#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 1.29 0.06 -2.24 1.04 -1.26 -5.00 113.70 107.58 1e0g s SER 2 Ca 0.00 -0.48 -0.15 0.00 0.48 0.00 0.00 55.95 55.80 1e0g s SER 2 Cb 0.00 -0.04 -0.06 0.00 0.10 0.00 0.00 66.02 66.01 1e0g s SER 2 CO 0.00 -0.06 0.48 -0.63 0.98 0.00 0.00 173.24 174.00 1e0g s ILE 3 N -1.03 4.92 -0.16 -1.02 1.01 -1.26 -4.94 121.20 118.73 1e0g s ILE 3 Ca -0.03 0.90 -0.01 0.00 0.00 0.00 0.00 60.65 61.50 1e0g s ILE 3 Cb -0.08 -3.76 0.05 0.00 0.01 0.00 0.00 42.46 38.67 1e0g s ILE 3 CO 0.01 0.48 -0.02 -0.89 0.00 0.00 0.00 174.94 174.52 1e0g s THR 4 N -1.20 0.85 -0.08 2.92 2.01 -1.26 -0.10 115.64 118.79 1e0g s THR 4 Ca 0.29 -0.53 0.04 0.00 0.31 0.00 0.00 61.69 61.80 1e0g s THR 4 Cb -0.17 -1.13 -0.01 0.00 0.01 0.00 0.00 72.50 71.20 1e0g s THR 4 CO 0.17 0.04 -0.19 -0.72 -0.69 0.00 0.00 174.62 173.22 1e0g s TYR 5 N 1.74 2.61 -0.22 4.92 -0.85 -0.55 -4.77 117.35 120.23 1e0g s TYR 5 Ca 0.01 -0.58 -0.25 0.00 -0.52 0.00 0.00 57.07 55.73 1e0g s TYR 5 Cb -0.16 -1.68 -0.01 0.00 0.38 0.00 0.00 41.96 40.50 1e0g s TYR 5 CO -0.07 -0.13 0.83 1.03 -1.52 0.00 0.00 175.55 175.69 1e0g s ARG 6 N -0.14 4.22 -0.44 -3.49 0.52 -1.26 0.50 118.95 118.86 1e0g s ARG 6 Ca -0.03 0.96 -0.29 0.00 -0.52 0.00 0.00 55.73 55.86 1e0g s ARG 6 Cb -0.14 -3.62 0.03 0.00 0.52 0.00 0.00 34.95 31.74 1e0g s ARG 6 CO 0.04 -0.45 1.16 0.08 0.02 0.00 0.00 175.30 176.15 1e0g s VAL 7 N 2.59 4.22 0.27 3.52 1.01 0.11 -4.86 120.40 127.26 1e0g s VAL 7 Ca 0.36 1.27 0.05 0.00 0.00 0.00 0.00 61.98 63.66 1e0g s VAL 7 Cb -0.16 -4.53 -0.03 0.00 0.00 0.00 0.00 36.38 31.67 1e0g s VAL 7 CO 0.09 -0.90 0.40 -0.13 0.00 0.00 0.00 175.10 174.56 1e0g s ARG 8 N 4.38 3.38 0.29 2.72 0.52 -1.26 0.63 118.95 129.60 1e0g s ARG 8 Ca 0.49 -0.77 -0.30 0.00 -0.52 0.00 0.00 55.73 54.64 1e0g s ARG 8 Cb -0.09 -2.85 -0.13 0.00 0.52 0.00 0.00 34.95 32.40 1e0g s ARG 8 CO 0.29 0.32 1.30 1.63 0.02 0.00 0.00 175.30 178.87 1e0g n LYS 9 N -1.50 1.97 0.00 3.54 5.02 -1.26 -0.28 118.16 125.64 1e0g n LYS 9 Ca -0.07 0.69 0.00 0.00 -2.02 0.00 0.00 58.31 56.92 1e0g n LYS 9 Cb 0.57 -2.28 0.00 0.00 -0.02 0.00 0.00 35.03 33.30 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 1.47 3.11 3.75 0.72 0.00 -1.26 -5.01 105.19 107.96 1e0g n GLY 10 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.52 6.98 -0.09 1.61 1.11 0.61 -5.02 116.67 121.35 1e0g s ASP 11 Ca 0.00 2.44 0.00 0.00 0.18 0.00 0.00 52.55 55.17 1e0g s ASP 11 Cb 0.00 -2.63 -0.03 0.00 1.07 0.00 0.00 42.92 41.34 1e0g s ASP 11 CO 0.00 -0.41 -0.09 -0.44 1.18 0.00 0.00 175.17 175.41 1e0g s SER 12 N -0.26 4.44 0.14 0.27 0.01 -1.26 -4.83 113.70 112.21 1e0g s SER 12 Ca 0.51 -0.12 -0.26 0.00 1.31 0.00 0.00 55.95 57.38 1e0g s SER 12 Cb -0.36 -1.28 -0.01 0.00 0.21 0.00 0.00 66.02 64.58 1e0g s SER 12 CO 0.43 0.29 1.60 -0.07 0.41 0.00 0.00 173.24 175.91 1e0g h LEU 13 N 5.75 -1.10 -0.43 2.44 -0.00 -1.99 0.56 115.31 120.54 1e0g h LEU 13 Ca -0.41 0.16 -0.00 0.00 -0.00 0.00 0.00 57.88 57.63 1e0g h LEU 13 Cb 1.18 0.47 -0.02 0.00 -0.00 0.00 0.00 40.66 42.29 1e0g h LEU 13 CO 0.54 -0.37 0.26 0.28 -0.00 0.00 0.00 178.44 179.16 1e0g h SER 14 N -0.39 0.51 -0.77 -0.43 0.02 -1.96 -1.52 113.55 109.01 1e0g h SER 14 Ca 0.11 -0.05 0.06 0.00 -0.84 0.00 0.00 61.79 61.07 1e0g h SER 14 Cb 0.56 -0.13 -0.06 0.00 0.14 0.00 0.00 62.40 62.92 1e0g h SER 14 CO -0.41 0.41 0.47 -1.28 -1.14 0.00 0.00 176.83 174.88 1e0g h SER 15 N 0.57 0.73 -0.34 3.07 0.87 -1.66 -1.13 113.55 115.66 1e0g h SER 15 Ca 0.15 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 1e0g h SER 15 Cb -0.01 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 61.80 1e0g h SER 15 CO -0.03 0.48 0.22 0.40 -0.53 0.00 0.00 176.83 177.37 1e0g h ILE 16 N 0.87 1.09 -0.65 2.23 2.04 0.53 -1.74 117.51 121.88 1e0g h ILE 16 Ca 0.34 -0.18 0.12 0.00 1.00 0.00 0.00 64.86 66.14 1e0g h ILE 16 Cb 0.15 0.60 -0.09 0.00 -0.74 0.00 0.00 36.82 36.74 1e0g h ILE 16 CO -0.16 0.09 0.18 0.00 0.00 0.00 0.00 178.15 178.25 1e0g h ALA 17 N 1.12 0.82 -1.01 1.87 0.00 -0.22 0.88 119.26 122.72 1e0g h ALA 17 Ca 0.13 0.13 0.23 0.00 0.00 0.00 0.00 54.91 55.39 1e0g h ALA 17 Cb -0.04 0.16 -0.11 0.00 0.00 0.00 0.00 17.79 17.80 1e0g h ALA 17 CO -0.03 -0.28 0.61 -0.22 0.00 0.00 0.00 179.25 179.33 1e0g h LYS 18 N 0.31 0.60 -0.42 0.00 3.64 -0.38 0.62 116.57 120.93 1e0g h LYS 18 Ca 0.35 -0.04 0.09 0.00 -1.27 0.00 0.00 60.65 59.79 1e0g h LYS 18 Cb 0.53 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 1e0g h LYS 18 CO -0.42 0.40 0.29 0.00 -2.27 0.00 0.00 179.45 177.46 1e0g h ARG 19 N 0.62 0.16 -0.17 1.90 3.08 -0.66 -1.47 114.38 117.84 1e0g h ARG 19 Ca 0.61 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.65 1e0g h ARG 19 Cb 1.14 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.15 1e0g h ARG 19 CO -0.41 0.10 0.00 0.72 -1.07 0.00 0.00 179.97 179.32 1e0g n HIS 20 N -4.45 0.30 -3.80 3.04 -0.00 0.15 -4.98 115.22 105.48 1e0g n HIS 20 Ca 0.06 -0.60 -0.27 0.00 -0.00 0.00 0.00 57.72 56.92 1e0g n HIS 20 Cb 0.38 -0.08 0.01 0.00 -0.00 0.00 0.00 29.99 30.30 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 -0.20 -0.52 3.67 -1.41 0.00 0.17 -4.88 105.19 102.02 1e0g n GLY 21 Ca 0.09 0.26 -0.30 0.00 0.00 0.00 0.00 46.02 46.07 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 1.68 -0.62 1.61 -7.23 -0.72 -4.90 120.40 106.49 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 -2.68 0.16 0.00 0.56 0.00 0.00 36.38 34.36 1e0g s VAL 22 CO 0.86 0.00 0.52 0.20 -0.31 0.00 0.00 175.10 176.37 1e0g s ASN 23 N -3.77 5.99 0.60 4.85 -0.87 -1.26 -4.59 114.94 115.88 1e0g s ASN 23 Ca 0.24 -2.35 0.29 0.00 -1.57 0.00 0.00 52.86 49.47 1e0g s ASN 23 Cb 0.07 -2.06 1.48 0.00 -0.02 0.00 0.00 41.25 40.72 1e0g s ASN 23 CO 0.12 -0.61 1.89 0.40 -2.57 0.00 0.00 177.10 176.33 1e0g h ILE 24 N 5.50 0.30 -0.73 0.60 1.08 -1.91 1.05 117.51 123.39 1e0g h ILE 24 Ca -0.08 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.35 1e0g h ILE 24 Cb 1.04 0.62 -0.03 0.00 -3.07 0.00 0.00 36.82 35.37 1e0g h ILE 24 CO 0.82 0.00 0.31 0.07 -0.69 0.00 0.00 178.15 178.66 1e0g h LYS 25 N 0.00 1.08 -0.77 2.37 2.10 -1.97 0.26 116.57 119.63 1e0g h LYS 25 Ca 0.17 -0.18 -0.04 0.00 -2.00 0.00 0.00 60.65 58.61 1e0g h LYS 25 Cb 1.10 -0.18 -0.03 0.00 -0.90 0.00 0.00 32.23 32.21 1e0g h LYS 25 CO -0.00 0.86 0.33 -0.44 -2.00 0.00 0.00 179.45 178.20 1e0g h ASP 26 N 1.06 1.04 -0.68 7.07 3.32 0.73 0.58 116.42 129.54 1e0g h ASP 26 Ca 0.25 -0.16 0.06 0.00 0.02 0.00 0.00 57.03 57.20 1e0g h ASP 26 Cb 0.18 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 39.40 1e0g h ASP 26 CO -0.02 0.91 0.38 0.58 -1.72 0.00 0.00 179.24 179.37 1e0g h VAL 27 N 1.10 0.98 0.00 -1.35 2.07 -0.45 0.63 116.25 119.23 1e0g h VAL 27 Ca 0.26 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.54 1e0g h VAL 27 Cb 0.18 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.16 1e0g h VAL 27 CO -0.03 0.13 0.00 0.23 0.02 0.00 0.00 177.57 177.92 1e0g n MET 28 N -4.77 0.16 -0.00 1.57 2.81 0.71 -1.54 117.12 116.05 1e0g n MET 28 Ca 0.08 0.29 -0.17 0.00 -1.81 0.00 0.00 57.70 56.09 1e0g n MET 28 Cb 0.17 -1.75 -0.10 0.00 -0.71 0.00 0.00 33.22 30.83 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 0.53 0.22 0.03 2.43 0.57 -3.32 114.38 114.84 1e0g h ARG 29 Ca 0.00 -0.50 -0.34 0.00 -0.81 0.00 0.00 59.98 58.33 1e0g h ARG 29 Cb 0.47 0.13 0.03 0.00 -0.42 0.00 0.00 29.97 30.17 1e0g h ARG 29 CO 0.00 1.13 -1.58 -1.49 -1.51 0.00 0.00 179.97 176.52 1e0g h TRP 30 N 0.11 0.85 -3.00 2.20 6.55 -1.10 -3.44 115.95 118.13 1e0g h TRP 30 Ca -0.07 -0.62 -0.63 0.00 0.95 0.00 0.00 58.89 58.52 1e0g h TRP 30 Cb 1.32 -0.03 -0.10 0.00 -0.86 0.00 0.00 29.16 29.49 1e0g h TRP 30 CO 0.12 1.59 -0.48 -0.80 -1.05 0.00 0.00 178.44 177.83 1e0g s ASN 31 N -7.45 6.30 0.00 -3.49 0.01 -0.59 -5.03 114.94 104.69 1e0g s ASN 31 Ca -0.11 0.35 0.00 0.00 -0.71 0.00 0.00 52.86 52.38 1e0g s ASN 31 Cb 0.05 -2.08 0.00 0.00 0.41 0.00 0.00 41.25 39.62 1e0g s ASN 31 CO 0.91 0.28 0.00 -1.20 -1.51 0.00 0.00 177.10 175.58 1e0g n SER 32 N 2.84 0.00 -4.56 -1.22 7.64 -1.26 -4.37 113.62 112.69 1e0g n SER 32 Ca -0.18 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.30 1e0g n SER 32 Cb 0.53 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.70 1e0g n SER 32 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1e0g s ASP 33 N -1.00 5.74 -0.14 6.43 -1.08 -1.26 -4.85 116.67 120.51 1e0g s ASP 33 Ca 0.00 0.11 -0.04 0.00 -0.52 0.00 0.00 52.55 52.10 1e0g s ASP 33 Cb 0.00 -2.54 -0.12 0.00 -1.46 0.00 0.00 42.92 38.80 1e0g s ASP 33 CO 0.00 -2.05 3.10 0.35 0.52 0.00 0.00 175.17 177.08 1e0g n THR 34 N 6.89 2.94 0.41 1.71 -2.24 -1.26 -4.44 114.28 118.29 1e0g n THR 34 Ca 0.13 -1.77 0.07 0.00 -2.27 0.00 0.00 64.05 60.21 1e0g n THR 34 Cb 0.50 -1.79 0.29 0.00 -2.10 0.00 0.00 70.33 67.23 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 1.81 1.55 1.89 6.98 0.00 -1.26 -1.58 120.51 129.91 1e0g n ALA 35 Ca 0.38 -0.02 0.15 0.00 0.00 0.00 0.00 53.44 53.95 1e0g n ALA 35 Cb 0.75 -1.22 0.84 0.00 0.00 0.00 0.00 19.45 19.82 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 -1.59 0.31 -3.80 0.00 3.02 -1.26 -4.34 115.26 107.61 1e0g n ASN 36 Ca 0.03 -1.13 -0.42 0.00 -0.03 0.00 0.00 54.58 53.03 1e0g n ASN 36 Cb 0.15 -0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.32 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 -0.75 6.83 -4.80 3.41 4.32 -0.61 -4.51 117.00 120.89 1e0g n LEU 37 Ca 0.22 -4.54 -0.22 0.00 -0.02 0.00 0.00 56.01 51.46 1e0g n LEU 37 Cb 0.16 -1.52 -0.05 0.00 -1.62 0.00 0.00 43.42 40.40 1e0g n LEU 37 CO 0.17 1.37 -0.14 -1.10 -1.22 0.00 0.00 177.39 176.47 1e0g s GLN 38 N 0.99 2.62 -0.97 3.23 -1.52 -1.26 -4.99 119.66 117.76 1e0g s GLN 38 Ca 0.43 -1.34 -0.24 0.00 -1.95 0.00 0.00 55.36 52.25 1e0g s GLN 38 Cb 0.11 -2.38 -0.07 0.00 -0.22 0.00 0.00 33.01 30.45 1e0g s GLN 38 CO -0.02 0.16 1.98 -1.25 -0.25 0.00 0.00 175.29 175.90 1e0g s PRO 39 N -3.91 2.44 0.00 2.91 0.04 -1.22 -1.43 135.00 133.83 1e0g s PRO 39 Ca 0.38 -0.45 0.00 0.00 0.04 0.00 0.00 61.00 60.97 1e0g s PRO 39 Cb -0.05 -5.09 0.00 0.00 0.04 0.00 0.00 34.50 29.40 1e0g s PRO 39 CO 0.25 -3.66 0.00 0.41 0.04 0.00 0.00 177.00 174.04 1e0g n GLY 40 N 6.58 0.91 3.53 0.56 0.00 0.20 -4.77 105.19 112.20 1e0g n GLY 40 Ca 0.42 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.29 4.12 0.52 1.61 1.11 -0.51 -4.86 116.67 117.37 1e0g s ASP 41 Ca 0.00 -0.46 -0.09 0.00 0.18 0.00 0.00 52.55 52.18 1e0g s ASP 41 Cb 0.00 -0.69 -0.05 0.00 1.07 0.00 0.00 42.92 43.25 1e0g s ASP 41 CO 0.00 0.19 0.89 -1.59 1.18 0.00 0.00 175.17 175.84 1e0g s LYS 42 N -2.08 3.65 -0.02 8.23 -2.85 -1.26 0.06 119.74 125.47 1e0g s LYS 42 Ca 0.19 0.52 0.02 0.00 -1.00 0.00 0.00 55.97 55.70 1e0g s LYS 42 Cb -0.11 -2.25 0.00 0.00 -2.06 0.00 0.00 37.83 33.42 1e0g s LYS 42 CO 0.11 -0.31 -0.05 -1.17 0.10 0.00 0.00 175.35 174.02 1e0g s LEU 43 N -4.68 1.78 -0.05 2.77 0.20 0.18 -4.81 118.68 114.08 1e0g s LEU 43 Ca 0.52 -0.11 -0.30 0.00 0.69 0.00 0.00 54.13 54.93 1e0g s LEU 43 Cb -0.10 -0.34 -0.04 0.00 -0.43 0.00 0.00 46.19 45.28 1e0g s LEU 43 CO 0.44 0.03 1.38 -0.89 -0.29 0.00 0.00 176.35 177.03 1e0g s THR 44 N 0.20 3.88 -0.66 3.68 2.01 -1.26 -1.49 115.64 122.01 1e0g s THR 44 Ca -0.02 1.19 0.03 0.00 0.31 0.00 0.00 61.69 63.20 1e0g s THR 44 Cb -0.06 -3.77 0.36 0.00 0.01 0.00 0.00 72.50 69.04 1e0g s THR 44 CO -0.00 -0.04 1.28 0.18 -0.69 0.00 0.00 174.62 175.35 1e0g n LEU 45 N 5.86 5.44 0.30 4.42 4.77 0.86 -4.76 117.00 133.89 1e0g n LEU 45 Ca 0.14 -5.42 0.18 0.00 -0.03 0.00 0.00 56.01 50.87 1e0g n LEU 45 Cb 0.44 -0.71 0.89 0.00 -2.33 0.00 0.00 43.42 41.71 1e0g n LEU 45 CO 0.58 2.20 1.15 -0.26 -1.33 0.00 0.00 177.39 179.73 1e0g h PHE 46 N 3.12 0.00 -0.88 -1.77 0.04 -1.91 -2.32 116.94 113.22 1e0g h PHE 46 Ca 0.30 0.00 0.36 0.00 2.80 0.00 0.00 57.97 61.43 1e0g h PHE 46 Cb 0.52 0.00 -0.16 0.00 2.20 0.00 0.00 35.95 38.51 1e0g h PHE 46 CO 0.97 0.00 0.43 1.33 -0.60 0.00 0.00 178.31 180.44 1e0g n VAL 47 N -3.12 -0.37 1.67 -0.55 0.24 -1.26 -4.95 118.33 110.00 1e0g n VAL 47 Ca -0.01 1.80 0.15 0.00 -2.04 0.00 0.00 64.34 64.24 1e0g n VAL 47 Cb 0.34 -2.89 0.67 0.00 -1.47 0.00 0.00 33.84 30.49 1e0g n VAL 47 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86