#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 -2.40 -3.82 1.64 -0.04 -1.26 -5.09 135.00 124.02 1y1b n PRO 2 Ca 0.00 -0.51 -0.06 0.00 -0.04 0.00 0.00 63.50 62.89 1y1b n PRO 2 Cb 0.00 -0.58 0.00 0.00 -0.04 0.00 0.00 33.50 32.89 1y1b n PRO 2 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1y1b s ASP 3 N -2.40 -0.09 0.11 3.54 1.01 -1.26 -4.96 116.67 112.62 1y1b s ASP 3 Ca 0.22 -0.74 -0.11 0.00 0.71 0.00 0.00 52.55 52.63 1y1b s ASP 3 Cb -0.03 0.65 -0.07 0.00 1.01 0.00 0.00 42.92 44.48 1y1b s ASP 3 CO 0.18 -1.26 0.18 0.00 0.21 0.00 0.00 175.17 174.48 1y1b n PRO 5 N 0.46 0.51 -2.72 0.00 -0.04 -1.26 -4.93 135.00 127.02 1y1b n PRO 5 Ca 0.07 -1.08 -0.31 0.00 -0.04 0.00 0.00 63.50 62.14 1y1b n PRO 5 Cb 0.12 -0.20 -0.01 0.00 -0.04 0.00 0.00 33.50 33.37 1y1b n PRO 5 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1y1b n LEU 6 N 0.00 5.44 -2.43 1.53 4.77 -1.26 -4.94 117.00 120.11 1y1b n LEU 6 Ca 0.06 -5.48 -0.04 0.00 -0.03 0.00 0.00 56.01 50.52 1y1b n LEU 6 Cb 0.22 -0.73 -0.03 0.00 -2.33 0.00 0.00 43.42 40.56 1y1b n LEU 6 CO 0.15 2.22 -0.52 -0.38 -1.33 0.00 0.00 177.39 177.53 1y1b n ILE 7 N -0.26-11.00 0.00 -0.08 5.41 -1.26 -5.03 119.36 107.13 1y1b n ILE 7 Ca 0.38 2.11 0.00 0.00 1.00 0.00 0.00 62.75 66.24 1y1b n ILE 7 Cb 0.39 -6.15 0.00 0.00 -0.71 0.00 0.00 39.64 33.17 1y1b n ILE 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1y1b n THR 9 N -0.24 0.00 -1.07 0.00 5.66 -1.26 -5.03 114.28 112.35 1y1b n THR 9 Ca 0.00 -0.36 0.09 0.00 -3.05 0.00 0.00 64.05 60.72 1y1b n THR 9 Cb 0.00 0.57 0.20 0.00 -1.55 0.00 0.00 70.33 69.55 1y1b n THR 9 CO 0.00 0.00 0.00 1.15 -3.05 0.00 0.00 175.07 173.17 1y1b n MET 10 N -0.61 2.12 -1.26 1.09 0.00 -1.26 -4.86 117.12 112.34 1y1b n MET 10 Ca -0.00 -2.76 -0.39 0.00 0.00 0.00 0.00 57.70 54.55 1y1b n MET 10 Cb 0.46 -1.69 -0.03 0.00 0.00 0.00 0.00 33.22 31.96 1y1b n MET 10 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 1y1b n GLN 11 N -0.96 2.18 0.00 3.17 1.13 -1.26 -4.82 117.38 116.81 1y1b n GLN 11 Ca 0.20 -2.02 0.00 0.00 -1.94 0.00 0.00 57.00 53.23 1y1b n GLN 11 Cb 0.78 -2.93 0.00 0.00 0.11 0.00 0.00 30.24 28.20 1y1b n GLN 11 CO 0.00 0.00 0.00 0.98 -1.44 0.00 0.00 177.06 176.60 1y1b n TYR 12 N 6.17 0.00 -3.01 1.08 9.36 -1.26 -4.76 117.16 124.73 1y1b n TYR 12 Ca 0.52 0.00 -0.26 0.00 3.32 0.00 0.00 57.90 61.48 1y1b n TYR 12 Cb 0.34 0.00 -0.04 0.00 -0.63 0.00 0.00 39.34 39.00 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 3.99 -4.56 2.98 2.03 -0.84 -5.06 116.55 115.10 1y1b n ASP 13 Ca 0.00 -3.58 -0.54 0.00 0.52 0.00 0.00 54.79 51.19 1y1b n ASP 13 Cb 0.00 -0.58 -0.07 0.00 -0.72 0.00 0.00 41.12 39.75 1y1b n ASP 13 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1y1b n PRO 14 N -0.07 1.14 -5.18 -0.67 -0.04 -1.16 -3.97 135.00 125.05 1y1b n PRO 14 Ca 0.30 0.37 -0.32 0.00 -0.04 0.00 0.00 63.50 63.82 1y1b n PRO 14 Cb 0.42 -2.28 -0.16 0.00 -0.04 0.00 0.00 33.50 31.44 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 5.48 2.22 -0.25 0.52 -7.23 0.18 -0.00 120.40 121.31 1y1b s VAL 15 Ca 1.04 -0.99 -0.29 0.00 -1.81 0.00 0.00 61.98 59.93 1y1b s VAL 15 Cb -0.97 -1.83 0.00 0.00 0.56 0.00 0.00 36.38 34.14 1y1b s VAL 15 CO 0.57 0.56 1.17 0.00 -0.31 0.00 0.00 175.10 177.09 1y1b s GLY 17 N 1.90 2.17 -0.83 0.00 0.00 0.13 -1.36 107.32 109.33 1y1b s GLY 17 Ca 0.50 -0.57 -0.22 0.00 0.00 0.00 0.00 44.72 44.43 1y1b s GLY 17 CO 0.15 0.03 2.38 -1.26 0.00 0.00 0.00 173.10 174.40 1y1b n SER 18 N 2.83 0.72 0.00 1.64 2.88 0.34 -1.69 113.62 120.34 1y1b n SER 18 Ca -0.16 -0.82 0.00 0.00 -1.33 0.00 0.00 58.87 56.56 1y1b n SER 18 Cb 0.53 -1.22 0.00 0.00 -0.75 0.00 0.00 64.21 62.78 1y1b n SER 18 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1y1b n ASP 19 N 13.23 0.00 0.00 -3.46 2.03 -1.26 -3.06 116.55 124.03 1y1b n ASP 19 Ca 0.54 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.85 1y1b n ASP 19 Cb 0.31 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.71 1y1b n ASP 19 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1y1b n GLY 20 N 0.00 1.94 2.98 0.27 0.00 -0.68 -5.14 105.19 104.56 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 -1.20 -5.01 121.20 110.75 1y1b s ILE 21 Ca 0.00 -0.21 -0.17 0.00 -2.23 0.00 0.00 60.65 58.04 1y1b s ILE 21 Cb 0.00 -0.19 0.11 0.00 -1.58 0.00 0.00 42.46 40.81 1y1b s ILE 21 CO 0.00 -0.12 0.58 -0.89 -1.23 0.00 0.00 174.94 173.29 1y1b s THR 22 N -0.34 5.03 0.29 2.92 2.01 -1.26 0.20 115.64 124.49 1y1b s THR 22 Ca -0.04 -1.22 -0.28 0.00 0.31 0.00 0.00 61.69 60.47 1y1b s THR 22 Cb -0.03 -4.39 -0.09 0.00 0.01 0.00 0.00 72.50 68.00 1y1b s THR 22 CO 0.00 -0.96 0.94 -0.31 -0.69 0.00 0.00 174.62 173.61 1y1b s TYR 23 N 2.10 3.82 0.64 4.92 1.51 0.35 -4.77 117.35 125.92 1y1b s TYR 23 Ca 0.07 1.84 0.23 0.00 -1.01 0.00 0.00 57.07 58.21 1y1b s TYR 23 Cb -0.27 -2.95 1.18 0.00 -0.11 0.00 0.00 41.96 39.81 1y1b s TYR 23 CO 0.05 0.31 1.65 0.78 -1.11 0.00 0.00 175.55 177.23 1y1b h GLY 24 N 3.59 0.00 -5.04 0.71 0.00 -1.88 0.53 103.07 100.99 1y1b h GLY 24 Ca -0.46 0.00 0.14 0.00 0.00 0.00 0.00 47.33 47.01 1y1b h GLY 24 CO 0.66 0.00 0.69 -1.31 0.00 0.00 0.00 176.54 176.59 1y1b s ASN 25 N -4.24 -0.24 0.55 0.19 0.01 -1.25 -1.98 114.94 107.98 1y1b s ASN 25 Ca -0.03 0.35 0.28 0.00 -0.71 0.00 0.00 52.86 52.75 1y1b s ASN 25 Cb 0.10 0.31 1.46 0.00 0.41 0.00 0.00 41.25 43.53 1y1b s ASN 25 CO 0.32 -0.16 1.94 0.00 -1.51 0.00 0.00 177.10 177.68 1y1b h ALA 26 N 2.87 2.49 -0.23 0.60 0.00 -1.81 0.56 119.26 123.74 1y1b h ALA 26 Ca -0.19 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.52 1y1b h ALA 26 Cb 1.18 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1y1b h ALA 26 CO 0.22 -0.80 -0.54 0.00 0.00 0.00 0.00 179.25 178.13 1y1b h MET 28 N 0.52 0.00 -0.05 0.00 2.86 -0.30 -1.92 114.93 116.04 1y1b h MET 28 Ca -0.00 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1y1b h MET 28 Cb 1.15 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.81 1y1b h MET 28 CO 0.12 0.05 -0.05 -0.07 1.06 0.00 0.00 176.91 178.01 1y1b h LEU 29 N 0.00 0.14 -1.65 1.22 3.38 -0.74 -2.41 115.31 115.24 1y1b h LEU 29 Ca -0.00 -0.49 0.25 0.00 0.09 0.00 0.00 57.88 57.73 1y1b h LEU 29 Cb 0.18 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 40.83 1y1b h LEU 29 CO 0.01 0.60 0.65 -0.07 0.09 0.00 0.00 178.44 179.72 1y1b h LEU 30 N -0.32 0.27 -1.06 1.67 3.38 -1.10 2.39 115.31 120.54 1y1b h LEU 30 Ca 0.01 0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 1y1b h LEU 30 Cb 0.56 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1y1b h LEU 30 CO 0.01 0.08 -0.41 1.23 0.09 0.00 0.00 178.44 179.45 1y1b h GLY 31 N 0.25 0.13 0.15 0.83 0.00 -1.31 0.41 103.07 103.53 1y1b h GLY 31 Ca 0.50 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.71 1y1b h GLY 31 CO -0.15 0.11 -0.07 0.00 0.00 0.00 0.00 176.54 176.43 1y1b h ALA 32 N 1.48 -0.35 -0.91 3.60 0.00 0.43 -1.00 119.26 122.52 1y1b h ALA 32 Ca 0.01 -0.04 0.26 0.00 0.00 0.00 0.00 54.91 55.14 1y1b h ALA 32 Cb 0.77 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 1y1b h ALA 32 CO 0.06 -0.33 0.77 0.77 0.00 0.00 0.00 179.25 180.52 1y1b h SER 33 N -0.54 0.00 0.69 0.00 0.02 -0.42 2.11 113.55 115.40 1y1b h SER 33 Ca -0.02 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.76 1y1b h SER 33 Cb 0.15 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 1y1b h SER 33 CO 0.03 0.00 -0.77 0.00 -1.14 0.00 0.00 176.83 174.95 1y1b h ARG 35 N 0.04 0.59 0.00 0.00 -0.00 0.49 -3.27 114.38 112.22 1y1b h ARG 35 Ca -0.02 -0.04 0.00 0.00 -0.50 0.00 0.00 59.98 59.43 1y1b h ARG 35 Cb 1.36 -0.13 0.00 0.00 0.00 0.00 0.00 29.97 31.20 1y1b h ARG 35 CO 0.11 0.39 -0.57 0.45 0.00 0.00 0.00 179.97 180.35 1y1b n SER 36 N -4.51 1.12 0.00 7.04 2.88 -1.14 -5.08 113.62 113.92 1y1b n SER 36 Ca 0.14 0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.87 1y1b n SER 36 Cb 0.43 -0.63 0.00 0.00 -0.75 0.00 0.00 64.21 63.26 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 -3.63 0.00 -2.17 -3.46 2.03 0.50 -4.99 116.55 104.83 1y1b n ASP 37 Ca -0.08 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.20 1y1b n ASP 37 Cb 0.29 0.00 0.07 0.00 -0.72 0.00 0.00 41.12 40.77 1y1b n ASP 37 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 1y1b n THR 38 N 0.00 0.00 -0.17 5.18 5.66 -0.31 -3.81 114.28 120.84 1y1b n THR 38 Ca 0.00 -0.69 -0.12 0.00 -3.05 0.00 0.00 64.05 60.19 1y1b n THR 38 Cb 0.00 0.84 0.07 0.00 -1.55 0.00 0.00 70.33 69.69 1y1b n THR 38 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 1y1b n PRO 39 N -1.08 1.60 -3.94 1.09 -0.04 -1.26 -4.82 135.00 126.55 1y1b n PRO 39 Ca -0.20 -1.38 -0.16 0.00 -0.04 0.00 0.00 63.50 61.72 1y1b n PRO 39 Cb 0.81 -1.54 -0.16 0.00 -0.04 0.00 0.00 33.50 32.58 1y1b n PRO 39 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1y1b s ILE 40 N -1.62 0.16 0.37 0.52 -1.09 -1.26 -4.87 121.20 113.41 1y1b s ILE 40 Ca 0.26 0.04 0.03 0.00 -2.23 0.00 0.00 60.65 58.75 1y1b s ILE 40 Cb 0.22 -0.22 -0.01 0.00 -1.58 0.00 0.00 42.46 40.87 1y1b s ILE 40 CO 0.04 0.11 0.09 1.21 -1.23 0.00 0.00 174.94 175.16 1y1b n GLU 41 N 3.79 0.72 -4.92 2.79 2.13 -1.17 -4.85 120.64 119.13 1y1b n GLU 41 Ca -0.23 -2.99 -0.31 0.00 0.66 0.00 0.00 57.16 54.29 1y1b n GLU 41 Cb 0.53 1.40 -0.14 0.00 0.27 0.00 0.00 31.44 33.50 1y1b n GLU 41 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 1y1b s LEU 42 N 0.00 2.44 0.00 4.31 1.98 -1.26 0.13 118.68 126.28 1y1b s LEU 42 Ca 0.13 -0.40 0.00 0.00 -2.89 0.00 0.00 54.13 50.97 1y1b s LEU 42 Cb 0.01 -1.45 0.00 0.00 0.66 0.00 0.00 46.19 45.40 1y1b s LEU 42 CO 0.09 0.30 0.00 0.52 -1.89 0.00 0.00 176.35 175.37 1y1b n VAL 43 N 2.00 0.00 -3.98 1.68 0.31 -0.46 -4.66 118.33 113.22 1y1b n VAL 43 Ca -0.16 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.08 1y1b n VAL 43 Cb 0.52 -1.09 -0.10 0.00 -0.91 0.00 0.00 33.84 32.26 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 -1.98 0.28 -1.11 3.52 3.76 -1.14 -5.01 115.29 113.61 1y1b s HIS 44 Ca 0.00 -0.61 -0.03 0.00 -0.15 0.00 0.00 55.06 54.27 1y1b s HIS 44 Cb 0.00 -0.21 0.22 0.00 1.11 0.00 0.00 32.58 33.70 1y1b s HIS 44 CO 0.00 -0.29 2.13 1.63 -0.85 0.00 0.00 174.74 177.37 1y1b n LYS 45 N 1.03 4.76 -1.21 1.40 4.76 -1.26 0.55 118.16 128.18 1y1b n LYS 45 Ca -0.20 -3.95 0.00 0.00 -2.87 0.00 0.00 58.31 51.28 1y1b n LYS 45 Cb 0.57 -2.51 0.00 0.00 -1.84 0.00 0.00 35.03 31.26 1y1b n LYS 45 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1y1b n GLY 46 N 0.72 -0.67 2.31 0.72 0.00 0.99 -4.73 105.19 104.53 1y1b n GLY 46 Ca 0.54 -0.49 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 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 3.55 -0.03 1.61 1.74 -1.26 -2.64 116.66 119.62 1y1b n ARG 47 Ca 0.00 -2.29 0.00 0.00 -0.77 0.00 0.00 57.85 54.79 1y1b n ARG 47 Cb 0.00 -2.59 0.00 0.00 -1.02 0.00 0.00 32.46 28.85 1y1b n ARG 47 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11