#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2el6 s SER 2 N 0.00 2.07 -0.82 1.61 0.15 -1.26 -5.09 113.70 110.37 2el6 s SER 2 Ca 0.00 -0.36 -0.24 0.00 0.70 0.00 0.00 55.95 56.06 2el6 s SER 2 Cb 0.00 -0.95 0.06 0.00 -1.71 0.00 0.00 66.02 63.42 2el6 s SER 2 CO 0.00 0.06 1.22 -0.44 1.20 0.00 0.00 173.24 175.28 2el6 s SER 3 N 0.57 6.32 0.00 5.45 0.01 -1.26 -4.58 113.70 120.21 2el6 s SER 3 Ca -0.15 -1.08 0.00 0.00 1.31 0.00 0.00 55.95 56.02 2el6 s SER 3 Cb -0.16 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.57 2el6 s SER 3 CO 0.05 -1.54 0.00 0.61 0.41 0.00 0.00 173.24 172.77 2el6 n GLY 4 N 5.76 1.19 2.71 3.44 0.00 -1.26 -5.10 105.19 111.93 2el6 n GLY 4 Ca 0.12 -0.78 -0.30 0.00 0.00 0.00 0.00 46.02 45.07 2el6 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2el6 s SER 5 N 0.00 3.70 -0.24 1.61 0.01 -1.26 -5.09 113.70 112.43 2el6 s SER 5 Ca 0.00 -2.40 -0.03 0.00 1.31 0.00 0.00 55.95 54.83 2el6 s SER 5 Cb 0.00 -0.97 0.01 0.00 0.21 0.00 0.00 66.02 65.26 2el6 s SER 5 CO 0.00 -0.30 -0.04 -0.44 0.41 0.00 0.00 173.24 172.87 2el6 s SER 6 N 0.65 4.34 -0.92 2.44 0.01 -1.26 -4.58 113.70 114.37 2el6 s SER 6 Ca 0.16 -0.60 -0.02 0.00 1.31 0.00 0.00 55.95 56.80 2el6 s SER 6 Cb -0.23 -1.72 0.00 0.00 0.21 0.00 0.00 66.02 64.29 2el6 s SER 6 CO -0.04 -0.08 0.28 0.61 0.41 0.00 0.00 173.24 174.42 2el6 n GLY 7 N 4.75 -0.03 3.55 3.44 0.00 -1.26 -4.92 105.19 110.72 2el6 n GLY 7 Ca -0.17 -0.28 -0.36 0.00 0.00 0.00 0.00 46.02 45.21 2el6 n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2el6 s ALA 8 N -2.84 2.14 0.48 4.61 0.00 -1.26 -4.94 121.76 119.95 2el6 s ALA 8 Ca 0.14 -1.12 -0.19 0.00 0.00 0.00 0.00 51.96 50.79 2el6 s ALA 8 Cb -0.06 -4.39 -0.15 0.00 0.00 0.00 0.00 23.12 18.52 2el6 s ALA 8 CO 0.17 -4.06 0.02 0.41 0.00 0.00 0.00 175.76 172.30 2el6 n GLY 9 N 6.08 -2.87 2.90 0.00 0.00 -1.26 -4.93 105.19 105.11 2el6 n GLY 9 Ca 0.25 -0.13 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 2el6 n GLY 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2el6 s VAL 10 N -1.87 2.90 0.02 1.61 0.11 -1.26 -5.07 120.40 116.84 2el6 s VAL 10 Ca 0.59 -4.26 0.09 0.00 -2.93 0.00 0.00 61.98 55.46 2el6 s VAL 10 Cb -0.54 -2.91 -0.03 0.00 -1.53 0.00 0.00 36.38 31.38 2el6 s VAL 10 CO 0.64 -1.00 -0.26 0.20 -3.33 0.00 0.00 175.10 171.35 2el6 s ASN 11 N -1.43 3.18 0.46 3.54 0.01 -1.26 -5.02 114.94 114.41 2el6 s ASN 11 Ca 0.25 -0.54 0.25 0.00 -0.71 0.00 0.00 52.86 52.11 2el6 s ASN 11 Cb -0.05 -0.33 1.05 0.00 0.41 0.00 0.00 41.25 42.33 2el6 s ASN 11 CO -0.16 0.28 1.89 1.55 -1.51 0.00 0.00 177.10 179.15 2el6 h PRO 12 N 5.01 0.00 -3.81 -0.60 0.13 -1.88 -3.42 132.00 127.42 2el6 h PRO 12 Ca -0.45 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.27 2el6 h PRO 12 Cb 1.14 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 31.91 2el6 h PRO 12 CO 0.45 0.21 -0.76 0.71 -0.23 0.00 0.00 178.00 178.37 2el6 s TYR 13 N -3.79 0.60 -0.13 1.56 2.02 -1.03 -5.02 117.35 111.56 2el6 s TYR 13 Ca -0.00 -0.13 0.01 0.00 -0.37 0.00 0.00 57.07 56.57 2el6 s TYR 13 Cb 0.11 -0.65 0.02 0.00 -0.40 0.00 0.00 41.96 41.04 2el6 s TYR 13 CO 0.62 -0.23 -0.15 0.21 -1.57 0.00 0.00 175.55 174.43 2el6 s LYS 14 N 1.37 2.34 0.03 -0.62 2.36 -1.26 -0.20 119.74 123.76 2el6 s LYS 14 Ca -0.04 -0.59 -0.34 0.00 -2.55 0.00 0.00 55.97 52.45 2el6 s LYS 14 Cb -0.13 -2.05 -0.12 0.00 -1.05 0.00 0.00 37.83 34.48 2el6 s LYS 14 CO -0.02 -0.14 1.76 0.00 1.55 0.00 0.00 175.35 178.50 2el6 h SER 16 N 7.87 0.00 0.62 0.00 0.02 -1.99 -3.32 113.55 116.75 2el6 h SER 16 Ca -0.47 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.45 2el6 h SER 16 Cb 1.26 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.81 2el6 h SER 16 CO 0.92 0.58 -0.30 1.56 -1.14 0.00 0.00 176.83 178.46 2el6 h GLN 17 N 0.00 -0.80 0.00 3.45 1.08 -1.95 -3.47 115.11 113.42 2el6 h GLN 17 Ca -0.01 0.05 -0.33 0.00 -1.45 0.00 0.00 58.65 56.92 2el6 h GLN 17 Cb 1.12 0.18 -0.06 0.00 -0.05 0.00 0.00 27.48 28.68 2el6 h GLN 17 CO 0.08 -0.53 -0.23 0.00 -0.95 0.00 0.00 178.83 177.20 2el6 n GLU 19 N -0.73 1.20 -3.63 0.00 0.28 -1.26 -4.43 120.64 112.06 2el6 n GLU 19 Ca -0.09 -0.38 -0.25 0.00 -0.16 0.00 0.00 57.16 56.28 2el6 n GLU 19 Cb 0.33 -1.15 -0.02 0.00 1.43 0.00 0.00 31.44 32.03 2el6 n GLU 19 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2el6 s LYS 20 N -0.44 3.49 0.14 3.44 -0.14 -1.26 -4.96 119.74 120.00 2el6 s LYS 20 Ca 0.08 -0.43 -0.17 0.00 -1.36 0.00 0.00 55.97 54.08 2el6 s LYS 20 Cb 0.06 -2.78 0.04 0.00 -1.68 0.00 0.00 37.83 33.47 2el6 s LYS 20 CO -0.00 0.31 0.44 -1.54 -0.76 0.00 0.00 175.35 173.80 2el6 s SER 21 N -3.69 -0.29 0.05 2.83 1.04 -1.26 0.11 113.70 112.50 2el6 s SER 21 Ca 0.38 -0.29 -0.16 0.00 0.48 0.00 0.00 55.95 56.37 2el6 s SER 21 Cb -0.10 0.50 0.03 0.00 0.10 0.00 0.00 66.02 66.55 2el6 s SER 21 CO 0.32 -0.89 0.36 -0.36 0.98 0.00 0.00 173.24 173.65 2el6 s PHE 22 N -3.80 -0.18 -2.05 5.02 0.40 0.72 -4.93 117.98 113.16 2el6 s PHE 22 Ca 0.03 0.06 0.29 0.00 -0.60 0.00 0.00 56.93 56.71 2el6 s PHE 22 Cb 0.01 0.16 1.27 0.00 0.51 0.00 0.00 43.02 44.98 2el6 s PHE 22 CO -0.11 -0.56 1.87 0.45 0.70 0.00 0.00 175.22 177.57 2el6 n SER 23 N 0.43 0.79 -4.04 1.36 2.88 -1.26 -2.45 113.62 111.32 2el6 n SER 23 Ca -0.18 -1.04 -0.26 0.00 -1.33 0.00 0.00 58.87 56.06 2el6 n SER 23 Cb 0.60 -0.01 -0.17 0.00 -0.75 0.00 0.00 64.21 63.89 2el6 n SER 23 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2el6 s GLY 24 N -2.20 0.89 0.22 0.46 0.00 -1.26 -4.83 107.32 100.60 2el6 s GLY 24 Ca 0.36 -0.53 -0.11 0.00 0.00 0.00 0.00 44.72 44.45 2el6 s GLY 24 CO 0.40 0.12 1.65 1.70 0.00 0.00 0.00 173.10 176.97 2el6 h LYS 25 N 7.06 0.09 0.16 2.90 1.63 -1.96 -2.67 116.57 123.79 2el6 h LYS 25 Ca -0.29 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.50 2el6 h LYS 25 Cb 1.19 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.79 2el6 h LYS 25 CO 0.47 0.06 -0.15 1.25 -3.45 0.00 0.00 179.45 177.63 2el6 h LEU 26 N 0.09 -0.39 -0.56 5.20 7.12 -1.99 -2.53 115.31 122.25 2el6 h LEU 26 Ca 0.33 0.03 0.18 0.00 0.13 0.00 0.00 57.88 58.55 2el6 h LEU 26 Cb 0.55 0.13 -0.10 0.00 -0.53 0.00 0.00 40.66 40.70 2el6 h LEU 26 CO -0.58 -0.20 0.10 0.54 -0.13 0.00 0.00 178.44 178.18 2el6 n ARG 27 N -3.18 -0.04 0.26 1.25 5.12 -1.03 0.29 116.66 119.33 2el6 n ARG 27 Ca -0.04 0.82 -0.10 0.00 -1.93 0.00 0.00 57.85 56.60 2el6 n ARG 27 Cb 0.14 -1.35 -0.05 0.00 -1.16 0.00 0.00 32.46 30.04 2el6 n ARG 27 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 2el6 h LEU 28 N 0.00 -0.56 -0.59 0.55 5.85 -1.21 -1.65 115.31 117.70 2el6 h LEU 28 Ca 0.38 0.02 0.06 0.00 0.84 0.00 0.00 57.88 59.18 2el6 h LEU 28 Cb 0.87 0.14 -0.08 0.00 0.37 0.00 0.00 40.66 41.96 2el6 h LEU 28 CO -0.50 -0.38 -0.46 -0.07 -0.34 0.00 0.00 178.44 176.69 2el6 h LEU 29 N -0.70 -1.64 -1.65 2.25 -0.00 0.18 0.81 115.31 114.57 2el6 h LEU 29 Ca -0.07 0.23 0.26 0.00 -0.00 0.00 0.00 57.88 58.31 2el6 h LEU 29 Cb 0.50 0.70 -0.07 0.00 -0.00 0.00 0.00 40.66 41.80 2el6 h LEU 29 CO 0.11 -0.25 0.68 1.62 -0.00 0.00 0.00 178.44 180.60 2el6 h VAL 30 N -0.15 0.54 0.03 1.22 3.04 -1.40 0.43 116.25 119.97 2el6 h VAL 30 Ca 0.10 -0.08 -0.21 0.00 -1.01 0.00 0.00 66.70 65.49 2el6 h VAL 30 Cb 0.40 0.28 -0.02 0.00 -2.01 0.00 0.00 31.29 29.94 2el6 h VAL 30 CO -0.63 0.04 -0.99 -0.74 -1.01 0.00 0.00 177.57 174.24 2el6 h HIS 31 N 0.24 0.16 0.00 3.17 -0.00 0.12 -3.16 115.15 115.69 2el6 h HIS 31 Ca 0.53 -0.11 0.00 0.00 -0.00 0.00 0.00 60.37 60.79 2el6 h HIS 31 Cb 1.61 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 29.01 2el6 h HIS 31 CO -0.00 1.02 0.00 1.96 -0.00 0.00 0.00 177.93 180.91 2el6 h GLN 32 N 0.04 0.00 -0.20 5.26 4.20 0.49 -2.84 115.11 122.06 2el6 h GLN 32 Ca -0.04 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.58 2el6 h GLN 32 Cb 1.69 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.46 2el6 h GLN 32 CO 0.14 0.00 -0.25 0.07 -0.67 0.00 0.00 178.83 178.12 2el6 h ARG 33 N 0.00 0.37 -0.52 1.46 0.11 -1.30 -2.65 114.38 111.85 2el6 h ARG 33 Ca 0.00 -0.13 0.12 0.00 0.10 0.00 0.00 59.98 60.07 2el6 h ARG 33 Cb 0.47 -0.03 -0.03 0.00 1.11 0.00 0.00 29.97 31.50 2el6 h ARG 33 CO 0.00 0.60 0.36 0.52 0.10 0.00 0.00 179.97 181.55 2el6 h MET 34 N 0.33 0.16 -1.93 0.08 2.86 -1.66 -2.24 114.93 112.53 2el6 h MET 34 Ca 0.05 -0.01 -0.25 0.00 -2.06 0.00 0.00 59.70 57.43 2el6 h MET 34 Cb 0.62 -0.04 -0.09 0.00 0.06 0.00 0.00 31.60 32.15 2el6 h MET 34 CO 0.04 0.11 -0.01 0.72 1.06 0.00 0.00 176.91 178.83 2el6 n HIS 35 N -4.43 0.61 -4.27 -0.22 8.25 -1.00 -4.88 115.22 109.28 2el6 n HIS 35 Ca 0.09 -1.57 -0.29 0.00 -0.26 0.00 0.00 57.72 55.69 2el6 n HIS 35 Cb 0.48 -1.24 -0.10 0.00 1.12 0.00 0.00 29.99 30.24 2el6 n HIS 35 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 2el6 s THR 36 N -0.45 3.10 -0.08 1.59 -1.32 -0.84 -5.11 115.64 112.53 2el6 s THR 36 Ca 0.47 -1.47 -0.02 0.00 -1.21 0.00 0.00 61.69 59.46 2el6 s THR 36 Cb 0.26 -2.46 0.03 0.00 -1.51 0.00 0.00 72.50 68.82 2el6 s THR 36 CO -0.06 0.05 0.03 -0.13 -2.21 0.00 0.00 174.62 172.31 2el6 s ARG 37 N -2.34 0.29 -0.19 7.08 0.52 -1.26 -5.03 118.95 118.02 2el6 s ARG 37 Ca 0.21 0.17 -0.23 0.00 -0.52 0.00 0.00 55.73 55.35 2el6 s ARG 37 Cb -0.10 -0.94 -0.21 0.00 0.52 0.00 0.00 34.95 34.22 2el6 s ARG 37 CO 0.13 -0.37 0.37 1.49 0.02 0.00 0.00 175.30 176.93 2el6 h GLU 38 N 8.37 0.01 -6.64 3.54 4.81 -2.02 -3.48 114.58 119.18 2el6 h GLU 38 Ca -0.16 -0.02 -0.67 0.00 -0.13 0.00 0.00 59.36 58.38 2el6 h GLU 38 Cb 1.12 0.01 -0.17 0.00 0.63 0.00 0.00 28.75 30.34 2el6 h GLU 38 CO 0.22 1.01 -0.77 -1.59 -0.73 0.00 0.00 179.01 177.15 2el6 s LYS 39 N -2.33 1.90 -1.19 1.92 0.00 -1.26 -5.04 119.74 113.74 2el6 s LYS 39 Ca -0.26 -1.16 -0.23 0.00 0.00 0.00 0.00 55.97 54.32 2el6 s LYS 39 Cb 0.04 -2.16 -0.09 0.00 0.00 0.00 0.00 37.83 35.62 2el6 s LYS 39 CO 0.62 0.48 1.93 -1.25 0.00 0.00 0.00 175.35 177.14 2el6 s PRO 40 N -2.27 2.50 0.00 1.78 0.04 -1.26 -4.84 135.00 130.95 2el6 s PRO 40 Ca 0.20 -1.17 0.00 0.00 0.04 0.00 0.00 61.00 60.06 2el6 s PRO 40 Cb -0.10 -5.25 0.00 0.00 0.04 0.00 0.00 34.50 29.19 2el6 s PRO 40 CO 0.12 -3.98 0.76 0.43 0.04 0.00 0.00 177.00 174.37 2el6 n SER 41 N 14.36 0.00 -4.81 6.66 7.64 -1.26 -4.78 113.62 131.43 2el6 n SER 41 Ca 0.45 0.76 -0.22 0.00 1.01 0.00 0.00 58.87 60.87 2el6 n SER 41 Cb 0.47 -0.26 -0.05 0.00 -1.01 0.00 0.00 64.21 63.36 2el6 n SER 41 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2el6 s GLY 42 N -0.52 2.05 1.01 0.23 0.00 -1.26 -5.13 107.32 103.70 2el6 s GLY 42 Ca 0.00 -1.86 -0.12 0.00 0.00 0.00 0.00 44.72 42.73 2el6 s GLY 42 CO 0.00 -1.73 1.09 2.56 0.00 0.00 0.00 173.10 175.03 2el6 s PRO 43 N -3.99 0.36 0.16 2.90 0.04 -1.26 -4.98 135.00 128.22 2el6 s PRO 43 Ca 0.43 0.51 -0.30 0.00 0.04 0.00 0.00 61.00 61.67 2el6 s PRO 43 Cb -0.02 -1.73 -0.08 0.00 0.04 0.00 0.00 34.50 32.71 2el6 s PRO 43 CO 0.25 -2.77 1.20 -1.12 0.04 0.00 0.00 177.00 174.60 2el6 s SER 44 N -3.45 7.08 0.16 6.66 0.01 -1.26 -5.03 113.70 117.88 2el6 s SER 44 Ca 0.65 2.19 -0.09 0.00 1.31 0.00 0.00 55.95 60.02 2el6 s SER 44 Cb -0.19 -2.60 -0.01 0.00 0.21 0.00 0.00 66.02 63.43 2el6 s SER 44 CO 0.58 -0.40 0.27 -0.94 0.41 0.00 0.00 173.24 173.16 2el6 s SER 45 N 0.34 0.05 0.00 2.44 1.04 -1.26 -5.31 113.70 111.00 2el6 s SER 45 Ca 0.54 -0.88 0.00 0.00 0.48 0.00 0.00 55.95 56.09 2el6 s SER 45 Cb -0.32 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.23 2el6 s SER 45 CO 0.35 -0.88 0.00 0.61 0.98 0.00 0.00 173.24 174.30