#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y1b n PRO 2 N 0.00 1.55 -2.75 1.97 -0.04 -1.26 -4.91 135.00 129.56 1y1b n PRO 2 Ca 0.00 -0.89 -0.42 0.00 -0.04 0.00 0.00 63.50 62.15 1y1b n PRO 2 Cb 0.00 -1.47 -0.03 0.00 -0.04 0.00 0.00 33.50 31.96 1y1b n PRO 2 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1y1b s ASP 3 N 1.26 7.09 0.12 3.54 2.15 -1.26 -2.41 116.67 127.15 1y1b s ASP 3 Ca 0.26 1.35 -0.24 0.00 0.43 0.00 0.00 52.55 54.35 1y1b s ASP 3 Cb 0.17 -2.51 -0.05 0.00 -0.30 0.00 0.00 42.92 40.22 1y1b s ASP 3 CO -0.02 -0.50 1.40 0.00 -0.17 0.00 0.00 175.17 175.87 1y1b n PRO 5 N -4.75 1.91 -2.70 0.00 -0.04 -1.26 -4.98 135.00 123.18 1y1b n PRO 5 Ca 0.02 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.19 1y1b n PRO 5 Cb 0.20 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.64 1y1b n PRO 5 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1y1b n LEU 6 N 0.00 4.89 -0.64 1.53 0.00 -1.26 -5.01 117.00 116.52 1y1b n LEU 6 Ca 0.00 -5.45 0.08 0.00 0.00 0.00 0.00 56.01 50.64 1y1b n LEU 6 Cb 0.00 -0.58 -0.04 0.00 0.00 0.00 0.00 43.42 42.80 1y1b n LEU 6 CO 0.00 2.27 -0.29 -0.38 0.00 0.00 0.00 177.39 178.99 1y1b n ILE 7 N -0.34 -0.42 -3.68 1.96 -0.00 -1.26 -5.08 119.36 110.54 1y1b n ILE 7 Ca 0.36 0.42 0.00 0.00 -0.00 0.00 0.00 62.75 63.54 1y1b n ILE 7 Cb 0.48 -0.64 0.00 0.00 -0.00 0.00 0.00 39.64 39.48 1y1b n ILE 7 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1y1b s THR 9 N -1.47 3.20 -0.81 0.00 -1.32 -1.26 -4.93 115.64 109.05 1y1b s THR 9 Ca 0.00 0.48 0.09 0.00 -1.21 0.00 0.00 61.69 61.06 1y1b s THR 9 Cb 0.00 -2.98 0.47 0.00 -1.51 0.00 0.00 72.50 68.48 1y1b s THR 9 CO 0.00 -0.41 1.26 0.23 -2.21 0.00 0.00 174.62 173.48 1y1b n MET 10 N -2.92 3.09 -0.84 7.08 2.81 -1.26 -4.66 117.12 120.42 1y1b n MET 10 Ca 0.10 -1.82 -0.25 0.00 -1.81 0.00 0.00 57.70 53.92 1y1b n MET 10 Cb 0.52 -1.85 -0.02 0.00 -0.71 0.00 0.00 33.22 31.16 1y1b n MET 10 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 1y1b n GLN 11 N 0.45 2.24 0.00 0.03 7.27 -1.26 -4.84 117.38 121.26 1y1b n GLN 11 Ca 0.16 -1.58 0.00 0.00 0.07 0.00 0.00 57.00 55.65 1y1b n GLN 11 Cb 0.74 -2.53 0.00 0.00 2.41 0.00 0.00 30.24 30.86 1y1b n GLN 11 CO 0.00 0.00 0.00 0.98 0.07 0.00 0.00 177.06 178.11 1y1b n TYR 12 N 4.35 0.00 -3.04 3.69 9.36 -1.26 -4.81 117.16 125.45 1y1b n TYR 12 Ca 0.49 0.00 -0.26 0.00 3.32 0.00 0.00 57.90 61.45 1y1b n TYR 12 Cb 0.16 0.00 -0.04 0.00 -0.63 0.00 0.00 39.34 38.83 1y1b n TYR 12 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1y1b n ASP 13 N 0.00 3.73 -4.40 2.98 -0.08 -0.96 -5.04 116.55 112.78 1y1b n ASP 13 Ca 0.00 -3.53 -0.53 0.00 -1.51 0.00 0.00 54.79 49.22 1y1b n ASP 13 Cb 0.00 -0.58 -0.08 0.00 2.34 0.00 0.00 41.12 42.79 1y1b n ASP 13 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1y1b n PRO 14 N 0.01 0.78 -4.60 -0.67 -0.04 -1.23 -3.55 135.00 125.69 1y1b n PRO 14 Ca 0.30 0.21 -0.31 0.00 -0.04 0.00 0.00 63.50 63.66 1y1b n PRO 14 Cb 0.44 -2.21 -0.17 0.00 -0.04 0.00 0.00 33.50 31.52 1y1b n PRO 14 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1y1b s VAL 15 N 7.07 1.81 -0.25 0.52 -7.23 -0.55 0.19 120.40 121.96 1y1b s VAL 15 Ca 1.13 -0.83 -0.29 0.00 -1.81 0.00 0.00 61.98 60.18 1y1b s VAL 15 Cb -1.02 -1.61 0.01 0.00 0.56 0.00 0.00 36.38 34.31 1y1b s VAL 15 CO 0.53 0.50 1.13 0.00 -0.31 0.00 0.00 175.10 176.96 1y1b s GLY 17 N 1.69 2.21 -0.81 0.00 0.00 0.83 -1.66 107.32 109.60 1y1b s GLY 17 Ca 0.48 -0.53 -0.22 0.00 0.00 0.00 0.00 44.72 44.45 1y1b s GLY 17 CO 0.12 -0.04 2.38 1.44 0.00 0.00 0.00 173.10 177.01 1y1b n SER 18 N 2.50 0.96 0.00 1.64 7.64 0.33 -1.94 113.62 124.75 1y1b n SER 18 Ca -0.17 -0.92 0.00 0.00 1.01 0.00 0.00 58.87 58.79 1y1b n SER 18 Cb 0.53 -1.30 0.00 0.00 -1.01 0.00 0.00 64.21 62.43 1y1b n SER 18 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1y1b n ASP 19 N 14.24 0.00 0.00 6.43 9.92 -1.26 -2.97 116.55 142.91 1y1b n ASP 19 Ca 0.52 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.78 1y1b n ASP 19 Cb 0.34 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.82 1y1b n ASP 19 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1y1b n GLY 20 N 0.00 1.87 2.97 0.44 0.00 -0.82 -5.15 105.19 104.51 1y1b n GLY 20 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1y1b n GLY 20 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y1b s ILE 21 N -2.00 0.03 -0.56 -0.61 -1.09 -1.21 -5.02 121.20 110.74 1y1b s ILE 21 Ca 0.00 -0.23 -0.14 0.00 -2.23 0.00 0.00 60.65 58.04 1y1b s ILE 21 Cb 0.00 -0.17 0.14 0.00 -1.58 0.00 0.00 42.46 40.84 1y1b s ILE 21 CO 0.00 -0.13 0.50 -0.89 -1.23 0.00 0.00 174.94 173.19 1y1b s THR 22 N -0.38 5.06 0.60 2.92 2.01 -1.26 -0.12 115.64 124.47 1y1b s THR 22 Ca -0.04 -1.67 -0.12 0.00 0.31 0.00 0.00 61.69 60.17 1y1b s THR 22 Cb -0.03 -4.24 -0.05 0.00 0.01 0.00 0.00 72.50 68.19 1y1b s THR 22 CO 0.00 -0.87 1.02 -0.31 -0.69 0.00 0.00 174.62 173.77 1y1b s TYR 23 N 1.39 3.60 -0.90 4.92 2.02 -0.42 -4.83 117.35 123.13 1y1b s TYR 23 Ca 0.05 1.32 0.12 0.00 -0.37 0.00 0.00 57.07 58.19 1y1b s TYR 23 Cb -0.27 -2.73 0.54 0.00 -0.40 0.00 0.00 41.96 39.10 1y1b s TYR 23 CO 0.01 -0.64 1.39 0.41 -1.57 0.00 0.00 175.55 175.15 1y1b n GLY 24 N -2.58 -0.91 0.00 0.71 0.00 -1.26 -1.48 105.19 99.67 1y1b n GLY 24 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1y1b n GLY 24 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1y1b n ASN 25 N -1.63 0.00 0.01 1.61 0.23 -1.23 -2.26 115.26 112.00 1y1b n ASN 25 Ca 0.02 0.00 0.22 0.00 -0.53 0.00 0.00 54.58 54.29 1y1b n ASN 25 Cb 0.13 0.00 0.63 0.00 -2.08 0.00 0.00 39.78 38.46 1y1b n ASN 25 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1y1b h ALA 26 N 0.00 2.34 -0.00 -2.53 0.00 -1.88 0.60 119.26 117.79 1y1b h ALA 26 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1y1b h ALA 26 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1y1b h ALA 26 CO 0.00 -1.01 -0.05 0.00 0.00 0.00 0.00 179.25 178.19 1y1b h MET 28 N -0.68 0.00 0.62 0.00 2.86 -0.28 -2.79 114.93 114.66 1y1b h MET 28 Ca -0.01 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.60 1y1b h MET 28 Cb 0.79 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.45 1y1b h MET 28 CO 0.01 0.01 -0.30 1.25 1.06 0.00 0.00 176.91 178.95 1y1b h LEU 29 N 0.00 -0.70 -2.00 1.22 6.46 -0.59 -1.43 115.31 118.26 1y1b h LEU 29 Ca -0.00 -0.00 0.17 0.00 -0.12 0.00 0.00 57.88 57.92 1y1b h LEU 29 Cb 0.08 0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.17 1y1b h LEU 29 CO 0.00 -0.32 0.43 0.17 -0.62 0.00 0.00 178.44 178.11 1y1b h LEU 30 N -1.17 0.00 -1.34 2.25 -0.00 -1.34 2.33 115.31 116.04 1y1b h LEU 30 Ca -0.08 0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 57.73 1y1b h LEU 30 Cb 0.66 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.31 1y1b h LEU 30 CO 0.14 0.00 -0.33 1.23 -0.00 0.00 0.00 178.44 179.48 1y1b h GLY 31 N 0.00 0.00 0.02 0.17 0.00 -1.29 -0.29 103.07 101.68 1y1b h GLY 31 Ca 0.27 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.60 1y1b h GLY 31 CO -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 176.54 176.53 1y1b h ALA 32 N 1.67 -0.01 -0.89 3.60 0.00 0.48 -2.57 119.26 121.53 1y1b h ALA 32 Ca -0.00 -0.36 0.18 0.00 0.00 0.00 0.00 54.91 54.73 1y1b h ALA 32 Cb 0.58 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.31 1y1b h ALA 32 CO 0.04 -0.02 0.58 1.03 0.00 0.00 0.00 179.25 180.89 1y1b h SER 33 N -0.98 0.51 0.30 0.00 0.87 -0.03 0.12 113.55 114.33 1y1b h SER 33 Ca -0.00 0.04 -0.19 0.00 -1.23 0.00 0.00 61.79 60.41 1y1b h SER 33 Cb 0.72 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.62 1y1b h SER 33 CO 0.00 0.22 -0.79 0.00 -0.53 0.00 0.00 176.83 175.74 1y1b h ARG 35 N 0.25 0.00 0.00 0.00 0.11 -0.43 -3.41 114.38 110.90 1y1b h ARG 35 Ca -0.04 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.04 1y1b h ARG 35 Cb 1.38 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.46 1y1b h ARG 35 CO 0.13 0.52 0.00 0.45 0.10 0.00 0.00 179.97 181.17 1y1b n SER 36 N -3.59 0.00 0.00 0.08 2.88 0.02 -5.00 113.62 108.01 1y1b n SER 36 Ca -0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1y1b n SER 36 Cb 0.60 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.06 1y1b n SER 36 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1y1b n ASP 37 N 0.00 0.00 -4.90 -3.46 2.03 -1.17 -5.09 116.55 103.96 1y1b n ASP 37 Ca 0.00 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 54.99 1y1b n ASP 37 Cb 0.00 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.35 1y1b n ASP 37 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1y1b s THR 38 N 0.00 5.35 -1.15 5.18 -4.23 -1.26 -5.01 115.64 114.52 1y1b s THR 38 Ca 0.00 -0.29 -0.24 0.00 -1.18 0.00 0.00 61.69 59.98 1y1b s THR 38 Cb 0.00 -3.54 -0.12 0.00 1.34 0.00 0.00 72.50 70.17 1y1b s THR 38 CO 0.00 0.24 1.97 -2.65 -0.54 0.00 0.00 174.62 173.64 1y1b n PRO 39 N 0.67 1.27 -1.24 3.99 -0.02 -1.26 -4.67 135.00 133.74 1y1b n PRO 39 Ca -0.08 -2.29 -0.38 0.00 -2.02 0.00 0.00 63.50 58.73 1y1b n PRO 39 Cb 0.52 -3.75 0.03 0.00 -0.02 0.00 0.00 33.50 30.28 1y1b n PRO 39 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1y1b n ILE 40 N 8.04 0.78 -4.51 4.25 5.41 -1.26 -5.00 119.36 127.06 1y1b n ILE 40 Ca 0.44 -0.47 -0.23 0.00 1.00 0.00 0.00 62.75 63.49 1y1b n ILE 40 Cb 0.46 -0.29 -0.05 0.00 -0.71 0.00 0.00 39.64 39.05 1y1b n ILE 40 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1y1b n GLU 41 N 0.86 0.94 -4.60 0.38 1.02 -1.16 -4.93 120.64 113.16 1y1b n GLU 41 Ca 0.07 -2.76 -0.30 0.00 -0.02 0.00 0.00 57.16 54.16 1y1b n GLU 41 Cb 0.49 0.97 -0.13 0.00 -0.02 0.00 0.00 31.44 32.75 1y1b n GLU 41 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1y1b s LEU 42 N 0.00 2.37 0.00 -4.62 1.98 -1.26 0.12 118.68 117.27 1y1b s LEU 42 Ca 0.05 -0.61 0.00 0.00 -2.89 0.00 0.00 54.13 50.68 1y1b s LEU 42 Cb 0.00 -1.34 0.00 0.00 0.66 0.00 0.00 46.19 45.51 1y1b s LEU 42 CO 0.04 0.22 0.00 0.52 -1.89 0.00 0.00 176.35 175.23 1y1b n VAL 43 N 1.29 0.00 -3.81 1.68 0.31 -0.66 -4.52 118.33 112.62 1y1b n VAL 43 Ca -0.17 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.03 1y1b n VAL 43 Cb 0.52 -0.36 -0.14 0.00 -0.91 0.00 0.00 33.84 32.96 1y1b n VAL 43 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 1y1b s HIS 44 N -1.52 -0.09 -1.32 3.52 3.76 -1.13 -5.03 115.29 113.48 1y1b s HIS 44 Ca 0.00 0.27 -0.08 0.00 -0.15 0.00 0.00 55.06 55.10 1y1b s HIS 44 Cb 0.00 -0.04 0.14 0.00 1.11 0.00 0.00 32.58 33.79 1y1b s HIS 44 CO 0.00 -0.08 2.10 0.36 -0.85 0.00 0.00 174.74 176.27 1y1b n LYS 45 N 3.51 3.92 -1.67 1.40 2.85 -1.26 0.25 118.16 127.17 1y1b n LYS 45 Ca -0.18 -3.42 0.00 0.00 -1.05 0.00 0.00 58.31 53.66 1y1b n LYS 45 Cb 0.56 -2.83 0.00 0.00 -0.65 0.00 0.00 35.03 32.11 1y1b n LYS 45 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1y1b n GLY 46 N 2.51 -0.66 2.30 2.58 0.00 0.50 -4.78 105.19 107.64 1y1b n GLY 46 Ca 0.49 -0.48 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1y1b n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y1b n ARG 47 N 0.00 3.00 -0.18 1.61 1.74 -1.26 -3.02 116.66 118.55 1y1b n ARG 47 Ca 0.00 -2.13 0.00 0.00 -0.77 0.00 0.00 57.85 54.95 1y1b n ARG 47 Cb 0.00 -2.33 0.00 0.00 -1.02 0.00 0.00 32.46 29.11 1y1b n ARG 47 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11