#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 -0.52 -1.07 1.97 -0.04 -1.26 -4.90 135.00 129.18 1y1c n PRO 2 Ca 0.00 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.11 1y1c n PRO 2 Cb 0.00 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.45 1y1c n PRO 2 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1y1c n ASP 3 N -2.18 -2.07 -3.82 3.54 5.68 -1.26 -4.96 116.55 111.48 1y1c n ASP 3 Ca 0.00 0.71 -0.24 0.00 -0.50 0.00 0.00 54.79 54.76 1y1c n ASP 3 Cb 0.00 -0.72 -0.17 0.00 -1.14 0.00 0.00 41.12 39.08 1y1c n ASP 3 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1y1c s ALA 4 N -1.25 0.87 0.69 2.12 0.00 -1.26 -5.10 121.76 117.83 1y1c s ALA 4 Ca 0.49 -0.24 -0.06 0.00 0.00 0.00 0.00 51.96 52.15 1y1c s ALA 4 Cb -0.56 -0.77 0.09 0.00 0.00 0.00 0.00 23.12 21.88 1y1c s ALA 4 CO 0.50 -0.42 0.21 -2.30 0.00 0.00 0.00 175.76 173.75 1y1c n PRO 5 N 5.02 -0.10 -2.19 0.00 -0.02 -1.26 -1.91 135.00 134.54 1y1c n PRO 5 Ca -0.10 -0.35 -0.35 0.00 -2.02 0.00 0.00 63.50 60.69 1y1c n PRO 5 Cb 0.50 -0.89 0.02 0.00 -0.02 0.00 0.00 33.50 33.11 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 -5.23 -0.18 -0.11 0.00 1.09 -1.26 -4.76 121.20 110.75 1y1c s ILE 7 Ca 0.50 -1.25 -0.01 0.00 -1.10 0.00 0.00 60.65 58.79 1y1c s ILE 7 Cb 0.41 -0.81 -0.07 0.00 -1.06 0.00 0.00 42.46 40.94 1y1c s ILE 7 CO -0.31 -0.72 -0.11 0.00 -0.10 0.00 0.00 174.94 173.70 1y1c n THR 9 N -2.98 0.00 -0.83 0.00 5.66 -1.26 -5.02 114.28 109.86 1y1c n THR 9 Ca -0.21 0.00 0.08 0.00 -3.05 0.00 0.00 64.05 60.87 1y1c n THR 9 Cb 0.70 0.00 0.14 0.00 -1.55 0.00 0.00 70.33 69.62 1y1c n THR 9 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 175.07 172.25 1y1c n MET 10 N 0.00 1.94 -0.59 1.09 2.81 -1.26 -4.85 117.12 116.26 1y1c n MET 10 Ca 0.00 -2.41 -0.16 0.00 -1.81 0.00 0.00 57.70 53.32 1y1c n MET 10 Cb 0.00 -1.46 -0.03 0.00 -0.71 0.00 0.00 33.22 31.02 1y1c n MET 10 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1y1c n GLN 11 N -1.02 1.58 -0.48 0.03 6.02 -1.26 -4.82 117.38 117.42 1y1c n GLN 11 Ca 0.14 -1.12 -0.05 0.00 -0.01 0.00 0.00 57.00 55.97 1y1c n GLN 11 Cb 0.61 -2.23 -0.05 0.00 1.02 0.00 0.00 30.24 29.59 1y1c n GLN 11 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 1y1c n TYR 12 N 3.96 0.00 -3.48 1.08 9.36 -1.26 -4.75 117.16 122.07 1y1c n TYR 12 Ca 0.34 0.00 -0.27 0.00 3.32 0.00 0.00 57.90 61.29 1y1c n TYR 12 Cb 0.19 -0.19 -0.09 0.00 -0.63 0.00 0.00 39.34 38.62 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 1.91 2.91 -4.54 2.98 2.03 0.67 -5.03 116.55 117.48 1y1c n ASP 13 Ca 0.15 -3.24 -0.37 0.00 0.52 0.00 0.00 54.79 51.85 1y1c n ASP 13 Cb 0.11 -0.68 -0.06 0.00 -0.72 0.00 0.00 41.12 39.78 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 1.24 0.80 -3.58 -0.67 -0.04 -1.08 -3.39 135.00 128.28 1y1c n PRO 14 Ca 0.27 -0.02 -0.36 0.00 -0.04 0.00 0.00 63.50 63.34 1y1c n PRO 14 Cb 0.42 -3.02 -0.08 0.00 -0.04 0.00 0.00 33.50 30.78 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 11.57 5.32 -0.29 0.52 -7.23 0.30 -0.17 120.40 130.42 1y1c s VAL 15 Ca 1.06 0.41 -0.29 0.00 -1.81 0.00 0.00 61.98 61.36 1y1c s VAL 15 Cb -0.41 -3.58 0.01 0.00 0.56 0.00 0.00 36.38 32.96 1y1c s VAL 15 CO 0.31 0.37 1.14 0.00 -0.31 0.00 0.00 175.10 176.61 1y1c s GLY 17 N 1.89 1.89 -0.83 0.00 0.00 -0.01 -0.63 107.32 109.63 1y1c s GLY 17 Ca 0.49 -0.77 -0.23 0.00 0.00 0.00 0.00 44.72 44.21 1y1c s GLY 17 CO 0.16 -0.31 2.42 1.44 0.00 0.00 0.00 173.10 176.81 1y1c n SER 18 N 2.67 0.67 0.00 1.64 7.64 0.12 -2.09 113.62 124.26 1y1c n SER 18 Ca -0.18 -0.57 0.00 0.00 1.01 0.00 0.00 58.87 59.13 1y1c n SER 18 Cb 0.53 -1.15 0.00 0.00 -1.01 0.00 0.00 64.21 62.58 1y1c n SER 18 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1y1c n ASP 19 N 12.45 0.00 0.00 6.43 2.03 -1.26 -2.87 116.55 133.33 1y1c n ASP 19 Ca 0.55 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.86 1y1c n ASP 19 Cb 0.28 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.68 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 1.88 2.98 0.27 0.00 -0.89 -5.13 105.19 104.30 1y1c n GLY 20 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 0.58 -0.55 -0.61 -1.09 -1.21 -5.03 121.20 111.31 1y1c s ILE 21 Ca 0.00 -0.29 -0.16 0.00 -2.23 0.00 0.00 60.65 57.98 1y1c s ILE 21 Cb 0.00 -0.51 0.13 0.00 -1.58 0.00 0.00 42.46 40.50 1y1c s ILE 21 CO 0.00 0.18 0.50 -0.89 -1.23 0.00 0.00 174.94 173.50 1y1c s THR 22 N 0.02 5.18 -0.07 2.92 2.01 -1.26 -0.83 115.64 123.61 1y1c s THR 22 Ca 0.00 -1.55 -0.28 0.00 0.31 0.00 0.00 61.69 60.17 1y1c s THR 22 Cb -0.05 -4.32 -0.02 0.00 0.01 0.00 0.00 72.50 68.12 1y1c s THR 22 CO -0.00 -0.87 0.93 -0.31 -0.69 0.00 0.00 174.62 173.68 1y1c s TYR 23 N 1.54 3.57 0.64 4.92 2.02 0.41 -4.75 117.35 125.70 1y1c s TYR 23 Ca 0.04 1.55 0.17 0.00 -0.37 0.00 0.00 57.07 58.46 1y1c s TYR 23 Cb -0.29 -3.09 0.85 0.00 -0.40 0.00 0.00 41.96 39.03 1y1c s TYR 23 CO 0.02 -0.10 1.45 0.78 -1.57 0.00 0.00 175.55 176.14 1y1c h GLY 24 N 7.41 0.00 -4.99 0.71 0.00 -1.86 0.86 103.07 105.21 1y1c h GLY 24 Ca -0.36 0.00 0.13 0.00 0.00 0.00 0.00 47.33 47.10 1y1c h GLY 24 CO 0.80 0.00 0.67 0.54 0.00 0.00 0.00 176.54 178.55 1y1c s ASN 25 N -3.80 -0.26 0.61 0.19 2.20 -1.22 -0.24 114.94 112.42 1y1c s ASN 25 Ca -0.02 0.38 0.27 0.00 -0.94 0.00 0.00 52.86 52.54 1y1c s ASN 25 Cb 0.07 0.33 1.25 0.00 -2.00 0.00 0.00 41.25 40.91 1y1c s ASN 25 CO 0.23 -0.18 1.67 0.00 -2.94 0.00 0.00 177.10 175.88 1y1c h ALA 26 N 2.89 2.31 0.00 3.54 0.00 -1.79 0.48 119.26 126.69 1y1c h ALA 26 Ca -0.19 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1y1c h ALA 26 Cb 1.18 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1y1c h ALA 26 CO 0.23 -1.01 -0.00 0.00 0.00 0.00 0.00 179.25 178.47 1y1c h MET 28 N -0.94 0.25 0.18 0.00 2.86 -0.43 2.09 114.93 118.95 1y1c h MET 28 Ca -0.00 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1y1c h MET 28 Cb 0.91 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.51 1y1c h MET 28 CO 0.00 0.17 -0.09 1.25 1.06 0.00 0.00 176.91 179.30 1y1c h LEU 29 N 0.26 -0.22 -1.82 1.22 6.46 -0.74 0.14 115.31 120.62 1y1c h LEU 29 Ca 0.60 0.01 0.32 0.00 -0.12 0.00 0.00 57.88 58.69 1y1c h LEU 29 Cb 1.79 0.06 -0.06 0.00 -0.73 0.00 0.00 40.66 41.72 1y1c h LEU 29 CO -0.23 -0.15 0.80 -0.07 -0.62 0.00 0.00 178.44 178.17 1y1c h LEU 30 N -0.25 0.12 -0.45 2.25 3.38 0.44 2.94 115.31 123.74 1y1c h LEU 30 Ca -0.02 0.03 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 1y1c h LEU 30 Cb 0.20 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1y1c h LEU 30 CO 0.04 0.02 -0.68 0.00 0.09 0.00 0.00 178.44 177.90 1y1c h ALA 32 N 0.97 -0.86 0.00 0.00 0.00 0.67 -2.51 119.26 117.54 1y1c h ALA 32 Ca -0.02 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1y1c h ALA 32 Cb 1.24 0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.36 1y1c h ALA 32 CO 0.12 -0.80 0.30 1.03 0.00 0.00 0.00 179.25 179.90 1y1c h SER 33 N -1.23 0.00 0.10 0.00 0.87 0.08 1.03 113.55 114.39 1y1c h SER 33 Ca -0.09 0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 60.22 1y1c h SER 33 Cb 0.66 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.65 1y1c h SER 33 CO 0.14 0.00 -1.04 0.00 -0.53 0.00 0.00 176.83 175.40 1y1c h ALA 34 N 1.38 -0.00 0.00 6.23 0.00 -0.99 -3.40 119.26 122.47 1y1c h ALA 34 Ca 0.00 -0.72 -0.17 0.00 0.00 0.00 0.00 54.91 54.02 1y1c h ALA 34 Cb 0.60 0.09 -0.37 0.00 0.00 0.00 0.00 17.79 18.11 1y1c h ALA 34 CO 0.00 0.57 -1.01 2.89 0.00 0.00 0.00 179.25 181.70 1y1c n ARG 35 N -3.94 0.00 0.00 0.00 0.00 -0.33 -5.00 116.66 107.39 1y1c n ARG 35 Ca -0.13 -1.95 0.00 0.00 -0.00 0.00 0.00 57.85 55.77 1y1c n ARG 35 Cb 0.89 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 33.36 1y1c n ARG 35 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1y1c n SER 36 N 0.48 0.00 0.00 2.89 2.88 0.34 -5.01 113.62 115.20 1y1c n SER 36 Ca 0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 1y1c n SER 36 Cb 1.13 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.59 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 -3.85 -3.46 2.03 -1.26 -5.09 116.55 104.92 1y1c n ASP 37 Ca 0.00 0.00 -0.19 0.00 0.52 0.00 0.00 54.79 55.12 1y1c n ASP 37 Cb 0.00 0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 40.24 1y1c n ASP 37 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1y1c s THR 38 N 0.00 0.35 -0.78 5.18 -4.23 -1.26 -5.08 115.64 109.82 1y1c s THR 38 Ca 0.00 -0.00 -0.23 0.00 -1.18 0.00 0.00 61.69 60.27 1y1c s THR 38 Cb 0.00 -0.41 -0.17 0.00 1.34 0.00 0.00 72.50 73.26 1y1c s THR 38 CO 0.00 0.19 2.40 -0.81 -0.54 0.00 0.00 174.62 175.86 1y1c n PRO 39 N 4.16 0.51 -1.41 3.99 -0.04 -1.26 -4.87 135.00 136.08 1y1c n PRO 39 Ca -0.24 -0.35 -0.35 0.00 -0.04 0.00 0.00 63.50 62.52 1y1c n PRO 39 Cb 0.51 -2.83 0.10 0.00 -0.04 0.00 0.00 33.50 31.23 1y1c n PRO 39 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1y1c n ILE 40 N 7.79 3.44 -3.66 0.52 -0.00 -1.26 -5.00 119.36 121.19 1y1c n ILE 40 Ca 0.51 -0.36 -0.29 0.00 -0.00 0.00 0.00 62.75 62.61 1y1c n ILE 40 Cb 0.35 -1.32 -0.14 0.00 -0.00 0.00 0.00 39.64 38.53 1y1c n ILE 40 CO 0.00 0.00 0.00 -1.61 -0.00 0.00 0.00 176.55 174.94 1y1c s GLU 41 N -3.70 0.69 0.39 6.28 2.02 -1.14 -4.82 118.70 118.42 1y1c s GLU 41 Ca 0.78 -1.16 -0.16 0.00 0.02 0.00 0.00 54.97 54.44 1y1c s GLU 41 Cb -0.34 -1.80 -0.13 0.00 0.10 0.00 0.00 34.13 31.97 1y1c s GLU 41 CO 0.46 -1.05 -0.03 1.28 0.02 0.00 0.00 175.26 175.94 1y1c n LEU 42 N 4.60 -2.82 0.00 1.80 7.99 -1.26 0.13 117.00 127.44 1y1c n LEU 42 Ca 0.01 0.61 0.00 0.00 -0.01 0.00 0.00 56.01 56.62 1y1c n LEU 42 Cb 0.40 -0.73 0.00 0.00 -0.11 0.00 0.00 43.42 42.98 1y1c n LEU 42 CO 0.12 -3.84 -0.06 1.33 -1.51 0.00 0.00 177.39 173.43 1y1c n VAL 43 N -1.10 0.00 -3.67 4.08 0.24 0.19 -4.55 118.33 113.52 1y1c n VAL 43 Ca 0.08 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.28 1y1c n VAL 43 Cb 0.37 -0.08 -0.11 0.00 -1.47 0.00 0.00 33.84 32.56 1y1c n VAL 43 CO 0.00 0.00 0.00 -1.38 -2.14 0.00 0.00 176.83 173.31 1y1c s HIS 44 N -1.13 -0.64 -0.80 6.34 0.00 -1.12 -5.03 115.29 112.91 1y1c s HIS 44 Ca 0.00 1.30 -0.13 0.00 -3.00 0.00 0.00 55.06 53.23 1y1c s HIS 44 Cb 0.00 0.19 -0.10 0.00 -4.00 0.00 0.00 32.58 28.67 1y1c s HIS 44 CO 0.00 -0.42 1.97 0.36 -1.00 0.00 0.00 174.74 175.65 1y1c n LYS 45 N 5.17 1.70 0.00 -0.38 -0.00 -1.26 0.84 118.16 124.23 1y1c n LYS 45 Ca -0.11 -1.58 0.00 0.00 -0.00 0.00 0.00 58.31 56.62 1y1c n LYS 45 Cb 0.50 -2.64 0.00 0.00 -0.00 0.00 0.00 35.03 32.89 1y1c n LYS 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1y1c n GLY 46 N 4.14 0.89 2.47 2.58 0.00 0.77 -4.70 105.19 111.34 1y1c n GLY 46 Ca 0.45 -0.54 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 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 4.11 0.00 1.61 1.74 -1.25 -2.16 116.66 120.71 1y1c n ARG 47 Ca 0.00 -3.18 0.00 0.00 -0.77 0.00 0.00 57.85 53.90 1y1c n ARG 47 Cb 0.00 -2.53 0.00 0.00 -1.02 0.00 0.00 32.46 28.91 1y1c n ARG 47 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11