#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 0.02 1.97 0.04 -1.26 -4.95 135.00 130.36 1y1c s PRO 2 Ca 0.00 -0.09 -0.30 0.00 0.04 0.00 0.00 61.00 60.65 1y1c s PRO 2 Cb 0.00 -1.69 -0.07 0.00 0.04 0.00 0.00 34.50 32.78 1y1c s PRO 2 CO 0.00 -3.20 1.60 -0.51 0.04 0.00 0.00 177.00 174.92 1y1c s ASP 3 N -4.13 6.68 -0.26 6.66 1.11 -1.26 -4.91 116.67 120.55 1y1c s ASP 3 Ca 0.71 2.33 -0.01 0.00 0.18 0.00 0.00 52.55 55.76 1y1c s ASP 3 Cb -0.09 -2.55 0.04 0.00 1.07 0.00 0.00 42.92 41.38 1y1c s ASP 3 CO 0.55 -0.86 -0.05 0.00 1.18 0.00 0.00 175.17 175.99 1y1c s ALA 4 N 2.95 2.70 0.19 5.23 0.00 -1.26 -5.09 121.76 126.49 1y1c s ALA 4 Ca 0.71 -1.58 -0.29 0.00 0.00 0.00 0.00 51.96 50.81 1y1c s ALA 4 Cb -0.36 -1.73 -0.17 0.00 0.00 0.00 0.00 23.12 20.86 1y1c s ALA 4 CO 0.30 -0.97 0.68 -2.30 0.00 0.00 0.00 175.76 173.47 1y1c n PRO 5 N 4.63 0.28 -1.96 0.00 -0.02 -1.26 -3.84 135.00 132.82 1y1c n PRO 5 Ca -0.15 0.10 -0.36 0.00 -2.02 0.00 0.00 63.50 61.06 1y1c n PRO 5 Cb 0.45 -1.23 -0.01 0.00 -0.02 0.00 0.00 33.50 32.70 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 0.90 1.24 0.10 0.00 -0.00 -1.26 -4.66 119.36 115.68 1y1c n ILE 7 Ca 0.55 -4.65 -0.23 0.00 -0.00 0.00 0.00 62.75 58.42 1y1c n ILE 7 Cb 0.33 -0.54 -0.14 0.00 -0.00 0.00 0.00 39.64 39.29 1y1c n ILE 7 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1y1c n THR 9 N -3.86 0.00 -1.01 0.00 5.66 -1.26 -5.01 114.28 108.80 1y1c n THR 9 Ca -0.15 0.00 0.06 0.00 -3.05 0.00 0.00 64.05 60.91 1y1c n THR 9 Cb 0.98 0.00 0.08 0.00 -1.55 0.00 0.00 70.33 69.85 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 1.35 -0.83 1.09 2.81 -1.26 -4.87 117.12 115.41 1y1c n MET 10 Ca 0.00 -2.02 -0.23 0.00 -1.81 0.00 0.00 57.70 53.63 1y1c n MET 10 Cb 0.00 -1.20 -0.03 0.00 -0.71 0.00 0.00 33.22 31.28 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 -0.96 2.29 -0.32 0.03 -0.06 -1.26 -4.84 117.38 112.25 1y1c n GLN 11 Ca 0.10 -1.49 -0.03 0.00 -2.00 0.00 0.00 57.00 53.58 1y1c n GLN 11 Cb 0.57 -2.44 -0.03 0.00 -4.06 0.00 0.00 30.24 24.28 1y1c n GLN 11 CO 0.00 0.00 0.00 0.98 -0.20 0.00 0.00 177.06 177.84 1y1c n TYR 12 N 3.90 0.00 -3.07 3.69 9.36 -1.26 -4.73 117.16 125.04 1y1c n TYR 12 Ca 0.49 0.00 -0.31 0.00 3.32 0.00 0.00 57.90 61.40 1y1c n TYR 12 Cb 0.21 -0.13 -0.04 0.00 -0.63 0.00 0.00 39.34 38.75 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 1.29 4.87 -4.53 2.98 -0.08 0.20 -5.01 116.55 116.27 1y1c n ASP 13 Ca 0.08 -3.57 -0.34 0.00 -1.51 0.00 0.00 54.79 49.45 1y1c n ASP 13 Cb 0.09 -0.77 -0.09 0.00 2.34 0.00 0.00 41.12 42.69 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 0.34 0.55 -3.67 -0.67 -0.04 -0.81 -3.48 135.00 127.23 1y1c n PRO 14 Ca 0.32 -0.11 -0.36 0.00 -0.04 0.00 0.00 63.50 63.32 1y1c n PRO 14 Cb 0.37 -2.64 -0.09 0.00 -0.04 0.00 0.00 33.50 31.11 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 10.50 5.37 -0.17 0.52 -7.23 0.26 -1.40 120.40 128.25 1y1c s VAL 15 Ca 1.13 0.23 -0.29 0.00 -1.81 0.00 0.00 61.98 61.24 1y1c s VAL 15 Cb -0.58 -3.51 -0.00 0.00 0.56 0.00 0.00 36.38 32.85 1y1c s VAL 15 CO 0.34 0.38 1.11 0.00 -0.31 0.00 0.00 175.10 176.62 1y1c s GLY 17 N 1.42 1.61 -1.00 0.00 0.00 -0.54 -0.16 107.32 108.65 1y1c s GLY 17 Ca 0.49 -1.04 -0.27 0.00 0.00 0.00 0.00 44.72 43.90 1y1c s GLY 17 CO 0.12 -0.87 2.59 -1.26 0.00 0.00 0.00 173.10 173.68 1y1c n SER 18 N 1.91 -0.05 0.00 1.64 2.88 0.23 -1.59 113.62 118.64 1y1c n SER 18 Ca -0.16 0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.41 1y1c n SER 18 Cb 0.52 -0.85 0.00 0.00 -0.75 0.00 0.00 64.21 63.14 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 9.54 0.00 0.00 -3.46 2.03 -1.26 -2.91 116.55 120.49 1y1c n ASP 19 Ca 0.66 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.97 1y1c n ASP 19 Cb 0.05 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.45 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 1.18 3.20 0.27 0.00 -0.62 -5.08 105.19 104.14 1y1c n GLY 20 Ca 0.00 -0.29 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 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 2.32 -0.73 -0.61 1.09 -1.20 -4.98 121.20 115.09 1y1c s ILE 21 Ca 0.00 -0.89 -0.23 0.00 -1.10 0.00 0.00 60.65 58.43 1y1c s ILE 21 Cb 0.00 -1.95 0.07 0.00 -1.06 0.00 0.00 42.46 39.52 1y1c s ILE 21 CO 0.00 0.53 1.07 -0.89 -0.10 0.00 0.00 174.94 175.55 1y1c s THR 22 N 0.88 4.24 -0.14 2.92 2.01 -1.26 -1.47 115.64 122.83 1y1c s THR 22 Ca -0.05 -0.40 -0.29 0.00 0.31 0.00 0.00 61.69 61.26 1y1c s THR 22 Cb -0.15 -4.76 -0.01 0.00 0.01 0.00 0.00 72.50 67.59 1y1c s THR 22 CO -0.02 -1.56 1.04 -0.31 -0.69 0.00 0.00 174.62 173.07 1y1c s TYR 23 N 4.24 3.42 0.51 4.92 2.02 0.94 -4.70 117.35 128.70 1y1c s TYR 23 Ca 0.27 1.51 0.35 0.00 -0.37 0.00 0.00 57.07 58.83 1y1c s TYR 23 Cb -0.13 -3.24 1.20 0.00 -0.40 0.00 0.00 41.96 39.39 1y1c s TYR 23 CO 0.07 -0.43 1.27 0.41 -1.57 0.00 0.00 175.55 175.30 1y1c n GLY 24 N 3.19 -0.78 3.60 0.71 0.00 -1.26 0.92 105.19 111.57 1y1c n GLY 24 Ca 0.10 0.48 -0.05 0.00 0.00 0.00 0.00 46.02 46.55 1y1c n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y1c s ASN 25 N -3.66 -0.17 0.63 1.61 2.20 -1.23 0.61 114.94 114.93 1y1c s ASN 25 Ca -0.03 0.09 0.24 0.00 -0.94 0.00 0.00 52.86 52.22 1y1c s ASN 25 Cb 0.19 0.16 1.19 0.00 -2.00 0.00 0.00 41.25 40.79 1y1c s ASN 25 CO 0.62 -0.23 1.65 0.00 -2.94 0.00 0.00 177.10 176.20 1y1c h ALA 26 N 2.13 2.04 0.07 3.54 0.00 -1.79 0.52 119.26 125.77 1y1c h ALA 26 Ca -0.11 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.61 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 0.25 -0.83 -0.85 0.00 0.00 0.00 0.00 179.25 177.81 1y1c h MET 28 N -0.64 0.35 -0.19 0.00 2.86 -0.37 2.13 114.93 119.08 1y1c h MET 28 Ca -0.19 -0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.47 1y1c h MET 28 Cb 1.44 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 32.98 1y1c h MET 28 CO 0.02 0.23 -0.06 1.25 1.06 0.00 0.00 176.91 179.41 1y1c h LEU 29 N 0.36 -0.21 -1.94 1.22 6.46 -0.74 0.35 115.31 120.81 1y1c h LEU 29 Ca 0.60 0.06 0.34 0.00 -0.12 0.00 0.00 57.88 58.76 1y1c h LEU 29 Cb 1.58 0.13 -0.05 0.00 -0.73 0.00 0.00 40.66 41.59 1y1c h LEU 29 CO -0.29 -0.08 0.83 -0.07 -0.62 0.00 0.00 178.44 178.21 1y1c h LEU 30 N -0.02 0.04 -0.39 2.25 3.38 0.39 2.67 115.31 123.63 1y1c h LEU 30 Ca 0.09 0.01 -0.19 0.00 0.09 0.00 0.00 57.88 57.89 1y1c h LEU 30 Cb 0.16 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1y1c h LEU 30 CO -0.21 0.01 -0.71 0.00 0.09 0.00 0.00 178.44 177.61 1y1c h ALA 32 N 0.90 -0.67 0.00 0.00 0.00 0.53 0.31 119.26 120.33 1y1c h ALA 32 Ca -0.03 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1y1c h ALA 32 Cb 1.29 0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.34 1y1c h ALA 32 CO 0.13 -0.68 0.00 0.77 0.00 0.00 0.00 179.25 179.46 1y1c h SER 33 N -1.05 0.00 0.18 0.00 0.02 -0.36 0.92 113.55 113.26 1y1c h SER 33 Ca -0.07 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.53 1y1c h SER 33 Cb 0.59 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.11 1y1c h SER 33 CO 0.11 0.00 -1.98 0.00 -1.14 0.00 0.00 176.83 173.82 1y1c n ALA 34 N -1.90 1.02 -2.74 3.77 0.00 -0.51 -4.72 120.51 115.43 1y1c n ALA 34 Ca -0.02 -0.65 -0.03 0.00 0.00 0.00 0.00 53.44 52.75 1y1c n ALA 34 Cb 0.08 -0.68 0.08 0.00 0.00 0.00 0.00 19.45 18.93 1y1c n ALA 34 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1y1c n ARG 35 N -3.39 1.45 0.00 0.00 -4.01 0.11 -4.88 116.66 105.94 1y1c n ARG 35 Ca -0.30 -2.44 0.00 0.00 -1.04 0.00 0.00 57.85 54.07 1y1c n ARG 35 Cb 1.05 -0.64 0.00 0.00 -3.04 0.00 0.00 32.46 29.83 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 -0.86 0.00 0.00 2.89 2.88 0.31 -4.87 113.62 113.97 1y1c n SER 36 Ca -0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.51 1y1c n SER 36 Cb 0.84 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.30 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 -1.11 0.00 -3.89 -3.46 5.68 -1.26 -5.10 116.55 107.42 1y1c n ASP 37 Ca 0.00 0.00 -0.10 0.00 -0.50 0.00 0.00 54.79 54.19 1y1c n ASP 37 Cb 0.00 0.00 -0.09 0.00 -1.14 0.00 0.00 41.12 39.89 1y1c n ASP 37 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 1y1c s THR 38 N -0.89 0.12 -1.12 2.12 -4.23 -1.26 -5.07 115.64 105.30 1y1c s THR 38 Ca 0.00 -0.97 -0.24 0.00 -1.18 0.00 0.00 61.69 59.30 1y1c s THR 38 Cb 0.00 -0.84 -0.13 0.00 1.34 0.00 0.00 72.50 72.87 1y1c s THR 38 CO 0.00 -0.53 2.01 -2.16 -0.54 0.00 0.00 174.62 173.40 1y1c s PRO 39 N -2.43 2.04 1.14 3.99 0.04 -1.26 -4.69 135.00 133.83 1y1c s PRO 39 Ca -0.06 -0.82 -0.17 0.00 0.04 0.00 0.00 61.00 59.99 1y1c s PRO 39 Cb -0.02 -5.13 0.16 0.00 0.04 0.00 0.00 34.50 29.55 1y1c s PRO 39 CO -0.03 -4.45 0.32 0.44 0.04 0.00 0.00 177.00 173.32 1y1c n ILE 40 N 8.24 0.00 -3.37 0.56 -0.00 -1.26 -5.02 119.36 118.50 1y1c n ILE 40 Ca 0.43 -0.35 -0.15 0.00 -0.00 0.00 0.00 62.75 62.69 1y1c n ILE 40 Cb 0.47 -0.72 -0.09 0.00 -0.00 0.00 0.00 39.64 39.29 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 -3.74 0.34 0.25 6.28 2.02 -1.15 -4.83 118.70 117.88 1y1c s GLU 41 Ca 0.60 -0.02 -0.11 0.00 0.02 0.00 0.00 54.97 55.46 1y1c s GLU 41 Cb -0.16 -0.57 -0.08 0.00 0.10 0.00 0.00 34.13 33.41 1y1c s GLU 41 CO 0.66 -1.00 -0.02 1.28 0.02 0.00 0.00 175.26 176.20 1y1c n LEU 42 N 5.33 -1.83 0.00 1.80 7.99 -1.26 0.76 117.00 129.78 1y1c n LEU 42 Ca -0.02 0.40 0.00 0.00 -0.01 0.00 0.00 56.01 56.38 1y1c n LEU 42 Cb 0.47 -0.48 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 1y1c n LEU 42 CO 0.00 -2.50 0.00 0.52 -1.51 0.00 0.00 177.39 173.90 1y1c n VAL 43 N -0.71 0.00 -3.66 4.08 0.31 0.78 -4.44 118.33 114.68 1y1c n VAL 43 Ca 0.05 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.27 1y1c n VAL 43 Cb 0.24 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 33.06 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 -1.00 -0.57 -0.77 3.52 0.00 -0.88 -5.02 115.29 110.57 1y1c s HIS 44 Ca 0.00 1.19 -0.16 0.00 -3.00 0.00 0.00 55.06 53.08 1y1c s HIS 44 Cb 0.00 0.10 -0.12 0.00 -4.00 0.00 0.00 32.58 28.56 1y1c s HIS 44 CO 0.00 -0.40 1.95 1.63 -1.00 0.00 0.00 174.74 176.92 1y1c n LYS 45 N 5.33 1.61 -3.02 -0.38 5.02 -1.26 0.72 118.16 126.18 1y1c n LYS 45 Ca -0.08 -1.66 0.00 0.00 -2.02 0.00 0.00 58.31 54.56 1y1c n LYS 45 Cb 0.50 -2.73 0.00 0.00 -0.02 0.00 0.00 35.03 32.78 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 4.28 -0.58 2.47 0.72 0.00 -0.49 -4.80 105.19 106.79 1y1c n GLY 46 Ca 0.46 -0.60 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 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 3.52 -0.07 1.61 1.74 -1.26 -2.27 116.66 119.93 1y1c n ARG 47 Ca 0.00 -2.88 0.00 0.00 -0.77 0.00 0.00 57.85 54.20 1y1c n ARG 47 Cb 0.00 -2.39 0.00 0.00 -1.02 0.00 0.00 32.46 29.05 1y1c n ARG 47 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11