#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y1c n PRO 2 N 0.00 0.01 -3.84 1.64 -0.02 -1.26 -5.05 135.00 126.48 1y1c n PRO 2 Ca 0.00 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.34 1y1c n PRO 2 Cb 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 33.50 33.33 1y1c n PRO 2 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1y1c s ASP 3 N -1.86 0.09 -0.16 2.55 1.11 -1.26 -5.06 116.67 112.07 1y1c s ASP 3 Ca 0.00 0.01 -0.01 0.00 0.18 0.00 0.00 52.55 52.74 1y1c s ASP 3 Cb 0.00 -0.05 0.04 0.00 1.07 0.00 0.00 42.92 43.98 1y1c s ASP 3 CO 0.00 -0.06 -0.05 0.00 1.18 0.00 0.00 175.17 176.24 1y1c s ALA 4 N 0.54 1.46 0.66 5.23 0.00 -1.26 -5.11 121.76 123.28 1y1c s ALA 4 Ca -0.05 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.11 1y1c s ALA 4 Cb -0.07 -1.11 0.00 0.00 0.00 0.00 0.00 23.12 21.95 1y1c s ALA 4 CO -0.01 -0.76 0.00 -2.30 0.00 0.00 0.00 175.76 172.68 1y1c n PRO 5 N 4.88 0.73 -2.42 0.00 -0.02 -1.26 -1.67 135.00 135.24 1y1c n PRO 5 Ca -0.12 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.07 1y1c n PRO 5 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.96 1y1c n PRO 5 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1y1c s ILE 7 N -5.39 -0.34 -0.09 0.00 1.01 -1.26 -4.79 121.20 110.34 1y1c s ILE 7 Ca 0.49 -1.25 0.02 0.00 0.00 0.00 0.00 60.65 59.90 1y1c s ILE 7 Cb 0.40 -0.64 -0.07 0.00 0.01 0.00 0.00 42.46 42.16 1y1c s ILE 7 CO -0.22 -0.59 -0.06 0.00 0.00 0.00 0.00 174.94 174.07 1y1c s THR 9 N -2.18 0.00 -0.27 0.00 -1.32 -1.26 -5.02 115.64 105.58 1y1c s THR 9 Ca -0.10 -0.41 0.15 0.00 -1.21 0.00 0.00 61.69 60.12 1y1c s THR 9 Cb 0.03 -2.57 0.41 0.00 -1.51 0.00 0.00 72.50 68.85 1y1c s THR 9 CO 0.23 0.00 1.31 0.23 -2.21 0.00 0.00 174.62 174.18 1y1c n MET 10 N -0.67 2.55 -0.96 7.08 2.81 -1.26 -4.81 117.12 121.87 1y1c n MET 10 Ca -0.03 -2.57 -0.27 0.00 -1.81 0.00 0.00 57.70 53.02 1y1c n MET 10 Cb 0.60 -1.62 -0.03 0.00 -0.71 0.00 0.00 33.22 31.45 1y1c n MET 10 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 1y1c n GLN 11 N -0.56 2.65 0.00 0.03 0.00 -1.26 -4.84 117.38 113.39 1y1c n GLN 11 Ca 0.17 -1.67 0.00 0.00 -0.00 0.00 0.00 57.00 55.50 1y1c n GLN 11 Cb 0.72 -2.52 0.00 0.00 0.00 0.00 0.00 30.24 28.44 1y1c n GLN 11 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.06 178.04 1y1c n TYR 12 N 3.80 0.00 -3.03 3.69 9.36 -1.26 -4.73 117.16 124.98 1y1c n TYR 12 Ca 0.56 0.00 -0.31 0.00 3.32 0.00 0.00 57.90 61.47 1y1c n TYR 12 Cb 0.23 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 38.90 1y1c n TYR 12 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1y1c n ASP 13 N 0.00 5.02 -4.54 2.98 2.03 0.19 -5.02 116.55 117.22 1y1c n ASP 13 Ca 0.00 -3.59 -0.31 0.00 0.52 0.00 0.00 54.79 51.41 1y1c n ASP 13 Cb 0.00 -0.78 -0.09 0.00 -0.72 0.00 0.00 41.12 39.54 1y1c n ASP 13 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1y1c n PRO 14 N 0.26 0.59 -3.61 -0.67 -0.04 -0.62 -3.52 135.00 127.39 1y1c n PRO 14 Ca 0.33 -0.19 -0.37 0.00 -0.04 0.00 0.00 63.50 63.23 1y1c n PRO 14 Cb 0.37 -2.82 -0.09 0.00 -0.04 0.00 0.00 33.50 30.92 1y1c n PRO 14 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1y1c s VAL 15 N 10.84 5.33 -0.20 0.52 -7.23 0.28 -0.63 120.40 129.32 1y1c s VAL 15 Ca 1.09 0.31 -0.29 0.00 -1.81 0.00 0.00 61.98 61.28 1y1c s VAL 15 Cb -0.47 -3.55 -0.00 0.00 0.56 0.00 0.00 36.38 32.92 1y1c s VAL 15 CO 0.30 0.35 1.12 0.00 -0.31 0.00 0.00 175.10 176.56 1y1c s GLY 17 N 1.46 1.87 -0.87 0.00 0.00 0.25 -0.66 107.32 109.37 1y1c s GLY 17 Ca 0.48 -0.96 -0.21 0.00 0.00 0.00 0.00 44.72 44.03 1y1c s GLY 17 CO 0.10 -0.83 2.38 -1.26 0.00 0.00 0.00 173.10 173.49 1y1c n SER 18 N 1.39 0.34 0.00 1.64 2.88 0.16 -1.75 113.62 118.28 1y1c n SER 18 Ca -0.15 -0.63 0.00 0.00 -1.33 0.00 0.00 58.87 56.76 1y1c n SER 18 Cb 0.53 -1.07 0.00 0.00 -0.75 0.00 0.00 64.21 62.91 1y1c n SER 18 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1y1c n ASP 19 N 11.65 0.00 0.00 -3.46 2.03 -1.26 -2.77 116.55 122.74 1y1c n ASP 19 Ca 0.57 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.88 1y1c n ASP 19 Cb 0.25 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.65 1y1c n ASP 19 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1y1c n GLY 20 N 0.00 1.76 2.99 0.27 0.00 -0.72 -5.11 105.19 104.38 1y1c n GLY 20 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1y1c n GLY 20 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y1c s ILE 21 N -2.00 0.72 -0.54 -0.61 -1.09 -1.20 -5.01 121.20 111.47 1y1c s ILE 21 Ca 0.00 -0.34 -0.18 0.00 -2.23 0.00 0.00 60.65 57.91 1y1c s ILE 21 Cb 0.00 -0.64 0.10 0.00 -1.58 0.00 0.00 42.46 40.33 1y1c s ILE 21 CO 0.00 0.23 0.58 -0.89 -1.23 0.00 0.00 174.94 173.63 1y1c s THR 22 N 0.14 5.01 -0.22 2.92 2.01 -1.26 -0.58 115.64 123.66 1y1c s THR 22 Ca -0.02 -1.06 -0.24 0.00 0.31 0.00 0.00 61.69 60.68 1y1c s THR 22 Cb -0.08 -4.35 -0.01 0.00 0.01 0.00 0.00 72.50 68.07 1y1c s THR 22 CO 0.00 -0.90 0.79 -0.31 -0.69 0.00 0.00 174.62 173.51 1y1c s TYR 23 N 2.19 3.34 0.59 4.92 2.02 0.42 -4.78 117.35 126.04 1y1c s TYR 23 Ca 0.08 1.11 0.36 0.00 -0.37 0.00 0.00 57.07 58.25 1y1c s TYR 23 Cb -0.25 -2.99 1.26 0.00 -0.40 0.00 0.00 41.96 39.58 1y1c s TYR 23 CO 0.06 -0.34 1.44 0.78 -1.57 0.00 0.00 175.55 175.92 1y1c h GLY 24 N 8.87 0.00 -4.69 0.71 0.00 -1.85 0.80 103.07 106.92 1y1c h GLY 24 Ca -0.26 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.09 1y1c h GLY 24 CO 0.84 0.00 0.35 -1.31 0.00 0.00 0.00 176.54 176.42 1y1c s ASN 25 N -3.72 -0.54 0.58 0.19 0.01 -1.23 0.55 114.94 110.79 1y1c s ASN 25 Ca -0.04 0.81 0.31 0.00 -0.71 0.00 0.00 52.86 53.23 1y1c s ASN 25 Cb 0.19 0.74 1.37 0.00 0.41 0.00 0.00 41.25 43.97 1y1c s ASN 25 CO 0.64 -0.34 1.72 0.00 -1.51 0.00 0.00 177.10 177.61 1y1c h ALA 26 N 3.58 2.64 0.02 0.60 0.00 -1.77 0.69 119.26 125.03 1y1c h ALA 26 Ca -0.25 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1y1c h ALA 26 Cb 1.16 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1y1c h ALA 26 CO 0.23 -1.19 -0.01 0.00 0.00 0.00 0.00 179.25 178.27 1y1c h MET 28 N -0.89 0.32 0.09 0.00 2.86 -0.11 2.12 114.93 119.32 1y1c h MET 28 Ca -0.00 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.64 1y1c h MET 28 Cb 0.76 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.31 1y1c h MET 28 CO 0.00 0.21 -0.27 1.25 1.06 0.00 0.00 176.91 179.17 1y1c h LEU 29 N 0.33 -0.77 -1.74 1.22 6.46 -0.02 0.51 115.31 121.30 1y1c h LEU 29 Ca 0.68 0.09 0.34 0.00 -0.12 0.00 0.00 57.88 58.87 1y1c h LEU 29 Cb 1.76 0.30 -0.07 0.00 -0.73 0.00 0.00 40.66 41.92 1y1c h LEU 29 CO -0.39 -0.35 0.82 -0.07 -0.62 0.00 0.00 178.44 177.83 1y1c h LEU 30 N -0.46 0.16 -0.09 2.25 3.38 0.43 3.17 115.31 124.15 1y1c h LEU 30 Ca 0.04 0.04 -0.22 0.00 0.09 0.00 0.00 57.88 57.83 1y1c h LEU 30 Cb 0.50 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1y1c h LEU 30 CO -0.17 0.01 -1.01 0.00 0.09 0.00 0.00 178.44 177.36 1y1c h ALA 32 N 0.89 -0.96 -0.24 0.00 0.00 0.99 -1.41 119.26 118.53 1y1c h ALA 32 Ca -0.05 -0.22 0.07 0.00 0.00 0.00 0.00 54.91 54.70 1y1c h ALA 32 Cb 1.71 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 19.86 1y1c h ALA 32 CO 0.15 -0.94 0.26 1.03 0.00 0.00 0.00 179.25 179.75 1y1c h SER 33 N -1.16 0.00 0.43 0.00 0.87 0.32 0.89 113.55 114.91 1y1c h SER 33 Ca -0.10 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.26 1y1c h SER 33 Cb 0.76 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.71 1y1c h SER 33 CO 0.16 0.00 -0.85 0.00 -0.53 0.00 0.00 176.83 175.62 1y1c h ALA 34 N 1.72 0.52 0.00 6.23 0.00 -0.99 -3.36 119.26 123.37 1y1c h ALA 34 Ca 0.11 -0.68 -0.06 0.00 0.00 0.00 0.00 54.91 54.28 1y1c h ALA 34 Cb 0.62 -0.06 -0.14 0.00 0.00 0.00 0.00 17.79 18.22 1y1c h ALA 34 CO -0.00 0.84 -0.62 2.89 0.00 0.00 0.00 179.25 182.36 1y1c n ARG 35 N -3.73 0.77 0.00 0.00 -4.01 -0.30 -4.96 116.66 104.41 1y1c n ARG 35 Ca -0.04 -2.43 0.00 0.00 -1.04 0.00 0.00 57.85 54.33 1y1c n ARG 35 Cb 0.78 -0.87 0.00 0.00 -3.04 0.00 0.00 32.46 29.33 1y1c n ARG 35 CO 0.00 0.00 0.00 0.45 -3.04 0.00 0.00 177.63 175.04 1y1c n SER 36 N -0.43 0.00 0.00 2.89 2.88 0.29 -4.99 113.62 114.26 1y1c n SER 36 Ca 0.11 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.65 1y1c n SER 36 Cb 0.85 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.31 1y1c n SER 36 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1y1c n ASP 37 N 0.00 0.00 -3.98 -3.46 2.03 -1.26 -5.09 116.55 104.79 1y1c n ASP 37 Ca 0.00 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.20 1y1c n ASP 37 Cb 0.00 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.28 1y1c n ASP 37 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1y1c s THR 38 N 0.00 0.25 -0.73 5.18 -1.32 -1.26 -5.08 115.64 112.68 1y1c s THR 38 Ca 0.00 -0.72 -0.25 0.00 -1.21 0.00 0.00 61.69 59.51 1y1c s THR 38 Cb 0.00 -0.33 -0.14 0.00 -1.51 0.00 0.00 72.50 70.53 1y1c s THR 38 CO 0.00 -0.31 2.41 -0.81 -2.21 0.00 0.00 174.62 173.70 1y1c n PRO 39 N 1.97 0.64 -2.67 7.08 -0.04 -1.26 -4.83 135.00 135.89 1y1c n PRO 39 Ca -0.20 -0.52 -0.42 0.00 -0.04 0.00 0.00 63.50 62.32 1y1c n PRO 39 Cb 0.56 -3.35 -0.03 0.00 -0.04 0.00 0.00 33.50 30.64 1y1c n PRO 39 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1y1c s ILE 40 N 12.82 4.74 0.00 0.52 -0.00 -1.26 -4.97 121.20 133.05 1y1c s ILE 40 Ca 0.99 1.99 0.00 0.00 -0.00 0.00 0.00 60.65 63.63 1y1c s ILE 40 Cb -0.24 -4.28 0.00 0.00 -0.00 0.00 0.00 42.46 37.94 1y1c s ILE 40 CO 0.18 0.05 0.00 -0.62 -0.00 0.00 0.00 174.94 174.56 1y1c n GLU 41 N 4.68 3.09 -4.42 0.37 -0.58 -1.11 -4.74 120.64 117.92 1y1c n GLU 41 Ca 0.08 0.00 -0.28 0.00 -0.42 0.00 0.00 57.16 56.54 1y1c n GLU 41 Cb 0.49 0.00 -0.13 0.00 -0.57 0.00 0.00 31.44 31.23 1y1c n GLU 41 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1y1c s LEU 42 N 0.00 2.30 0.00 -4.62 2.01 -1.26 0.35 118.68 117.46 1y1c s LEU 42 Ca 0.00 -0.72 0.00 0.00 0.01 0.00 0.00 54.13 53.42 1y1c s LEU 42 Cb 0.00 -1.16 0.00 0.00 0.01 0.00 0.00 46.19 45.04 1y1c s LEU 42 CO 0.00 0.16 0.00 0.52 1.01 0.00 0.00 176.35 178.04 1y1c n VAL 43 N 1.03 0.00 -3.65 -1.59 0.31 0.17 -4.45 118.33 110.14 1y1c n VAL 43 Ca -0.18 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.10 1y1c n VAL 43 Cb 0.53 -0.06 -0.06 0.00 -0.91 0.00 0.00 33.84 33.34 1y1c n VAL 43 CO 0.00 0.00 0.00 -1.38 -1.32 0.00 0.00 176.83 174.13 1y1c s HIS 44 N -1.08 -1.11 -0.86 3.52 0.00 -1.02 -5.02 115.29 109.71 1y1c s HIS 44 Ca 0.00 2.02 -0.15 0.00 -3.00 0.00 0.00 55.06 53.93 1y1c s HIS 44 Cb 0.00 0.61 -0.11 0.00 -4.00 0.00 0.00 32.58 29.09 1y1c s HIS 44 CO 0.00 -0.58 2.01 0.36 -1.00 0.00 0.00 174.74 175.53 1y1c n LYS 45 N 5.19 1.79 -0.44 -0.38 2.85 -1.26 0.87 118.16 126.78 1y1c n LYS 45 Ca -0.13 -1.71 0.00 0.00 -1.05 0.00 0.00 58.31 55.42 1y1c n LYS 45 Cb 0.51 -2.74 0.00 0.00 -0.65 0.00 0.00 35.03 32.15 1y1c n LYS 45 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1y1c n GLY 46 N 4.19 0.71 2.41 2.58 0.00 0.20 -4.75 105.19 110.54 1y1c n GLY 46 Ca 0.48 -0.64 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 1y1c n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y1c n ARG 47 N 0.00 3.86 0.00 1.61 1.74 -1.25 -2.35 116.66 120.27 1y1c n ARG 47 Ca 0.00 -2.82 0.00 0.00 -0.77 0.00 0.00 57.85 54.26 1y1c n ARG 47 Cb 0.00 -2.54 0.00 0.00 -1.02 0.00 0.00 32.46 28.90 1y1c n ARG 47 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11