#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1e0g s SER 2 N 0.00 1.34 0.08 -2.24 1.04 -1.26 -4.94 113.70 107.71 1e0g s SER 2 Ca 0.00 -0.21 -0.14 0.00 0.48 0.00 0.00 55.95 56.08 1e0g s SER 2 Cb 0.00 -0.15 -0.06 0.00 0.10 0.00 0.00 66.02 65.90 1e0g s SER 2 CO 0.00 0.14 0.48 -0.63 0.98 0.00 0.00 173.24 174.21 1e0g s ILE 3 N -0.25 4.94 -0.15 -1.02 1.01 -1.25 -4.93 121.20 119.54 1e0g s ILE 3 Ca 0.04 0.82 -0.01 0.00 0.00 0.00 0.00 60.65 61.50 1e0g s ILE 3 Cb -0.05 -3.74 0.04 0.00 0.01 0.00 0.00 42.46 38.73 1e0g s ILE 3 CO -0.00 0.40 -0.03 -0.89 0.00 0.00 0.00 174.94 174.42 1e0g s THR 4 N -1.28 0.87 -0.03 2.92 2.01 -1.26 0.12 115.64 118.99 1e0g s THR 4 Ca 0.31 -0.43 0.07 0.00 0.31 0.00 0.00 61.69 61.95 1e0g s THR 4 Cb -0.16 -1.07 -0.02 0.00 0.01 0.00 0.00 72.50 71.26 1e0g s THR 4 CO 0.17 0.13 -0.25 -0.72 -0.69 0.00 0.00 174.62 173.26 1e0g s TYR 5 N 1.74 2.32 -0.14 4.92 -0.85 -0.45 -4.79 117.35 120.11 1e0g s TYR 5 Ca 0.02 -0.53 -0.22 0.00 -0.52 0.00 0.00 57.07 55.82 1e0g s TYR 5 Cb -0.15 -1.51 -0.03 0.00 0.38 0.00 0.00 41.96 40.66 1e0g s TYR 5 CO -0.07 -0.10 0.66 -0.98 -1.52 0.00 0.00 175.55 173.53 1e0g s ARG 6 N -0.45 4.32 -0.47 -3.49 1.70 -1.26 0.57 118.95 119.87 1e0g s ARG 6 Ca 0.05 0.73 -0.27 0.00 -0.47 0.00 0.00 55.73 55.77 1e0g s ARG 6 Cb -0.11 -3.51 0.03 0.00 -0.57 0.00 0.00 34.95 30.78 1e0g s ARG 6 CO 0.01 -0.09 1.03 0.08 -1.08 0.00 0.00 175.30 175.24 1e0g s VAL 7 N 1.38 4.34 0.26 4.99 1.01 0.47 -4.87 120.40 127.98 1e0g s VAL 7 Ca 0.32 0.96 0.05 0.00 0.00 0.00 0.00 61.98 63.32 1e0g s VAL 7 Cb -0.16 -4.52 -0.03 0.00 0.00 0.00 0.00 36.38 31.67 1e0g s VAL 7 CO 0.13 -0.92 0.38 -0.13 0.00 0.00 0.00 175.10 174.56 1e0g s ARG 8 N 4.09 3.40 0.30 2.72 1.81 -1.26 0.68 118.95 130.69 1e0g s ARG 8 Ca 0.42 -0.78 -0.29 0.00 -1.72 0.00 0.00 55.73 53.36 1e0g s ARG 8 Cb -0.09 -2.87 -0.13 0.00 -0.45 0.00 0.00 34.95 31.41 1e0g s ARG 8 CO 0.29 0.37 1.28 0.36 -0.68 0.00 0.00 175.30 176.92 1e0g n LYS 9 N -1.46 1.97 0.00 3.54 2.85 -1.26 -0.19 118.16 123.61 1e0g n LYS 9 Ca -0.08 0.69 0.00 0.00 -1.05 0.00 0.00 58.31 57.88 1e0g n LYS 9 Cb 0.57 -2.27 0.00 0.00 -0.65 0.00 0.00 35.03 32.68 1e0g n LYS 9 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1e0g n GLY 10 N 1.31 2.08 3.78 2.58 0.00 -1.26 -5.02 105.19 108.66 1e0g n GLY 10 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 1e0g n GLY 10 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1e0g s ASP 11 N -2.60 7.35 -0.05 1.61 1.11 0.74 -5.06 116.67 119.77 1e0g s ASP 11 Ca 0.00 1.64 0.04 0.00 0.18 0.00 0.00 52.55 54.41 1e0g s ASP 11 Cb 0.00 -2.50 -0.02 0.00 1.07 0.00 0.00 42.92 41.47 1e0g s ASP 11 CO 0.00 0.16 -0.16 -0.55 1.18 0.00 0.00 175.17 175.81 1e0g s SER 12 N -1.25 3.88 0.13 0.27 0.15 -1.26 -4.83 113.70 110.78 1e0g s SER 12 Ca 0.38 -0.25 -0.30 0.00 0.70 0.00 0.00 55.95 56.48 1e0g s SER 12 Cb -0.22 -0.87 -0.07 0.00 -1.71 0.00 0.00 66.02 63.15 1e0g s SER 12 CO 0.26 0.32 1.58 -0.07 1.20 0.00 0.00 173.24 176.53 1e0g h LEU 13 N 5.53 -1.32 -0.71 3.45 -0.00 -1.99 0.51 115.31 120.77 1e0g h LEU 13 Ca -0.43 0.17 -0.00 0.00 -0.00 0.00 0.00 57.88 57.61 1e0g h LEU 13 Cb 1.16 0.53 -0.03 0.00 -0.00 0.00 0.00 40.66 42.31 1e0g h LEU 13 CO 0.50 -0.44 0.44 0.28 -0.00 0.00 0.00 178.44 179.22 1e0g h SER 14 N -0.52 0.84 -0.49 -0.43 0.02 -1.96 -1.72 113.55 109.29 1e0g h SER 14 Ca 0.06 -0.05 0.03 0.00 -0.84 0.00 0.00 61.79 61.00 1e0g h SER 14 Cb 0.64 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.93 1e0g h SER 14 CO -0.38 0.65 0.27 -1.28 -1.14 0.00 0.00 176.83 174.95 1e0g h SER 15 N 0.97 0.41 -0.45 3.07 0.87 -1.61 -1.40 113.55 115.40 1e0g h SER 15 Ca 0.26 0.02 0.02 0.00 -1.23 0.00 0.00 61.79 60.85 1e0g h SER 15 Cb -0.05 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 61.82 1e0g h SER 15 CO -0.05 0.29 0.26 0.40 -0.53 0.00 0.00 176.83 177.20 1e0g h ILE 16 N 0.53 1.05 -0.60 2.23 5.03 0.37 -1.48 117.51 124.63 1e0g h ILE 16 Ca 0.21 -0.18 0.11 0.00 -0.12 0.00 0.00 64.86 64.88 1e0g h ILE 16 Cb 0.08 0.47 -0.09 0.00 -3.03 0.00 0.00 36.82 34.25 1e0g h ILE 16 CO -0.13 0.10 0.12 0.00 -0.68 0.00 0.00 178.15 177.56 1e0g h ALA 17 N 1.20 0.70 -1.00 1.87 0.00 -0.40 0.12 119.26 121.75 1e0g h ALA 17 Ca 0.18 0.13 0.23 0.00 0.00 0.00 0.00 54.91 55.45 1e0g h ALA 17 Cb 0.01 0.19 -0.10 0.00 0.00 0.00 0.00 17.79 17.89 1e0g h ALA 17 CO -0.08 -0.31 0.63 -0.22 0.00 0.00 0.00 179.25 179.26 1e0g h LYS 18 N 0.25 0.54 -0.42 0.00 3.11 -0.26 0.61 116.57 120.40 1e0g h LYS 18 Ca 0.31 -0.03 0.10 0.00 -2.81 0.00 0.00 60.65 58.22 1e0g h LYS 18 Cb 0.47 -0.12 -0.02 0.00 -1.00 0.00 0.00 32.23 31.56 1e0g h LYS 18 CO -0.41 0.36 0.29 -0.09 -2.81 0.00 0.00 179.45 176.79 1e0g h ARG 19 N 0.55 0.10 -0.11 1.90 2.43 -0.55 -1.49 114.38 117.22 1e0g h ARG 19 Ca 0.58 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.74 1e0g h ARG 19 Cb 1.20 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 1e0g h ARG 19 CO -0.33 0.07 0.00 0.72 -1.51 0.00 0.00 179.97 178.92 1e0g n HIS 20 N -4.44 0.20 -3.79 2.20 -0.00 0.17 -4.98 115.22 104.58 1e0g n HIS 20 Ca 0.07 -0.64 -0.26 0.00 -0.00 0.00 0.00 57.72 56.89 1e0g n HIS 20 Cb 0.42 -0.09 0.02 0.00 -0.00 0.00 0.00 29.99 30.33 1e0g n HIS 20 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1e0g n GLY 21 N -0.45 -0.50 3.69 -1.41 0.00 0.14 -4.96 105.19 101.69 1e0g n GLY 21 Ca 0.08 0.25 -0.30 0.00 0.00 0.00 0.00 46.02 46.05 1e0g n GLY 21 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1e0g s VAL 22 N -3.72 1.70 -0.60 1.61 -7.23 -0.71 -4.83 120.40 106.62 1e0g s VAL 22 Ca 0.16 -1.97 -0.10 0.00 -1.81 0.00 0.00 61.98 58.26 1e0g s VAL 22 Cb -0.05 -2.67 0.15 0.00 0.56 0.00 0.00 36.38 34.37 1e0g s VAL 22 CO 0.86 0.00 0.48 0.20 -0.31 0.00 0.00 175.10 176.33 1e0g s ASN 23 N -3.80 5.91 0.59 4.85 0.01 -1.26 -4.58 114.94 116.66 1e0g s ASN 23 Ca 0.24 -2.30 0.29 0.00 -0.71 0.00 0.00 52.86 50.38 1e0g s ASN 23 Cb 0.06 -2.04 1.48 0.00 0.41 0.00 0.00 41.25 41.16 1e0g s ASN 23 CO 0.13 -0.61 1.90 0.40 -1.51 0.00 0.00 177.10 177.41 1e0g h ILE 24 N 5.59 0.35 -0.87 0.60 1.08 -1.91 0.96 117.51 123.30 1e0g h ILE 24 Ca -0.10 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.35 1e0g h ILE 24 Cb 1.04 0.62 -0.04 0.00 -3.07 0.00 0.00 36.82 35.37 1e0g h ILE 24 CO 0.82 0.00 0.46 0.07 -0.69 0.00 0.00 178.15 178.81 1e0g h LYS 25 N 0.00 1.23 -0.85 2.37 2.10 -1.97 0.25 116.57 119.70 1e0g h LYS 25 Ca 0.20 -0.15 -0.03 0.00 -2.00 0.00 0.00 60.65 58.66 1e0g h LYS 25 Cb 1.14 -0.24 -0.04 0.00 -0.90 0.00 0.00 32.23 32.19 1e0g h LYS 25 CO -0.00 0.91 0.40 -0.44 -2.00 0.00 0.00 179.45 178.32 1e0g h ASP 26 N 1.23 1.12 -0.64 7.07 3.32 0.52 0.51 116.42 129.56 1e0g h ASP 26 Ca 0.31 -0.14 0.06 0.00 0.02 0.00 0.00 57.03 57.27 1e0g h ASP 26 Cb 0.05 -0.29 -0.05 0.00 0.22 0.00 0.00 39.33 39.26 1e0g h ASP 26 CO -0.05 0.95 0.34 0.58 -1.72 0.00 0.00 179.24 179.35 1e0g h VAL 27 N 1.21 0.95 0.00 -1.35 2.07 -0.33 0.67 116.25 119.47 1e0g h VAL 27 Ca 0.29 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.59 1e0g h VAL 27 Cb 0.13 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.16 1e0g h VAL 27 CO -0.03 0.12 0.00 0.23 0.02 0.00 0.00 177.57 177.90 1e0g n MET 28 N -4.82 0.19 -0.01 1.57 2.81 0.66 -1.54 117.12 115.99 1e0g n MET 28 Ca 0.08 0.34 -0.17 0.00 -1.81 0.00 0.00 57.70 56.14 1e0g n MET 28 Cb 0.17 -1.82 -0.09 0.00 -0.71 0.00 0.00 33.22 30.78 1e0g n MET 28 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 1e0g h ARG 29 N 0.00 0.56 0.19 0.03 2.43 0.53 -3.32 114.38 114.79 1e0g h ARG 29 Ca 0.00 -0.51 -0.33 0.00 -0.81 0.00 0.00 59.98 58.33 1e0g h ARG 29 Cb 0.46 0.12 0.01 0.00 -0.42 0.00 0.00 29.97 30.15 1e0g h ARG 29 CO 0.00 1.13 -1.60 -1.49 -1.51 0.00 0.00 179.97 176.50 1e0g h TRP 30 N 0.16 0.73 -3.16 2.20 6.55 -1.08 -3.45 115.95 117.90 1e0g h TRP 30 Ca -0.06 -0.53 -0.59 0.00 0.95 0.00 0.00 58.89 58.65 1e0g h TRP 30 Cb 1.30 -0.03 -0.06 0.00 -0.86 0.00 0.00 29.16 29.51 1e0g h TRP 30 CO 0.12 1.56 -0.16 -0.80 -1.05 0.00 0.00 178.44 178.11 1e0g s ASN 31 N -7.31 6.79 0.00 -3.49 0.01 -0.59 -5.02 114.94 105.34 1e0g s ASN 31 Ca -0.12 0.94 0.00 0.00 -0.71 0.00 0.00 52.86 52.97 1e0g s ASN 31 Cb 0.05 -2.28 0.00 0.00 0.41 0.00 0.00 41.25 39.44 1e0g s ASN 31 CO 0.88 0.20 0.00 -0.24 -1.51 0.00 0.00 177.10 176.43 1e0g n SER 32 N 2.51 0.00 -4.58 -1.22 2.88 -1.26 -4.52 113.62 107.43 1e0g n SER 32 Ca -0.11 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.01 1e0g n SER 32 Cb 0.52 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.95 1e0g n SER 32 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1e0g s ASP 33 N -1.00 6.48 -0.21 -3.46 1.01 -1.26 -4.88 116.67 113.34 1e0g s ASP 33 Ca 0.00 0.13 -0.01 0.00 0.71 0.00 0.00 52.55 53.38 1e0g s ASP 33 Cb 0.00 -2.53 0.12 0.00 1.01 0.00 0.00 42.92 41.51 1e0g s ASP 33 CO 0.00 -1.39 2.13 0.35 0.21 0.00 0.00 175.17 176.48 1e0g n THR 34 N 6.64 2.58 0.48 -1.27 -2.24 -1.26 -4.38 114.28 114.84 1e0g n THR 34 Ca 0.08 -1.38 0.06 0.00 -2.27 0.00 0.00 64.05 60.55 1e0g n THR 34 Cb 0.49 -1.43 0.28 0.00 -2.10 0.00 0.00 70.33 67.56 1e0g n THR 34 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1e0g n ALA 35 N 0.83 1.62 1.79 6.98 0.00 -1.26 -1.61 120.51 128.87 1e0g n ALA 35 Ca 0.22 -0.05 0.14 0.00 0.00 0.00 0.00 53.44 53.76 1e0g n ALA 35 Cb 0.57 -1.20 0.74 0.00 0.00 0.00 0.00 19.45 19.56 1e0g n ALA 35 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1e0g n ASN 36 N -1.41 0.59 -3.84 0.00 4.13 -1.26 -4.43 115.26 109.04 1e0g n ASN 36 Ca 0.04 -1.25 -0.42 0.00 1.68 0.00 0.00 54.58 54.63 1e0g n ASN 36 Cb 0.12 -0.01 0.00 0.00 -1.54 0.00 0.00 39.78 38.36 1e0g n ASN 36 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1e0g n LEU 37 N -0.52 6.66 -4.79 3.41 4.32 -0.63 -4.55 117.00 120.90 1e0g n LEU 37 Ca 0.21 -4.27 -0.22 0.00 -0.02 0.00 0.00 56.01 51.71 1e0g n LEU 37 Cb 0.20 -1.62 -0.05 0.00 -1.62 0.00 0.00 43.42 40.33 1e0g n LEU 37 CO 0.16 1.12 -0.15 -1.10 -1.22 0.00 0.00 177.39 176.20 1e0g s GLN 38 N 2.46 2.56 -1.02 3.23 -0.21 -1.26 -4.99 119.66 120.42 1e0g s GLN 38 Ca 0.45 -1.40 -0.24 0.00 0.02 0.00 0.00 55.36 54.20 1e0g s GLN 38 Cb 0.12 -2.33 -0.08 0.00 1.00 0.00 0.00 33.01 31.72 1e0g s GLN 38 CO -0.05 0.14 1.97 -1.25 -2.12 0.00 0.00 175.29 173.98 1e0g s PRO 39 N -3.90 2.43 0.00 2.91 0.04 -1.22 -1.53 135.00 133.74 1e0g s PRO 39 Ca 0.38 -0.62 0.00 0.00 0.04 0.00 0.00 61.00 60.80 1e0g s PRO 39 Cb -0.04 -5.12 0.00 0.00 0.04 0.00 0.00 34.50 29.37 1e0g s PRO 39 CO 0.24 -3.76 0.00 0.41 0.04 0.00 0.00 177.00 173.93 1e0g n GLY 40 N 6.39 0.90 3.64 0.56 0.00 0.21 -4.77 105.19 112.12 1e0g n GLY 40 Ca 0.42 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.17 1e0g n GLY 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1e0g s ASP 41 N -1.24 4.63 0.51 1.61 1.01 -0.58 -4.86 116.67 117.74 1e0g s ASP 41 Ca 0.00 -0.43 -0.11 0.00 0.71 0.00 0.00 52.55 52.72 1e0g s ASP 41 Cb 0.00 -0.94 -0.06 0.00 1.01 0.00 0.00 42.92 42.93 1e0g s ASP 41 CO 0.00 0.11 0.90 -0.54 0.21 0.00 0.00 175.17 175.84 1e0g s LYS 42 N -2.81 3.73 -0.01 8.23 3.01 -1.26 -0.39 119.74 130.23 1e0g s LYS 42 Ca 0.26 0.62 0.00 0.00 -1.01 0.00 0.00 55.97 55.84 1e0g s LYS 42 Cb -0.09 -2.24 0.01 0.00 -1.01 0.00 0.00 37.83 34.50 1e0g s LYS 42 CO 0.17 -0.27 -0.00 -0.51 0.51 0.00 0.00 175.35 175.24 1e0g s LEU 43 N -4.44 1.64 -0.05 3.17 1.43 0.19 -4.82 118.68 115.80 1e0g s LEU 43 Ca 0.53 -0.02 -0.30 0.00 -1.03 0.00 0.00 54.13 53.32 1e0g s LEU 43 Cb -0.10 -0.11 -0.04 0.00 0.03 0.00 0.00 46.19 45.96 1e0g s LEU 43 CO 0.40 -0.04 1.34 -0.89 0.23 0.00 0.00 176.35 177.40 1e0g s THR 44 N 0.41 3.96 -0.60 5.49 2.01 -1.26 -1.34 115.64 124.32 1e0g s THR 44 Ca -0.04 1.28 0.03 0.00 0.31 0.00 0.00 61.69 63.28 1e0g s THR 44 Cb -0.06 -3.82 0.38 0.00 0.01 0.00 0.00 72.50 69.00 1e0g s THR 44 CO -0.01 -0.04 1.27 0.18 -0.69 0.00 0.00 174.62 175.34 1e0g n LEU 45 N 5.75 5.33 0.19 4.42 4.77 0.12 -4.76 117.00 132.82 1e0g n LEU 45 Ca 0.13 -5.32 0.18 0.00 -0.03 0.00 0.00 56.01 50.97 1e0g n LEU 45 Cb 0.44 -0.65 0.77 0.00 -2.33 0.00 0.00 43.42 41.65 1e0g n LEU 45 CO 0.57 2.19 1.16 -0.26 -1.33 0.00 0.00 177.39 179.72 1e0g h PHE 46 N 2.93 0.00 -0.93 -1.77 0.04 -1.92 -3.33 116.94 111.96 1e0g h PHE 46 Ca 0.31 0.00 -0.65 0.00 2.80 0.00 0.00 57.97 60.43 1e0g h PHE 46 Cb 0.60 0.00 0.09 0.00 2.20 0.00 0.00 35.95 38.84 1e0g h PHE 46 CO 0.93 0.00 -0.35 1.33 -0.60 0.00 0.00 178.31 179.62 1e0g n VAL 47 N -3.40 1.38 1.57 -0.55 0.24 -1.26 -4.89 118.33 111.42 1e0g n VAL 47 Ca 0.04 -0.35 0.14 0.00 -2.04 0.00 0.00 64.34 62.13 1e0g n VAL 47 Cb 0.52 0.00 0.59 0.00 -1.47 0.00 0.00 33.84 33.48 1e0g n VAL 47 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98