#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eoo h SER 2 N 0.00 0.18 -3.31 1.61 0.87 -2.13 -3.40 113.55 107.36 2eoo h SER 2 Ca 0.00 0.03 -0.64 0.00 -1.23 0.00 0.00 61.79 59.95 2eoo h SER 2 Cb 0.00 -0.00 -0.19 0.00 -0.44 0.00 0.00 62.40 61.77 2eoo h SER 2 CO 0.00 0.14 -0.63 -0.55 -0.53 0.00 0.00 176.83 175.25 2eoo s SER 3 N -5.38 5.07 0.02 6.23 0.15 -1.26 -5.11 113.70 113.43 2eoo s SER 3 Ca -0.13 -0.02 0.02 0.00 0.70 0.00 0.00 55.95 56.52 2eoo s SER 3 Cb 0.11 -1.75 -0.01 0.00 -1.71 0.00 0.00 66.02 62.66 2eoo s SER 3 CO 0.71 0.22 -0.08 -0.83 1.20 0.00 0.00 173.24 174.46 2eoo s GLY 4 N 0.09 0.44 -0.15 9.45 0.00 -1.26 -5.14 107.32 110.76 2eoo s GLY 4 Ca 0.01 -0.54 0.01 0.00 0.00 0.00 0.00 44.72 44.21 2eoo s GLY 4 CO 0.02 -0.54 -0.18 -0.56 0.00 0.00 0.00 173.10 171.84 2eoo s SER 5 N -0.87 3.42 0.31 1.64 0.01 -1.26 -5.01 113.70 111.94 2eoo s SER 5 Ca -0.03 -0.52 0.04 0.00 1.31 0.00 0.00 55.95 56.74 2eoo s SER 5 Cb -0.06 -1.51 0.80 0.00 0.21 0.00 0.00 66.02 65.46 2eoo s SER 5 CO 0.00 0.09 1.60 0.28 0.41 0.00 0.00 173.24 175.62 2eoo h SER 6 N 7.26 -0.20 0.00 2.44 0.02 -2.05 -3.43 113.55 117.60 2eoo h SER 6 Ca -0.32 0.24 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 2eoo h SER 6 Cb 1.19 0.37 0.00 0.00 0.14 0.00 0.00 62.40 64.11 2eoo h SER 6 CO 0.56 -0.28 0.00 0.61 -1.14 0.00 0.00 176.83 176.57 2eoo n GLY 7 N -1.42 3.82 0.53 -3.77 0.00 -1.26 -5.10 105.19 97.99 2eoo n GLY 7 Ca 0.24 -0.43 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 2eoo n GLY 7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2eoo n SER 8 N 0.00 1.29 0.00 1.61 3.41 -1.26 -5.14 113.62 113.53 2eoo n SER 8 Ca 0.00 0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 2eoo n SER 8 Cb 0.00 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 63.67 2eoo n SER 8 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2eoo n GLY 9 N 2.47 -2.44 0.13 5.00 0.00 -1.26 -5.00 105.19 104.08 2eoo n GLY 9 Ca -0.21 -1.27 -0.20 0.00 0.00 0.00 0.00 46.02 44.34 2eoo n GLY 9 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2eoo h GLU 10 N 0.00 0.39 -6.28 1.61 4.39 -2.01 -3.45 114.58 109.23 2eoo h GLU 10 Ca 0.00 -0.58 -0.55 0.00 0.34 0.00 0.00 59.36 58.56 2eoo h GLU 10 Cb 0.00 0.21 -0.04 0.00 -0.10 0.00 0.00 28.75 28.81 2eoo h GLU 10 CO 0.00 1.25 0.06 1.03 -1.16 0.00 0.00 179.01 180.20 2eoo s ARG 11 N -2.67 4.38 0.48 2.33 1.81 -1.26 -4.97 118.95 119.05 2eoo s ARG 11 Ca -0.12 0.91 0.26 0.00 -1.72 0.00 0.00 55.73 55.06 2eoo s ARG 11 Cb 0.02 -3.30 1.12 0.00 -0.45 0.00 0.00 34.95 32.35 2eoo s ARG 11 CO 0.85 0.48 1.91 -1.00 -0.68 0.00 0.00 175.30 176.87 2eoo h PRO 12 N 4.99 0.00 -0.93 3.54 0.13 -1.92 -2.81 132.00 135.00 2eoo h PRO 12 Ca -0.47 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.24 2eoo h PRO 12 Cb 1.21 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.08 2eoo h PRO 12 CO 0.67 0.17 0.54 0.66 -0.23 0.00 0.00 178.00 179.81 2eoo n TYR 13 N -3.39 2.89 -2.33 1.56 4.01 -1.26 -4.95 117.16 113.69 2eoo n TYR 13 Ca -0.00 -1.65 -0.43 0.00 -0.16 0.00 0.00 57.90 55.66 2eoo n TYR 13 Cb 0.37 -0.87 -0.02 0.00 -0.31 0.00 0.00 39.34 38.50 2eoo n TYR 13 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2eoo s GLY 14 N -1.19 1.17 -0.27 2.72 0.00 -1.06 -3.50 107.32 105.19 2eoo s GLY 14 Ca 0.56 -0.01 -0.29 0.00 0.00 0.00 0.00 44.72 44.98 2eoo s GLY 14 CO 0.12 2.76 1.05 0.00 0.00 0.00 0.00 173.10 177.03 2eoo h ASN 16 N 7.71 0.70 -1.21 0.00 -1.24 -1.93 1.55 115.58 121.15 2eoo h ASN 16 Ca -0.20 -0.52 0.40 0.00 0.71 0.00 0.00 56.30 56.70 2eoo h ASN 16 Cb 1.06 -0.21 -0.13 0.00 0.73 0.00 0.00 38.32 39.77 2eoo h ASN 16 CO 1.00 1.30 0.76 -0.08 -1.29 0.00 0.00 177.43 179.12 2eoo h GLU 17 N 0.34 0.14 0.00 6.67 4.22 -1.98 -3.28 114.58 120.68 2eoo h GLU 17 Ca -0.08 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.36 2eoo h GLU 17 Cb 1.52 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.74 2eoo h GLU 17 CO 0.17 0.09 -0.60 0.00 -2.18 0.00 0.00 179.01 176.48 2eoo n GLY 19 N 2.47 1.69 3.74 0.00 0.00 0.53 -5.07 105.19 108.54 2eoo n GLY 19 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 2eoo n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2eoo s LYS 20 N -0.00 4.40 -0.04 1.61 3.01 -1.14 -4.75 119.74 122.83 2eoo s LYS 20 Ca 0.00 0.82 0.01 0.00 -1.01 0.00 0.00 55.97 55.79 2eoo s LYS 20 Cb 0.00 -3.40 -0.03 0.00 -1.01 0.00 0.00 37.83 33.39 2eoo s LYS 20 CO 0.00 0.20 -0.05 0.54 0.51 0.00 0.00 175.35 176.56 2eoo s ASN 21 N 0.34 4.80 -0.20 2.83 2.20 -1.26 -0.75 114.94 122.90 2eoo s ASN 21 Ca 0.35 -0.03 -0.05 0.00 -0.94 0.00 0.00 52.86 52.18 2eoo s ASN 21 Cb -0.18 -1.21 0.07 0.00 -2.00 0.00 0.00 41.25 37.93 2eoo s ASN 21 CO 0.18 0.33 0.10 -0.36 -2.94 0.00 0.00 177.10 174.41 2eoo s PHE 22 N -0.93 0.22 0.60 1.54 0.40 -1.23 -4.99 117.98 113.59 2eoo s PHE 22 Ca 0.15 -0.46 0.29 0.00 -0.60 0.00 0.00 56.93 56.31 2eoo s PHE 22 Cb -0.11 -0.74 1.51 0.00 0.51 0.00 0.00 43.02 44.18 2eoo s PHE 22 CO 0.05 -0.60 1.92 0.78 0.70 0.00 0.00 175.22 178.06 2eoo h GLY 23 N 8.41 0.00 -2.74 4.36 0.00 -1.99 -3.41 103.07 107.71 2eoo h GLY 23 Ca -0.16 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.67 2eoo h GLY 23 CO 0.33 0.00 0.07 0.50 0.00 0.00 0.00 176.54 177.44 2eoo s ARG 24 N -4.55 3.84 -0.02 4.80 3.00 -1.26 -4.97 118.95 119.79 2eoo s ARG 24 Ca -0.04 0.48 -0.04 0.00 0.00 0.00 0.00 55.73 56.13 2eoo s ARG 24 Cb 0.15 -2.44 -0.02 0.00 0.00 0.00 0.00 34.95 32.63 2eoo s ARG 24 CO 0.51 0.07 0.35 1.25 0.00 0.00 0.00 175.30 177.48 2eoo h HIS 25 N 1.70 -0.14 -0.54 -0.53 -0.00 -2.01 -3.23 115.15 110.41 2eoo h HIS 25 Ca -0.47 -0.00 0.10 0.00 -0.00 0.00 0.00 60.37 59.99 2eoo h HIS 25 Cb 1.18 0.04 -0.11 0.00 -0.00 0.00 0.00 27.41 28.53 2eoo h HIS 25 CO 0.61 -0.08 -0.32 0.77 -0.00 0.00 0.00 177.93 178.91 2eoo h SER 26 N -0.41 -1.09 -0.99 3.26 0.02 -1.96 -1.61 113.55 110.78 2eoo h SER 26 Ca -0.01 0.21 0.10 0.00 -0.84 0.00 0.00 61.79 61.25 2eoo h SER 26 Cb 0.11 0.54 -0.13 0.00 0.14 0.00 0.00 62.40 63.06 2eoo h SER 26 CO 0.02 -0.30 -0.55 1.57 -1.14 0.00 0.00 176.83 176.44 2eoo n HIS 27 N -5.43 -0.35 -0.15 3.45 -0.00 -1.26 -0.04 115.22 111.44 2eoo n HIS 27 Ca 0.03 1.24 -0.03 0.00 -0.00 0.00 0.00 57.72 58.96 2eoo n HIS 27 Cb 0.35 -0.64 0.06 0.00 -0.00 0.00 0.00 29.99 29.76 2eoo n HIS 27 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2eoo h LEU 28 N 0.00 -0.05 0.23 0.27 5.85 -1.33 0.54 115.31 120.82 2eoo h LEU 28 Ca 0.19 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 59.00 2eoo h LEU 28 Cb 0.44 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 2eoo h LEU 28 CO -0.94 0.00 -0.21 0.40 -0.34 0.00 0.00 178.44 177.35 2eoo h ILE 29 N 0.20 0.00 -0.90 4.05 1.08 0.08 -0.52 117.51 121.50 2eoo h ILE 29 Ca 0.24 0.00 0.21 0.00 -0.39 0.00 0.00 64.86 64.92 2eoo h ILE 29 Cb 0.32 0.00 -0.12 0.00 -3.07 0.00 0.00 36.82 33.96 2eoo h ILE 29 CO -0.33 0.00 0.43 -0.33 -0.69 0.00 0.00 178.15 177.22 2eoo h GLU 30 N -0.44 0.45 -0.61 2.37 4.39 -0.69 0.11 114.58 120.17 2eoo h GLU 30 Ca -0.03 -0.03 0.04 0.00 0.34 0.00 0.00 59.36 59.68 2eoo h GLU 30 Cb 0.37 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 28.88 2eoo h GLU 30 CO -0.01 0.30 0.36 1.25 -1.16 0.00 0.00 179.01 179.74 2eoo h HIS 31 N 0.46 0.66 -0.55 4.33 -0.00 -0.57 -1.58 115.15 117.90 2eoo h HIS 31 Ca 0.55 0.02 0.06 0.00 -0.00 0.00 0.00 60.37 61.01 2eoo h HIS 31 Cb 1.01 -0.21 -0.03 0.00 -0.00 0.00 0.00 27.41 28.18 2eoo h HIS 31 CO -0.11 0.36 0.37 -0.07 -0.00 0.00 0.00 177.93 178.48 2eoo h LEU 32 N 0.69 0.44 -0.90 0.26 3.38 0.88 -2.74 115.31 117.31 2eoo h LEU 32 Ca 0.25 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.37 2eoo h LEU 32 Cb 0.07 -0.09 -0.15 0.00 0.09 0.00 0.00 40.66 40.58 2eoo h LEU 32 CO -0.13 0.29 -0.39 0.11 0.09 0.00 0.00 178.44 178.41 2eoo h LYS 33 N 0.50 -0.04 -0.76 1.13 1.79 -0.92 -0.84 116.57 117.43 2eoo h LYS 33 Ca 0.24 0.00 0.07 0.00 -2.18 0.00 0.00 60.65 58.78 2eoo h LYS 33 Cb 0.31 0.01 -0.09 0.00 -1.58 0.00 0.00 32.23 30.88 2eoo h LYS 33 CO -0.07 -0.03 -0.45 0.54 -1.08 0.00 0.00 179.45 178.37 2eoo n ARG 34 N -5.46 -0.33 -0.26 3.15 1.74 -1.03 0.11 116.66 114.58 2eoo n ARG 34 Ca 0.08 1.38 0.06 0.00 -0.77 0.00 0.00 57.85 58.60 2eoo n ARG 34 Cb 0.39 -2.03 0.18 0.00 -1.02 0.00 0.00 32.46 29.98 2eoo n ARG 34 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2eoo h HIS 35 N 0.00 0.08 1.01 -1.55 3.86 -1.34 -2.02 115.15 115.18 2eoo h HIS 35 Ca 0.12 0.05 -0.05 0.00 -1.16 0.00 0.00 60.37 59.33 2eoo h HIS 35 Cb 0.31 0.09 0.01 0.00 1.06 0.00 0.00 27.41 28.88 2eoo h HIS 35 CO -1.00 -0.20 -0.48 0.74 0.86 0.00 0.00 177.93 177.84 2eoo h PHE 36 N 0.15 -1.25 -2.04 2.45 0.04 -0.00 -3.44 116.94 112.84 2eoo h PHE 36 Ca 0.43 -0.03 -0.59 0.00 2.80 0.00 0.00 57.97 60.58 2eoo h PHE 36 Cb 0.78 0.41 0.19 0.00 2.20 0.00 0.00 35.95 39.53 2eoo h PHE 36 CO -0.36 -0.78 -1.27 -2.13 -0.60 0.00 0.00 178.31 173.17 2eoo n ARG 37 N -5.67 0.01 -0.09 1.51 3.00 0.49 -4.95 116.66 110.96 2eoo n ARG 37 Ca -0.17 0.01 -0.17 0.00 -0.00 0.00 0.00 57.85 57.51 2eoo n ARG 37 Cb 0.53 -1.03 -0.06 0.00 0.00 0.00 0.00 32.46 31.91 2eoo n ARG 37 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2eoo n GLU 38 N 1.63 0.47 -3.81 -0.14 4.71 -1.26 -4.96 120.64 117.28 2eoo n GLU 38 Ca 0.06 0.20 -0.27 0.00 -0.01 0.00 0.00 57.16 57.14 2eoo n GLU 38 Cb 0.49 -1.30 0.04 0.00 -1.01 0.00 0.00 31.44 29.65 2eoo n GLU 38 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2eoo n LYS 39 N -4.16 -5.94 -3.85 3.49 5.02 -1.26 -4.95 118.16 106.51 2eoo n LYS 39 Ca -0.31 0.65 -0.09 0.00 -2.02 0.00 0.00 58.31 56.54 2eoo n LYS 39 Cb 0.65 -5.53 0.01 0.00 -0.02 0.00 0.00 35.03 30.14 2eoo n LYS 39 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2eoo s SER 40 N -3.49 0.01 -0.18 4.39 1.04 -1.26 -5.10 113.70 109.11 2eoo s SER 40 Ca 0.54 -1.04 -0.17 0.00 0.48 0.00 0.00 55.95 55.76 2eoo s SER 40 Cb -0.26 0.80 -0.06 0.00 0.10 0.00 0.00 66.02 66.60 2eoo s SER 40 CO 0.81 -1.56 -0.33 -0.24 0.98 0.00 0.00 173.24 172.90 2eoo n SER 41 N -1.15 1.92 0.00 7.02 2.88 -1.26 -4.98 113.62 118.05 2eoo n SER 41 Ca -0.06 0.37 0.00 0.00 -1.33 0.00 0.00 58.87 57.84 2eoo n SER 41 Cb 0.60 -0.76 0.00 0.00 -0.75 0.00 0.00 64.21 63.30 2eoo n SER 41 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2eoo n GLY 42 N 1.46 0.93 0.16 0.46 0.00 -1.26 -3.82 105.19 103.12 2eoo n GLY 42 Ca -0.16 -0.73 -0.13 0.00 0.00 0.00 0.00 46.02 45.00 2eoo n GLY 42 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2eoo h PRO 43 N 0.00 0.45 -7.24 1.61 0.13 -2.01 -3.45 132.00 121.49 2eoo h PRO 43 Ca 0.00 -0.24 -0.51 0.00 -0.87 0.00 0.00 66.00 64.38 2eoo h PRO 43 Cb 0.00 0.01 0.11 0.00 0.13 0.00 0.00 31.00 31.25 2eoo h PRO 43 CO 0.00 0.81 0.35 -1.54 -0.23 0.00 0.00 178.00 177.39 2eoo s SER 44 N -6.25 4.88 0.01 1.44 1.04 -1.25 -4.98 113.70 108.60 2eoo s SER 44 Ca -0.14 1.94 -0.20 0.00 0.48 0.00 0.00 55.95 58.03 2eoo s SER 44 Cb 0.06 -2.54 -0.20 0.00 0.10 0.00 0.00 66.02 63.44 2eoo s SER 44 CO 0.77 -1.79 1.18 0.77 0.98 0.00 0.00 173.24 175.16 2eoo h SER 45 N -0.39 0.48 0.00 7.02 4.64 -1.87 -3.46 113.55 119.97 2eoo h SER 45 Ca -0.46 -0.67 0.00 0.00 -0.47 0.00 0.00 61.79 60.19 2eoo h SER 45 Cb 1.24 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 2eoo h SER 45 CO 0.53 1.07 0.00 0.61 -0.87 0.00 0.00 176.83 178.17