#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y1b n PRO 2 N 0.00 0.54 -1.36 1.97 -0.04 -1.26 -4.61 135.00 130.24 1y1b n PRO 2 Ca 0.00 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.36 1y1b n PRO 2 Cb 0.00 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.37 1y1b n PRO 2 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1y1b n ASP 3 N -0.58 -0.21 -4.58 3.54 9.92 -1.26 -4.84 116.55 118.54 1y1b n ASP 3 Ca 0.00 -1.67 -0.24 0.00 -0.53 0.00 0.00 54.79 52.35 1y1b n ASP 3 Cb 0.00 -1.14 -0.09 0.00 -0.64 0.00 0.00 41.12 39.25 1y1b n ASP 3 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1y1b s PRO 5 N -3.64 4.59 -0.30 0.00 0.04 -1.26 -4.17 135.00 130.25 1y1b s PRO 5 Ca 0.33 1.48 0.19 0.00 0.04 0.00 0.00 61.00 63.03 1y1b s PRO 5 Cb -0.02 -3.41 0.47 0.00 0.04 0.00 0.00 34.50 31.57 1y1b s PRO 5 CO 0.18 0.02 1.09 1.28 0.04 0.00 0.00 177.00 179.60 1y1b n LEU 6 N 3.48 1.04 -3.19 -3.56 4.32 -1.26 -5.00 117.00 112.83 1y1b n LEU 6 Ca 0.05 -3.38 -0.12 0.00 -0.02 0.00 0.00 56.01 52.53 1y1b n LEU 6 Cb 0.50 0.40 0.01 0.00 -1.62 0.00 0.00 43.42 42.71 1y1b n LEU 6 CO 0.52 1.39 -0.39 -0.38 -1.22 0.00 0.00 177.39 177.31 1y1b n ILE 7 N -0.42 -4.85 0.00 -0.08 5.41 -1.26 -4.98 119.36 113.18 1y1b n ILE 7 Ca 0.05 0.61 0.00 0.00 1.00 0.00 0.00 62.75 64.42 1y1b n ILE 7 Cb 0.82 -4.12 0.00 0.00 -0.71 0.00 0.00 39.64 35.63 1y1b n ILE 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1y1b s THR 9 N -0.17 0.00 -0.92 0.00 -1.32 -1.26 -5.01 115.64 106.95 1y1b s THR 9 Ca 0.00 0.00 0.09 0.00 -1.21 0.00 0.00 61.69 60.57 1y1b s THR 9 Cb 0.00 -1.00 0.45 0.00 -1.51 0.00 0.00 72.50 70.44 1y1b s THR 9 CO 0.00 0.00 1.24 0.23 -2.21 0.00 0.00 174.62 173.88 1y1b n MET 10 N 0.10 2.93 -1.10 7.08 2.81 -1.26 -4.69 117.12 122.99 1y1b n MET 10 Ca -0.08 -1.73 -0.36 0.00 -1.81 0.00 0.00 57.70 53.72 1y1b n MET 10 Cb 0.60 -1.79 -0.03 0.00 -0.71 0.00 0.00 33.22 31.29 1y1b n MET 10 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 1y1b n GLN 11 N 0.45 2.02 0.00 0.03 7.27 -1.26 -4.85 117.38 121.05 1y1b n GLN 11 Ca 0.15 -1.84 0.00 0.00 0.07 0.00 0.00 57.00 55.39 1y1b n GLN 11 Cb 0.69 -2.80 0.00 0.00 2.41 0.00 0.00 30.24 30.54 1y1b n GLN 11 CO 0.00 0.00 0.00 0.98 0.07 0.00 0.00 177.06 178.11 1y1b n TYR 12 N 5.93 0.00 -3.25 3.69 9.36 -1.26 -4.84 117.16 126.78 1y1b n TYR 12 Ca 0.50 0.00 -0.25 0.00 3.32 0.00 0.00 57.90 61.48 1y1b n TYR 12 Cb 0.30 0.00 -0.07 0.00 -0.63 0.00 0.00 39.34 38.94 1y1b n TYR 12 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1y1b n ASP 13 N 0.00 1.67 -4.55 2.98 -0.08 0.10 -5.04 116.55 111.63 1y1b n ASP 13 Ca 0.00 -3.03 -0.22 0.00 -1.51 0.00 0.00 54.79 50.03 1y1b n ASP 13 Cb 0.00 -0.64 -0.06 0.00 2.34 0.00 0.00 41.12 42.75 1y1b n ASP 13 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1y1b n PRO 14 N 1.01 0.70 -4.39 -0.67 -0.04 -0.97 -3.13 135.00 127.52 1y1b n PRO 14 Ca 0.25 -0.50 -0.34 0.00 -0.04 0.00 0.00 63.50 62.87 1y1b n PRO 14 Cb 0.50 -3.48 -0.13 0.00 -0.04 0.00 0.00 33.50 30.35 1y1b n PRO 14 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1y1b s VAL 15 N 13.33 3.73 0.02 0.52 -7.23 0.22 -1.45 120.40 129.54 1y1b s VAL 15 Ca 0.97 -0.41 -0.30 0.00 -1.81 0.00 0.00 61.98 60.43 1y1b s VAL 15 Cb -0.19 -2.64 -0.03 0.00 0.56 0.00 0.00 36.38 34.07 1y1b s VAL 15 CO 0.17 0.49 0.98 0.00 -0.31 0.00 0.00 175.10 176.43 1y1b s GLY 17 N 0.86 1.75 -0.86 0.00 0.00 0.19 -0.76 107.32 108.50 1y1b s GLY 17 Ca 0.51 -1.29 -0.21 0.00 0.00 0.00 0.00 44.72 43.73 1y1b s GLY 17 CO 0.28 -1.27 2.39 -1.26 0.00 0.00 0.00 173.10 173.25 1y1b n SER 18 N 0.75 0.42 0.00 1.64 2.88 0.43 -1.59 113.62 118.15 1y1b n SER 18 Ca -0.14 -0.63 0.00 0.00 -1.33 0.00 0.00 58.87 56.77 1y1b n SER 18 Cb 0.52 -1.09 0.00 0.00 -0.75 0.00 0.00 64.21 62.89 1y1b n SER 18 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1y1b n ASP 19 N 11.87 0.00 0.00 -3.46 -0.08 -1.26 -3.02 116.55 120.60 1y1b n ASP 19 Ca 0.57 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.85 1y1b n ASP 19 Cb 0.26 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.72 1y1b n ASP 19 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1y1b n GLY 20 N 0.00 1.61 2.87 0.27 0.00 -0.62 -5.13 105.19 104.19 1y1b n GLY 20 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1y1b n GLY 20 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y1b s ILE 21 N -2.00 -0.01 -0.36 -0.61 -1.09 -1.21 -5.01 121.20 110.92 1y1b s ILE 21 Ca 0.00 0.02 -0.20 0.00 -2.23 0.00 0.00 60.65 58.24 1y1b s ILE 21 Cb 0.00 -0.02 0.00 0.00 -1.58 0.00 0.00 42.46 40.86 1y1b s ILE 21 CO 0.00 0.01 0.63 -0.89 -1.23 0.00 0.00 174.94 173.45 1y1b s THR 22 N 0.10 4.90 -0.15 2.92 2.01 -1.26 -0.64 115.64 123.51 1y1b s THR 22 Ca -0.01 0.53 -0.08 0.00 0.31 0.00 0.00 61.69 62.44 1y1b s THR 22 Cb -0.01 -4.08 -0.04 0.00 0.01 0.00 0.00 72.50 68.38 1y1b s THR 22 CO -0.00 -0.32 0.14 -0.31 -0.69 0.00 0.00 174.62 173.43 1y1b s TYR 23 N 2.69 3.52 0.59 4.92 2.02 0.50 -4.86 117.35 126.73 1y1b s TYR 23 Ca 0.24 0.45 0.29 0.00 -0.37 0.00 0.00 57.07 57.68 1y1b s TYR 23 Cb -0.15 -2.04 1.37 0.00 -0.40 0.00 0.00 41.96 40.74 1y1b s TYR 23 CO 0.15 0.55 1.75 0.78 -1.57 0.00 0.00 175.55 177.21 1y1b h GLY 24 N 5.71 0.00 -5.42 0.71 0.00 -1.85 0.63 103.07 102.85 1y1b h GLY 24 Ca -0.49 0.00 0.06 0.00 0.00 0.00 0.00 47.33 46.90 1y1b h GLY 24 CO 0.66 0.00 0.41 -1.31 0.00 0.00 0.00 176.54 176.29 1y1b s ASN 25 N -4.79 -0.50 0.62 0.19 -0.87 -1.18 0.03 114.94 108.44 1y1b s ASN 25 Ca -0.04 0.93 0.33 0.00 -1.57 0.00 0.00 52.86 52.51 1y1b s ASN 25 Cb 0.16 0.98 1.79 0.00 -0.02 0.00 0.00 41.25 44.17 1y1b s ASN 25 CO 0.55 -0.16 2.00 0.00 -2.57 0.00 0.00 177.10 176.93 1y1b h ALA 26 N 4.59 1.20 0.10 0.60 0.00 -1.79 0.47 119.26 124.43 1y1b h ALA 26 Ca -0.28 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.36 1y1b h ALA 26 Cb 1.18 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1y1b h ALA 26 CO 0.11 -0.20 -1.26 0.00 0.00 0.00 0.00 179.25 177.90 1y1b h MET 28 N 0.06 0.80 0.00 0.00 2.07 -0.48 -3.00 114.93 114.37 1y1b h MET 28 Ca -0.13 -0.66 0.00 0.00 -2.07 0.00 0.00 59.70 56.83 1y1b h MET 28 Cb 1.94 0.14 0.00 0.00 -1.87 0.00 0.00 31.60 31.81 1y1b h MET 28 CO 0.18 1.27 -0.16 1.37 1.07 0.00 0.00 176.91 180.64 1y1b h LEU 29 N 0.54 0.00 -0.70 1.22 -0.00 -1.45 -2.89 115.31 112.03 1y1b h LEU 29 Ca -0.06 -0.02 -0.04 0.00 -0.00 0.00 0.00 57.88 57.77 1y1b h LEU 29 Cb 1.43 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 42.06 1y1b h LEU 29 CO 0.16 0.01 0.29 0.17 -0.00 0.00 0.00 178.44 179.07 1y1b h LEU 30 N 0.00 0.96 -1.09 0.17 8.10 -1.28 -0.36 115.31 121.81 1y1b h LEU 30 Ca 0.00 -0.16 -0.06 0.00 0.11 0.00 0.00 57.88 57.77 1y1b h LEU 30 Cb 0.89 -0.25 -0.02 0.00 -0.44 0.00 0.00 40.66 40.84 1y1b h LEU 30 CO 0.00 0.86 0.01 1.23 -4.11 0.00 0.00 178.44 176.43 1y1b h GLY 31 N 0.99 0.70 1.19 0.17 0.00 -1.40 -2.02 103.07 102.72 1y1b h GLY 31 Ca 0.23 -0.44 0.06 0.00 0.00 0.00 0.00 47.33 47.19 1y1b h GLY 31 CO -0.02 0.41 0.39 0.00 0.00 0.00 0.00 176.54 177.31 1y1b h ALA 32 N 1.39 1.83 0.10 3.60 0.00 -0.90 0.68 119.26 125.97 1y1b h ALA 32 Ca 0.13 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1y1b h ALA 32 Cb 0.38 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1y1b h ALA 32 CO 0.01 0.07 -0.05 0.66 0.00 0.00 0.00 179.25 179.94 1y1b h SER 33 N 0.56 -0.12 0.24 0.00 4.64 -0.55 -1.08 113.55 117.25 1y1b h SER 33 Ca 0.25 -0.37 -0.03 0.00 -0.47 0.00 0.00 61.79 61.18 1y1b h SER 33 Cb 0.29 0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1y1b h SER 33 CO -0.07 0.33 -0.12 0.00 -0.87 0.00 0.00 176.83 176.10 1y1b h ARG 35 N 0.00 0.51 0.00 0.00 0.11 -0.82 -3.42 114.38 110.75 1y1b h ARG 35 Ca -0.00 -0.87 0.00 0.00 0.10 0.00 0.00 59.98 59.21 1y1b h ARG 35 Cb 0.28 0.32 0.00 0.00 1.11 0.00 0.00 29.97 31.68 1y1b h ARG 35 CO 0.02 1.42 0.00 0.45 0.10 0.00 0.00 179.97 181.95 1y1b n SER 36 N -3.69 0.00 0.00 0.08 2.88 -0.41 -5.05 113.62 107.43 1y1b n SER 36 Ca -0.16 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 1y1b n SER 36 Cb 1.10 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.56 1y1b n SER 36 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1y1b n ASP 37 N 0.00 0.00 -4.58 -3.46 2.03 -1.04 -5.08 116.55 104.42 1y1b n ASP 37 Ca 0.00 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 54.91 1y1b n ASP 37 Cb 0.00 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.32 1y1b n ASP 37 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1y1b s THR 38 N 0.00 5.10 -0.94 5.18 -4.23 -1.26 -4.98 115.64 114.50 1y1b s THR 38 Ca 0.00 0.49 -0.24 0.00 -1.18 0.00 0.00 61.69 60.76 1y1b s THR 38 Cb 0.00 -3.83 -0.15 0.00 1.34 0.00 0.00 72.50 69.86 1y1b s THR 38 CO 0.00 -0.02 1.92 -0.81 -0.54 0.00 0.00 174.62 175.17 1y1b n PRO 39 N 5.52 1.29 -0.62 3.99 -0.04 -1.26 -4.63 135.00 139.25 1y1b n PRO 39 Ca -0.06 -2.07 -0.21 0.00 -0.04 0.00 0.00 63.50 61.11 1y1b n PRO 39 Cb 0.50 -3.39 0.13 0.00 -0.04 0.00 0.00 33.50 30.70 1y1b n PRO 39 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1y1b n ILE 40 N 7.28 0.00 -4.25 0.52 -5.35 -1.26 -5.03 119.36 111.27 1y1b n ILE 40 Ca 0.46 -0.08 -0.15 0.00 -0.27 0.00 0.00 62.75 62.71 1y1b n ILE 40 Cb 0.44 -0.41 -0.06 0.00 -1.74 0.00 0.00 39.64 37.87 1y1b n ILE 40 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1y1b n GLU 41 N -1.03 0.39 -4.36 6.28 -0.58 -1.17 -4.92 120.64 115.25 1y1b n GLU 41 Ca 0.03 -2.48 -0.34 0.00 -0.42 0.00 0.00 57.16 53.95 1y1b n GLU 41 Cb 0.41 1.88 -0.11 0.00 -0.57 0.00 0.00 31.44 33.04 1y1b n GLU 41 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1y1b s LEU 42 N 0.00 3.37 0.00 -4.62 1.98 -1.26 0.16 118.68 118.31 1y1b s LEU 42 Ca 0.26 -0.05 0.00 0.00 -2.89 0.00 0.00 54.13 51.45 1y1b s LEU 42 Cb 0.01 -1.81 0.00 0.00 0.66 0.00 0.00 46.19 45.06 1y1b s LEU 42 CO 0.19 0.21 0.00 0.55 -1.89 0.00 0.00 176.35 175.41 1y1b n VAL 43 N 3.24 0.00 -4.15 1.68 3.14 0.06 -4.59 118.33 117.71 1y1b n VAL 43 Ca -0.17 0.00 -0.16 0.00 -2.96 0.00 0.00 64.34 61.05 1y1b n VAL 43 Cb 0.53 -0.61 -0.14 0.00 -1.06 0.00 0.00 33.84 32.55 1y1b n VAL 43 CO 0.00 0.00 0.00 -1.00 -6.46 0.00 0.00 176.83 169.37 1y1b s HIS 44 N -1.87 0.46 -1.06 1.45 3.76 -0.41 -5.01 115.29 112.61 1y1b s HIS 44 Ca 0.00 -0.10 -0.04 0.00 -0.15 0.00 0.00 55.06 54.77 1y1b s HIS 44 Cb 0.00 -0.30 0.19 0.00 1.11 0.00 0.00 32.58 33.59 1y1b s HIS 44 CO 0.00 -0.01 2.25 1.63 -0.85 0.00 0.00 174.74 177.75 1y1b n LYS 45 N 2.90 4.36 0.00 1.40 5.02 -1.26 0.07 118.16 130.65 1y1b n LYS 45 Ca -0.13 -3.66 0.00 0.00 -2.02 0.00 0.00 58.31 52.49 1y1b n LYS 45 Cb 0.58 -2.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.12 1y1b n LYS 45 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1y1b n GLY 46 N 0.85 -0.90 2.47 0.72 0.00 -0.53 -4.84 105.19 102.97 1y1b n GLY 46 Ca 0.55 -0.13 -0.37 0.00 0.00 0.00 0.00 46.02 46.08 1y1b n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y1b n ARG 47 N 0.00 4.05 -0.18 1.61 1.74 -1.24 -2.95 116.66 119.68 1y1b n ARG 47 Ca 0.00 -3.16 0.00 0.00 -0.77 0.00 0.00 57.85 53.92 1y1b n ARG 47 Cb 0.00 -2.51 0.00 0.00 -1.02 0.00 0.00 32.46 28.93 1y1b n ARG 47 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11