#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eom s SER 2 N 0.00 1.07 0.06 1.61 0.01 -1.26 -5.16 113.70 110.04 2eom s SER 2 Ca 0.00 -0.58 0.01 0.00 1.31 0.00 0.00 55.95 56.70 2eom s SER 2 Cb 0.00 0.02 -0.04 0.00 0.21 0.00 0.00 66.02 66.21 2eom s SER 2 CO 0.00 -0.18 0.13 -0.44 0.41 0.00 0.00 173.24 173.16 2eom s SER 3 N -1.66 5.85 0.43 2.44 0.01 -1.26 -4.89 113.70 114.62 2eom s SER 3 Ca -0.07 0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.30 2eom s SER 3 Cb -0.10 -1.68 0.00 0.00 0.21 0.00 0.00 66.02 64.46 2eom s SER 3 CO 0.01 0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.45 2eom n GLY 4 N 0.49 1.28 2.99 3.44 0.00 -1.26 -4.88 105.19 107.26 2eom n GLY 4 Ca -0.08 -0.70 -0.11 0.00 0.00 0.00 0.00 46.02 45.13 2eom n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2eom s SER 5 N -4.00 0.08 -0.28 1.61 0.15 -1.26 -5.16 113.70 104.84 2eom s SER 5 Ca 0.00 -0.20 -0.20 0.00 0.70 0.00 0.00 55.95 56.25 2eom s SER 5 Cb 0.00 0.13 0.11 0.00 -1.71 0.00 0.00 66.02 64.55 2eom s SER 5 CO 0.00 -0.21 0.89 -0.94 1.20 0.00 0.00 173.24 174.19 2eom s SER 6 N -0.87 -0.62 0.01 5.45 1.04 -1.26 -5.13 113.70 112.32 2eom s SER 6 Ca -0.10 1.08 -0.37 0.00 0.48 0.00 0.00 55.95 57.05 2eom s SER 6 Cb -0.06 1.18 -0.15 0.00 0.10 0.00 0.00 66.02 67.09 2eom s SER 6 CO -0.00 -0.18 1.53 0.61 0.98 0.00 0.00 173.24 176.18 2eom n GLY 7 N 3.17 0.79 2.89 7.32 0.00 -1.26 -4.97 105.19 113.14 2eom n GLY 7 Ca -0.16 0.76 -0.15 0.00 0.00 0.00 0.00 46.02 46.47 2eom n GLY 7 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2eom s HIS 8 N 1.60 -0.17 0.00 1.61 5.65 -1.26 -4.99 115.29 117.74 2eom s HIS 8 Ca 0.87 0.52 0.00 0.00 0.25 0.00 0.00 55.06 56.70 2eom s HIS 8 Cb -0.89 -0.15 0.00 0.00 -1.18 0.00 0.00 32.58 30.36 2eom s HIS 8 CO 0.49 -0.20 0.00 0.41 -0.65 0.00 0.00 174.74 174.79 2eom n GLY 9 N 4.59 0.32 3.60 1.59 0.00 -1.26 -5.06 105.19 108.96 2eom n GLY 9 Ca -0.19 -0.51 -0.39 0.00 0.00 0.00 0.00 46.02 44.93 2eom n GLY 9 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2eom s GLU 10 N -1.82 3.96 -0.30 1.61 2.02 -1.26 -5.03 118.70 117.88 2eom s GLU 10 Ca 0.00 -0.05 -0.07 0.00 0.02 0.00 0.00 54.97 54.86 2eom s GLU 10 Cb 0.00 -3.67 0.16 0.00 0.10 0.00 0.00 34.13 30.72 2eom s GLU 10 CO 0.00 -0.29 0.69 0.50 0.02 0.00 0.00 175.26 176.18 2eom s ARG 11 N 2.03 0.52 0.00 1.61 3.00 -1.26 -5.14 118.95 119.70 2eom s ARG 11 Ca 0.14 1.12 0.00 0.00 -1.00 0.00 0.00 55.73 55.98 2eom s ARG 11 Cb -0.16 0.65 0.00 0.00 0.00 0.00 0.00 34.95 35.44 2eom s ARG 11 CO 0.10 -0.36 0.00 0.41 0.00 0.00 0.00 175.30 175.45 2eom n GLY 12 N 5.39 -0.26 2.92 8.12 0.00 -1.26 -4.78 105.19 115.33 2eom n GLY 12 Ca -0.07 -0.77 -0.09 0.00 0.00 0.00 0.00 46.02 45.09 2eom n GLY 12 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2eom s HIS 13 N -4.00 -0.91 0.03 1.61 3.76 -0.77 -4.94 115.29 110.07 2eom s HIS 13 Ca 0.00 0.70 -0.16 0.00 -0.15 0.00 0.00 55.06 55.45 2eom s HIS 13 Cb 0.00 -0.02 -0.06 0.00 1.11 0.00 0.00 32.58 33.61 2eom s HIS 13 CO 0.00 -0.81 0.46 0.50 -0.85 0.00 0.00 174.74 174.04 2eom s ARG 14 N 2.56 3.99 0.39 1.40 3.52 -1.26 -2.16 118.95 127.38 2eom s ARG 14 Ca 0.12 0.50 -0.13 0.00 -0.13 0.00 0.00 55.73 56.09 2eom s ARG 14 Cb -0.14 -3.20 -0.08 0.00 -1.56 0.00 0.00 34.95 29.96 2eom s ARG 14 CO -0.21 0.66 0.79 0.00 -0.81 0.00 0.00 175.30 175.73 2eom n SER 16 N -0.94 0.95 0.11 0.00 2.88 -1.26 -2.89 113.62 112.47 2eom n SER 16 Ca 0.04 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.44 2eom n SER 16 Cb 0.54 0.94 -0.08 0.00 -0.75 0.00 0.00 64.21 64.86 2eom n SER 16 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 2eom h ASP 17 N 0.00 -0.17 0.00 -3.46 3.32 -2.00 -3.38 116.42 110.73 2eom h ASP 17 Ca -0.43 -0.02 -0.28 0.00 0.02 0.00 0.00 57.03 56.32 2eom h ASP 17 Cb 1.97 0.04 -0.05 0.00 0.22 0.00 0.00 39.33 41.52 2eom h ASP 17 CO 0.02 -0.09 -1.99 0.00 -1.72 0.00 0.00 179.24 175.46 2eom n GLY 19 N 2.22 1.18 2.39 0.00 0.00 -1.14 -5.07 105.19 104.77 2eom n GLY 19 Ca -0.33 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.55 2eom n GLY 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2eom n LYS 20 N -0.09 0.21 -4.01 1.61 5.02 -1.25 -4.79 118.16 114.85 2eom n LYS 20 Ca 0.00 -1.69 -0.09 0.00 -2.02 0.00 0.00 58.31 54.51 2eom n LYS 20 Cb 0.00 -0.39 -0.11 0.00 -0.02 0.00 0.00 35.03 34.51 2eom n LYS 20 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 2eom s PHE 21 N -1.77 0.37 0.29 2.13 5.36 -1.26 -1.32 117.98 121.78 2eom s PHE 21 Ca 0.41 -0.63 -0.06 0.00 -0.96 0.00 0.00 56.93 55.68 2eom s PHE 21 Cb -0.02 -0.26 -0.01 0.00 -0.34 0.00 0.00 43.02 42.39 2eom s PHE 21 CO 0.27 -0.21 0.43 -0.06 -1.46 0.00 0.00 175.22 174.19 2eom s PHE 22 N -1.93 0.80 0.00 10.12 0.40 -0.92 -4.97 117.98 121.49 2eom s PHE 22 Ca -0.11 -1.08 0.00 0.00 -0.60 0.00 0.00 56.93 55.14 2eom s PHE 22 Cb -0.07 -0.04 0.00 0.00 0.51 0.00 0.00 43.02 43.43 2eom s PHE 22 CO -0.02 -1.02 0.00 1.28 0.70 0.00 0.00 175.22 176.16 2eom n LEU 23 N -0.45 1.86 -4.56 -0.37 7.99 -1.26 -1.84 117.00 118.36 2eom n LEU 23 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 56.01 55.60 2eom n LEU 23 Cb 0.62 0.00 -0.09 0.00 -0.11 0.00 0.00 43.42 43.84 2eom n LEU 23 CO 0.27 0.31 0.02 -1.10 -1.51 0.00 0.00 177.39 175.38 2eom s GLN 24 N -1.78 3.70 0.13 3.23 -1.52 -1.26 -4.73 119.66 117.43 2eom s GLN 24 Ca 0.00 -0.31 -0.25 0.00 -1.95 0.00 0.00 55.36 52.85 2eom s GLN 24 Cb 0.00 -3.76 -0.06 0.00 -0.22 0.00 0.00 33.01 28.98 2eom s GLN 24 CO 0.00 -0.44 1.34 0.00 -0.25 0.00 0.00 175.29 175.94 2eom n ALA 25 N 5.34 -0.52 -0.32 6.09 0.00 -1.26 -0.50 120.51 129.34 2eom n ALA 25 Ca -0.09 0.68 -0.07 0.00 0.00 0.00 0.00 53.44 53.96 2eom n ALA 25 Cb 0.50 -0.06 -0.03 0.00 0.00 0.00 0.00 19.45 19.86 2eom n ALA 25 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2eom h SER 26 N 0.00 -1.65 -0.75 0.00 4.64 -1.99 0.97 113.55 114.77 2eom h SER 26 Ca 0.13 0.29 0.15 0.00 -0.47 0.00 0.00 61.79 61.88 2eom h SER 26 Cb 0.33 0.78 -0.05 0.00 -0.31 0.00 0.00 62.40 63.15 2eom h SER 26 CO -0.76 -0.29 0.50 0.78 -0.87 0.00 0.00 176.83 176.19 2eom h ASN 27 N -0.09 0.40 0.55 4.97 4.21 -1.21 0.14 115.58 124.54 2eom h ASN 27 Ca 0.23 0.02 -0.16 0.00 1.21 0.00 0.00 56.30 57.60 2eom h ASN 27 Cb 0.54 -0.06 -0.02 0.00 -1.12 0.00 0.00 38.32 37.66 2eom h ASN 27 CO -0.85 0.21 -0.71 0.15 -1.29 0.00 0.00 177.43 174.93 2eom h PHE 28 N 0.42 0.19 -0.02 1.19 3.57 0.21 -3.10 116.94 119.40 2eom h PHE 28 Ca 0.37 -0.08 -0.03 0.00 3.53 0.00 0.00 57.97 61.76 2eom h PHE 28 Cb 0.83 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.55 2eom h PHE 28 CO -0.00 0.80 -0.09 0.82 -2.23 0.00 0.00 178.31 177.61 2eom h ILE 29 N 0.09 1.49 0.00 1.41 2.04 0.20 -2.79 117.51 119.94 2eom h ILE 29 Ca -0.02 -1.57 0.00 0.00 1.00 0.00 0.00 64.86 64.27 2eom h ILE 29 Cb 1.26 2.47 0.00 0.00 -0.74 0.00 0.00 36.82 39.82 2eom h ILE 29 CO 0.10 0.42 0.00 0.00 0.00 0.00 0.00 178.15 178.68 2eom n GLN 30 N -4.67 0.16 -0.10 2.37 6.02 -0.21 -1.81 117.38 119.14 2eom n GLN 30 Ca -0.09 0.14 -0.15 0.00 -0.01 0.00 0.00 57.00 56.90 2eom n GLN 30 Cb 0.37 -1.50 -0.14 0.00 1.02 0.00 0.00 30.24 30.00 2eom n GLN 30 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63 2eom n HIS 31 N -1.19 0.23 0.45 1.08 -0.00 -1.14 -4.19 115.22 110.46 2eom n HIS 31 Ca 0.04 0.06 0.07 0.00 0.46 0.00 0.00 57.72 58.36 2eom n HIS 31 Cb 0.05 -1.03 0.32 0.00 -0.12 0.00 0.00 29.99 29.21 2eom n HIS 31 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 2eom n ARG 32 N -3.10 0.03 -0.01 1.57 5.12 -0.75 -2.68 116.66 116.84 2eom n ARG 32 Ca -0.38 0.29 -0.17 0.00 -1.93 0.00 0.00 57.85 55.66 2eom n ARG 32 Cb 1.06 -1.55 -0.10 0.00 -1.16 0.00 0.00 32.46 30.71 2eom n ARG 32 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2eom h ARG 33 N 0.00 0.51 -1.21 5.56 3.08 -1.71 -3.22 114.38 117.38 2eom h ARG 33 Ca 0.00 -0.48 0.38 0.00 0.07 0.00 0.00 59.98 59.95 2eom h ARG 33 Cb 0.25 0.12 -0.12 0.00 0.08 0.00 0.00 29.97 30.30 2eom h ARG 33 CO 0.00 1.12 0.77 -0.84 -1.07 0.00 0.00 179.97 179.95 2eom h ILE 34 N 0.08 0.24 0.00 2.04 3.07 -1.73 1.66 117.51 122.86 2eom h ILE 34 Ca -0.06 -0.06 -0.14 0.00 1.55 0.00 0.00 64.86 66.15 2eom h ILE 34 Cb 1.30 0.04 -0.02 0.00 -0.27 0.00 0.00 36.82 37.87 2eom h ILE 34 CO 0.13 0.03 -0.66 0.45 -1.05 0.00 0.00 178.15 177.05 2eom h HIS 35 N 0.18 0.00 -2.68 0.16 3.86 -1.73 -3.43 115.15 111.51 2eom h HIS 35 Ca 0.76 0.00 -0.58 0.00 -1.16 0.00 0.00 60.37 59.39 2eom h HIS 35 Cb 2.22 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 30.66 2eom h HIS 35 CO -0.01 0.66 1.27 0.95 0.86 0.00 0.00 177.93 181.66 2eom s THR 36 N -3.18 3.49 0.00 2.45 -4.23 0.56 -4.43 115.64 110.30 2eom s THR 36 Ca 0.01 0.50 0.00 0.00 -1.18 0.00 0.00 61.69 61.02 2eom s THR 36 Cb 0.10 -3.64 0.00 0.00 1.34 0.00 0.00 72.50 70.30 2eom s THR 36 CO 0.76 -0.40 0.00 0.61 -0.54 0.00 0.00 174.62 175.05 2eom n GLY 37 N 5.37 -0.40 3.79 3.99 0.00 -1.26 -4.99 105.19 111.69 2eom n GLY 37 Ca 0.23 -0.14 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 2eom n GLY 37 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2eom s GLU 38 N 0.00 3.47 -0.12 1.61 2.12 -1.26 -5.09 118.70 119.44 2eom s GLU 38 Ca 0.00 -0.23 -0.20 0.00 0.36 0.00 0.00 54.97 54.90 2eom s GLU 38 Cb 0.00 -3.12 -0.04 0.00 0.26 0.00 0.00 34.13 31.23 2eom s GLU 38 CO 0.00 0.65 0.57 0.15 -0.54 0.00 0.00 175.26 176.09 2eom s LYS 39 N -0.69 4.35 0.12 4.30 1.02 -1.26 -5.07 119.74 122.51 2eom s LYS 39 Ca 0.12 0.61 -0.02 0.00 0.02 0.00 0.00 55.97 56.70 2eom s LYS 39 Cb -0.12 -3.46 0.03 0.00 -0.52 0.00 0.00 37.83 33.76 2eom s LYS 39 CO 0.03 0.06 0.11 -0.35 -0.92 0.00 0.00 175.35 174.27 2eom n PRO 40 N 3.93 -1.23 0.23 -1.68 -0.04 -1.26 -4.95 135.00 130.00 2eom n PRO 40 Ca -0.04 -0.17 -0.17 0.00 -0.04 0.00 0.00 63.50 63.08 2eom n PRO 40 Cb 0.51 -0.16 -0.09 0.00 -0.04 0.00 0.00 33.50 33.73 2eom n PRO 40 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2eom h SER 41 N -1.19 -1.20 -1.92 3.54 0.02 -2.09 -3.39 113.55 107.32 2eom h SER 41 Ca -0.04 0.11 -0.46 0.00 -0.84 0.00 0.00 61.79 60.55 2eom h SER 41 Cb 0.12 0.41 -0.32 0.00 0.14 0.00 0.00 62.40 62.76 2eom h SER 41 CO 0.03 -0.57 -0.85 0.61 -1.14 0.00 0.00 176.83 174.90 2eom n GLY 42 N -1.51 1.42 3.77 -3.77 0.00 -1.26 -5.14 105.19 98.70 2eom n GLY 42 Ca -0.10 -0.82 -0.33 0.00 0.00 0.00 0.00 46.02 44.76 2eom n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2eom s PRO 43 N 0.20 2.78 -0.49 1.61 0.04 -1.26 -5.03 135.00 132.84 2eom s PRO 43 Ca 0.32 1.38 0.04 0.00 0.04 0.00 0.00 61.00 62.78 2eom s PRO 43 Cb 0.04 -1.95 0.13 0.00 0.04 0.00 0.00 34.50 32.76 2eom s PRO 43 CO -0.16 -1.26 0.24 -1.12 0.04 0.00 0.00 177.00 174.74 2eom s SER 44 N -2.62 4.24 0.02 6.66 0.01 -1.26 -4.90 113.70 115.85 2eom s SER 44 Ca 0.67 -2.89 -0.05 0.00 1.31 0.00 0.00 55.95 54.99 2eom s SER 44 Cb -0.20 -1.55 -0.02 0.00 0.21 0.00 0.00 66.02 64.47 2eom s SER 44 CO 0.42 -0.25 -0.09 -0.24 0.41 0.00 0.00 173.24 173.49 2eom n SER 45 N 3.26 1.28 0.00 2.44 2.88 -1.26 -5.28 113.62 116.94 2eom n SER 45 Ca 0.05 0.18 0.00 0.00 -1.33 0.00 0.00 58.87 57.78 2eom n SER 45 Cb 0.33 -0.44 0.02 0.00 -0.75 0.00 0.00 64.21 63.37 2eom n SER 45 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42