#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y1c s PRO 2 N 0.00 0.46 0.00 -1.58 0.04 -1.26 -5.05 135.00 127.60 1y1c s PRO 2 Ca 0.00 0.04 0.00 0.00 0.04 0.00 0.00 61.00 61.08 1y1c s PRO 2 Cb 0.00 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.76 1y1c s PRO 2 CO 0.00 -2.61 0.00 -0.40 0.04 0.00 0.00 177.00 174.03 1y1c n ASP 3 N -4.01 0.00 0.09 6.66 5.68 -1.26 -5.05 116.55 118.66 1y1c n ASP 3 Ca 0.10 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.39 1y1c n ASP 3 Cb 0.59 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.57 1y1c n ASP 3 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1y1c n ALA 4 N 0.00 0.00 -0.29 2.12 0.00 -1.22 -4.61 120.51 116.51 1y1c n ALA 4 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1y1c n ALA 4 Cb 0.00 0.00 0.27 0.00 0.00 0.00 0.00 19.45 19.72 1y1c n ALA 4 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1y1c n PRO 5 N -3.15 -4.32 -2.70 0.00 -0.02 -1.26 -3.40 135.00 120.15 1y1c n PRO 5 Ca 0.00 -1.28 -0.05 0.00 -2.02 0.00 0.00 63.50 60.15 1y1c n PRO 5 Cb 0.00 -1.89 0.06 0.00 -0.02 0.00 0.00 33.50 31.65 1y1c n PRO 5 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1y1c n ILE 7 N 1.78 -0.50 -0.04 0.00 5.41 -1.26 -4.43 119.36 120.32 1y1c n ILE 7 Ca 0.06 -4.10 -0.20 0.00 1.00 0.00 0.00 62.75 59.51 1y1c n ILE 7 Cb 0.67 -1.93 -0.13 0.00 -0.71 0.00 0.00 39.64 37.54 1y1c n ILE 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1y1c s THR 9 N -2.40 0.00 -0.38 0.00 -1.32 -1.26 -5.00 115.64 105.28 1y1c s THR 9 Ca -0.23 -0.13 0.10 0.00 -1.21 0.00 0.00 61.69 60.22 1y1c s THR 9 Cb 0.04 -1.36 0.65 0.00 -1.51 0.00 0.00 72.50 70.32 1y1c s THR 9 CO 0.70 0.00 1.58 0.23 -2.21 0.00 0.00 174.62 174.92 1y1c n MET 10 N -0.26 3.73 -2.16 7.08 2.81 -1.26 -4.65 117.12 122.41 1y1c n MET 10 Ca -0.04 -2.57 -0.41 0.00 -1.81 0.00 0.00 57.70 52.86 1y1c n MET 10 Cb 0.60 -2.10 -0.00 0.00 -0.71 0.00 0.00 33.22 31.01 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 0.21 4.19 -0.06 0.03 3.00 -1.26 -4.93 117.38 118.55 1y1c n GLN 11 Ca 0.29 -3.51 -0.00 0.00 -0.01 0.00 0.00 57.00 53.76 1y1c n GLN 11 Cb 1.13 -2.75 -0.00 0.00 0.00 0.00 0.00 30.24 28.62 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 2.61 0.00 -3.28 1.08 9.36 -1.26 -4.74 117.16 120.93 1y1c n TYR 12 Ca 0.52 0.00 -0.36 0.00 3.32 0.00 0.00 57.90 61.38 1y1c n TYR 12 Cb 0.30 -0.03 -0.04 0.00 -0.63 0.00 0.00 39.34 38.94 1y1c n TYR 12 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 1y1c n ASP 13 N 0.26 5.03 -4.54 2.98 8.00 0.33 -4.99 116.55 123.61 1y1c n ASP 13 Ca 0.01 -3.37 -0.27 0.00 0.71 0.00 0.00 54.79 51.87 1y1c n ASP 13 Cb 0.02 -1.01 -0.08 0.00 -0.02 0.00 0.00 41.12 40.03 1y1c n ASP 13 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1y1c n PRO 14 N 1.32 0.62 -3.58 -0.24 -0.04 -0.87 -3.40 135.00 128.82 1y1c n PRO 14 Ca 0.27 -0.30 -0.36 0.00 -0.04 0.00 0.00 63.50 63.07 1y1c n PRO 14 Cb 0.37 -3.01 -0.07 0.00 -0.04 0.00 0.00 33.50 30.75 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 11.39 5.33 -0.23 0.52 -7.23 0.30 -1.23 120.40 129.24 1y1c s VAL 15 Ca 1.05 0.46 -0.29 0.00 -1.81 0.00 0.00 61.98 61.40 1y1c s VAL 15 Cb -0.38 -3.60 0.00 0.00 0.56 0.00 0.00 36.38 32.97 1y1c s VAL 15 CO 0.26 0.39 1.14 0.00 -0.31 0.00 0.00 175.10 176.59 1y1c s GLY 17 N 1.66 1.87 -0.89 0.00 0.00 0.10 0.01 107.32 110.08 1y1c s GLY 17 Ca 0.49 -0.88 -0.21 0.00 0.00 0.00 0.00 44.72 44.11 1y1c s GLY 17 CO 0.12 -0.70 2.40 -1.26 0.00 0.00 0.00 173.10 173.66 1y1c n SER 18 N 1.71 0.20 0.00 1.64 2.88 0.23 -1.76 113.62 118.52 1y1c n SER 18 Ca -0.16 -0.49 0.00 0.00 -1.33 0.00 0.00 58.87 56.88 1y1c n SER 18 Cb 0.53 -1.01 0.00 0.00 -0.75 0.00 0.00 64.21 62.99 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 10.92 0.00 0.00 -3.46 -0.08 -1.26 -2.93 116.55 119.74 1y1c n ASP 19 Ca 0.59 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.87 1y1c n ASP 19 Cb 0.22 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.68 1y1c n ASP 19 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1y1c n GLY 20 N 0.00 1.64 2.96 0.27 0.00 -0.72 -5.12 105.19 104.22 1y1c n GLY 20 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 0.49 -0.59 -0.61 -1.09 -1.21 -5.01 121.20 111.19 1y1c s ILE 21 Ca 0.00 -0.23 -0.18 0.00 -2.23 0.00 0.00 60.65 58.00 1y1c s ILE 21 Cb 0.00 -0.43 0.11 0.00 -1.58 0.00 0.00 42.46 40.56 1y1c s ILE 21 CO 0.00 0.15 0.68 -0.89 -1.23 0.00 0.00 174.94 173.65 1y1c s THR 22 N 0.04 4.88 -0.17 2.92 2.01 -1.26 -0.72 115.64 123.34 1y1c s THR 22 Ca -0.00 -1.08 -0.25 0.00 0.31 0.00 0.00 61.69 60.66 1y1c s THR 22 Cb -0.05 -4.47 -0.01 0.00 0.01 0.00 0.00 72.50 67.98 1y1c s THR 22 CO -0.00 -1.09 0.83 -0.31 -0.69 0.00 0.00 174.62 173.35 1y1c s TYR 23 N 2.51 3.42 0.59 4.92 2.02 0.85 -4.73 117.35 126.93 1y1c s TYR 23 Ca 0.10 1.25 0.33 0.00 -0.37 0.00 0.00 57.07 58.39 1y1c s TYR 23 Cb -0.25 -3.01 1.16 0.00 -0.40 0.00 0.00 41.96 39.45 1y1c s TYR 23 CO 0.06 -0.24 1.38 0.78 -1.57 0.00 0.00 175.55 175.96 1y1c h GLY 24 N 8.34 0.00 -4.31 0.71 0.00 -1.85 0.85 103.07 106.81 1y1c h GLY 24 Ca -0.29 0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.12 1y1c h GLY 24 CO 0.84 0.00 0.53 -1.31 0.00 0.00 0.00 176.54 176.60 1y1c s ASN 25 N -3.59 -0.37 0.61 0.19 0.01 -1.22 0.12 114.94 110.68 1y1c s ASN 25 Ca -0.03 0.37 0.28 0.00 -0.71 0.00 0.00 52.86 52.76 1y1c s ASN 25 Cb 0.18 0.32 1.37 0.00 0.41 0.00 0.00 41.25 43.53 1y1c s ASN 25 CO 0.59 -0.38 1.79 0.00 -1.51 0.00 0.00 177.10 177.59 1y1c h ALA 26 N 2.51 2.14 0.00 0.60 0.00 -1.79 0.65 119.26 123.37 1y1c h ALA 26 Ca -0.19 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1y1c h ALA 26 Cb 1.17 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1y1c h ALA 26 CO 0.31 -0.81 -0.15 0.00 0.00 0.00 0.00 179.25 178.60 1y1c h MET 28 N -1.00 0.28 0.12 0.00 2.86 -0.53 2.35 114.93 119.00 1y1c h MET 28 Ca -0.04 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.60 1y1c h MET 28 Cb 0.96 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.53 1y1c h MET 28 CO -0.02 0.18 -0.21 1.25 1.06 0.00 0.00 176.91 179.17 1y1c h LEU 29 N 0.28 -0.58 -1.62 1.22 6.46 0.13 0.52 115.31 121.73 1y1c h LEU 29 Ca 0.63 0.07 0.28 0.00 -0.12 0.00 0.00 57.88 58.73 1y1c h LEU 29 Cb 1.79 0.22 -0.07 0.00 -0.73 0.00 0.00 40.66 41.87 1y1c h LEU 29 CO -0.27 -0.29 0.71 -0.07 -0.62 0.00 0.00 178.44 177.89 1y1c h LEU 30 N -0.39 0.27 -0.55 2.25 3.38 0.44 2.93 115.31 123.64 1y1c h LEU 30 Ca 0.03 0.05 -0.16 0.00 0.09 0.00 0.00 57.88 57.89 1y1c h LEU 30 Cb 0.41 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1y1c h LEU 30 CO -0.11 0.06 -0.71 0.00 0.09 0.00 0.00 178.44 177.77 1y1c h ALA 32 N 1.20 -0.83 -1.54 0.00 0.00 0.94 -1.84 119.26 117.19 1y1c h ALA 32 Ca -0.02 -0.15 0.45 0.00 0.00 0.00 0.00 54.91 55.19 1y1c h ALA 32 Cb 1.26 0.27 -0.07 0.00 0.00 0.00 0.00 17.79 19.25 1y1c h ALA 32 CO 0.10 -0.78 1.09 0.77 0.00 0.00 0.00 179.25 180.43 1y1c h SER 33 N -0.98 0.05 1.34 0.00 0.02 0.12 2.37 113.55 116.47 1y1c h SER 33 Ca -0.07 0.02 -0.10 0.00 -0.84 0.00 0.00 61.79 60.80 1y1c h SER 33 Cb 0.54 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 1y1c h SER 33 CO 0.12 -0.02 -0.48 0.00 -1.14 0.00 0.00 176.83 175.31 1y1c h ALA 34 N 1.27 0.73 -0.29 3.77 0.00 -1.22 -3.38 119.26 120.14 1y1c h ALA 34 Ca 0.76 -0.44 -0.22 0.00 0.00 0.00 0.00 54.91 55.01 1y1c h ALA 34 Cb 2.92 -0.08 -0.36 0.00 0.00 0.00 0.00 17.79 20.28 1y1c h ALA 34 CO -0.07 0.60 -0.98 2.89 0.00 0.00 0.00 179.25 181.69 1y1c n ARG 35 N -3.29 1.35 0.00 0.00 1.85 0.69 -4.98 116.66 112.29 1y1c n ARG 35 Ca 0.01 -2.91 0.00 0.00 -1.00 0.00 0.00 57.85 53.95 1y1c n ARG 35 Cb 0.69 -1.04 0.00 0.00 -1.05 0.00 0.00 32.46 31.06 1y1c n ARG 35 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1y1c n SER 36 N -0.52 0.00 0.00 2.89 2.88 0.44 -4.91 113.62 114.40 1y1c n SER 36 Ca 0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 1y1c n SER 36 Cb 0.86 -0.03 0.00 0.00 -0.75 0.00 0.00 64.21 64.29 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 -1.43 0.00 -4.26 -3.46 2.03 -1.26 -5.08 116.55 103.09 1y1c n ASP 37 Ca 0.00 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.17 1y1c n ASP 37 Cb 0.00 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.30 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 0.48 -0.89 5.18 -4.23 -1.26 -5.07 115.64 109.85 1y1c s THR 38 Ca 0.00 -1.98 -0.25 0.00 -1.18 0.00 0.00 61.69 58.27 1y1c s THR 38 Cb 0.00 -2.38 -0.10 0.00 1.34 0.00 0.00 72.50 71.37 1y1c s THR 38 CO 0.00 -0.22 2.14 -2.16 -0.54 0.00 0.00 174.62 173.85 1y1c s PRO 39 N -4.01 2.08 0.72 3.99 0.04 -1.26 -4.76 135.00 131.80 1y1c s PRO 39 Ca 0.32 -0.04 -0.16 0.00 0.04 0.00 0.00 61.00 61.16 1y1c s PRO 39 Cb 0.07 -4.96 0.03 0.00 0.04 0.00 0.00 34.50 29.68 1y1c s PRO 39 CO 0.09 -3.98 1.23 0.96 0.04 0.00 0.00 177.00 175.33 1y1c s ILE 40 N 12.48 2.21 -0.25 0.56 -4.36 -1.26 -5.00 121.20 125.57 1y1c s ILE 40 Ca 0.80 0.11 -0.04 0.00 -0.26 0.00 0.00 60.65 61.25 1y1c s ILE 40 Cb -0.09 -2.75 0.09 0.00 1.25 0.00 0.00 42.46 40.96 1y1c s ILE 40 CO 0.05 -0.05 0.13 -1.61 0.24 0.00 0.00 174.94 173.70 1y1c s GLU 41 N -3.80 0.16 0.19 0.37 2.02 -1.15 -4.83 118.70 111.64 1y1c s GLU 41 Ca 0.76 -0.35 -0.08 0.00 0.02 0.00 0.00 54.97 55.33 1y1c s GLU 41 Cb -0.31 -1.35 -0.06 0.00 0.10 0.00 0.00 34.13 32.51 1y1c s GLU 41 CO 0.44 -0.90 -0.02 1.28 0.02 0.00 0.00 175.26 176.08 1y1c n LEU 42 N 5.26 -1.35 0.00 1.80 7.99 -1.26 0.75 117.00 130.19 1y1c n LEU 42 Ca -0.06 0.28 0.00 0.00 -0.01 0.00 0.00 56.01 56.22 1y1c n LEU 42 Cb 0.45 -0.34 0.00 0.00 -0.11 0.00 0.00 43.42 43.42 1y1c n LEU 42 CO 0.06 -1.82 0.00 0.55 -1.51 0.00 0.00 177.39 174.67 1y1c n VAL 43 N -0.53 0.00 -3.65 4.08 3.14 0.10 -4.35 118.33 117.12 1y1c n VAL 43 Ca 0.04 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.33 1y1c n VAL 43 Cb 0.18 0.00 -0.10 0.00 -1.06 0.00 0.00 33.84 32.86 1y1c n VAL 43 CO 0.00 0.00 0.00 -1.38 -6.46 0.00 0.00 176.83 168.99 1y1c s HIS 44 N -1.00 -0.77 -0.71 1.45 0.00 -0.84 -5.02 115.29 108.40 1y1c s HIS 44 Ca 0.00 1.45 -0.20 0.00 -3.00 0.00 0.00 55.06 53.32 1y1c s HIS 44 Cb 0.00 0.27 -0.15 0.00 -4.00 0.00 0.00 32.58 28.69 1y1c s HIS 44 CO 0.00 -0.48 1.90 0.36 -1.00 0.00 0.00 174.74 175.52 1y1c n LYS 45 N 5.39 1.43 -3.07 -0.38 2.85 -1.26 0.11 118.16 123.22 1y1c n LYS 45 Ca -0.08 -1.67 0.00 0.00 -1.05 0.00 0.00 58.31 55.51 1y1c n LYS 45 Cb 0.49 -2.78 0.00 0.00 -0.65 0.00 0.00 35.03 32.09 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 4.43 -1.25 2.25 2.58 0.00 -0.37 -4.75 105.19 108.09 1y1c n GLY 46 Ca 0.47 -0.85 -0.31 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.01 3.26 -0.03 1.61 1.74 -1.25 -2.07 116.66 119.91 1y1c n ARG 47 Ca 0.00 -2.00 0.00 0.00 -0.77 0.00 0.00 57.85 55.08 1y1c n ARG 47 Cb 0.00 -2.52 0.00 0.00 -1.02 0.00 0.00 32.46 28.92 1y1c n ARG 47 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11