#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ofs s THR 2 N 0.00 2.37 0.17 2.52 2.01 -1.26 -5.12 115.64 116.33 1ofs s THR 2 Ca 0.00 -0.86 0.08 0.00 0.31 0.00 0.00 61.69 61.22 1ofs s THR 2 Cb 0.00 -1.99 -0.04 0.00 0.01 0.00 0.00 72.50 70.47 1ofs s THR 2 CO 0.00 0.52 -0.17 -0.94 -0.69 0.00 0.00 174.62 173.35 1ofs s SER 3 N 1.03 2.58 0.02 3.53 1.04 -1.26 -5.15 113.70 115.50 1ofs s SER 3 Ca -0.01 -0.90 0.00 0.00 0.48 0.00 0.00 55.95 55.52 1ofs s SER 3 Cb -0.15 -0.14 -0.02 0.00 0.10 0.00 0.00 66.02 65.81 1ofs s SER 3 CO -0.05 -0.08 -0.04 -0.31 0.98 0.00 0.00 173.24 173.74 1ofs s TYR 4 N -2.32 0.33 0.03 5.02 1.51 -1.26 -5.16 117.35 115.50 1ofs s TYR 4 Ca 0.17 -0.49 0.00 0.00 -1.01 0.00 0.00 57.07 55.74 1ofs s TYR 4 Cb -0.04 -0.22 -0.03 0.00 -0.11 0.00 0.00 41.96 41.56 1ofs s TYR 4 CO 0.06 -0.16 -0.04 -0.08 -1.11 0.00 0.00 175.55 174.23 1ofs s THR 5 N -1.34 0.21 -0.26 -0.71 -1.32 -1.26 -5.15 115.64 105.81 1ofs s THR 5 Ca -0.14 -1.17 -0.24 0.00 -1.21 0.00 0.00 61.69 58.94 1ofs s THR 5 Cb -0.09 -0.64 0.07 0.00 -1.51 0.00 0.00 72.50 70.33 1ofs s THR 5 CO -0.01 -0.61 0.69 -0.22 -2.21 0.00 0.00 174.62 172.27 1ofs s LEU 6 N -1.86 -0.67 0.12 9.08 2.96 -1.26 -5.18 118.68 121.88 1ofs s LEU 6 Ca -0.09 1.40 -0.16 0.00 -0.22 0.00 0.00 54.13 55.06 1ofs s LEU 6 Cb -0.05 2.38 0.04 0.00 0.50 0.00 0.00 46.19 49.05 1ofs s LEU 6 CO -0.03 -0.24 0.40 -0.94 -1.32 0.00 0.00 176.35 174.22 1ofs s SER 7 N 0.45 -0.24 0.16 3.68 1.04 -1.26 -5.17 113.70 112.36 1ofs s SER 7 Ca -0.01 -0.30 -0.24 0.00 0.48 0.00 0.00 55.95 55.88 1ofs s SER 7 Cb -0.05 0.47 0.06 0.00 0.10 0.00 0.00 66.02 66.60 1ofs s SER 7 CO -0.00 -0.85 0.82 -0.62 0.98 0.00 0.00 173.24 173.57 1ofs s ASP 8 N -2.78 -0.31 -0.24 7.02 -1.08 -1.26 -5.13 116.67 112.89 1ofs s ASP 8 Ca 0.03 -0.31 -0.18 0.00 -0.52 0.00 0.00 52.55 51.56 1ofs s ASP 8 Cb 0.02 0.55 -0.03 0.00 -1.46 0.00 0.00 42.92 42.00 1ofs s ASP 8 CO -0.12 -0.98 0.54 -0.69 0.52 0.00 0.00 175.17 174.44 1ofs s VAL 9 N -3.51 5.06 -0.13 1.11 1.01 -1.26 -5.05 120.40 117.64 1ofs s VAL 9 Ca 0.08 0.94 -0.00 0.00 0.00 0.00 0.00 61.98 63.01 1ofs s VAL 9 Cb -0.02 -3.85 0.02 0.00 0.00 0.00 0.00 36.38 32.53 1ofs s VAL 9 CO -0.01 0.10 -0.11 -0.69 0.00 0.00 0.00 175.10 174.39 1ofs s VAL 10 N 2.17 1.31 -1.34 2.92 1.01 -1.26 -5.05 120.40 120.17 1ofs s VAL 10 Ca 0.23 -0.48 -0.16 0.00 0.00 0.00 0.00 61.98 61.56 1ofs s VAL 10 Cb -0.16 -1.28 0.07 0.00 0.00 0.00 0.00 36.38 35.02 1ofs s VAL 10 CO 0.09 0.40 1.86 -1.54 0.00 0.00 0.00 175.10 175.91 1ofs n SER 11 N 4.85 4.67 -0.25 3.32 3.41 -1.26 -4.81 113.62 123.54 1ofs n SER 11 Ca -0.15 -2.91 0.01 0.00 -0.26 0.00 0.00 58.87 55.56 1ofs n SER 11 Cb 0.50 -1.70 0.08 0.00 -0.26 0.00 0.00 64.21 62.83 1ofs n SER 11 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1ofs h LEU 12 N 11.40 -0.75 -2.38 1.04 5.85 -1.97 0.25 115.31 128.74 1ofs h LEU 12 Ca 0.47 0.23 0.00 0.00 0.84 0.00 0.00 57.88 59.42 1ofs h LEU 12 Cb 0.79 0.48 0.00 0.00 0.37 0.00 0.00 40.66 42.30 1ofs h LEU 12 CO 1.57 -0.25 0.11 0.50 -0.34 0.00 0.00 178.44 180.02 1ofs h LYS 13 N -0.02 0.00 -0.01 1.25 3.64 -1.87 -0.58 116.57 118.98 1ofs h LYS 13 Ca 0.34 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.72 1ofs h LYS 13 Cb 0.55 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 1ofs h LYS 13 CO -0.76 0.00 -0.69 -0.25 -2.27 0.00 0.00 179.45 175.47 1ofs n ASP 14 N -2.85 1.36 -0.03 4.20 8.00 0.07 -4.62 116.55 122.67 1ofs n ASP 14 Ca -0.02 -1.12 -0.05 0.00 0.71 0.00 0.00 54.79 54.30 1ofs n ASP 14 Cb 0.16 0.66 -0.03 0.00 -0.02 0.00 0.00 41.12 41.89 1ofs n ASP 14 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1ofs n VAL 15 N -0.86 0.38 -4.12 2.53 0.24 -0.31 -5.06 118.33 111.13 1ofs n VAL 15 Ca 0.07 -0.13 -0.23 0.00 -2.04 0.00 0.00 64.34 62.01 1ofs n VAL 15 Cb 0.39 -0.90 -0.05 0.00 -1.47 0.00 0.00 33.84 31.81 1ofs n VAL 15 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 1ofs s VAL 16 N -2.13 4.40 0.95 3.34 -7.23 -0.68 -5.11 120.40 113.94 1ofs s VAL 16 Ca -0.09 -1.37 -0.12 0.00 -1.81 0.00 0.00 61.98 58.59 1ofs s VAL 16 Cb 0.03 -3.35 0.16 0.00 0.56 0.00 0.00 36.38 33.77 1ofs s VAL 16 CO 0.15 -0.31 1.11 -2.84 -0.31 0.00 0.00 175.10 172.89 1ofs s PRO 17 N -3.70 0.80 0.28 4.82 0.02 -1.26 -4.72 135.00 131.24 1ofs s PRO 17 Ca 0.32 0.49 -0.02 0.00 0.02 0.00 0.00 61.00 61.81 1ofs s PRO 17 Cb -0.08 -1.78 0.42 0.00 0.02 0.00 0.00 34.50 33.08 1ofs s PRO 17 CO 0.24 -2.47 1.91 0.93 -0.33 0.00 0.00 177.00 177.28 1ofs h GLU 18 N -1.70 1.13 -6.23 5.54 5.08 -1.97 -3.40 114.58 113.03 1ofs h GLU 18 Ca -0.52 -0.07 -0.69 0.00 -1.00 0.00 0.00 59.36 57.08 1ofs h GLU 18 Cb 1.32 -0.26 -0.20 0.00 0.50 0.00 0.00 28.75 30.11 1ofs h GLU 18 CO 0.59 0.75 -0.72 -1.58 -1.00 0.00 0.00 179.01 177.04 1ofs s TRP 19 N -6.00 2.84 0.28 4.33 0.52 -1.26 -5.12 118.94 114.53 1ofs s TRP 19 Ca -0.12 -0.05 0.01 0.00 0.02 0.00 0.00 56.10 55.96 1ofs s TRP 19 Cb 0.19 -1.67 -0.03 0.00 -1.15 0.00 0.00 33.47 30.82 1ofs s TRP 19 CO 0.81 0.28 0.27 0.14 0.02 0.00 0.00 176.95 178.47 1ofs s VAL 20 N -0.80 0.00 0.07 4.03 -7.23 -1.26 -5.13 120.40 110.08 1ofs s VAL 20 Ca 0.13 -1.89 0.08 0.00 -1.81 0.00 0.00 61.98 58.48 1ofs s VAL 20 Cb -0.11 -2.50 -0.03 0.00 0.56 0.00 0.00 36.38 34.30 1ofs s VAL 20 CO 0.02 0.00 -0.22 -0.13 -0.31 0.00 0.00 175.10 174.46 1ofs s ARG 21 N -3.71 1.36 0.25 4.82 0.52 -1.26 -5.15 118.95 115.78 1ofs s ARG 21 Ca 0.37 -1.08 0.10 0.00 -0.52 0.00 0.00 55.73 54.60 1ofs s ARG 21 Cb 0.04 -1.57 -0.04 0.00 0.52 0.00 0.00 34.95 33.89 1ofs s ARG 21 CO 0.19 0.39 -0.05 0.96 0.02 0.00 0.00 175.30 176.81 1ofs s ILE 22 N -0.94 3.26 -0.01 1.52 -4.36 -1.26 -5.12 121.20 114.28 1ofs s ILE 22 Ca 0.08 -1.93 -0.05 0.00 -0.26 0.00 0.00 60.65 58.49 1ofs s ILE 22 Cb -0.09 -2.71 0.02 0.00 1.25 0.00 0.00 42.46 40.92 1ofs s ILE 22 CO 0.03 -0.32 0.24 0.61 0.24 0.00 0.00 174.94 175.74 1ofs n GLY 23 N -0.66 0.41 3.37 6.27 0.00 -1.26 -5.16 105.19 108.16 1ofs n GLY 23 Ca -0.07 -0.85 -0.26 0.00 0.00 0.00 0.00 46.02 44.84 1ofs n GLY 23 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ofs s PHE 24 N -2.30 2.14 0.08 1.61 0.40 -1.26 -5.15 117.98 113.51 1ofs s PHE 24 Ca 0.06 -0.39 0.01 0.00 -0.60 0.00 0.00 56.93 56.01 1ofs s PHE 24 Cb -0.00 -1.12 -0.04 0.00 0.51 0.00 0.00 43.02 42.37 1ofs s PHE 24 CO -0.00 0.36 -0.06 -1.54 0.70 0.00 0.00 175.22 174.68 1ofs s SER 25 N -2.28 0.96 -0.20 1.36 1.04 -1.26 -5.16 113.70 108.16 1ofs s SER 25 Ca 0.15 -0.99 -0.27 0.00 0.48 0.00 0.00 55.95 55.31 1ofs s SER 25 Cb -0.09 0.12 0.08 0.00 0.10 0.00 0.00 66.02 66.23 1ofs s SER 25 CO 0.07 -0.50 0.74 0.00 0.98 0.00 0.00 173.24 174.53 1ofs s ALA 26 N -3.64 -1.80 0.16 5.32 0.00 -1.26 -5.14 121.76 115.39 1ofs s ALA 26 Ca 0.10 1.80 -0.04 0.00 0.00 0.00 0.00 51.96 53.82 1ofs s ALA 26 Cb 0.06 -0.84 -0.03 0.00 0.00 0.00 0.00 23.12 22.31 1ofs s ALA 26 CO -0.06 -0.34 0.16 0.95 0.00 0.00 0.00 175.76 176.47 1ofs s THR 27 N -0.13 0.07 0.15 0.00 -4.23 -1.26 -5.12 115.64 105.13 1ofs s THR 27 Ca -0.03 -1.71 0.01 0.00 -1.18 0.00 0.00 61.69 58.78 1ofs s THR 27 Cb -0.03 -2.03 -0.04 0.00 1.34 0.00 0.00 72.50 71.73 1ofs s THR 27 CO 0.03 -0.33 0.01 0.42 -0.54 0.00 0.00 174.62 174.21 1ofs s THR 28 N -4.03 0.52 0.00 3.99 -4.23 -1.26 -4.89 115.64 105.74 1ofs s THR 28 Ca 0.23 -1.95 0.00 0.00 -1.18 0.00 0.00 61.69 58.79 1ofs s THR 28 Cb 0.06 -2.06 0.00 0.00 1.34 0.00 0.00 72.50 71.84 1ofs s THR 28 CO 0.03 -0.51 0.00 0.61 -0.54 0.00 0.00 174.62 174.20 1ofs n GLY 29 N -0.18 4.10 0.15 3.99 0.00 -1.26 -4.97 105.19 107.02 1ofs n GLY 29 Ca -0.07 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.45 1ofs n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ofs h ALA 30 N 1.00 1.04 -2.68 4.61 0.00 -2.07 -3.42 119.26 117.73 1ofs h ALA 30 Ca 0.00 -0.50 -0.57 0.00 0.00 0.00 0.00 54.91 53.84 1ofs h ALA 30 Cb 0.00 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.63 1ofs h ALA 30 CO 0.00 0.69 -0.58 -1.21 0.00 0.00 0.00 179.25 178.16 1ofs s GLU 31 N -3.69 2.83 0.32 0.00 0.41 -1.26 -5.13 118.70 112.18 1ofs s GLU 31 Ca -0.01 -0.92 -0.05 0.00 -0.41 0.00 0.00 54.97 53.58 1ofs s GLU 31 Cb 0.13 -2.60 0.00 0.00 -1.78 0.00 0.00 34.13 29.88 1ofs s GLU 31 CO 0.75 0.47 0.47 1.52 -0.49 0.00 0.00 175.26 177.98 1ofs s TYR 32 N -1.78 0.88 -0.19 1.61 -0.85 -1.26 -4.72 117.35 111.05 1ofs s TYR 32 Ca 0.31 -1.16 -0.35 0.00 -0.52 0.00 0.00 57.07 55.34 1ofs s TYR 32 Cb -0.10 -0.02 0.14 0.00 0.38 0.00 0.00 41.96 42.36 1ofs s TYR 32 CO 0.23 -1.09 1.22 0.00 -1.52 0.00 0.00 175.55 174.38 1ofs s ALA 33 N -3.30 -2.08 0.03 9.51 0.00 -1.26 -5.07 121.76 119.59 1ofs s ALA 33 Ca 0.29 1.57 -0.19 0.00 0.00 0.00 0.00 51.96 53.63 1ofs s ALA 33 Cb -0.00 -0.10 -0.06 0.00 0.00 0.00 0.00 23.12 22.96 1ofs s ALA 33 CO 0.17 -0.61 0.55 0.00 0.00 0.00 0.00 175.76 175.87 1ofs s ALA 34 N -2.41 3.56 -0.12 0.00 0.00 -1.26 -4.93 121.76 116.61 1ofs s ALA 34 Ca 0.10 -0.01 0.02 0.00 0.00 0.00 0.00 51.96 52.06 1ofs s ALA 34 Cb -0.01 -2.64 0.01 0.00 0.00 0.00 0.00 23.12 20.48 1ofs s ALA 34 CO -0.05 0.31 -0.19 -1.01 0.00 0.00 0.00 175.76 174.83 1ofs s HIS 35 N -0.69 2.27 0.04 0.00 3.76 -1.26 -5.13 115.29 114.27 1ofs s HIS 35 Ca 0.29 -1.07 0.00 0.00 -0.15 0.00 0.00 55.06 54.13 1ofs s HIS 35 Cb -0.18 -1.58 -0.03 0.00 1.11 0.00 0.00 32.58 31.90 1ofs s HIS 35 CO 0.17 -0.51 -0.04 -1.21 -0.85 0.00 0.00 174.74 172.30 1ofs s GLU 36 N 0.83 0.49 -0.09 1.40 2.02 -1.26 -5.08 118.70 117.01 1ofs s GLU 36 Ca -0.09 -0.89 0.04 0.00 0.02 0.00 0.00 54.97 54.05 1ofs s GLU 36 Cb -0.16 0.05 -0.01 0.00 0.10 0.00 0.00 34.13 34.12 1ofs s GLU 36 CO -0.00 -0.05 -0.23 0.08 0.02 0.00 0.00 175.26 175.08 1ofs s VAL 37 N -2.43 2.20 -0.12 2.63 1.01 -1.26 -5.03 120.40 117.41 1ofs s VAL 37 Ca -0.05 -0.99 0.16 0.00 0.00 0.00 0.00 61.98 61.11 1ofs s VAL 37 Cb -0.03 -1.84 -0.23 0.00 0.00 0.00 0.00 36.38 34.28 1ofs s VAL 37 CO -0.04 0.56 0.41 0.18 0.00 0.00 0.00 175.10 176.22 1ofs n LEU 38 N 3.28 0.42 -3.47 3.92 4.32 -1.26 -5.01 117.00 119.20 1ofs n LEU 38 Ca -0.18 0.20 -0.13 0.00 -0.02 0.00 0.00 56.01 55.88 1ofs n LEU 38 Cb 0.53 0.29 -0.03 0.00 -1.62 0.00 0.00 43.42 42.58 1ofs n LEU 38 CO 0.27 0.37 0.50 -0.94 -1.22 0.00 0.00 177.39 176.37 1ofs s SER 39 N -5.66 -0.53 -0.24 -1.43 1.04 -1.26 -5.18 113.70 100.45 1ofs s SER 39 Ca -0.07 0.21 -0.17 0.00 0.48 0.00 0.00 55.95 56.39 1ofs s SER 39 Cb 0.08 0.52 0.07 0.00 0.10 0.00 0.00 66.02 66.78 1ofs s SER 39 CO 0.83 -0.76 0.60 0.86 0.98 0.00 0.00 173.24 175.75 1ofs s TRP 40 N -2.79 -0.80 0.06 5.02 -0.00 -1.26 -5.16 118.94 114.00 1ofs s TRP 40 Ca -0.01 1.75 0.01 0.00 -0.00 0.00 0.00 56.10 57.85 1ofs s TRP 40 Cb -0.01 0.38 -0.03 0.00 -0.00 0.00 0.00 33.47 33.81 1ofs s TRP 40 CO -0.05 -0.40 -0.05 -1.54 -0.00 0.00 0.00 176.95 174.90 1ofs s SER 41 N 0.98 0.74 -0.09 5.86 1.04 -1.26 -5.17 113.70 115.81 1ofs s SER 41 Ca -0.05 -0.80 -0.21 0.00 0.48 0.00 0.00 55.95 55.37 1ofs s SER 41 Cb -0.05 0.11 0.05 0.00 0.10 0.00 0.00 66.02 66.22 1ofs s SER 41 CO -0.09 -0.40 0.50 0.12 0.98 0.00 0.00 173.24 174.34 1ofs s PHE 42 N -2.75 -0.46 -0.16 5.02 5.36 -1.26 -5.16 117.98 118.57 1ofs s PHE 42 Ca 0.00 0.92 -0.08 0.00 -0.96 0.00 0.00 56.93 56.81 1ofs s PHE 42 Cb -0.01 0.23 0.06 0.00 -0.34 0.00 0.00 43.02 42.96 1ofs s PHE 42 CO -0.04 -0.42 0.37 -1.58 -1.46 0.00 0.00 175.22 172.09 1ofs s HIS 43 N -0.74 -0.56 0.08 10.12 5.65 -1.26 -5.16 115.29 123.42 1ofs s HIS 43 Ca -0.08 1.20 0.06 0.00 0.25 0.00 0.00 55.06 56.50 1ofs s HIS 43 Cb -0.03 0.22 -0.03 0.00 -1.18 0.00 0.00 32.58 31.56 1ofs s HIS 43 CO 0.05 -0.34 -0.17 0.45 -0.65 0.00 0.00 174.74 174.08 1ofs s SER 44 N 1.54 2.05 -0.09 9.88 0.15 -1.26 -5.14 113.70 120.83 1ofs s SER 44 Ca -0.08 -0.62 -0.03 0.00 0.70 0.00 0.00 55.95 55.91 1ofs s SER 44 Cb -0.09 -0.10 0.04 0.00 -1.71 0.00 0.00 66.02 64.17 1ofs s SER 44 CO -0.12 -0.00 0.10 -0.70 1.20 0.00 0.00 173.24 173.72 1ofs s GLU 45 N -1.72 -0.01 -0.16 5.44 2.12 -1.26 -5.13 118.70 117.99 1ofs s GLU 45 Ca 0.02 0.32 -0.01 0.00 0.36 0.00 0.00 54.97 55.66 1ofs s GLU 45 Cb -0.10 -0.77 -0.01 0.00 0.26 0.00 0.00 34.13 33.51 1ofs s GLU 45 CO 0.03 -0.42 -0.13 -1.17 -0.54 0.00 0.00 175.26 173.04 1ofs s LEU 46 N 2.20 2.64 0.45 2.70 2.96 -1.26 -5.13 118.68 123.24 1ofs s LEU 46 Ca 0.04 -0.40 -0.02 0.00 -0.22 0.00 0.00 54.13 53.52 1ofs s LEU 46 Cb -0.13 -1.61 -0.02 0.00 0.50 0.00 0.00 46.19 44.92 1ofs s LEU 46 CO -0.05 0.10 0.70 -0.44 -1.32 0.00 0.00 176.35 175.33 1ofs s SER 47 N 0.76 6.10 0.00 3.68 0.01 -1.26 -5.37 113.70 117.62 1ofs s SER 47 Ca -0.05 0.62 0.16 0.00 1.31 0.00 0.00 55.95 57.98 1ofs s SER 47 Cb -0.15 -1.97 0.12 0.00 0.21 0.00 0.00 66.02 64.24 1ofs s SER 47 CO 0.01 -0.57 0.99 0.61 0.41 0.00 0.00 173.24 174.69