01 0.00 0.00 58.87 60.99 2yso n SER 45 Cb 0.59 -1.28 0.00 0.00 -1.01 0.00 0.00 64.21 62.51 2yso n SER 45 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64