#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eoi s SER 2 N 0.00 -0.32 0.13 1.61 0.15 -1.26 -5.19 113.70 108.83 2eoi s SER 2 Ca 0.00 -0.20 -0.25 0.00 0.70 0.00 0.00 55.95 56.20 2eoi s SER 2 Cb 0.00 0.48 0.08 0.00 -1.71 0.00 0.00 66.02 64.87 2eoi s SER 2 CO 0.00 -0.84 1.06 -0.94 1.20 0.00 0.00 173.24 173.72 2eoi s SER 3 N -2.73 -0.08 0.00 5.45 1.04 -1.26 -5.15 113.70 110.98 2eoi s SER 3 Ca 0.08 -0.47 0.00 0.00 0.48 0.00 0.00 55.95 56.04 2eoi s SER 3 Cb -0.02 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.53 2eoi s SER 3 CO -0.04 -0.82 0.00 0.61 0.98 0.00 0.00 173.24 173.97 2eoi n GLY 4 N -0.59 -1.46 3.30 7.32 0.00 -1.26 -5.05 105.19 107.45 2eoi n GLY 4 Ca -0.05 0.79 -0.44 0.00 0.00 0.00 0.00 46.02 46.32 2eoi n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2eoi s SER 5 N -4.00 7.07 0.19 1.61 0.01 -1.26 -5.02 113.70 112.29 2eoi s SER 5 Ca 0.00 -3.53 0.09 0.00 1.31 0.00 0.00 55.95 53.82 2eoi s SER 5 Cb 0.00 -2.16 -0.04 0.00 0.21 0.00 0.00 66.02 64.02 2eoi s SER 5 CO 0.00 -0.30 -0.09 -0.94 0.41 0.00 0.00 173.24 172.32 2eoi s SER 6 N 1.18 4.24 -1.12 2.44 1.04 -1.26 -4.75 113.70 115.46 2eoi s SER 6 Ca 0.29 -0.60 -0.32 0.00 0.48 0.00 0.00 55.95 55.80 2eoi s SER 6 Cb -0.10 -0.71 0.05 0.00 0.10 0.00 0.00 66.02 65.36 2eoi s SER 6 CO -0.09 0.10 0.63 0.61 0.98 0.00 0.00 173.24 175.47 2eoi n GLY 7 N -0.03 -0.78 3.55 7.32 0.00 -1.26 -4.73 105.19 109.26 2eoi n GLY 7 Ca -0.10 0.31 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 2eoi n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2eoi n GLU 8 N -4.75 2.26 -4.21 1.61 -0.58 -1.26 -4.30 120.64 109.42 2eoi n GLU 8 Ca -0.11 -2.78 -0.37 0.00 -0.42 0.00 0.00 57.16 53.48 2eoi n GLU 8 Cb 0.52 -3.61 -0.07 0.00 -0.57 0.00 0.00 31.44 27.71 2eoi n GLU 8 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2eoi n LYS 9 N 8.25 -0.93 -3.15 3.49 5.02 -1.26 -4.88 118.16 124.70 2eoi n LYS 9 Ca 0.47 0.12 -0.28 0.00 -2.02 0.00 0.00 58.31 56.60 2eoi n LYS 9 Cb 0.46 -4.46 -0.02 0.00 -0.02 0.00 0.00 35.03 30.99 2eoi n LYS 9 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2eoi s LEU 10 N -6.73 3.94 -0.17 -0.35 1.43 -1.26 -5.07 118.68 110.46 2eoi s LEU 10 Ca 0.72 0.76 -0.18 0.00 -1.03 0.00 0.00 54.13 54.40 2eoi s LEU 10 Cb -0.42 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.14 2eoi s LEU 10 CO 0.89 -0.32 0.47 -1.00 0.23 0.00 0.00 176.35 176.62 2eoi s HIS 11 N -2.30 3.42 0.30 0.29 3.76 -1.26 -4.98 115.29 114.52 2eoi s HIS 11 Ca 0.45 0.77 0.11 0.00 -0.15 0.00 0.00 55.06 56.24 2eoi s HIS 11 Cb -0.10 -2.59 -0.05 0.00 1.11 0.00 0.00 32.58 30.94 2eoi s HIS 11 CO 0.34 0.01 -0.17 -1.83 -0.85 0.00 0.00 174.74 172.24 2eoi s GLU 12 N 1.23 1.73 0.98 1.40 -1.05 -1.26 -2.30 118.70 119.43 2eoi s GLU 12 Ca 0.23 -1.81 -0.12 0.00 -0.15 0.00 0.00 54.97 53.13 2eoi s GLU 12 Cb -0.15 -1.76 0.18 0.00 -0.44 0.00 0.00 34.13 31.95 2eoi s GLU 12 CO 0.09 0.28 1.08 0.00 0.95 0.00 0.00 175.26 177.67 2eoi n SER 14 N -4.19 1.49 -0.09 0.00 2.88 -1.26 -3.22 113.62 109.23 2eoi n SER 14 Ca 0.06 -0.38 -0.23 0.00 -1.33 0.00 0.00 58.87 56.99 2eoi n SER 14 Cb 0.55 1.24 -0.12 0.00 -0.75 0.00 0.00 64.21 65.13 2eoi n SER 14 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2eoi n GLU 15 N -1.55 0.65 -0.00 -1.46 1.02 -1.26 -4.57 120.64 113.47 2eoi n GLU 15 Ca 0.00 0.29 0.06 0.00 -0.02 0.00 0.00 57.16 57.50 2eoi n GLU 15 Cb 0.22 -1.61 -0.08 0.00 -0.02 0.00 0.00 31.44 29.95 2eoi n GLU 15 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2eoi n ARG 17 N -1.55 -6.78 -3.57 0.00 5.12 -1.20 -4.97 116.66 103.71 2eoi n ARG 17 Ca 0.01 0.72 -0.35 0.00 -1.93 0.00 0.00 57.85 56.30 2eoi n ARG 17 Cb 0.25 -5.44 -0.05 0.00 -1.16 0.00 0.00 32.46 26.06 2eoi n ARG 17 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 2eoi s LYS 18 N -6.01 3.77 0.27 5.56 1.02 -1.26 -4.67 119.74 118.42 2eoi s LYS 18 Ca 0.44 0.19 -0.15 0.00 0.02 0.00 0.00 55.97 56.47 2eoi s LYS 18 Cb -0.19 -3.00 -0.08 0.00 -0.52 0.00 0.00 37.83 34.03 2eoi s LYS 18 CO 0.63 0.56 0.69 0.95 -0.92 0.00 0.00 175.35 177.26 2eoi s THR 19 N -1.39 4.71 0.06 2.17 -4.23 -1.26 0.05 115.64 115.74 2eoi s THR 19 Ca 0.33 0.93 0.03 0.00 -1.18 0.00 0.00 61.69 61.80 2eoi s THR 19 Cb -0.14 -3.68 -0.03 0.00 1.34 0.00 0.00 72.50 70.00 2eoi s THR 19 CO 0.18 -0.04 -0.10 -0.36 -0.54 0.00 0.00 174.62 173.76 2eoi s PHE 20 N -1.81 0.88 0.13 3.99 0.40 -0.97 -4.96 117.98 115.64 2eoi s PHE 20 Ca 0.49 -0.51 -0.17 0.00 -0.60 0.00 0.00 56.93 56.14 2eoi s PHE 20 Cb -0.12 -0.51 -0.02 0.00 0.51 0.00 0.00 43.02 42.88 2eoi s PHE 20 CO 0.19 -0.03 1.74 0.66 0.70 0.00 0.00 175.22 178.47 2eoi h SER 21 N 4.32 0.44 -3.59 1.36 4.64 -1.99 -3.39 113.55 115.33 2eoi h SER 21 Ca -0.37 -0.09 -0.36 0.00 -0.47 0.00 0.00 61.79 60.49 2eoi h SER 21 Cb 1.20 -0.11 -0.32 0.00 -0.31 0.00 0.00 62.40 62.85 2eoi h SER 21 CO 0.42 0.40 -0.76 -0.36 -0.87 0.00 0.00 176.83 175.66 2eoi s PHE 22 N -5.85 0.52 0.28 4.77 0.08 -1.26 -4.91 117.98 111.60 2eoi s PHE 22 Ca -0.13 -0.10 -0.09 0.00 0.12 0.00 0.00 56.93 56.73 2eoi s PHE 22 Cb 0.10 -0.48 0.44 0.00 -0.57 0.00 0.00 43.02 42.52 2eoi s PHE 22 CO 0.73 -0.12 1.56 1.25 -0.10 0.00 0.00 175.22 178.54 2eoi h HIS 23 N 6.88 -0.57 -0.75 0.36 2.76 -1.87 0.17 115.15 122.14 2eoi h HIS 23 Ca -0.37 0.09 0.14 0.00 -2.20 0.00 0.00 60.37 58.03 2eoi h HIS 23 Cb 1.16 0.41 -0.14 0.00 1.55 0.00 0.00 27.41 30.38 2eoi h HIS 23 CO 0.48 -0.43 -0.21 0.43 -1.30 0.00 0.00 177.93 176.90 2eoi n SER 24 N -5.62 -0.32 0.23 3.26 7.64 -1.26 0.46 113.62 118.01 2eoi n SER 24 Ca 0.16 1.29 -0.15 0.00 1.01 0.00 0.00 58.87 61.17 2eoi n SER 24 Cb 0.49 -0.37 -0.08 0.00 -1.01 0.00 0.00 64.21 63.24 2eoi n SER 24 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 2eoi h GLN 25 N 0.00 -0.52 -0.44 1.43 1.08 -1.08 -3.14 115.11 112.43 2eoi h GLN 25 Ca 0.34 0.04 0.04 0.00 -1.45 0.00 0.00 58.65 57.61 2eoi h GLN 25 Cb 0.52 0.12 -0.05 0.00 -0.05 0.00 0.00 27.48 28.02 2eoi h GLN 25 CO -0.76 -0.29 -0.26 -0.11 -0.95 0.00 0.00 178.83 176.46 2eoi n LEU 26 N -5.28 -0.47 -0.32 1.46 7.94 0.17 0.42 117.00 120.93 2eoi n LEU 26 Ca -0.11 1.25 0.13 0.00 -1.11 0.00 0.00 56.01 56.17 2eoi n LEU 26 Cb 0.26 -0.33 0.28 0.00 0.53 0.00 0.00 43.42 44.16 2eoi n LEU 26 CO 0.35 -0.87 0.85 0.58 -1.11 0.00 0.00 177.39 177.18 2eoi h VAL 27 N 0.00 0.14 -0.63 1.96 2.07 -1.46 0.89 116.25 119.22 2eoi h VAL 27 Ca 0.07 -0.02 -0.04 0.00 0.82 0.00 0.00 66.70 67.53 2eoi h VAL 27 Cb 0.18 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 29.99 2eoi h VAL 27 CO -0.42 0.01 0.23 0.40 0.02 0.00 0.00 177.57 177.82 2eoi h ILE 28 N 0.07 1.23 0.41 4.57 2.04 0.02 -3.11 117.51 122.74 2eoi h ILE 28 Ca 0.57 -0.73 -0.02 0.00 1.00 0.00 0.00 64.86 65.67 2eoi h ILE 28 Cb 1.16 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 37.73 2eoi h ILE 28 CO -0.81 0.29 -0.20 -0.74 0.00 0.00 0.00 178.15 176.69 2eoi h HIS 29 N 0.91 -0.51 -1.39 1.37 2.76 0.29 -2.91 115.15 115.67 2eoi h HIS 29 Ca 0.21 -0.01 0.42 0.00 -2.20 0.00 0.00 60.37 58.79 2eoi h HIS 29 Cb 0.20 0.17 -0.08 0.00 1.55 0.00 0.00 27.41 29.26 2eoi h HIS 29 CO 0.01 -0.20 0.97 1.04 -1.30 0.00 0.00 177.93 178.45 2eoi n GLN 30 N -5.23 -0.01 0.10 5.26 6.02 -0.27 0.10 117.38 123.35 2eoi n GLN 30 Ca -0.10 0.88 -0.12 0.00 -0.01 0.00 0.00 57.00 57.64 2eoi n GLN 30 Cb 0.28 -1.93 -0.05 0.00 1.02 0.00 0.00 30.24 29.56 2eoi n GLN 30 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2eoi h ARG 31 N 0.00 -0.40 -1.19 -1.09 3.08 -1.57 -1.86 114.38 111.35 2eoi h ARG 31 Ca 0.71 0.03 0.38 0.00 0.07 0.00 0.00 59.98 61.17 2eoi h ARG 31 Cb 2.70 0.09 -0.08 0.00 0.08 0.00 0.00 29.97 32.76 2eoi h ARG 31 CO -0.12 -0.27 0.81 0.44 -1.07 0.00 0.00 179.97 179.76 2eoi n ILE 32 N -5.35 -0.11 0.05 2.04 -5.35 0.29 0.36 119.36 111.28 2eoi n ILE 32 Ca -0.06 1.22 -0.02 0.00 -0.27 0.00 0.00 62.75 63.61 2eoi n ILE 32 Cb 0.27 -2.01 -0.01 0.00 -1.74 0.00 0.00 39.64 36.15 2eoi n ILE 32 CO 0.00 0.00 0.00 0.45 -1.76 0.00 0.00 176.55 175.24 2eoi h HIS 33 N 0.00 -0.13 -0.02 4.28 3.86 -1.47 -3.36 115.15 118.32 2eoi h HIS 33 Ca 0.66 -0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.88 2eoi h HIS 33 Cb 2.35 0.04 -0.01 0.00 1.06 0.00 0.00 27.41 30.86 2eoi h HIS 33 CO -0.00 -0.08 -0.03 0.00 0.86 0.00 0.00 177.93 178.68 2eoi h THR 34 N -0.25 0.91 -1.95 2.45 1.03 -0.70 -3.48 112.91 110.92 2eoi h THR 34 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.39 2eoi h THR 34 Cb 0.11 0.91 0.00 0.00 -1.07 0.00 0.00 68.15 68.10 2eoi h THR 34 CO 0.02 0.00 0.00 0.61 -0.01 0.00 0.00 175.52 176.14 2eoi n GLY 35 N -1.14 0.73 0.06 2.99 0.00 0.16 -5.01 105.19 102.97 2eoi n GLY 35 Ca -0.06 -0.39 -0.12 0.00 0.00 0.00 0.00 46.02 45.44 2eoi n GLY 35 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2eoi h GLU 36 N 0.00 0.03 -7.27 1.61 4.39 -1.93 -3.45 114.58 107.96 2eoi h GLU 36 Ca 0.00 -0.01 -0.52 0.00 0.34 0.00 0.00 59.36 59.17 2eoi h GLU 36 Cb 0.75 -0.00 0.16 0.00 -0.10 0.00 0.00 28.75 29.55 2eoi h GLU 36 CO 0.00 0.29 0.30 0.54 -1.16 0.00 0.00 179.01 178.98 2eoi s ASN 37 N -5.49 3.95 -1.12 1.42 2.20 -1.26 -4.86 114.94 109.78 2eoi s ASN 37 Ca -0.15 2.05 -0.23 0.00 -0.94 0.00 0.00 52.86 53.59 2eoi s ASN 37 Cb 0.04 -2.55 -0.08 0.00 -2.00 0.00 0.00 41.25 36.66 2eoi s ASN 37 CO 0.67 -2.41 1.94 -2.16 -2.94 0.00 0.00 177.10 172.20 2eoi s PRO 38 N -4.59 2.51 0.25 3.55 0.04 -1.26 -4.94 135.00 130.56 2eoi s PRO 38 Ca 0.66 -0.96 -0.31 0.00 0.04 0.00 0.00 61.00 60.43 2eoi s PRO 38 Cb -0.21 -5.20 -0.11 0.00 0.04 0.00 0.00 34.50 29.02 2eoi s PRO 38 CO 0.54 -3.84 1.60 0.45 0.04 0.00 0.00 177.00 175.79 2eoi s SER 39 N 6.86 6.45 -0.02 6.66 0.15 -1.26 -5.00 113.70 127.53 2eoi s SER 39 Ca 0.69 2.84 0.05 0.00 0.70 0.00 0.00 55.95 60.23 2eoi s SER 39 Cb -0.02 -2.62 -0.03 0.00 -1.71 0.00 0.00 66.02 61.64 2eoi s SER 39 CO 0.10 -0.88 -0.16 -0.83 1.20 0.00 0.00 173.24 172.66 2eoi s GLY 40 N 0.71 1.52 0.31 9.45 0.00 -1.26 -5.11 107.32 112.94 2eoi s GLY 40 Ca 0.66 -1.06 -0.29 0.00 0.00 0.00 0.00 44.72 44.03 2eoi s GLY 40 CO 0.41 -0.88 1.23 2.56 0.00 0.00 0.00 173.10 176.42 2eoi s PRO 41 N -0.96 4.46 0.27 2.90 0.04 -1.26 -5.01 135.00 135.44 2eoi s PRO 41 Ca 0.13 2.06 -0.26 0.00 0.04 0.00 0.00 61.00 62.96 2eoi s PRO 41 Cb -0.11 -3.12 -0.09 0.00 0.04 0.00 0.00 34.50 31.22 2eoi s PRO 41 CO 0.02 -0.04 0.89 0.45 0.04 0.00 0.00 177.00 178.36 2eoi s SER 42 N -0.60 7.39 0.71 6.66 0.15 -1.26 -5.03 113.70 121.71 2eoi s SER 42 Ca 0.47 1.79 -0.14 0.00 0.70 0.00 0.00 55.95 58.77 2eoi s SER 42 Cb -0.37 -2.56 0.03 0.00 -1.71 0.00 0.00 66.02 61.41 2eoi s SER 42 CO 0.48 0.03 1.15 -0.44 1.20 0.00 0.00 173.24 175.66 2eoi s SER 43 N -1.46 4.59 0.00 5.45 0.01 -1.26 -5.37 113.70 115.66 2eoi s SER 43 Ca 0.45 2.14 0.00 0.00 1.31 0.00 0.00 55.95 59.85 2eoi s SER 43 Cb -0.21 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.46 2eoi s SER 43 CO 0.26 -1.99 0.20 0.61 0.41 0.00 0.00 173.24 172.73