#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ssl n SER 2 N 0.00 0.05 -2.41 1.61 7.64 -1.26 -5.07 113.62 114.18 1ssl n SER 2 Ca 0.00 0.02 -0.01 0.00 1.01 0.00 0.00 58.87 59.89 1ssl n SER 2 Cb 0.00 1.76 -0.01 0.00 -1.01 0.00 0.00 64.21 64.94 1ssl n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ssl n ALA 3 N -2.33 -2.30 -2.45 -0.43 0.00 -1.26 -4.97 120.51 106.77 1ssl n ALA 3 Ca -0.08 0.90 -0.04 0.00 0.00 0.00 0.00 53.44 54.22 1ssl n ALA 3 Cb 0.66 -2.16 0.05 0.00 0.00 0.00 0.00 19.45 18.00 1ssl n ALA 3 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1ssl n MET 4 N 1.85 1.77 0.00 0.00 0.00 -1.26 -4.90 117.12 114.58 1ssl n MET 4 Ca -0.10 -3.31 0.00 0.00 0.00 0.00 0.00 57.70 54.29 1ssl n MET 4 Cb 0.15 -1.42 0.00 0.00 0.00 0.00 0.00 33.22 31.95 1ssl n MET 4 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1ssl n GLY 5 N -0.44 2.89 0.07 3.03 0.00 -1.26 -5.02 105.19 104.47 1ssl n GLY 5 Ca 0.16 0.07 -0.07 0.00 0.00 0.00 0.00 46.02 46.19 1ssl n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ssl n ARG 7 N -3.20 0.11 -0.00 0.00 0.63 -1.26 -0.52 116.66 112.40 1ssl n ARG 7 Ca -0.07 0.60 0.09 0.00 -0.92 0.00 0.00 57.85 57.55 1ssl n ARG 7 Cb 0.97 -1.86 -0.12 0.00 0.45 0.00 0.00 32.46 31.91 1ssl n ARG 7 CO 0.00 0.00 0.00 1.58 -2.51 0.00 0.00 177.63 176.70 1ssl n HIS 8 N -2.07 0.00 -0.21 -0.14 -0.00 -1.23 -4.99 115.22 106.58 1ssl n HIS 8 Ca -0.01 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.63 1ssl n HIS 8 Cb 0.03 -0.19 0.08 0.00 -0.00 0.00 0.00 29.99 29.92 1ssl n HIS 8 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 1ssl n PHE 9 N -1.73 -1.88 -0.00 1.57 3.01 0.32 -5.00 117.46 113.74 1ssl n PHE 9 Ca 0.00 -0.08 -0.00 0.00 1.01 0.00 0.00 57.45 58.38 1ssl n PHE 9 Cb 0.36 -0.61 -0.00 0.00 -0.01 0.00 0.00 39.48 39.22 1ssl n PHE 9 CO 0.00 0.00 0.00 0.94 1.01 0.00 0.00 176.76 178.71 1ssl n GLN 10 N -1.56 0.02 0.00 -1.08 7.27 -1.26 -5.05 117.38 115.72 1ssl n GLN 10 Ca 0.04 0.08 0.00 0.00 0.07 0.00 0.00 57.00 57.18 1ssl n GLN 10 Cb 0.16 -0.61 0.00 0.00 2.41 0.00 0.00 30.24 32.21 1ssl n GLN 10 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 1ssl n SER 11 N -2.52 0.00 0.08 1.69 3.41 -1.26 -5.01 113.62 110.01 1ssl n SER 11 Ca -0.00 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.73 1ssl n SER 11 Cb 0.02 0.00 0.30 0.00 -0.26 0.00 0.00 64.21 64.27 1ssl n SER 11 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ssl h SER 13 N 0.00 -1.49 0.76 0.00 0.02 -1.98 -0.44 113.55 110.42 1ssl h SER 13 Ca 0.00 0.16 -0.25 0.00 -0.84 0.00 0.00 61.79 60.86 1ssl h SER 13 Cb 0.73 0.55 -0.02 0.00 0.14 0.00 0.00 62.40 63.80 1ssl h SER 13 CO 0.00 -0.52 -1.25 -0.61 -1.14 0.00 0.00 176.83 173.31 1ssl h GLN 14 N -0.69 0.08 -0.22 3.45 5.75 -1.96 -1.47 115.11 120.04 1ssl h GLN 14 Ca -0.00 -0.14 0.06 0.00 -0.15 0.00 0.00 58.65 58.42 1ssl h GLN 14 Cb 0.70 0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.30 1ssl h GLN 14 CO -0.28 0.96 0.20 0.00 -2.65 0.00 0.00 178.83 177.06 1ssl n LEU 16 N -4.05 0.19 0.02 0.00 4.32 -0.19 -4.45 117.00 112.84 1ssl n LEU 16 Ca 0.02 -0.22 0.13 0.00 -0.02 0.00 0.00 56.01 55.93 1ssl n LEU 16 Cb 0.34 0.00 0.49 0.00 -1.62 0.00 0.00 43.42 42.63 1ssl n LEU 16 CO 0.31 0.05 0.83 -0.24 -1.22 0.00 0.00 177.39 177.11 1ssl n SER 17 N -1.56 0.28 -3.12 -1.43 2.88 -0.56 -4.19 113.62 105.93 1ssl n SER 17 Ca -0.00 0.37 -0.17 0.00 -1.33 0.00 0.00 58.87 57.74 1ssl n SER 17 Cb 0.20 -0.40 -0.01 0.00 -0.75 0.00 0.00 64.21 63.25 1ssl n SER 17 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ssl n ALA 18 N -1.57 1.56 0.14 -1.46 0.00 -0.80 -4.93 120.51 113.44 1ssl n ALA 18 Ca 0.06 -3.09 -0.01 0.00 0.00 0.00 0.00 53.44 50.40 1ssl n ALA 18 Cb 0.36 -0.96 0.16 0.00 0.00 0.00 0.00 19.45 19.01 1ssl n ALA 18 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1ssl h PRO 19 N 3.03 0.00 0.02 0.00 0.13 -1.78 -2.90 132.00 130.50 1ssl h PRO 19 Ca 0.07 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.99 1ssl h PRO 19 Cb 0.99 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.11 1ssl h PRO 19 CO 0.44 0.62 -0.95 -1.00 -0.23 0.00 0.00 178.00 176.88 1ssl h PRO 20 N 0.00 0.17 -0.08 1.56 0.13 -1.94 -3.10 132.00 128.75 1ssl h PRO 20 Ca -0.01 -0.21 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 1ssl h PRO 20 Cb 1.13 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1ssl h PRO 20 CO 0.08 0.99 0.00 1.19 -0.23 0.00 0.00 178.00 180.03 1ssl n PHE 21 N -3.59 0.09 -3.31 1.56 3.72 -1.21 -4.89 117.46 109.84 1ssl n PHE 21 Ca -0.04 -0.05 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 1ssl n PHE 21 Cb 0.86 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.40 1ssl n PHE 21 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 1ssl n VAL 22 N -0.14 0.00 0.00 -4.37 0.24 -1.10 -4.07 118.33 108.89 1ssl n VAL 22 Ca 0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.47 1ssl n VAL 22 Cb 0.24 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.61 1ssl n VAL 22 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 1ssl n GLN 23 N 0.00 0.00 -0.68 7.34 7.27 -1.26 -4.93 117.38 125.12 1ssl n GLN 23 Ca 0.00 0.00 -0.29 0.00 0.07 0.00 0.00 57.00 56.78 1ssl n GLN 23 Cb 0.00 -0.17 0.26 0.00 2.41 0.00 0.00 30.24 32.74 1ssl n GLN 23 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1ssl n GLY 25 N 0.38 1.87 3.79 0.00 0.00 0.07 -4.87 105.19 106.43 1ssl n GLY 25 Ca 0.09 -1.50 -0.39 0.00 0.00 0.00 0.00 46.02 44.22 1ssl n GLY 25 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1ssl s TRP 26 N -2.98 3.73 -0.30 1.61 -0.11 0.13 0.30 118.94 121.32 1ssl s TRP 26 Ca 0.24 1.20 -0.03 0.00 1.22 0.00 0.00 56.10 58.72 1ssl s TRP 26 Cb -0.02 -2.53 0.11 0.00 -1.50 0.00 0.00 33.47 29.53 1ssl s TRP 26 CO 0.17 0.47 0.17 0.00 -4.62 0.00 0.00 176.95 173.14 1ssl n HIS 28 N 5.14 0.00 0.00 0.00 -0.00 -1.26 -3.73 115.22 115.37 1ssl n HIS 28 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.68 1ssl n HIS 28 Cb 0.42 -1.26 0.00 0.00 -0.00 0.00 0.00 29.99 29.16 1ssl n HIS 28 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 1ssl n ASP 29 N 0.00 0.00 -4.95 0.26 -0.08 -1.26 -5.15 116.55 105.37 1ssl n ASP 29 Ca 0.00 0.00 -0.23 0.00 -1.51 0.00 0.00 54.79 53.05 1ssl n ASP 29 Cb 0.00 0.00 0.01 0.00 2.34 0.00 0.00 41.12 43.47 1ssl n ASP 29 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 1ssl s LYS 30 N 0.00 3.09 -0.54 -0.67 2.20 -1.24 -5.02 119.74 117.55 1ssl s LYS 30 Ca 0.00 -0.46 -0.21 0.00 -0.36 0.00 0.00 55.97 54.94 1ssl s LYS 30 Cb 0.00 -2.55 0.06 0.00 -1.51 0.00 0.00 37.83 33.82 1ssl s LYS 30 CO 0.00 -0.26 0.78 0.00 -0.36 0.00 0.00 175.35 175.52 1ssl s VAL 32 N 3.27 0.00 0.36 0.00 -7.23 0.88 -4.66 120.40 113.02 1ssl s VAL 32 Ca 0.21 -1.65 0.08 0.00 -1.81 0.00 0.00 61.98 58.81 1ssl s VAL 32 Cb -0.17 -2.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.22 1ssl s VAL 32 CO 0.14 0.00 0.20 -0.60 -0.31 0.00 0.00 175.10 174.53 1ssl s ARG 33 N -3.47 2.42 0.52 4.82 3.52 -1.26 -0.75 118.95 124.76 1ssl s ARG 33 Ca 0.31 -1.56 0.38 0.00 -0.13 0.00 0.00 55.73 54.73 1ssl s ARG 33 Cb 0.01 -2.22 1.30 0.00 -1.56 0.00 0.00 34.95 32.48 1ssl s ARG 33 CO 0.17 0.03 1.32 -1.13 -0.81 0.00 0.00 175.30 174.88 1ssl n SER 34 N -1.25 0.00 -0.16 -2.12 3.41 -1.26 0.13 113.62 112.36 1ssl n SER 34 Ca -0.02 0.82 0.04 0.00 -0.26 0.00 0.00 58.87 59.45 1ssl n SER 34 Cb 0.62 -0.37 0.32 0.00 -0.26 0.00 0.00 64.21 64.52 1ssl n SER 34 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1ssl h GLU 35 N 0.00 0.80 -0.00 4.33 5.08 -2.02 -3.17 114.58 119.59 1ssl h GLU 35 Ca 0.70 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 59.02 1ssl h GLU 35 Cb 3.15 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 32.22 1ssl h GLU 35 CO -0.01 0.53 -0.08 0.39 -1.00 0.00 0.00 179.01 178.84 1ssl n GLU 36 N -4.46 6.20 -2.10 2.33 1.02 0.34 -4.91 120.64 119.07 1ssl n GLU 36 Ca 0.08 -0.02 -0.28 0.00 -0.02 0.00 0.00 57.16 56.92 1ssl n GLU 36 Cb 0.12 -0.59 -0.05 0.00 -0.02 0.00 0.00 31.44 30.90 1ssl n GLU 36 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ssl n LEU 38 N 13.48 0.00 0.25 0.00 7.99 -1.26 -3.41 117.00 134.05 1ssl n LEU 38 Ca 0.40 0.00 0.14 0.00 -0.01 0.00 0.00 56.01 56.54 1ssl n LEU 38 Cb 0.47 0.00 0.57 0.00 -0.11 0.00 0.00 43.42 44.35 1ssl n LEU 38 CO 0.61 0.00 0.90 0.77 -1.51 0.00 0.00 177.39 178.17 1ssl h SER 39 N 0.00 0.00 0.00 -1.43 4.64 -1.90 -3.46 113.55 111.40 1ssl h SER 39 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ssl h SER 39 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1ssl h SER 39 CO 0.00 0.11 0.00 0.61 -0.87 0.00 0.00 176.83 176.68 1ssl n GLY 40 N 0.09 2.97 2.69 -0.77 0.00 -1.22 -5.02 105.19 103.93 1ssl n GLY 40 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1ssl n GLY 40 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ssl s THR 41 N -2.76 0.12 -0.15 2.61 -1.32 -1.26 -5.12 115.64 107.76 1ssl s THR 41 Ca 0.00 -0.00 -0.20 0.00 -1.21 0.00 0.00 61.69 60.27 1ssl s THR 41 Cb 0.00 -0.53 -0.03 0.00 -1.51 0.00 0.00 72.50 70.43 1ssl s THR 41 CO 0.00 -0.02 0.58 0.86 -2.21 0.00 0.00 174.62 173.83 1ssl s TRP 42 N 2.06 3.45 0.32 9.09 -0.00 -1.26 -4.68 118.94 127.92 1ssl s TRP 42 Ca 0.03 0.95 0.08 0.00 -0.00 0.00 0.00 56.10 57.16 1ssl s TRP 42 Cb -0.14 -2.70 -0.06 0.00 -0.00 0.00 0.00 33.47 30.56 1ssl s TRP 42 CO -0.06 -0.01 -0.06 -0.08 -0.00 0.00 0.00 176.95 176.73 1ssl s THR 43 N 1.27 1.91 0.00 5.86 -1.32 -0.21 -5.00 115.64 118.15 1ssl s THR 43 Ca 0.29 -2.14 0.06 0.00 -1.21 0.00 0.00 61.69 58.69 1ssl s THR 43 Cb -0.16 -2.60 0.10 0.00 -1.51 0.00 0.00 72.50 68.34 1ssl s THR 43 CO 0.12 -0.22 0.94 0.00 -2.21 0.00 0.00 174.62 173.25 1ssl n GLN 44 N -0.71 0.00 -3.20 7.08 10.64 -1.26 0.17 117.38 130.10 1ssl n GLN 44 Ca -0.05 -1.05 -0.00 0.00 -1.83 0.00 0.00 57.00 54.07 1ssl n GLN 44 Cb 0.64 -0.18 -0.02 0.00 -0.86 0.00 0.00 30.24 29.82 1ssl n GLN 44 CO 0.00 0.00 0.00 1.14 -1.83 0.00 0.00 177.06 176.37 1ssl s GLN 45 N 0.00 0.51 0.00 2.61 -2.07 -1.26 -4.63 119.66 114.82 1ssl s GLN 45 Ca 0.08 0.60 0.00 0.00 -1.82 0.00 0.00 55.36 54.22 1ssl s GLN 45 Cb 0.09 0.15 0.00 0.00 -1.09 0.00 0.00 33.01 32.16 1ssl s GLN 45 CO -0.04 -0.87 0.00 1.51 -1.32 0.00 0.00 175.29 174.57 1ssl n ILE 46 N 5.40 0.00 -2.51 3.63 3.06 -1.26 -5.09 119.36 122.60 1ssl n ILE 46 Ca 0.01 0.00 -0.42 0.00 -2.50 0.00 0.00 62.75 59.85 1ssl n ILE 46 Cb 0.52 0.00 -0.03 0.00 0.54 0.00 0.00 39.64 40.66 1ssl n ILE 46 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05