#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 -0.24 -0.02 1.61 0.01 -1.26 -5.16 113.70 108.65 2eoo s SER 2 Ca 0.00 0.78 0.03 0.00 1.31 0.00 0.00 55.95 58.07 2eoo s SER 2 Cb 0.00 0.81 -0.00 0.00 0.21 0.00 0.00 66.02 67.04 2eoo s SER 2 CO 0.00 -0.21 -0.09 -0.44 0.41 0.00 0.00 173.24 172.91 2eoo s SER 3 N 1.84 1.16 0.00 2.44 0.01 -1.26 -4.84 113.70 113.06 2eoo s SER 3 Ca -0.06 -0.18 0.00 0.00 1.31 0.00 0.00 55.95 57.02 2eoo s SER 3 Cb -0.10 -0.22 0.00 0.00 0.21 0.00 0.00 66.02 65.91 2eoo s SER 3 CO -0.11 0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.24 2eoo n GLY 4 N 3.06 1.09 4.01 3.44 0.00 -1.26 -4.60 105.19 110.93 2eoo n GLY 4 Ca -0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 2eoo n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2eoo n SER 5 N 2.17 -1.15 -3.94 1.61 3.41 -1.26 -4.87 113.62 109.59 2eoo n SER 5 Ca 0.00 -1.03 -0.10 0.00 -0.26 0.00 0.00 58.87 57.48 2eoo n SER 5 Cb 0.00 -1.32 -0.12 0.00 -0.26 0.00 0.00 64.21 62.52 2eoo n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2eoo s SER 6 N -3.06 0.15 -0.41 4.04 1.04 -1.26 -5.09 113.70 109.11 2eoo s SER 6 Ca 0.58 -0.33 0.10 0.00 0.48 0.00 0.00 55.95 56.78 2eoo s SER 6 Cb -0.34 0.10 0.32 0.00 0.10 0.00 0.00 66.02 66.19 2eoo s SER 6 CO 0.85 -0.23 0.70 0.61 0.98 0.00 0.00 173.24 176.14 2eoo n GLY 7 N 1.95 3.70 1.41 7.32 0.00 -1.26 -4.91 105.19 113.40 2eoo n GLY 7 Ca -0.21 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 43.97 2eoo n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2eoo n SER 8 N 0.56 0.57 0.00 1.61 7.64 -1.26 -5.17 113.62 117.56 2eoo n SER 8 Ca 0.25 0.25 0.00 0.00 1.01 0.00 0.00 58.87 60.38 2eoo n SER 8 Cb 0.58 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 2eoo n SER 8 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2eoo n GLY 9 N 2.74 0.09 3.29 0.23 0.00 -1.26 -5.11 105.19 105.17 2eoo n GLY 9 Ca 0.00 -1.19 -0.31 0.00 0.00 0.00 0.00 46.02 44.52 2eoo n GLY 9 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2eoo s GLU 10 N -2.00 2.28 -0.54 1.61 2.02 -1.26 -5.08 118.70 115.73 2eoo s GLU 10 Ca 0.00 -0.92 0.04 0.00 0.02 0.00 0.00 54.97 54.11 2eoo s GLU 10 Cb 0.00 -2.08 0.17 0.00 0.10 0.00 0.00 34.13 32.31 2eoo s GLU 10 CO 0.00 0.49 0.40 1.03 0.02 0.00 0.00 175.26 177.20 2eoo s ARG 11 N -0.43 1.59 0.04 1.61 0.52 -1.26 -4.55 118.95 116.46 2eoo s ARG 11 Ca 0.05 -2.62 -0.20 0.00 -0.52 0.00 0.00 55.73 52.43 2eoo s ARG 11 Cb -0.11 -2.33 -0.14 0.00 0.52 0.00 0.00 34.95 32.88 2eoo s ARG 11 CO 0.01 -1.33 1.35 -1.00 0.02 0.00 0.00 175.30 174.35 2eoo h PRO 12 N 5.63 0.35 -5.73 3.54 0.13 -1.95 -3.41 132.00 130.56 2eoo h PRO 12 Ca 0.19 -0.18 -0.32 0.00 -0.87 0.00 0.00 66.00 64.82 2eoo h PRO 12 Cb 0.85 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 31.95 2eoo h PRO 12 CO 0.52 0.73 0.86 0.71 -0.23 0.00 0.00 178.00 180.59 2eoo s TYR 13 N -4.32 1.64 -0.37 1.56 2.02 -1.25 -4.91 117.35 111.73 2eoo s TYR 13 Ca -0.14 0.89 -0.01 0.00 -0.37 0.00 0.00 57.07 57.45 2eoo s TYR 13 Cb 0.05 -3.95 0.10 0.00 -0.40 0.00 0.00 41.96 37.75 2eoo s TYR 13 CO 0.75 -1.91 0.12 0.20 -1.57 0.00 0.00 175.55 173.14 2eoo s GLY 14 N 8.64 1.94 0.49 0.71 0.00 -1.26 -1.17 107.32 116.67 2eoo s GLY 14 Ca 0.74 -2.41 -0.22 0.00 0.00 0.00 0.00 44.72 42.82 2eoo s GLY 14 CO 0.07 0.95 1.11 0.00 0.00 0.00 0.00 173.10 175.23 2eoo n ASN 16 N -0.15 2.15 -0.32 0.00 3.02 -1.26 -2.83 115.26 115.87 2eoo n ASN 16 Ca 0.10 -0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.54 2eoo n ASN 16 Cb 0.42 -0.24 0.05 0.00 -0.61 0.00 0.00 39.78 39.40 2eoo n ASN 16 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2eoo n GLU 17 N -3.10 -0.18 -0.03 3.52 -0.58 -1.26 -3.43 120.64 115.58 2eoo n GLU 17 Ca -0.38 1.28 -0.04 0.00 -0.42 0.00 0.00 57.16 57.60 2eoo n GLU 17 Cb 0.93 -1.91 -0.03 0.00 -0.57 0.00 0.00 31.44 29.87 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 3.20 0.92 3.79 0.00 0.00 -1.15 -5.12 105.19 106.84 2eoo n GLY 19 Ca -0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.68 2eoo n GLY 19 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2eoo s LYS 20 N 0.15 2.85 0.30 1.61 2.47 -1.13 -4.88 119.74 121.12 2eoo s LYS 20 Ca 0.00 -0.98 0.06 0.00 -1.56 0.00 0.00 55.97 53.50 2eoo s LYS 20 Cb 0.00 -2.58 -0.06 0.00 -1.46 0.00 0.00 37.83 33.73 2eoo s LYS 20 CO 0.00 0.45 -0.04 -0.80 0.16 0.00 0.00 175.35 175.12 2eoo s ASN 21 N -3.40 2.89 0.23 1.43 0.02 -1.26 0.21 114.94 115.05 2eoo s ASN 21 Ca 0.31 -1.24 -0.22 0.00 -1.02 0.00 0.00 52.86 50.70 2eoo s ASN 21 Cb -0.09 -0.19 0.04 0.00 0.02 0.00 0.00 41.25 41.03 2eoo s ASN 21 CO 0.24 -0.38 0.76 -0.36 0.02 0.00 0.00 177.10 177.38 2eoo s PHE 22 N -2.99 -0.22 -0.48 2.20 0.08 -0.32 -4.95 117.98 111.30 2eoo s PHE 22 Ca 0.31 -0.17 0.12 0.00 0.12 0.00 0.00 56.93 57.31 2eoo s PHE 22 Cb 0.05 0.67 0.33 0.00 -0.57 0.00 0.00 43.02 43.50 2eoo s PHE 22 CO 0.13 -1.09 1.26 0.41 -0.10 0.00 0.00 175.22 175.83 2eoo n GLY 23 N -0.45 3.40 3.15 4.36 0.00 -1.26 -3.68 105.19 110.71 2eoo n GLY 23 Ca -0.06 -0.60 -0.08 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.75 0.73 0.02 1.61 0.52 -1.26 -5.00 118.95 113.82 2eoo s ARG 24 Ca 0.26 -1.10 -0.20 0.00 -0.52 0.00 0.00 55.73 54.17 2eoo s ARG 24 Cb 0.19 0.27 -0.18 0.00 0.52 0.00 0.00 34.95 35.75 2eoo s ARG 24 CO 0.10 -0.19 1.22 1.25 0.02 0.00 0.00 175.30 177.70 2eoo h HIS 25 N 2.95 0.51 -0.08 -0.53 -0.00 -2.00 -3.28 115.15 112.73 2eoo h HIS 25 Ca -0.34 -0.21 -0.01 0.00 -0.00 0.00 0.00 60.37 59.81 2eoo h HIS 25 Cb 1.17 -0.08 -0.00 0.00 -0.00 0.00 0.00 27.41 28.49 2eoo h HIS 25 CO 0.48 0.94 0.01 0.77 -0.00 0.00 0.00 177.93 180.12 2eoo h SER 26 N -0.07 0.13 -0.99 3.26 0.02 -2.00 -2.97 113.55 110.92 2eoo h SER 26 Ca -0.01 -0.29 0.36 0.00 -0.84 0.00 0.00 61.79 61.01 2eoo h SER 26 Cb 0.96 -0.03 -0.18 0.00 0.14 0.00 0.00 62.40 63.29 2eoo h SER 26 CO 0.07 0.38 0.37 0.45 -1.14 0.00 0.00 176.83 176.96 2eoo h HIS 27 N -0.13 0.54 0.11 3.45 3.86 -1.98 0.30 115.15 121.30 2eoo h HIS 27 Ca 0.02 0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.28 2eoo h HIS 27 Cb 0.31 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 28.72 2eoo h HIS 27 CO 0.03 -0.43 -0.05 1.25 0.86 0.00 0.00 177.93 179.58 2eoo h LEU 28 N 0.03 -0.13 -0.04 2.43 5.85 -1.58 -2.59 115.31 119.29 2eoo h LEU 28 Ca 0.75 -0.35 0.02 0.00 0.84 0.00 0.00 57.88 59.14 2eoo h LEU 28 Cb 1.85 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 42.86 2eoo h LEU 28 CO -0.80 0.30 -0.42 0.40 -0.34 0.00 0.00 178.44 177.58 2eoo h ILE 29 N -0.59 0.00 -0.90 4.05 1.08 -0.32 0.87 117.51 121.70 2eoo h ILE 29 Ca -0.02 0.00 0.20 0.00 -0.39 0.00 0.00 64.86 64.65 2eoo h ILE 29 Cb 0.47 0.00 -0.11 0.00 -3.07 0.00 0.00 36.82 34.10 2eoo h ILE 29 CO 0.03 0.00 0.44 -0.33 -0.69 0.00 0.00 178.15 177.60 2eoo h GLU 30 N -0.50 0.50 -0.03 2.37 4.39 -1.27 -0.62 114.58 119.42 2eoo h GLU 30 Ca 0.01 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.68 2eoo h GLU 30 Cb 0.55 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.09 2eoo h GLU 30 CO -0.30 0.33 0.02 1.25 -1.16 0.00 0.00 179.01 179.15 2eoo h HIS 31 N 0.51 0.04 -0.47 4.33 -0.00 -0.82 -2.03 115.15 116.71 2eoo h HIS 31 Ca 0.54 0.00 0.14 0.00 -0.00 0.00 0.00 60.37 61.05 2eoo h HIS 31 Cb 0.94 -0.01 -0.02 0.00 -0.00 0.00 0.00 27.41 28.32 2eoo h HIS 31 CO -0.10 0.03 0.35 -0.07 -0.00 0.00 0.00 177.93 178.14 2eoo h LEU 32 N 0.03 0.00 -0.95 0.26 3.38 0.69 -1.88 115.31 116.84 2eoo h LEU 32 Ca 0.01 0.00 0.29 0.00 0.09 0.00 0.00 57.88 58.27 2eoo h LEU 32 Cb 0.00 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.60 2eoo h LEU 32 CO -0.00 0.00 0.36 0.11 0.09 0.00 0.00 178.44 179.00 2eoo h LYS 33 N 0.00 0.19 0.34 1.13 1.79 -0.77 -1.50 116.57 117.75 2eoo h LYS 33 Ca 0.22 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.67 2eoo h LYS 33 Cb 0.92 -0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 31.53 2eoo h LYS 33 CO -0.00 0.13 -0.20 0.00 -1.08 0.00 0.00 179.45 178.29 2eoo h ARG 34 N 0.20 -0.49 -0.81 3.15 3.08 -1.48 -0.21 114.38 117.82 2eoo h ARG 34 Ca 0.66 0.03 0.10 0.00 0.07 0.00 0.00 59.98 60.84 2eoo h ARG 34 Cb 1.47 0.11 -0.12 0.00 0.08 0.00 0.00 29.97 31.51 2eoo h ARG 34 CO -0.69 -0.32 -0.51 0.45 -1.07 0.00 0.00 179.97 177.83 2eoo h HIS 35 N -0.50 -1.56 -0.26 3.04 3.86 -1.47 -0.02 115.15 118.23 2eoo h HIS 35 Ca -0.05 0.11 0.06 0.00 -1.16 0.00 0.00 60.37 59.34 2eoo h HIS 35 Cb 0.40 0.79 -0.07 0.00 1.06 0.00 0.00 27.41 29.60 2eoo h HIS 35 CO 0.03 -0.41 -0.23 0.35 0.86 0.00 0.00 177.93 178.53 2eoo h PHE 36 N -0.11 -0.61 -2.16 2.45 3.57 -1.34 -3.37 116.94 115.37 2eoo h PHE 36 Ca 0.19 0.04 -0.54 0.00 3.53 0.00 0.00 57.97 61.19 2eoo h PHE 36 Cb 0.51 0.31 -0.02 0.00 2.79 0.00 0.00 35.95 39.55 2eoo h PHE 36 CO -0.88 -0.31 1.42 1.03 -2.23 0.00 0.00 178.31 177.34 2eoo s ARG 37 N -6.09 2.89 -0.83 1.11 1.81 -0.02 -4.89 118.95 112.92 2eoo s ARG 37 Ca -0.15 1.40 -0.25 0.00 -1.72 0.00 0.00 55.73 55.02 2eoo s ARG 37 Cb 0.12 -4.36 -0.02 0.00 -0.45 0.00 0.00 34.95 30.25 2eoo s ARG 37 CO 0.68 -2.38 1.79 -2.00 -0.68 0.00 0.00 175.30 172.71 2eoo s GLU 38 N 6.63 2.80 0.00 3.54 2.12 -1.26 -4.48 118.70 128.05 2eoo s GLU 38 Ca 0.86 -0.20 0.00 0.00 0.36 0.00 0.00 54.97 55.99 2eoo s GLU 38 Cb -0.22 -4.87 0.00 0.00 0.26 0.00 0.00 34.13 29.30 2eoo s GLU 38 CO 0.30 -2.92 0.00 1.17 -0.54 0.00 0.00 175.26 173.27 2eoo n LYS 39 N 8.99 0.00 -0.06 4.30 3.00 -1.26 -4.95 118.16 128.18 2eoo n LYS 39 Ca 0.31 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.58 2eoo n LYS 39 Cb 0.49 -0.45 -0.01 0.00 0.00 0.00 0.00 35.03 35.06 2eoo n LYS 39 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2eoo h SER 40 N 0.00 0.00 -3.43 3.14 0.87 -1.93 -3.46 113.55 108.75 2eoo h SER 40 Ca 0.00 0.00 -0.60 0.00 -1.23 0.00 0.00 61.79 59.96 2eoo h SER 40 Cb 0.41 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 62.27 2eoo h SER 40 CO 0.00 0.62 0.22 -0.55 -0.53 0.00 0.00 176.83 176.59 2eoo s SER 41 N -5.37 6.65 -0.04 6.23 0.15 -1.26 -5.02 113.70 115.04 2eoo s SER 41 Ca -0.12 0.80 -0.30 0.00 0.70 0.00 0.00 55.95 57.03 2eoo s SER 41 Cb 0.02 -2.36 0.11 0.00 -1.71 0.00 0.00 66.02 62.08 2eoo s SER 41 CO 0.17 -0.38 1.02 -0.83 1.20 0.00 0.00 173.24 174.42 2eoo s GLY 42 N 1.40 -0.38 1.20 9.45 0.00 -1.26 -4.82 107.32 112.90 2eoo s GLY 42 Ca 0.28 1.06 -0.19 0.00 0.00 0.00 0.00 44.72 45.87 2eoo s GLY 42 CO 0.09 0.34 1.11 2.56 0.00 0.00 0.00 173.10 177.19 2eoo s PRO 43 N -2.89 -1.20 -0.99 2.90 0.04 -1.26 -4.95 135.00 126.65 2eoo s PRO 43 Ca 0.08 -0.06 -0.17 0.00 0.04 0.00 0.00 61.00 60.89 2eoo s PRO 43 Cb -0.01 -1.60 0.15 0.00 0.04 0.00 0.00 34.50 33.08 2eoo s PRO 43 CO -0.06 -3.70 1.18 -1.12 0.04 0.00 0.00 177.00 173.34 2eoo s SER 44 N -3.89 6.75 -0.21 6.66 0.01 -1.26 -4.93 113.70 116.83 2eoo s SER 44 Ca 0.71 -2.32 -0.06 0.00 1.31 0.00 0.00 55.95 55.59 2eoo s SER 44 Cb -0.10 -2.39 0.11 0.00 0.21 0.00 0.00 66.02 63.85 2eoo s SER 44 CO 0.56 -0.96 0.42 -0.55 0.41 0.00 0.00 173.24 173.12 2eoo s SER 45 N 3.35 -0.18 0.00 2.44 0.15 -1.26 -5.38 113.70 112.81 2eoo s SER 45 Ca 0.34 0.81 0.11 0.00 0.70 0.00 0.00 55.95 57.91 2eoo s SER 45 Cb -0.05 1.34 0.09 0.00 -1.71 0.00 0.00 66.02 65.69 2eoo s SER 45 CO -0.07 -0.25 0.86 0.61 1.20 0.00 0.00 173.24 175.59