#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eoo s SER 2 N 0.00 -0.50 0.23 1.61 0.15 -1.26 -5.18 113.70 108.75 2eoo s SER 2 Ca 0.00 0.44 -0.21 0.00 0.70 0.00 0.00 55.95 56.88 2eoo s SER 2 Cb 0.00 1.47 0.07 0.00 -1.71 0.00 0.00 66.02 65.85 2eoo s SER 2 CO 0.00 -0.09 0.97 -0.55 1.20 0.00 0.00 173.24 174.76 2eoo s SER 3 N 2.72 -0.02 0.00 5.45 0.15 -1.26 -5.07 113.70 115.68 2eoo s SER 3 Ca -0.00 -0.77 0.00 0.00 0.70 0.00 0.00 55.95 55.88 2eoo s SER 3 Cb -0.08 0.59 0.00 0.00 -1.71 0.00 0.00 66.02 64.81 2eoo s SER 3 CO -0.14 -1.16 0.00 0.61 1.20 0.00 0.00 173.24 173.75 2eoo n GLY 4 N -0.64 0.70 3.98 9.45 0.00 -1.26 -5.00 105.19 112.42 2eoo n GLY 4 Ca -0.05 -0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 2eoo n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2eoo n SER 5 N 0.00 -4.39 -4.49 1.61 2.88 -1.26 -4.91 113.62 103.06 2eoo n SER 5 Ca 0.00 -0.83 -0.43 0.00 -1.33 0.00 0.00 58.87 56.28 2eoo n SER 5 Cb 0.00 -3.53 -0.07 0.00 -0.75 0.00 0.00 64.21 59.86 2eoo n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2eoo s SER 6 N -3.26 6.25 -0.17 -3.46 1.04 -1.26 -5.03 113.70 107.81 2eoo s SER 6 Ca 0.68 -0.61 -0.15 0.00 0.48 0.00 0.00 55.95 56.35 2eoo s SER 6 Cb -0.35 -2.27 0.05 0.00 0.10 0.00 0.00 66.02 63.54 2eoo s SER 6 CO 0.84 -0.73 0.45 -0.83 0.98 0.00 0.00 173.24 173.95 2eoo s GLY 7 N 2.09 -0.34 -0.13 7.32 0.00 -1.26 -5.15 107.32 109.84 2eoo s GLY 7 Ca 0.17 1.32 0.00 0.00 0.00 0.00 0.00 44.72 46.21 2eoo s GLY 7 CO 0.15 1.19 -0.14 -1.35 0.00 0.00 0.00 173.10 172.95 2eoo s SER 8 N 0.41 3.94 -0.14 1.64 1.04 -1.26 -4.89 113.70 114.43 2eoo s SER 8 Ca -0.01 -0.35 -0.06 0.00 0.48 0.00 0.00 55.95 56.01 2eoo s SER 8 Cb -0.04 -1.60 0.02 0.00 0.10 0.00 0.00 66.02 64.51 2eoo s SER 8 CO -0.01 0.16 0.11 0.61 0.98 0.00 0.00 173.24 175.08 2eoo n GLY 9 N 3.58 -4.24 3.57 7.32 0.00 -1.26 -4.79 105.19 109.38 2eoo n GLY 9 Ca -0.18 0.77 -0.30 0.00 0.00 0.00 0.00 46.02 46.31 2eoo n GLY 9 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2eoo s GLU 10 N -0.87 2.70 0.21 1.61 2.56 -1.26 -4.92 118.70 118.73 2eoo s GLU 10 Ca -0.13 -1.04 -0.18 0.00 0.00 0.00 0.00 54.97 53.62 2eoo s GLU 10 Cb 0.01 -5.24 -0.12 0.00 2.00 0.00 0.00 34.13 30.79 2eoo s GLU 10 CO 0.50 -3.60 0.22 2.89 -0.56 0.00 0.00 175.26 174.72 2eoo n ARG 11 N 8.45 0.00 0.02 4.30 0.00 -1.26 -4.88 116.66 123.29 2eoo n ARG 11 Ca 0.44 0.00 -0.13 0.00 -0.00 0.00 0.00 57.85 58.16 2eoo n ARG 11 Cb 0.47 -0.71 -0.09 0.00 -0.00 0.00 0.00 32.46 32.12 2eoo n ARG 11 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 2eoo h PRO 12 N 0.48 -0.07 -0.99 2.89 0.13 -1.91 -3.16 132.00 129.36 2eoo h PRO 12 Ca -0.23 0.01 -0.23 0.00 -0.87 0.00 0.00 66.00 64.67 2eoo h PRO 12 Cb 1.03 0.02 -0.14 0.00 0.13 0.00 0.00 31.00 32.03 2eoo h PRO 12 CO 0.37 0.38 0.29 0.66 -0.23 0.00 0.00 178.00 179.48 2eoo n TYR 13 N -4.90 1.41 -1.67 1.56 4.01 -1.26 -4.92 117.16 111.39 2eoo n TYR 13 Ca -0.08 -1.10 -0.41 0.00 -0.16 0.00 0.00 57.90 56.15 2eoo n TYR 13 Cb 0.25 -0.56 -0.03 0.00 -0.31 0.00 0.00 39.34 38.69 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 -0.07 0.28 0.34 2.72 0.00 -1.20 -3.72 107.32 105.67 2eoo s GLY 14 Ca 0.26 0.44 -0.26 0.00 0.00 0.00 0.00 44.72 45.16 2eoo s GLY 14 CO 0.05 3.80 1.00 0.00 0.00 0.00 0.00 173.10 177.95 2eoo n ASN 16 N 0.45 3.04 -0.35 0.00 5.15 -1.26 -3.35 115.26 118.94 2eoo n ASN 16 Ca 0.02 -0.06 0.00 0.00 -0.60 0.00 0.00 54.58 53.94 2eoo n ASN 16 Cb 0.49 -0.17 0.05 0.00 -0.53 0.00 0.00 39.78 39.62 2eoo n ASN 16 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2eoo n GLU 17 N -2.85 -0.19 -0.05 1.20 -0.58 -1.26 -3.37 120.64 113.54 2eoo n GLU 17 Ca -0.22 1.41 -0.07 0.00 -0.42 0.00 0.00 57.16 57.87 2eoo n GLU 17 Cb 0.73 -2.10 -0.04 0.00 -0.57 0.00 0.00 31.44 29.46 2eoo n GLU 17 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2eoo n GLY 19 N 3.04 0.69 2.83 0.00 0.00 -1.22 -5.13 105.19 105.41 2eoo n GLY 19 Ca -0.17 -0.41 -0.26 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.26 1.04 0.48 1.61 1.02 -1.21 -4.95 119.74 117.47 2eoo s LYS 20 Ca 0.00 -0.19 -0.08 0.00 0.02 0.00 0.00 55.97 55.72 2eoo s LYS 20 Cb 0.00 -1.51 -0.05 0.00 -0.52 0.00 0.00 37.83 35.76 2eoo s LYS 20 CO 0.00 -0.36 0.83 0.54 -0.92 0.00 0.00 175.35 175.43 2eoo s ASN 21 N 1.82 6.35 0.25 2.83 2.20 -1.26 -2.32 114.94 124.80 2eoo s ASN 21 Ca 0.03 1.10 -0.03 0.00 -0.94 0.00 0.00 52.86 53.02 2eoo s ASN 21 Cb -0.14 -2.32 -0.02 0.00 -2.00 0.00 0.00 41.25 36.77 2eoo s ASN 21 CO -0.07 -0.57 0.29 -0.36 -2.94 0.00 0.00 177.10 173.45 2eoo s PHE 22 N -2.70 1.01 -0.02 1.54 0.08 -1.24 -4.95 117.98 111.70 2eoo s PHE 22 Ca 0.50 -1.23 0.04 0.00 0.12 0.00 0.00 56.93 56.36 2eoo s PHE 22 Cb -0.10 -0.31 -0.07 0.00 -0.57 0.00 0.00 43.02 41.97 2eoo s PHE 22 CO 0.42 -0.84 0.07 0.41 -0.10 0.00 0.00 175.22 175.18 2eoo n GLY 23 N -0.39 -0.22 3.73 4.36 0.00 -1.26 -4.20 105.19 107.21 2eoo n GLY 23 Ca 0.02 -0.10 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 2eoo n GLY 23 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2eoo s ARG 24 N -2.24 2.79 0.10 1.61 0.52 -1.26 -4.99 118.95 115.48 2eoo s ARG 24 Ca -0.02 -0.68 -0.21 0.00 -0.52 0.00 0.00 55.73 54.30 2eoo s ARG 24 Cb 0.02 -2.68 -0.11 0.00 0.52 0.00 0.00 34.95 32.70 2eoo s ARG 24 CO 0.19 0.59 1.75 1.25 0.02 0.00 0.00 175.30 179.10 2eoo h HIS 25 N 3.73 0.12 0.33 -0.53 -0.00 -2.01 -3.07 115.15 113.71 2eoo h HIS 25 Ca -0.48 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 59.89 2eoo h HIS 25 Cb 1.17 -0.04 -0.01 0.00 -0.00 0.00 0.00 27.41 28.53 2eoo h HIS 25 CO 0.61 0.08 -0.23 0.66 -0.00 0.00 0.00 177.93 179.05 2eoo h SER 26 N 0.12 -0.59 -0.86 3.26 4.64 -1.99 -2.37 113.55 115.75 2eoo h SER 26 Ca 0.03 0.04 0.16 0.00 -0.47 0.00 0.00 61.79 61.56 2eoo h SER 26 Cb -0.01 0.19 -0.16 0.00 -0.31 0.00 0.00 62.40 62.11 2eoo h SER 26 CO -0.01 -0.36 -0.25 1.41 -0.87 0.00 0.00 176.83 176.75 2eoo n HIS 27 N -5.36 0.22 0.33 4.77 8.25 -1.17 -0.49 115.22 121.77 2eoo n HIS 27 Ca -0.10 1.06 -0.16 0.00 -0.26 0.00 0.00 57.72 58.26 2eoo n HIS 27 Cb 0.27 -0.95 -0.08 0.00 1.12 0.00 0.00 29.99 30.35 2eoo n HIS 27 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2eoo h LEU 28 N 0.00 -0.72 -0.29 2.41 5.85 -1.41 -0.37 115.31 120.77 2eoo h LEU 28 Ca 0.38 -0.02 0.04 0.00 0.84 0.00 0.00 57.88 59.12 2eoo h LEU 28 Cb 0.60 0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.75 2eoo h LEU 28 CO -0.88 -0.41 -0.43 0.40 -0.34 0.00 0.00 178.44 176.78 2eoo h ILE 29 N -1.01 0.00 -0.71 4.05 1.08 -0.27 0.28 117.51 120.93 2eoo h ILE 29 Ca -0.09 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.48 2eoo h ILE 29 Cb 0.69 0.00 -0.07 0.00 -3.07 0.00 0.00 36.82 34.37 2eoo h ILE 29 CO 0.14 0.00 0.34 -0.33 -0.69 0.00 0.00 178.15 177.61 2eoo h GLU 30 N -0.32 0.55 -0.54 2.37 5.08 -0.85 -1.60 114.58 119.26 2eoo h GLU 30 Ca 0.05 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.43 2eoo h GLU 30 Cb 0.46 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.54 2eoo h GLU 30 CO -0.45 0.36 0.27 1.25 -1.00 0.00 0.00 179.01 179.44 2eoo h HIS 31 N 0.56 0.48 -0.16 4.33 2.76 0.36 -0.15 115.15 123.33 2eoo h HIS 31 Ca 0.36 0.02 0.05 0.00 -2.20 0.00 0.00 60.37 58.59 2eoo h HIS 31 Cb 0.41 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 29.22 2eoo h HIS 31 CO -0.12 0.22 0.20 -0.07 -1.30 0.00 0.00 177.93 176.86 2eoo h LEU 32 N 0.51 0.00 -0.40 0.26 3.38 0.50 -2.27 115.31 117.28 2eoo h LEU 32 Ca 0.25 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.30 2eoo h LEU 32 Cb 0.18 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.85 2eoo h LEU 32 CO -0.19 0.00 -0.14 0.11 0.09 0.00 0.00 178.44 178.31 2eoo h LYS 33 N 0.00 -0.05 -0.31 1.13 1.79 -0.81 -2.61 116.57 115.71 2eoo h LYS 33 Ca 0.07 0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.58 2eoo h LYS 33 Cb 0.47 0.01 -0.06 0.00 -1.58 0.00 0.00 32.23 31.07 2eoo h LYS 33 CO -0.00 -0.04 -0.37 0.00 -1.08 0.00 0.00 179.45 177.97 2eoo h ARG 34 N -0.06 -0.22 -0.66 3.15 2.47 -1.53 -1.74 114.38 115.79 2eoo h ARG 34 Ca 0.20 0.02 0.08 0.00 -1.26 0.00 0.00 59.98 59.01 2eoo h ARG 34 Cb 0.36 0.05 -0.10 0.00 -1.65 0.00 0.00 29.97 28.62 2eoo h ARG 34 CO -0.45 -0.15 -0.54 0.45 0.56 0.00 0.00 179.97 179.85 2eoo h HIS 35 N -0.23 -1.66 -0.40 3.04 3.86 -1.64 -2.06 115.15 116.06 2eoo h HIS 35 Ca 0.05 0.10 0.04 0.00 -1.16 0.00 0.00 60.37 59.40 2eoo h HIS 35 Cb 0.37 0.81 -0.06 0.00 1.06 0.00 0.00 27.41 29.60 2eoo h HIS 35 CO -0.72 -0.43 -0.32 0.35 0.86 0.00 0.00 177.93 177.67 2eoo h PHE 36 N -0.22 -1.01 -2.29 2.45 3.57 -1.04 -3.37 116.94 115.04 2eoo h PHE 36 Ca 0.14 0.06 -0.55 0.00 3.53 0.00 0.00 57.97 61.14 2eoo h PHE 36 Cb 0.53 0.49 0.01 0.00 2.79 0.00 0.00 35.95 39.77 2eoo h PHE 36 CO -0.83 -0.24 1.30 0.50 -2.23 0.00 0.00 178.31 176.81 2eoo s ARG 37 N -4.43 3.81 -0.21 1.11 3.52 -0.72 -4.95 118.95 117.07 2eoo s ARG 37 Ca -0.07 2.36 -0.04 0.00 -0.13 0.00 0.00 55.73 57.85 2eoo s ARG 37 Cb 0.05 -4.21 0.07 0.00 -1.56 0.00 0.00 34.95 29.30 2eoo s ARG 37 CO 0.34 -1.33 0.08 -1.21 -0.81 0.00 0.00 175.30 172.37 2eoo s GLU 38 N 5.05 0.37 -1.15 5.12 0.41 -1.26 -4.87 118.70 122.36 2eoo s GLU 38 Ca 0.91 -0.38 -0.17 0.00 -0.41 0.00 0.00 54.97 54.91 2eoo s GLU 38 Cb -0.38 -1.84 0.12 0.00 -1.78 0.00 0.00 34.13 30.24 2eoo s GLU 38 CO 0.38 -0.75 1.46 0.21 -0.49 0.00 0.00 175.26 176.08 2eoo s LYS 39 N 1.98 3.89 -0.28 1.61 2.20 -1.26 -4.83 119.74 123.04 2eoo s LYS 39 Ca 0.03 -2.04 -0.01 0.00 -0.36 0.00 0.00 55.97 53.58 2eoo s LYS 39 Cb -0.17 -5.21 0.15 0.00 -1.51 0.00 0.00 37.83 31.09 2eoo s LYS 39 CO -0.15 -1.97 2.17 -1.13 -0.36 0.00 0.00 175.35 173.91 2eoo n SER 40 N 7.07 6.29 -4.61 1.43 3.41 -1.26 -4.90 113.62 121.05 2eoo n SER 40 Ca 0.37 -2.98 -0.41 0.00 -0.26 0.00 0.00 58.87 55.59 2eoo n SER 40 Cb 0.46 -1.10 -0.06 0.00 -0.26 0.00 0.00 64.21 63.25 2eoo n SER 40 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2eoo s SER 41 N 0.50 6.55 0.00 4.04 0.01 -1.26 -4.88 113.70 118.65 2eoo s SER 41 Ca 0.32 0.54 0.00 0.00 1.31 0.00 0.00 55.95 58.12 2eoo s SER 41 Cb 0.23 -2.35 0.00 0.00 0.21 0.00 0.00 66.02 64.12 2eoo s SER 41 CO -0.03 -0.47 0.00 0.61 0.41 0.00 0.00 173.24 173.76 2eoo n GLY 42 N 4.31 -1.86 3.55 3.44 0.00 -1.26 -5.03 105.19 108.35 2eoo n GLY 42 Ca -0.00 -1.37 -0.30 0.00 0.00 0.00 0.00 46.02 44.35 2eoo n GLY 42 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2eoo n PRO 43 N -0.79 -3.17 -3.97 1.61 -0.04 -1.26 -5.05 135.00 122.32 2eoo n PRO 43 Ca 0.00 -1.77 -0.33 0.00 -0.04 0.00 0.00 63.50 61.35 2eoo n PRO 43 Cb 0.00 -1.66 -0.06 0.00 -0.04 0.00 0.00 33.50 31.74 2eoo n PRO 43 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2eoo s SER 44 N -4.50 6.14 -0.14 3.54 0.15 -1.26 -4.99 113.70 112.64 2eoo s SER 44 Ca 0.72 0.28 -0.03 0.00 0.70 0.00 0.00 55.95 57.62 2eoo s SER 44 Cb -0.07 -1.88 -0.06 0.00 -1.71 0.00 0.00 66.02 62.30 2eoo s SER 44 CO 0.55 0.27 2.78 -1.20 1.20 0.00 0.00 173.24 176.84 2eoo n SER 45 N 1.06 5.70 0.00 5.45 7.64 -1.26 -5.32 113.62 126.89 2eoo n SER 45 Ca -0.12 -2.69 0.00 0.00 1.01 0.00 0.00 58.87 57.07 2eoo n SER 45 Cb 0.53 -1.25 0.00 0.00 -1.01 0.00 0.00 64.21 62.48 2eoo n SER 45 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64