#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 -0.31 -3.67 1.64 -0.02 -1.26 -5.06 135.00 126.33 1y1c n PRO 2 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.36 1y1c n PRO 2 Cb 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 33.50 33.36 1y1c n PRO 2 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 1y1c s ASP 3 N -1.93 0.12 0.15 2.55 -4.77 -1.26 -5.00 116.67 106.53 1y1c s ASP 3 Ca 0.00 0.72 0.00 0.00 -3.30 0.00 0.00 52.55 49.97 1y1c s ASP 3 Cb 0.00 0.88 0.00 0.00 -1.09 0.00 0.00 42.92 42.71 1y1c s ASP 3 CO 0.00 -0.23 0.00 0.00 0.70 0.00 0.00 175.17 175.64 1y1c n ALA 4 N 5.28 0.00 -1.50 2.11 0.00 -1.15 -4.34 120.51 120.90 1y1c n ALA 4 Ca -0.08 0.00 -0.50 0.00 0.00 0.00 0.00 53.44 52.85 1y1c n ALA 4 Cb 0.50 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.91 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 -3.10 0.50 -3.57 0.00 -0.02 -1.26 -1.23 135.00 126.32 1y1c n PRO 5 Ca 0.00 0.18 -0.27 0.00 -2.02 0.00 0.00 63.50 61.38 1y1c n PRO 5 Cb 0.00 -1.48 -0.11 0.00 -0.02 0.00 0.00 33.50 31.89 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 2.51 1.26 0.05 0.00 -0.00 -1.26 -4.56 119.36 117.36 1y1c n ILE 7 Ca 0.26 -3.94 -0.14 0.00 -0.00 0.00 0.00 62.75 58.93 1y1c n ILE 7 Cb 0.43 -0.09 -0.14 0.00 -0.00 0.00 0.00 39.64 39.85 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 -2.63 0.00 -0.40 0.00 -1.32 -1.26 -5.01 115.64 105.03 1y1c s THR 9 Ca -0.07 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.47 1y1c s THR 9 Cb 0.07 -1.00 0.52 0.00 -1.51 0.00 0.00 72.50 70.59 1y1c s THR 9 CO 0.84 0.00 1.50 0.23 -2.21 0.00 0.00 174.62 174.98 1y1c n MET 10 N 2.61 2.85 0.00 7.08 2.81 -1.26 -4.66 117.12 126.55 1y1c n MET 10 Ca -0.14 -2.14 0.00 0.00 -1.81 0.00 0.00 57.70 53.61 1y1c n MET 10 Cb 0.57 -1.93 0.00 0.00 -0.71 0.00 0.00 33.22 31.14 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 -0.07 0.00 0.00 0.03 6.02 -1.26 -5.10 117.38 117.00 1y1c n GLN 11 Ca 0.30 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.29 1y1c n GLN 11 Cb 1.10 0.00 0.00 0.00 1.02 0.00 0.00 30.24 32.36 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 0.00 0.00 -3.15 1.08 9.36 -1.26 -5.07 117.16 118.12 1y1c n TYR 12 Ca 0.00 0.00 -0.37 0.00 3.32 0.00 0.00 57.90 60.85 1y1c n TYR 12 Cb 0.00 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 38.69 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 5.45 -4.54 2.98 -0.08 0.21 -5.00 116.55 115.58 1y1c n ASP 13 Ca 0.00 -3.43 -0.39 0.00 -1.51 0.00 0.00 54.79 49.45 1y1c n ASP 13 Cb 0.00 -1.04 -0.05 0.00 2.34 0.00 0.00 41.12 42.37 1y1c n ASP 13 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1y1c n PRO 14 N 1.12 1.05 -4.28 -0.67 -0.04 -0.82 -3.30 135.00 128.05 1y1c n PRO 14 Ca 0.28 0.11 -0.34 0.00 -0.04 0.00 0.00 63.50 63.50 1y1c n PRO 14 Cb 0.36 -3.05 -0.10 0.00 -0.04 0.00 0.00 33.50 30.66 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 10.70 4.30 -0.21 0.52 -7.23 0.25 -1.61 120.40 127.12 1y1c s VAL 15 Ca 1.05 -0.23 -0.29 0.00 -1.81 0.00 0.00 61.98 60.70 1y1c s VAL 15 Cb -0.42 -2.87 0.00 0.00 0.56 0.00 0.00 36.38 33.65 1y1c s VAL 15 CO 0.33 0.53 1.12 0.00 -0.31 0.00 0.00 175.10 176.77 1y1c s GLY 17 N 1.48 1.90 -0.86 0.00 0.00 0.36 0.05 107.32 110.25 1y1c s GLY 17 Ca 0.48 -0.81 -0.22 0.00 0.00 0.00 0.00 44.72 44.17 1y1c s GLY 17 CO 0.09 -0.59 2.41 -1.26 0.00 0.00 0.00 173.10 173.75 1y1c n SER 18 N 1.97 0.45 0.00 1.64 2.88 0.21 -1.97 113.62 118.79 1y1c n SER 18 Ca -0.18 -0.57 0.00 0.00 -1.33 0.00 0.00 58.87 56.79 1y1c n SER 18 Cb 0.54 -1.09 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 11.81 0.00 0.00 -3.46 2.03 -1.26 -2.89 116.55 122.78 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 1.62 3.12 0.27 0.00 -0.83 -5.14 105.19 104.23 1y1c n GLY 20 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 0.65 -0.46 -0.61 1.01 -1.21 -5.02 121.20 113.57 1y1c s ILE 21 Ca 0.00 -1.47 -0.06 0.00 0.00 0.00 0.00 60.65 59.12 1y1c s ILE 21 Cb 0.00 -1.11 0.12 0.00 0.01 0.00 0.00 42.46 41.48 1y1c s ILE 21 CO 0.00 -0.59 0.30 -0.89 0.00 0.00 0.00 174.94 173.77 1y1c s THR 22 N -2.35 3.82 -0.05 2.92 2.01 -1.26 -0.49 115.64 120.24 1y1c s THR 22 Ca 0.00 -1.98 -0.26 0.00 0.31 0.00 0.00 61.69 59.76 1y1c s THR 22 Cb -0.03 -3.55 -0.03 0.00 0.01 0.00 0.00 72.50 68.89 1y1c s THR 22 CO -0.02 -0.75 0.82 -0.31 -0.69 0.00 0.00 174.62 173.67 1y1c s TYR 23 N 1.16 3.59 0.59 4.92 2.02 0.93 -4.74 117.35 125.82 1y1c s TYR 23 Ca 0.08 1.42 0.36 0.00 -0.37 0.00 0.00 57.07 58.55 1y1c s TYR 23 Cb -0.24 -2.95 1.27 0.00 -0.40 0.00 0.00 41.96 39.65 1y1c s TYR 23 CO -0.02 0.02 1.46 0.78 -1.57 0.00 0.00 175.55 176.21 1y1c h GLY 24 N 6.95 0.00 -4.73 0.71 0.00 -1.85 0.71 103.07 104.86 1y1c h GLY 24 Ca -0.40 0.00 0.05 0.00 0.00 0.00 0.00 47.33 46.98 1y1c h GLY 24 CO 0.76 0.00 0.44 -1.31 0.00 0.00 0.00 176.54 176.43 1y1c s ASN 25 N -3.81 -0.46 0.60 0.19 0.01 -1.21 0.68 114.94 110.93 1y1c s ASN 25 Ca -0.04 0.67 0.28 0.00 -0.71 0.00 0.00 52.86 53.07 1y1c s ASN 25 Cb 0.19 0.61 1.38 0.00 0.41 0.00 0.00 41.25 43.84 1y1c s ASN 25 CO 0.64 -0.31 1.78 0.00 -1.51 0.00 0.00 177.10 177.70 1y1c h ALA 26 N 3.33 2.29 0.01 0.60 0.00 -1.78 0.58 119.26 124.28 1y1c h ALA 26 Ca -0.23 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1y1c h ALA 26 Cb 1.16 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1y1c h ALA 26 CO 0.24 -0.90 -0.06 0.00 0.00 0.00 0.00 179.25 178.53 1y1c h MET 28 N -0.95 0.36 0.34 0.00 2.86 -0.30 1.51 114.93 118.75 1y1c h MET 28 Ca -0.01 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1y1c h MET 28 Cb 1.04 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.60 1y1c h MET 28 CO 0.01 0.24 -0.37 1.25 1.06 0.00 0.00 176.91 179.09 1y1c h LEU 29 N 0.37 -1.02 -1.71 1.22 6.46 -0.36 0.74 115.31 121.01 1y1c h LEU 29 Ca 0.67 0.09 0.31 0.00 -0.12 0.00 0.00 57.88 58.83 1y1c h LEU 29 Cb 1.65 0.35 -0.07 0.00 -0.73 0.00 0.00 40.66 41.86 1y1c h LEU 29 CO -0.40 -0.51 0.77 -0.07 -0.62 0.00 0.00 178.44 177.61 1y1c h LEU 30 N -0.75 0.20 -0.27 2.25 3.38 0.26 2.89 115.31 123.26 1y1c h LEU 30 Ca -0.02 0.04 -0.20 0.00 0.09 0.00 0.00 57.88 57.79 1y1c h LEU 30 Cb 0.68 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 1y1c h LEU 30 CO -0.08 0.03 -0.88 0.00 0.09 0.00 0.00 178.44 177.59 1y1c h ALA 32 N 1.01 -0.67 -0.96 0.00 0.00 1.10 0.33 119.26 120.06 1y1c h ALA 32 Ca -0.04 -0.19 0.22 0.00 0.00 0.00 0.00 54.91 54.90 1y1c h ALA 32 Cb 1.52 0.26 -0.08 0.00 0.00 0.00 0.00 17.79 19.49 1y1c h ALA 32 CO 0.13 -0.74 0.62 0.77 0.00 0.00 0.00 179.25 180.03 1y1c h SER 33 N -0.95 0.50 0.00 0.00 0.02 -0.10 0.88 113.55 113.91 1y1c h SER 33 Ca -0.07 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1y1c h SER 33 Cb 0.60 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.12 1y1c h SER 33 CO 0.11 0.17 -0.02 0.00 -1.14 0.00 0.00 176.83 175.96 1y1c n ALA 34 N -2.47 2.60 -0.05 3.77 0.00 -1.09 -4.25 120.51 119.02 1y1c n ALA 34 Ca 0.22 -0.46 -0.07 0.00 0.00 0.00 0.00 53.44 53.13 1y1c n ALA 34 Cb 0.72 -1.14 -0.05 0.00 0.00 0.00 0.00 19.45 18.98 1y1c n ALA 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1y1c n ARG 35 N 0.20 0.54 0.00 0.00 1.74 0.25 -5.00 116.66 114.39 1y1c n ARG 35 Ca 0.18 0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.32 1y1c n ARG 35 Cb 0.37 -1.21 0.00 0.00 -1.02 0.00 0.00 32.46 30.60 1y1c n ARG 35 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1y1c n SER 36 N -2.75 0.00 0.00 0.55 2.88 0.19 -5.05 113.62 109.44 1y1c n SER 36 Ca -0.18 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.36 1y1c n SER 36 Cb 0.71 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.17 1y1c n SER 36 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1y1c n ASP 37 N 0.00 0.00 -3.75 -3.46 5.68 -1.26 -5.06 116.55 108.70 1y1c n ASP 37 Ca 0.00 0.00 -0.12 0.00 -0.50 0.00 0.00 54.79 54.17 1y1c n ASP 37 Cb 0.00 0.00 -0.12 0.00 -1.14 0.00 0.00 41.12 39.86 1y1c n ASP 37 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1y1c s THR 38 N 0.00 -0.02 -1.12 2.12 2.01 -1.26 -5.09 115.64 112.28 1y1c s THR 38 Ca 0.00 0.09 -0.22 0.00 0.31 0.00 0.00 61.69 61.86 1y1c s THR 38 Cb 0.00 -0.37 -0.02 0.00 0.01 0.00 0.00 72.50 72.12 1y1c s THR 38 CO 0.00 0.03 1.82 -2.16 -0.69 0.00 0.00 174.62 173.62 1y1c s PRO 39 N 0.80 3.02 0.64 4.92 0.04 -1.26 -4.58 135.00 138.59 1y1c s PRO 39 Ca -0.05 -1.15 -0.15 0.00 0.04 0.00 0.00 61.00 59.68 1y1c s PRO 39 Cb -0.07 -5.29 -0.01 0.00 0.04 0.00 0.00 34.50 29.18 1y1c s PRO 39 CO -0.05 -3.17 1.11 0.96 0.04 0.00 0.00 177.00 175.89 1y1c s ILE 40 N 8.30 3.27 -0.27 0.56 -4.36 -1.26 -4.98 121.20 122.45 1y1c s ILE 40 Ca 0.62 0.61 -0.03 0.00 -0.26 0.00 0.00 60.65 61.59 1y1c s ILE 40 Cb -0.01 -3.14 0.11 0.00 1.25 0.00 0.00 42.46 40.67 1y1c s ILE 40 CO 0.05 -0.35 0.19 -1.61 0.24 0.00 0.00 174.94 173.47 1y1c s GLU 41 N -4.01 0.23 0.26 0.37 2.02 -1.14 -4.83 118.70 111.59 1y1c s GLU 41 Ca 0.67 -0.28 -0.08 0.00 0.02 0.00 0.00 54.97 55.30 1y1c s GLU 41 Cb -0.21 -1.04 -0.07 0.00 0.10 0.00 0.00 34.13 32.91 1y1c s GLU 41 CO 0.40 -0.96 -0.08 -0.11 0.02 0.00 0.00 175.26 174.53 1y1c n LEU 42 N 5.28 -1.82 0.00 1.80 -0.00 -1.26 0.68 117.00 121.68 1y1c n LEU 42 Ca -0.05 0.29 0.00 0.00 -0.00 0.00 0.00 56.01 56.26 1y1c n LEU 42 Cb 0.45 -0.40 0.00 0.00 -0.00 0.00 0.00 43.42 43.47 1y1c n LEU 42 CO 0.04 -2.31 0.00 0.52 -0.00 0.00 0.00 177.39 175.64 1y1c n VAL 43 N -0.75 0.00 -3.66 1.96 0.31 0.11 -4.37 118.33 111.93 1y1c n VAL 43 Ca 0.03 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.29 1y1c n VAL 43 Cb 0.23 -0.04 -0.09 0.00 -0.91 0.00 0.00 33.84 33.03 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 -1.10 -0.85 -0.61 3.52 0.00 -0.96 -5.01 115.29 110.28 1y1c s HIS 44 Ca 0.00 1.61 -0.24 0.00 -3.00 0.00 0.00 55.06 53.43 1y1c s HIS 44 Cb 0.00 0.37 -0.21 0.00 -4.00 0.00 0.00 32.58 28.74 1y1c s HIS 44 CO 0.00 -0.49 1.86 1.63 -1.00 0.00 0.00 174.74 176.73 1y1c n LYS 45 N 5.26 1.18 -3.18 -0.38 4.01 -1.26 0.10 118.16 123.89 1y1c n LYS 45 Ca -0.11 -1.67 0.00 0.00 -0.51 0.00 0.00 58.31 56.03 1y1c n LYS 45 Cb 0.50 -2.83 0.00 0.00 -0.51 0.00 0.00 35.03 32.19 1y1c n LYS 45 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1y1c n GLY 46 N 4.63 -0.90 2.34 0.72 0.00 -0.64 -4.79 105.19 106.56 1y1c n GLY 46 Ca 0.49 -0.78 -0.32 0.00 0.00 0.00 0.00 46.02 45.41 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 3.45 0.00 1.61 1.74 -1.26 -2.55 116.66 119.65 1y1c n ARG 47 Ca 0.00 -2.42 0.00 0.00 -0.77 0.00 0.00 57.85 54.66 1y1c n ARG 47 Cb 0.00 -2.48 0.00 0.00 -1.02 0.00 0.00 32.46 28.96 1y1c n ARG 47 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11