#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 -0.55 -1.41 1.64 -0.02 -1.26 -4.69 135.00 128.70 1y1c n PRO 2 Ca 0.00 0.00 -0.51 0.00 -2.02 0.00 0.00 63.50 60.97 1y1c n PRO 2 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 33.50 33.39 1y1c n PRO 2 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1y1c n ASP 3 N -1.58 1.61 -4.37 2.55 5.75 -1.26 -4.92 116.55 114.33 1y1c n ASP 3 Ca 0.00 0.39 -0.28 0.00 -0.01 0.00 0.00 54.79 54.90 1y1c n ASP 3 Cb 0.00 -1.16 -0.13 0.00 -1.03 0.00 0.00 41.12 38.80 1y1c n ASP 3 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1y1c s ALA 4 N 7.50 2.28 0.84 2.12 0.00 -1.26 -5.07 121.76 128.17 1y1c s ALA 4 Ca 1.14 -1.45 -0.12 0.00 0.00 0.00 0.00 51.96 51.53 1y1c s ALA 4 Cb -1.01 -0.34 0.10 0.00 0.00 0.00 0.00 23.12 21.87 1y1c s ALA 4 CO 0.52 0.48 1.16 -1.25 0.00 0.00 0.00 175.76 176.67 1y1c s PRO 5 N -2.13 1.53 -0.75 0.00 0.04 -1.26 -3.74 135.00 128.69 1y1c s PRO 5 Ca 0.14 1.59 0.03 0.00 0.04 0.00 0.00 61.00 62.80 1y1c s PRO 5 Cb -0.10 -1.78 0.24 0.00 0.04 0.00 0.00 34.50 32.91 1y1c s PRO 5 CO 0.06 -2.26 0.83 0.00 0.04 0.00 0.00 177.00 175.67 1y1c n ILE 7 N 1.25 0.87 0.12 0.00 5.41 -1.26 -4.47 119.36 121.29 1y1c n ILE 7 Ca 0.27 -4.13 -0.21 0.00 1.00 0.00 0.00 62.75 59.68 1y1c n ILE 7 Cb 0.38 -0.12 -0.14 0.00 -0.71 0.00 0.00 39.64 39.05 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 -2.69 0.00 -0.52 0.00 -1.32 -1.26 -5.01 115.64 104.84 1y1c s THR 9 Ca -0.07 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 60.49 1y1c s THR 9 Cb 0.06 -1.00 0.47 0.00 -1.51 0.00 0.00 72.50 70.52 1y1c s THR 9 CO 0.92 0.00 1.27 0.23 -2.21 0.00 0.00 174.62 174.83 1y1c n MET 10 N 1.76 3.13 0.00 7.08 2.81 -1.26 -4.70 117.12 125.94 1y1c n MET 10 Ca -0.11 -1.85 0.00 0.00 -1.81 0.00 0.00 57.70 53.93 1y1c n MET 10 Cb 0.57 -1.93 0.00 0.00 -0.71 0.00 0.00 33.22 31.15 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 0.27 0.00 0.00 0.03 1.13 -1.26 -5.07 117.38 112.48 1y1c n GLN 11 Ca 0.18 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.24 1y1c n GLN 11 Cb 0.85 0.00 0.00 0.00 0.11 0.00 0.00 30.24 31.20 1y1c n GLN 11 CO 0.00 0.00 0.00 0.98 -1.44 0.00 0.00 177.06 176.60 1y1c n TYR 12 N 0.00 0.00 -3.08 1.08 4.19 -1.26 -5.07 117.16 113.02 1y1c n TYR 12 Ca 0.00 0.00 -0.37 0.00 3.31 0.00 0.00 57.90 60.84 1y1c n TYR 12 Cb 0.00 0.00 -0.02 0.00 0.49 0.00 0.00 39.34 39.81 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 5.68 -4.55 2.98 -0.08 0.24 -5.00 116.55 115.82 1y1c n ASP 13 Ca 0.00 -3.47 -0.30 0.00 -1.51 0.00 0.00 54.79 49.51 1y1c n ASP 13 Cb 0.00 -1.05 -0.05 0.00 2.34 0.00 0.00 41.12 42.36 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 0.94 0.86 -3.73 -0.67 -0.04 -0.79 -3.04 135.00 128.53 1y1c n PRO 14 Ca 0.30 -0.24 -0.35 0.00 -0.04 0.00 0.00 63.50 63.16 1y1c n PRO 14 Cb 0.35 -3.42 -0.08 0.00 -0.04 0.00 0.00 33.50 30.31 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 12.71 5.41 -0.24 0.52 -7.23 0.27 -0.87 120.40 130.97 1y1c s VAL 15 Ca 0.99 0.22 -0.29 0.00 -1.81 0.00 0.00 61.98 61.09 1y1c s VAL 15 Cb -0.21 -3.48 0.01 0.00 0.56 0.00 0.00 36.38 33.26 1y1c s VAL 15 CO 0.22 0.45 1.09 0.00 -0.31 0.00 0.00 175.10 176.56 1y1c s GLY 17 N 1.48 1.80 -0.91 0.00 0.00 -0.59 -0.39 107.32 108.72 1y1c s GLY 17 Ca 0.47 -0.82 -0.24 0.00 0.00 0.00 0.00 44.72 44.13 1y1c s GLY 17 CO 0.10 -0.39 2.48 -1.26 0.00 0.00 0.00 173.10 174.03 1y1c n SER 18 N 2.66 0.23 0.00 1.64 2.88 0.17 -1.76 113.62 119.43 1y1c n SER 18 Ca -0.18 -0.28 0.00 0.00 -1.33 0.00 0.00 58.87 57.08 1y1c n SER 18 Cb 0.53 -0.98 0.00 0.00 -0.75 0.00 0.00 64.21 63.02 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 10.63 0.00 0.00 -3.46 -0.08 -1.26 -2.93 116.55 119.46 1y1c n ASP 19 Ca 0.61 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.89 1y1c n ASP 19 Cb 0.17 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.63 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 1.57 3.14 0.27 0.00 -0.72 -5.10 105.19 104.34 1y1c n GLY 20 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 1.81 -0.69 -0.61 1.09 -1.21 -5.00 121.20 114.59 1y1c s ILE 21 Ca 0.00 -0.84 -0.22 0.00 -1.10 0.00 0.00 60.65 58.49 1y1c s ILE 21 Cb 0.00 -1.60 0.08 0.00 -1.06 0.00 0.00 42.46 39.88 1y1c s ILE 21 CO 0.00 0.50 0.97 -0.89 -0.10 0.00 0.00 174.94 175.43 1y1c s THR 22 N 0.72 4.38 -0.19 2.92 2.01 -1.26 -1.54 115.64 122.69 1y1c s THR 22 Ca -0.11 -0.52 -0.28 0.00 0.31 0.00 0.00 61.69 61.09 1y1c s THR 22 Cb -0.16 -4.69 -0.00 0.00 0.01 0.00 0.00 72.50 67.66 1y1c s THR 22 CO 0.02 -1.45 0.98 -0.31 -0.69 0.00 0.00 174.62 173.17 1y1c s TYR 23 N 3.87 3.40 0.61 4.92 2.02 0.58 -4.75 117.35 128.01 1y1c s TYR 23 Ca 0.23 1.45 0.25 0.00 -0.37 0.00 0.00 57.07 58.63 1y1c s TYR 23 Cb -0.16 -3.19 0.99 0.00 -0.40 0.00 0.00 41.96 39.20 1y1c s TYR 23 CO 0.08 -0.36 1.42 0.78 -1.57 0.00 0.00 175.55 175.90 1y1c h GLY 24 N 8.84 0.00 -4.94 0.71 0.00 -1.85 0.77 103.07 106.60 1y1c h GLY 24 Ca -0.24 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.17 1y1c h GLY 24 CO 0.91 0.00 0.55 0.54 0.00 0.00 0.00 176.54 178.55 1y1c s ASN 25 N -3.81 -0.36 0.58 0.19 2.20 -1.17 0.79 114.94 113.36 1y1c s ASN 25 Ca -0.03 0.54 0.31 0.00 -0.94 0.00 0.00 52.86 52.75 1y1c s ASN 25 Cb 0.13 0.50 1.34 0.00 -2.00 0.00 0.00 41.25 41.22 1y1c s ASN 25 CO 0.44 -0.23 1.66 0.00 -2.94 0.00 0.00 177.10 176.03 1y1c h ALA 26 N 3.21 2.75 0.16 3.54 0.00 -1.78 0.57 119.26 127.71 1y1c h ALA 26 Ca -0.22 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1y1c h ALA 26 Cb 1.17 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1y1c h ALA 26 CO 0.22 -1.33 -0.08 0.00 0.00 0.00 0.00 179.25 178.06 1y1c h MET 28 N -0.93 0.21 0.36 0.00 2.86 -0.28 2.18 114.93 119.33 1y1c h MET 28 Ca -0.02 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.59 1y1c h MET 28 Cb 0.48 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.10 1y1c h MET 28 CO 0.04 0.14 -0.19 1.25 1.06 0.00 0.00 176.91 179.21 1y1c h LEU 29 N 0.22 -0.45 -1.65 1.22 6.46 -0.21 0.49 115.31 121.39 1y1c h LEU 29 Ca 0.66 0.02 0.30 0.00 -0.12 0.00 0.00 57.88 58.74 1y1c h LEU 29 Cb 2.03 0.12 -0.07 0.00 -0.73 0.00 0.00 40.66 42.01 1y1c h LEU 29 CO -0.26 -0.31 0.75 -0.07 -0.62 0.00 0.00 178.44 177.93 1y1c h LEU 30 N -0.51 0.24 -0.39 2.25 3.38 0.55 3.03 115.31 123.86 1y1c h LEU 30 Ca -0.05 0.05 -0.19 0.00 0.09 0.00 0.00 57.88 57.79 1y1c h LEU 30 Cb 0.40 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1y1c h LEU 30 CO 0.07 0.04 -0.76 0.00 0.09 0.00 0.00 178.44 177.87 1y1c h ALA 32 N 0.95 -0.84 -0.11 0.00 0.00 0.98 -1.27 119.26 118.97 1y1c h ALA 32 Ca -0.04 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.70 1y1c h ALA 32 Cb 1.34 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 19.45 1y1c h ALA 32 CO 0.13 -0.84 0.23 1.03 0.00 0.00 0.00 179.25 179.80 1y1c h SER 33 N -1.12 0.00 0.89 0.00 0.87 0.28 0.77 113.55 115.24 1y1c h SER 33 Ca -0.09 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 1y1c h SER 33 Cb 0.69 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.65 1y1c h SER 33 CO 0.14 0.00 -0.78 0.00 -0.53 0.00 0.00 176.83 175.66 1y1c h ALA 34 N 1.65 0.53 0.00 6.23 0.00 -1.15 -3.38 119.26 123.15 1y1c h ALA 34 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1y1c h ALA 34 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1y1c h ALA 34 CO -0.00 0.00 -0.26 2.89 0.00 0.00 0.00 179.25 181.88 1y1c n ARG 35 N -2.31 0.53 0.00 0.00 -4.01 0.27 -4.95 116.66 106.19 1y1c n ARG 35 Ca 0.02 -1.34 0.00 0.00 -1.04 0.00 0.00 57.85 55.49 1y1c n ARG 35 Cb 0.48 -0.78 0.00 0.00 -3.04 0.00 0.00 32.46 29.12 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 -0.39 0.00 0.00 2.89 2.88 0.24 -4.99 113.62 114.25 1y1c n SER 36 Ca 0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 1y1c n SER 36 Cb 0.62 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.08 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 -3.92 -3.46 5.68 -1.26 -5.10 116.55 108.50 1y1c n ASP 37 Ca 0.00 0.00 -0.22 0.00 -0.50 0.00 0.00 54.79 54.07 1y1c n ASP 37 Cb 0.00 0.00 -0.17 0.00 -1.14 0.00 0.00 41.12 39.81 1y1c n ASP 37 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1y1c s THR 38 N 0.00 0.72 -0.79 2.12 -1.32 -1.26 -5.07 115.64 110.04 1y1c s THR 38 Ca 0.00 -0.21 -0.23 0.00 -1.21 0.00 0.00 61.69 60.05 1y1c s THR 38 Cb 0.00 -0.73 -0.18 0.00 -1.51 0.00 0.00 72.50 70.09 1y1c s THR 38 CO 0.00 0.27 2.39 -2.65 -2.21 0.00 0.00 174.62 172.42 1y1c n PRO 39 N 4.17 0.48 -0.59 7.08 -0.02 -1.26 -4.88 135.00 139.98 1y1c n PRO 39 Ca -0.22 -0.40 -0.30 0.00 -2.02 0.00 0.00 63.50 60.57 1y1c n PRO 39 Cb 0.51 -2.83 0.20 0.00 -0.02 0.00 0.00 33.50 31.36 1y1c n PRO 39 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 1y1c n ILE 40 N 7.78 0.00 -3.43 4.25 -0.00 -1.26 -5.02 119.36 121.68 1y1c n ILE 40 Ca 0.51 -0.31 -0.19 0.00 -0.00 0.00 0.00 62.75 62.77 1y1c n ILE 40 Cb 0.35 -0.69 -0.11 0.00 -0.00 0.00 0.00 39.64 39.19 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 0.29 0.33 6.28 2.02 -1.15 -4.84 118.70 117.93 1y1c s GLU 41 Ca 0.58 -0.15 -0.13 0.00 0.02 0.00 0.00 54.97 55.29 1y1c s GLU 41 Cb -0.14 -0.77 -0.10 0.00 0.10 0.00 0.00 34.13 33.22 1y1c s GLU 41 CO 0.63 -0.99 -0.06 1.28 0.02 0.00 0.00 175.26 176.14 1y1c n LEU 42 N 5.30 -2.39 0.00 1.80 7.99 -1.26 0.43 117.00 128.87 1y1c n LEU 42 Ca -0.03 0.47 0.00 0.00 -0.01 0.00 0.00 56.01 56.44 1y1c n LEU 42 Cb 0.46 -0.58 0.00 0.00 -0.11 0.00 0.00 43.42 43.19 1y1c n LEU 42 CO 0.02 -3.18 0.00 0.52 -1.51 0.00 0.00 177.39 173.23 1y1c n VAL 43 N -0.97 0.00 -3.65 4.08 0.31 0.48 -4.48 118.33 114.10 1y1c n VAL 43 Ca 0.06 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.34 1y1c n VAL 43 Cb 0.31 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.18 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 -1.12 -0.69 3.52 0.00 -1.07 -5.03 115.29 109.90 1y1c s HIS 44 Ca 0.00 2.04 -0.19 0.00 -3.00 0.00 0.00 55.06 53.91 1y1c s HIS 44 Cb 0.00 0.62 -0.15 0.00 -4.00 0.00 0.00 32.58 29.05 1y1c s HIS 44 CO 0.00 -0.58 1.89 1.63 -1.00 0.00 0.00 174.74 176.68 1y1c n LYS 45 N 5.18 1.41 -3.21 -0.38 5.02 -1.26 0.81 118.16 125.73 1y1c n LYS 45 Ca -0.13 -1.63 0.00 0.00 -2.02 0.00 0.00 58.31 54.53 1y1c n LYS 45 Cb 0.51 -2.74 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 4.39 -1.16 2.26 0.72 0.00 -0.05 -4.75 105.19 106.61 1y1c n GLY 46 Ca 0.46 -0.86 -0.33 0.00 0.00 0.00 0.00 46.02 45.29 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 3.40 0.00 1.61 1.74 -1.26 -2.06 116.66 120.09 1y1c n ARG 47 Ca 0.00 -2.05 0.00 0.00 -0.77 0.00 0.00 57.85 55.03 1y1c n ARG 47 Cb 0.00 -2.61 0.00 0.00 -1.02 0.00 0.00 32.46 28.83 1y1c n ARG 47 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11