#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 -1.08 0.00 1.64 0.04 -1.26 -5.04 135.00 129.30 1y1c s PRO 2 Ca 0.00 0.06 0.00 0.00 0.04 0.00 0.00 61.00 61.10 1y1c s PRO 2 Cb 0.00 -1.60 0.00 0.00 0.04 0.00 0.00 34.50 32.94 1y1c s PRO 2 CO 0.00 -3.64 0.00 -0.40 0.04 0.00 0.00 177.00 173.00 1y1c n ASP 3 N -4.74 0.00 0.08 6.66 5.75 -1.26 -5.06 116.55 117.98 1y1c n ASP 3 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.89 1y1c n ASP 3 Cb 0.59 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.68 1y1c n ASP 3 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1y1c n ALA 4 N 0.00 0.00 -1.69 2.12 0.00 -1.10 -4.16 120.51 115.68 1y1c n ALA 4 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 1y1c n ALA 4 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 1y1c n ALA 4 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1y1c n PRO 5 N -2.79 1.27 -3.32 0.00 -0.04 -1.26 -2.68 135.00 126.19 1y1c n PRO 5 Ca 0.00 0.48 -0.25 0.00 -0.04 0.00 0.00 63.50 63.68 1y1c n PRO 5 Cb 0.00 -2.39 -0.09 0.00 -0.04 0.00 0.00 33.50 30.99 1y1c n PRO 5 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1y1c n ILE 7 N 2.48 0.78 -0.00 0.00 -0.00 -1.26 -4.45 119.36 116.91 1y1c n ILE 7 Ca 0.27 -4.82 -0.15 0.00 -0.00 0.00 0.00 62.75 58.05 1y1c n ILE 7 Cb 0.50 -0.87 -0.14 0.00 -0.00 0.00 0.00 39.64 39.12 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 -2.58 0.00 -0.79 0.00 -1.32 -1.26 -5.01 115.64 104.67 1y1c s THR 9 Ca -0.12 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.42 1y1c s THR 9 Cb 0.07 -1.00 0.34 0.00 -1.51 0.00 0.00 72.50 70.40 1y1c s THR 9 CO 0.80 0.00 1.04 0.23 -2.21 0.00 0.00 174.62 174.48 1y1c n MET 10 N 3.64 2.56 0.00 7.08 0.00 -1.26 -4.59 117.12 124.54 1y1c n MET 10 Ca -0.18 -1.30 0.00 0.00 0.00 0.00 0.00 57.70 56.22 1y1c n MET 10 Cb 0.58 -1.77 0.00 0.00 0.00 0.00 0.00 33.22 32.02 1y1c n MET 10 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 1y1c n GLN 11 N 0.27 0.00 0.00 0.03 3.00 -1.26 -5.10 117.38 114.33 1y1c n GLN 11 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.10 1y1c n GLN 11 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.85 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 0.00 0.00 -3.15 1.08 4.19 -1.26 -5.07 117.16 112.95 1y1c n TYR 12 Ca 0.00 0.00 -0.36 0.00 3.31 0.00 0.00 57.90 60.85 1y1c n TYR 12 Cb 0.00 0.00 -0.03 0.00 0.49 0.00 0.00 39.34 39.80 1y1c n TYR 12 CO 0.00 0.00 0.00 -3.47 0.91 0.00 0.00 176.86 174.30 1y1c n ASP 13 N 0.00 5.34 -4.53 2.98 2.03 0.19 -5.00 116.55 117.55 1y1c n ASP 13 Ca 0.00 -3.46 -0.41 0.00 0.52 0.00 0.00 54.79 51.44 1y1c n ASP 13 Cb 0.00 -0.99 -0.05 0.00 -0.72 0.00 0.00 41.12 39.35 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 0.98 1.14 -4.40 -0.67 -0.04 0.16 -3.40 135.00 128.77 1y1c n PRO 14 Ca 0.29 0.18 -0.34 0.00 -0.04 0.00 0.00 63.50 63.59 1y1c n PRO 14 Cb 0.36 -2.97 -0.11 0.00 -0.04 0.00 0.00 33.50 30.74 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 9.93 4.02 -0.18 0.52 -7.23 0.32 -1.77 120.40 126.01 1y1c s VAL 15 Ca 1.06 -0.33 -0.29 0.00 -1.81 0.00 0.00 61.98 60.61 1y1c s VAL 15 Cb -0.48 -2.73 -0.00 0.00 0.56 0.00 0.00 36.38 33.72 1y1c s VAL 15 CO 0.36 0.53 1.09 0.00 -0.31 0.00 0.00 175.10 176.77 1y1c s GLY 17 N 1.34 1.81 -0.84 0.00 0.00 0.05 0.23 107.32 109.91 1y1c s GLY 17 Ca 0.48 -0.86 -0.23 0.00 0.00 0.00 0.00 44.72 44.11 1y1c s GLY 17 CO 0.11 -0.65 2.44 1.44 0.00 0.00 0.00 173.10 176.45 1y1c n SER 18 N 2.02 0.63 0.00 1.64 7.64 0.20 -1.87 113.62 123.89 1y1c n SER 18 Ca -0.18 -0.50 0.00 0.00 1.01 0.00 0.00 58.87 59.20 1y1c n SER 18 Cb 0.53 -1.13 0.00 0.00 -1.01 0.00 0.00 64.21 62.60 1y1c n SER 18 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1y1c n ASP 19 N 12.19 0.00 0.00 6.43 8.00 -1.26 -2.80 116.55 139.11 1y1c n ASP 19 Ca 0.56 0.00 0.00 0.00 0.71 0.00 0.00 54.79 56.06 1y1c n ASP 19 Cb 0.26 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.36 1y1c n ASP 19 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1y1c n GLY 20 N 0.00 1.66 2.91 0.44 0.00 -0.78 -5.12 105.19 104.30 1y1c n GLY 20 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 0.33 -0.56 -0.61 -1.09 -1.20 -5.01 121.20 111.05 1y1c s ILE 21 Ca 0.00 -0.12 -0.19 0.00 -2.23 0.00 0.00 60.65 58.11 1y1c s ILE 21 Cb 0.00 -0.32 0.09 0.00 -1.58 0.00 0.00 42.46 40.65 1y1c s ILE 21 CO 0.00 0.12 0.66 -0.89 -1.23 0.00 0.00 174.94 173.60 1y1c s THR 22 N 0.24 4.87 -0.10 2.92 2.01 -1.26 -0.77 115.64 123.54 1y1c s THR 22 Ca -0.02 -0.87 -0.26 0.00 0.31 0.00 0.00 61.69 60.85 1y1c s THR 22 Cb -0.06 -4.42 -0.03 0.00 0.01 0.00 0.00 72.50 68.01 1y1c s THR 22 CO -0.00 -1.00 0.81 -0.31 -0.69 0.00 0.00 174.62 173.42 1y1c s TYR 23 N 2.59 3.52 0.55 4.92 2.02 0.80 -4.77 117.35 126.98 1y1c s TYR 23 Ca 0.12 1.34 0.46 0.00 -0.37 0.00 0.00 57.07 58.61 1y1c s TYR 23 Cb -0.23 -2.96 1.67 0.00 -0.40 0.00 0.00 41.96 40.04 1y1c s TYR 23 CO 0.08 -0.08 1.65 0.78 -1.57 0.00 0.00 175.55 176.41 1y1c h GLY 24 N 7.47 0.00 -4.60 0.71 0.00 -1.84 0.92 103.07 105.73 1y1c h GLY 24 Ca -0.36 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 46.93 1y1c h GLY 24 CO 0.79 0.00 0.16 -1.31 0.00 0.00 0.00 176.54 176.18 1y1c s ASN 25 N -4.33 -0.70 0.61 0.19 -0.87 -1.22 0.54 114.94 109.15 1y1c s ASN 25 Ca -0.05 1.14 0.27 0.00 -1.57 0.00 0.00 52.86 52.65 1y1c s ASN 25 Cb 0.25 1.07 1.34 0.00 -0.02 0.00 0.00 41.25 43.90 1y1c s ASN 25 CO 0.86 -0.39 1.76 0.00 -2.57 0.00 0.00 177.10 176.76 1y1c h ALA 26 N 4.16 2.13 0.00 0.60 0.00 -1.78 0.48 119.26 124.85 1y1c h ALA 26 Ca -0.28 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1y1c h ALA 26 Cb 1.15 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1y1c h ALA 26 CO 0.19 -0.82 -0.06 0.00 0.00 0.00 0.00 179.25 178.56 1y1c h MET 28 N -1.00 0.18 0.41 0.00 2.07 -0.43 2.26 114.93 118.42 1y1c h MET 28 Ca -0.02 -0.01 -0.01 0.00 -2.07 0.00 0.00 59.70 57.59 1y1c h MET 28 Cb 0.99 -0.04 -0.01 0.00 -1.87 0.00 0.00 31.60 30.67 1y1c h MET 28 CO -0.01 0.12 -0.27 1.25 1.07 0.00 0.00 176.91 179.06 1y1c h LEU 29 N 0.18 -0.70 -1.75 1.22 6.46 -0.59 0.66 115.31 120.79 1y1c h LEU 29 Ca 0.65 0.05 0.30 0.00 -0.12 0.00 0.00 57.88 58.76 1y1c h LEU 29 Cb 2.08 0.21 -0.06 0.00 -0.73 0.00 0.00 40.66 42.16 1y1c h LEU 29 CO -0.21 -0.43 0.76 -0.07 -0.62 0.00 0.00 178.44 177.87 1y1c h LEU 30 N -0.67 0.17 -0.30 2.25 3.38 0.42 2.89 115.31 123.46 1y1c h LEU 30 Ca -0.04 0.03 -0.19 0.00 0.09 0.00 0.00 57.88 57.77 1y1c h LEU 30 Cb 0.56 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1y1c h LEU 30 CO 0.03 0.03 -0.87 0.00 0.09 0.00 0.00 178.44 177.72 1y1c h ALA 32 N 1.02 -0.87 -1.03 0.00 0.00 1.05 0.32 119.26 119.76 1y1c h ALA 32 Ca -0.04 -0.20 0.27 0.00 0.00 0.00 0.00 54.91 54.94 1y1c h ALA 32 Cb 1.50 0.34 -0.08 0.00 0.00 0.00 0.00 17.79 19.55 1y1c h ALA 32 CO 0.13 -0.84 0.69 0.77 0.00 0.00 0.00 179.25 179.99 1y1c h SER 33 N -1.16 0.32 0.23 0.00 0.02 -0.11 0.99 113.55 113.82 1y1c h SER 33 Ca -0.09 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 1y1c h SER 33 Cb 0.69 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.24 1y1c h SER 33 CO 0.15 0.08 -0.26 0.00 -1.14 0.00 0.00 176.83 175.65 1y1c n ALA 34 N -2.56 3.09 -0.13 3.77 0.00 -1.06 -4.17 120.51 119.45 1y1c n ALA 34 Ca 0.24 -0.41 -0.27 0.00 0.00 0.00 0.00 53.44 52.99 1y1c n ALA 34 Cb 0.92 -1.12 -0.10 0.00 0.00 0.00 0.00 19.45 19.15 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 -0.62 0.57 0.00 0.00 1.74 0.32 -4.94 116.66 113.73 1y1c n ARG 35 Ca 0.12 0.24 0.00 0.00 -0.77 0.00 0.00 57.85 57.44 1y1c n ARG 35 Cb 0.35 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 30.34 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 -4.09 0.00 0.00 0.55 2.88 0.34 -5.06 113.62 108.24 1y1c n SER 36 Ca -0.52 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.02 1y1c n SER 36 Cb 0.89 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.35 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 -4.72 -3.46 2.03 -1.26 -5.07 116.55 104.07 1y1c n ASP 37 Ca 0.00 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.90 1y1c n ASP 37 Cb 0.00 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.36 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 4.57 -1.02 5.18 -4.23 -1.26 -4.97 115.64 113.90 1y1c s THR 38 Ca 0.00 2.02 -0.23 0.00 -1.18 0.00 0.00 61.69 62.30 1y1c s THR 38 Cb 0.00 -4.29 0.00 0.00 1.34 0.00 0.00 72.50 69.55 1y1c s THR 38 CO 0.00 0.25 1.71 -2.16 -0.54 0.00 0.00 174.62 173.88 1y1c s PRO 39 N 0.36 3.15 0.65 3.99 0.04 -1.26 -4.65 135.00 137.29 1y1c s PRO 39 Ca 0.49 -0.92 -0.14 0.00 0.04 0.00 0.00 61.00 60.47 1y1c s PRO 39 Cb -0.23 -5.26 -0.01 0.00 0.04 0.00 0.00 34.50 29.04 1y1c s PRO 39 CO 0.29 -2.81 1.09 0.96 0.04 0.00 0.00 177.00 176.57 1y1c s ILE 40 N 7.33 3.51 -0.25 0.56 -4.36 -1.26 -4.98 121.20 121.74 1y1c s ILE 40 Ca 0.58 0.66 -0.02 0.00 -0.26 0.00 0.00 60.65 61.61 1y1c s ILE 40 Cb -0.02 -3.20 0.12 0.00 1.25 0.00 0.00 42.46 40.61 1y1c s ILE 40 CO -0.02 -0.47 0.26 -1.61 0.24 0.00 0.00 174.94 173.33 1y1c s GLU 41 N -4.26 0.26 0.17 0.37 2.02 -1.12 -4.84 118.70 111.30 1y1c s GLU 41 Ca 0.64 -0.00 -0.07 0.00 0.02 0.00 0.00 54.97 55.56 1y1c s GLU 41 Cb -0.18 -0.90 -0.06 0.00 0.10 0.00 0.00 34.13 33.09 1y1c s GLU 41 CO 0.43 -0.86 -0.01 1.28 0.02 0.00 0.00 175.26 176.12 1y1c n LEU 42 N 5.31 -1.23 0.00 1.80 7.99 -1.26 0.62 117.00 130.23 1y1c n LEU 42 Ca -0.04 0.27 0.00 0.00 -0.01 0.00 0.00 56.01 56.23 1y1c n LEU 42 Cb 0.47 -0.32 0.00 0.00 -0.11 0.00 0.00 43.42 43.46 1y1c n LEU 42 CO 0.04 -1.69 -0.06 0.52 -1.51 0.00 0.00 177.39 174.69 1y1c n VAL 43 N -0.48 0.00 -3.67 4.08 0.31 0.14 -4.32 118.33 114.38 1y1c n VAL 43 Ca 0.04 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.28 1y1c n VAL 43 Cb 0.16 -0.08 -0.09 0.00 -0.91 0.00 0.00 33.84 32.92 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 -1.13 -0.83 -0.89 3.52 0.00 -0.92 -5.02 115.29 110.03 1y1c s HIS 44 Ca 0.00 1.63 -0.08 0.00 -3.00 0.00 0.00 55.06 53.61 1y1c s HIS 44 Cb 0.00 0.40 -0.06 0.00 -4.00 0.00 0.00 32.58 28.92 1y1c s HIS 44 CO 0.00 -0.46 2.07 1.63 -1.00 0.00 0.00 174.74 176.98 1y1c n LYS 45 N 4.76 1.98 -0.44 -0.38 5.02 -1.26 0.77 118.16 128.61 1y1c n LYS 45 Ca -0.17 -1.50 0.00 0.00 -2.02 0.00 0.00 58.31 54.62 1y1c n LYS 45 Cb 0.53 -2.51 0.00 0.00 -0.02 0.00 0.00 35.03 33.03 1y1c n LYS 45 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1y1c n GLY 46 N 3.88 0.79 2.42 0.72 0.00 -0.73 -4.77 105.19 107.50 1y1c n GLY 46 Ca 0.45 -0.65 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 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 3.71 -0.09 1.61 1.74 -1.25 -1.60 116.66 120.77 1y1c n ARG 47 Ca 0.00 -2.80 0.00 0.00 -0.77 0.00 0.00 57.85 54.28 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