#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 4.63 0.01 -1.12 1.04 -1.26 -4.87 113.70 112.12 1e0g s SER 2 Ca 0.00 -0.16 -0.17 0.00 0.48 0.00 0.00 55.95 56.10 1e0g s SER 2 Cb 0.00 -1.71 -0.06 0.00 0.10 0.00 0.00 66.02 64.35 1e0g s SER 2 CO 0.00 0.18 0.47 -0.63 0.98 0.00 0.00 173.24 174.25 1e0g s ILE 3 N 0.28 4.96 -0.19 -1.02 1.01 -1.25 -4.93 121.20 120.05 1e0g s ILE 3 Ca -0.05 0.99 0.00 0.00 0.00 0.00 0.00 60.65 61.60 1e0g s ILE 3 Cb -0.14 -3.79 0.04 0.00 0.01 0.00 0.00 42.46 38.58 1e0g s ILE 3 CO 0.03 0.53 -0.09 -0.89 0.00 0.00 0.00 174.94 174.53 1e0g s THR 4 N -0.81 1.48 -0.06 2.92 2.01 -1.26 0.23 115.64 120.15 1e0g s THR 4 Ca 0.26 -0.91 0.05 0.00 0.31 0.00 0.00 61.69 61.40 1e0g s THR 4 Cb -0.17 -1.60 -0.01 0.00 0.01 0.00 0.00 72.50 70.72 1e0g s THR 4 CO 0.15 0.14 -0.23 -0.72 -0.69 0.00 0.00 174.62 173.27 1e0g s TYR 5 N 1.46 2.49 -0.22 4.92 -0.85 -0.42 -4.78 117.35 119.96 1e0g s TYR 5 Ca -0.01 -0.64 -0.21 0.00 -0.52 0.00 0.00 57.07 55.68 1e0g s TYR 5 Cb -0.16 -1.62 -0.02 0.00 0.38 0.00 0.00 41.96 40.54 1e0g s TYR 5 CO -0.08 -0.17 0.66 1.03 -1.52 0.00 0.00 175.55 175.48 1e0g s ARG 6 N -0.21 4.18 -0.42 -3.49 1.81 -1.26 0.68 118.95 120.25 1e0g s ARG 6 Ca -0.02 0.65 -0.29 0.00 -1.72 0.00 0.00 55.73 54.36 1e0g s ARG 6 Cb -0.13 -3.61 0.02 0.00 -0.45 0.00 0.00 34.95 30.77 1e0g s ARG 6 CO 0.03 -0.33 1.30 0.08 -0.68 0.00 0.00 175.30 175.69 1e0g s VAL 7 N 2.23 4.05 0.27 3.52 1.01 0.94 -4.84 120.40 127.58 1e0g s VAL 7 Ca 0.29 1.09 0.06 0.00 0.00 0.00 0.00 61.98 63.42 1e0g s VAL 7 Cb -0.16 -4.34 -0.03 0.00 0.00 0.00 0.00 36.38 31.85 1e0g s VAL 7 CO 0.09 -0.80 0.32 -0.13 0.00 0.00 0.00 175.10 174.58 1e0g s ARG 8 N 4.65 3.13 0.29 2.72 0.52 -1.26 0.61 118.95 129.61 1e0g s ARG 8 Ca 0.56 -0.97 -0.29 0.00 -0.52 0.00 0.00 55.73 54.51 1e0g s ARG 8 Cb -0.12 -2.73 -0.13 0.00 0.52 0.00 0.00 34.95 32.50 1e0g s ARG 8 CO 0.31 0.31 1.28 1.63 0.02 0.00 0.00 175.30 178.84 1e0g n LYS 9 N -1.38 1.93 0.00 3.54 5.02 -1.26 -0.01 118.16 125.99 1e0g n LYS 9 Ca -0.06 0.68 0.00 0.00 -2.02 0.00 0.00 58.31 56.91 1e0g n LYS 9 Cb 0.58 -2.25 0.00 0.00 -0.02 0.00 0.00 35.03 33.34 1e0g n LYS 9 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1e0g n GLY 10 N 1.39 2.45 3.71 0.72 0.00 -1.26 -5.01 105.19 107.19 1e0g n GLY 10 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.06 6.77 0.12 1.61 1.11 0.98 -5.06 116.67 120.14 1e0g s ASP 11 Ca 0.00 0.92 0.05 0.00 0.18 0.00 0.00 52.55 53.70 1e0g s ASP 11 Cb 0.00 -2.33 -0.04 0.00 1.07 0.00 0.00 42.92 41.62 1e0g s ASP 11 CO 0.00 -0.08 0.05 -0.44 1.18 0.00 0.00 175.17 175.88 1e0g s SER 12 N 0.79 5.24 0.10 0.27 0.01 -1.26 -4.69 113.70 114.15 1e0g s SER 12 Ca 0.30 -0.15 -0.32 0.00 1.31 0.00 0.00 55.95 57.09 1e0g s SER 12 Cb -0.16 -1.31 -0.13 0.00 0.21 0.00 0.00 66.02 64.63 1e0g s SER 12 CO 0.13 0.14 1.60 -0.07 0.41 0.00 0.00 173.24 175.44 1e0g h LEU 13 N 3.05 -1.12 -0.38 2.44 -0.00 -1.98 0.51 115.31 117.83 1e0g h LEU 13 Ca -0.47 0.10 -0.01 0.00 -0.00 0.00 0.00 57.88 57.50 1e0g h LEU 13 Cb 1.18 0.39 -0.02 0.00 -0.00 0.00 0.00 40.66 42.21 1e0g h LEU 13 CO 0.62 -0.53 0.20 0.77 -0.00 0.00 0.00 178.44 179.50 1e0g h SER 14 N -0.77 0.47 -0.87 -0.43 4.64 -1.96 -1.55 113.55 113.08 1e0g h SER 14 Ca -0.02 -0.09 0.06 0.00 -0.47 0.00 0.00 61.79 61.27 1e0g h SER 14 Cb 0.71 -0.12 -0.06 0.00 -0.31 0.00 0.00 62.40 62.62 1e0g h SER 14 CO -0.11 0.43 0.54 -1.28 -0.87 0.00 0.00 176.83 175.53 1e0g h SER 15 N 0.48 0.84 -0.39 4.97 0.87 -1.87 -0.80 113.55 117.65 1e0g h SER 15 Ca 0.13 0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.71 1e0g h SER 15 Cb 0.07 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 61.85 1e0g h SER 15 CO -0.02 0.53 0.23 0.40 -0.53 0.00 0.00 176.83 177.44 1e0g h ILE 16 N 0.97 1.14 -0.64 2.23 5.03 0.44 -1.87 117.51 124.81 1e0g h ILE 16 Ca 0.38 -0.33 0.11 0.00 -0.12 0.00 0.00 64.86 64.90 1e0g h ILE 16 Cb 0.18 0.65 -0.08 0.00 -3.03 0.00 0.00 36.82 34.54 1e0g h ILE 16 CO -0.18 0.14 0.19 0.00 -0.68 0.00 0.00 178.15 177.62 1e0g h ALA 17 N 1.09 0.80 -0.98 1.87 0.00 -0.17 0.17 119.26 122.05 1e0g h ALA 17 Ca 0.14 0.12 0.21 0.00 0.00 0.00 0.00 54.91 55.38 1e0g h ALA 17 Cb 0.03 0.13 -0.09 0.00 0.00 0.00 0.00 17.79 17.86 1e0g h ALA 17 CO -0.02 -0.26 0.62 -0.22 0.00 0.00 0.00 179.25 179.36 1e0g h LYS 18 N 0.33 0.56 -0.41 0.00 3.64 -0.47 0.61 116.57 120.83 1e0g h LYS 18 Ca 0.34 -0.03 0.10 0.00 -1.27 0.00 0.00 60.65 59.79 1e0g h LYS 18 Cb 0.48 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 1e0g h LYS 18 CO -0.38 0.37 0.29 -0.09 -2.27 0.00 0.00 179.45 177.37 1e0g h ARG 19 N 0.57 0.09 -0.06 1.90 2.43 -0.44 -1.50 114.38 117.37 1e0g h ARG 19 Ca 0.54 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.71 1e0g h ARG 19 Cb 1.11 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 1e0g h ARG 19 CO -0.29 0.06 0.00 0.72 -1.51 0.00 0.00 179.97 178.95 1e0g n HIS 20 N -4.44 0.13 -3.81 2.20 -0.00 0.15 -4.98 115.22 104.47 1e0g n HIS 20 Ca 0.07 -0.69 -0.27 0.00 -0.00 0.00 0.00 57.72 56.83 1e0g n HIS 20 Cb 0.43 -0.10 0.01 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 -0.67 -0.51 3.67 -1.41 0.00 0.16 -4.95 105.19 101.48 1e0g n GLY 21 Ca 0.08 0.25 -0.30 0.00 0.00 0.00 0.00 46.02 46.06 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 -3.73 1.69 -0.60 1.61 -7.23 -0.63 -4.78 120.40 106.72 1e0g s VAL 22 Ca 0.17 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 58.24 1e0g s VAL 22 Cb -0.06 -2.70 0.16 0.00 0.56 0.00 0.00 36.38 34.34 1e0g s VAL 22 CO 0.87 0.00 0.49 0.20 -0.31 0.00 0.00 175.10 176.35 1e0g s ASN 23 N -3.77 5.94 0.61 4.85 0.01 -1.26 -4.57 114.94 116.75 1e0g s ASN 23 Ca 0.25 -2.29 0.29 0.00 -0.71 0.00 0.00 52.86 50.39 1e0g s ASN 23 Cb 0.07 -2.05 1.51 0.00 0.41 0.00 0.00 41.25 41.18 1e0g s ASN 23 CO 0.13 -0.62 1.90 0.40 -1.51 0.00 0.00 177.10 177.40 1e0g h ILE 24 N 5.58 0.26 -0.80 0.60 1.08 -1.91 0.89 117.51 123.22 1e0g h ILE 24 Ca -0.10 0.00 -0.05 0.00 -0.39 0.00 0.00 64.86 64.32 1e0g h ILE 24 Cb 1.04 0.63 -0.03 0.00 -3.07 0.00 0.00 36.82 35.39 1e0g h ILE 24 CO 0.83 0.00 0.31 0.07 -0.69 0.00 0.00 178.15 178.67 1e0g h LYS 25 N 0.00 1.19 -0.84 2.37 2.10 -1.98 0.22 116.57 119.64 1e0g h LYS 25 Ca 0.14 -0.22 -0.03 0.00 -2.00 0.00 0.00 60.65 58.54 1e0g h LYS 25 Cb 1.00 -0.19 -0.04 0.00 -0.90 0.00 0.00 32.23 32.10 1e0g h LYS 25 CO -0.00 0.97 0.39 -0.44 -2.00 0.00 0.00 179.45 178.37 1e0g h ASP 26 N 1.16 1.11 -0.62 7.07 3.32 0.39 0.51 116.42 129.36 1e0g h ASP 26 Ca 0.26 -0.14 0.05 0.00 0.02 0.00 0.00 57.03 57.23 1e0g h ASP 26 Cb 0.23 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 39.44 1e0g h ASP 26 CO -0.02 0.94 0.34 0.58 -1.72 0.00 0.00 179.24 179.35 1e0g h VAL 27 N 1.20 0.96 0.00 -1.35 2.07 -0.47 0.60 116.25 119.26 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 0.14 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 1e0g h VAL 27 CO -0.03 0.11 0.00 0.23 0.02 0.00 0.00 177.57 177.90 1e0g n MET 28 N -4.82 0.19 -0.00 1.57 2.81 0.61 -1.49 117.12 115.99 1e0g n MET 28 Ca 0.07 0.33 -0.18 0.00 -1.81 0.00 0.00 57.70 56.12 1e0g n MET 28 Cb 0.16 -1.81 -0.10 0.00 -0.71 0.00 0.00 33.22 30.76 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 0.54 0.12 0.03 2.43 0.51 -3.32 114.38 114.69 1e0g h ARG 29 Ca 0.00 -0.52 -0.30 0.00 -0.81 0.00 0.00 59.98 58.35 1e0g h ARG 29 Cb 0.47 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.15 1e0g h ARG 29 CO 0.00 1.15 -1.51 -1.49 -1.51 0.00 0.00 179.97 176.61 1e0g h TRP 30 N 0.12 0.46 -3.19 2.20 6.55 -1.08 -3.45 115.95 117.57 1e0g h TRP 30 Ca -0.07 -0.34 -0.59 0.00 0.95 0.00 0.00 58.89 58.84 1e0g h TRP 30 Cb 1.35 -0.02 -0.06 0.00 -0.86 0.00 0.00 29.16 29.57 1e0g h TRP 30 CO 0.12 1.38 -0.14 -0.80 -1.05 0.00 0.00 178.44 177.95 1e0g s ASN 31 N -7.00 6.81 -0.02 -3.49 0.01 -0.56 -4.95 114.94 105.76 1e0g s ASN 31 Ca -0.09 0.96 0.16 0.00 -0.71 0.00 0.00 52.86 53.19 1e0g s ASN 31 Cb 0.07 -2.29 -0.23 0.00 0.41 0.00 0.00 41.25 39.21 1e0g s ASN 31 CO 0.86 0.18 0.46 -1.20 -1.51 0.00 0.00 177.10 175.89 1e0g n SER 32 N 2.56 1.08 -3.74 -1.22 7.64 -1.26 -4.57 113.62 114.10 1e0g n SER 32 Ca -0.10 -0.29 -0.29 0.00 1.01 0.00 0.00 58.87 59.20 1e0g n SER 32 Cb 0.52 1.50 -0.13 0.00 -1.01 0.00 0.00 64.21 65.09 1e0g n SER 32 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1e0g s ASP 33 N -3.43 3.71 -0.05 6.43 1.01 -1.26 -4.93 116.67 118.14 1e0g s ASP 33 Ca -0.02 -2.91 0.04 0.00 0.71 0.00 0.00 52.55 50.37 1e0g s ASP 33 Cb 0.11 -1.15 0.21 0.00 1.01 0.00 0.00 42.92 43.10 1e0g s ASP 33 CO 0.67 -0.22 0.89 0.35 0.21 0.00 0.00 175.17 177.07 1e0g n THR 34 N 3.18 0.66 0.45 -1.27 -2.24 -1.26 -4.03 114.28 109.76 1e0g n THR 34 Ca 0.12 -0.36 0.05 0.00 -2.27 0.00 0.00 64.05 61.59 1e0g n THR 34 Cb 0.36 -0.33 0.25 0.00 -2.10 0.00 0.00 70.33 68.50 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 0.15 1.60 1.75 6.98 0.00 -1.26 -1.53 120.51 128.20 1e0g n ALA 35 Ca 0.07 -0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.58 1e0g n ALA 35 Cb 0.44 -1.16 0.55 0.00 0.00 0.00 0.00 19.45 19.28 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 -1.33 0.57 -4.12 0.00 3.02 -1.26 -4.55 115.26 107.60 1e0g n ASN 36 Ca 0.04 -1.45 -0.40 0.00 -0.03 0.00 0.00 54.58 52.74 1e0g n ASN 36 Cb 0.09 -0.03 -0.02 0.00 -0.61 0.00 0.00 39.78 39.21 1e0g n ASN 36 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1e0g n LEU 37 N -0.44 5.10 -4.79 3.41 4.32 -0.58 -4.58 117.00 119.44 1e0g n LEU 37 Ca 0.16 -3.67 -0.22 0.00 -0.02 0.00 0.00 56.01 52.26 1e0g n LEU 37 Cb 0.16 -1.60 -0.05 0.00 -1.62 0.00 0.00 43.42 40.32 1e0g n LEU 37 CO 0.13 0.04 -0.15 -1.10 -1.22 0.00 0.00 177.39 175.09 1e0g s GLN 38 N 4.41 2.54 -0.99 3.23 -0.21 -1.26 -4.99 119.66 122.39 1e0g s GLN 38 Ca 0.55 -1.42 -0.24 0.00 0.02 0.00 0.00 55.36 54.27 1e0g s GLN 38 Cb 0.09 -2.32 -0.07 0.00 1.00 0.00 0.00 33.01 31.71 1e0g s GLN 38 CO 0.04 0.12 1.97 -1.25 -2.12 0.00 0.00 175.29 174.06 1e0g s PRO 39 N -3.90 2.45 0.00 2.91 0.04 -1.22 -1.47 135.00 133.80 1e0g s PRO 39 Ca 0.39 -0.52 0.00 0.00 0.04 0.00 0.00 61.00 60.90 1e0g s PRO 39 Cb -0.04 -5.10 0.00 0.00 0.04 0.00 0.00 34.50 29.40 1e0g s PRO 39 CO 0.24 -3.68 0.00 0.41 0.04 0.00 0.00 177.00 174.01 1e0g n GLY 40 N 6.51 0.76 3.67 0.56 0.00 0.20 -4.81 105.19 112.09 1e0g n GLY 40 Ca 0.42 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.13 1e0g n GLY 40 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1e0g s ASP 41 N -1.20 5.00 0.56 1.61 2.15 -0.54 -4.85 116.67 119.41 1e0g s ASP 41 Ca 0.00 -0.12 -0.09 0.00 0.43 0.00 0.00 52.55 52.78 1e0g s ASP 41 Cb 0.00 -1.23 -0.04 0.00 -0.30 0.00 0.00 42.92 41.35 1e0g s ASP 41 CO 0.00 0.23 0.93 -1.59 -0.17 0.00 0.00 175.17 174.57 1e0g s LYS 42 N -1.93 3.56 -0.03 4.34 -2.85 -1.26 -0.04 119.74 121.53 1e0g s LYS 42 Ca 0.22 0.52 -0.02 0.00 -1.00 0.00 0.00 55.97 55.69 1e0g s LYS 42 Cb -0.12 -2.20 0.02 0.00 -2.06 0.00 0.00 37.83 33.47 1e0g s LYS 42 CO 0.14 -0.43 0.08 -0.51 0.10 0.00 0.00 175.35 174.73 1e0g s LEU 43 N -5.00 1.44 -0.02 2.77 1.43 0.21 -4.84 118.68 114.67 1e0g s LEU 43 Ca 0.52 0.16 -0.30 0.00 -1.03 0.00 0.00 54.13 53.48 1e0g s LEU 43 Cb -0.11 0.22 -0.05 0.00 0.03 0.00 0.00 46.19 46.28 1e0g s LEU 43 CO 0.50 -0.06 1.34 -0.89 0.23 0.00 0.00 176.35 177.47 1e0g s THR 44 N 0.41 3.89 -0.58 5.49 2.01 -1.26 -1.30 115.64 124.30 1e0g s THR 44 Ca -0.03 1.25 0.04 0.00 0.31 0.00 0.00 61.69 63.26 1e0g s THR 44 Cb -0.04 -3.80 0.37 0.00 0.01 0.00 0.00 72.50 69.03 1e0g s THR 44 CO -0.02 -0.01 1.16 0.18 -0.69 0.00 0.00 174.62 175.25 1e0g n LEU 45 N 5.35 5.02 0.22 4.42 4.77 0.13 -4.77 117.00 132.15 1e0g n LEU 45 Ca 0.12 -5.42 0.18 0.00 -0.03 0.00 0.00 56.01 50.86 1e0g n LEU 45 Cb 0.44 -0.60 0.79 0.00 -2.33 0.00 0.00 43.42 41.72 1e0g n LEU 45 CO 0.57 2.25 1.15 -0.26 -1.33 0.00 0.00 177.39 179.77 1e0g h PHE 46 N 2.92 0.00 -1.31 -1.77 0.04 -1.90 -3.34 116.94 111.58 1e0g h PHE 46 Ca 0.26 0.00 -0.63 0.00 2.80 0.00 0.00 57.97 60.40 1e0g h PHE 46 Cb 0.62 0.00 0.13 0.00 2.20 0.00 0.00 35.95 38.90 1e0g h PHE 46 CO 0.90 0.00 -0.72 1.33 -0.60 0.00 0.00 178.31 179.21 1e0g n VAL 47 N -3.33 1.29 1.04 -0.55 0.24 -1.26 -4.92 118.33 110.85 1e0g n VAL 47 Ca 0.02 -0.49 0.12 0.00 -2.04 0.00 0.00 64.34 61.96 1e0g n VAL 47 Cb 0.47 0.00 0.13 0.00 -1.47 0.00 0.00 33.84 32.98 1e0g n VAL 47 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98