#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 1.47 -1.62 1.97 -0.04 -1.26 -4.83 135.00 130.69 1y1b n PRO 2 Ca 0.00 -0.90 0.00 0.00 -0.04 0.00 0.00 63.50 62.56 1y1b n PRO 2 Cb 0.00 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.10 1y1b n PRO 2 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1y1b n ASP 3 N 0.86 0.00 -4.76 3.54 5.68 -1.26 -4.91 116.55 115.70 1y1b n ASP 3 Ca 0.17 -0.95 -0.39 0.00 -0.50 0.00 0.00 54.79 53.12 1y1b n ASP 3 Cb 0.55 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.48 1y1b n ASP 3 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1y1b s PRO 5 N -1.66 3.03 -0.63 0.00 0.04 -1.26 -4.93 135.00 129.59 1y1b s PRO 5 Ca 0.47 0.29 -0.06 0.00 0.04 0.00 0.00 61.00 61.74 1y1b s PRO 5 Cb -0.30 -2.16 -0.08 0.00 0.04 0.00 0.00 34.50 32.01 1y1b s PRO 5 CO 0.38 -0.78 3.07 -0.11 0.04 0.00 0.00 177.00 179.60 1y1b n LEU 6 N -2.75 6.67 -2.16 -3.56 7.94 -1.26 -4.75 117.00 117.14 1y1b n LEU 6 Ca 0.05 -3.92 -0.02 0.00 -1.11 0.00 0.00 56.01 51.01 1y1b n LEU 6 Cb 0.57 -1.38 -0.02 0.00 0.53 0.00 0.00 43.42 43.12 1y1b n LEU 6 CO 0.55 1.83 -0.35 -0.38 -1.11 0.00 0.00 177.39 177.94 1y1b n ILE 7 N 2.09 -8.38 0.00 1.96 5.41 -1.26 -5.05 119.36 114.13 1y1b n ILE 7 Ca 0.54 1.41 0.00 0.00 1.00 0.00 0.00 62.75 65.70 1y1b n ILE 7 Cb 0.58 -5.44 0.00 0.00 -0.71 0.00 0.00 39.64 34.07 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 0.00 0.00 -0.35 0.00 -1.32 -1.26 -5.04 115.64 107.66 1y1b s THR 9 Ca 0.00 0.00 0.07 0.00 -1.21 0.00 0.00 61.69 60.55 1y1b s THR 9 Cb 0.00 -1.00 0.51 0.00 -1.51 0.00 0.00 72.50 70.50 1y1b s THR 9 CO 0.00 0.00 1.53 0.23 -2.21 0.00 0.00 174.62 174.17 1y1b n MET 10 N 0.34 2.25 0.00 7.08 0.00 -1.26 -4.88 117.12 120.66 1y1b n MET 10 Ca -0.13 -3.35 0.00 0.00 0.00 0.00 0.00 57.70 54.22 1y1b n MET 10 Cb 0.60 -1.98 0.00 0.00 0.00 0.00 0.00 33.22 31.84 1y1b n MET 10 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 1y1b n GLN 11 N -1.04 0.00 -2.89 0.03 1.13 -1.26 -5.06 117.38 108.29 1y1b n GLN 11 Ca 0.41 0.00 0.02 0.00 -1.94 0.00 0.00 57.00 55.49 1y1b n GLN 11 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 30.24 31.39 1y1b n GLN 11 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 1y1b s TYR 12 N 0.00 -0.58 -0.42 1.08 5.04 -1.26 -5.03 117.35 116.18 1y1b s TYR 12 Ca 0.00 0.13 0.10 0.00 -2.44 0.00 0.00 57.07 54.86 1y1b s TYR 12 Cb 0.00 0.11 0.41 0.00 0.35 0.00 0.00 41.96 42.82 1y1b s TYR 12 CO 0.00 -0.38 0.97 -3.47 -1.34 0.00 0.00 175.55 171.33 1y1b n ASP 13 N 4.03 3.03 -4.59 4.32 2.03 0.16 -5.05 116.55 120.48 1y1b n ASP 13 Ca 0.07 -3.28 -0.54 0.00 0.52 0.00 0.00 54.79 51.55 1y1b n ASP 13 Cb 0.62 -0.52 -0.07 0.00 -0.72 0.00 0.00 41.12 40.42 1y1b n ASP 13 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1y1b n PRO 14 N -0.19 1.23 -4.20 -0.67 -0.04 -0.08 -3.62 135.00 127.44 1y1b n PRO 14 Ca 0.26 0.42 -0.25 0.00 -0.04 0.00 0.00 63.50 63.88 1y1b n PRO 14 Cb 0.66 -2.29 -0.17 0.00 -0.04 0.00 0.00 33.50 31.67 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 5.09 1.03 0.13 0.52 -7.23 0.15 -0.74 120.40 119.35 1y1b s VAL 15 Ca 1.03 -0.35 -0.30 0.00 -1.81 0.00 0.00 61.98 60.54 1y1b s VAL 15 Cb -0.96 -1.00 -0.06 0.00 0.56 0.00 0.00 36.38 34.92 1y1b s VAL 15 CO 0.58 0.35 1.01 0.00 -0.31 0.00 0.00 175.10 176.73 1y1b s GLY 17 N 0.02 1.59 -0.83 0.00 0.00 0.86 -1.46 107.32 107.49 1y1b s GLY 17 Ca 0.48 -1.04 -0.27 0.00 0.00 0.00 0.00 44.72 43.89 1y1b s GLY 17 CO 0.31 -0.88 2.55 1.44 0.00 0.00 0.00 173.10 176.53 1y1b n SER 18 N 1.95 0.82 0.00 1.64 7.64 0.41 -1.89 113.62 124.19 1y1b n SER 18 Ca -0.17 -0.19 0.00 0.00 1.01 0.00 0.00 58.87 59.53 1y1b n SER 18 Cb 0.52 -1.12 0.00 0.00 -1.01 0.00 0.00 64.21 62.60 1y1b n SER 18 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1y1b n ASP 19 N 12.12 0.00 0.00 6.43 -0.08 -1.26 -3.10 116.55 130.66 1y1b n ASP 19 Ca 0.56 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.84 1y1b n ASP 19 Cb 0.22 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.68 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 1.60 3.35 0.27 0.00 -0.79 -5.12 105.19 104.49 1y1b n GLY 20 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 1.97 -0.46 -0.61 1.09 -1.20 -5.00 121.20 114.98 1y1b s ILE 21 Ca 0.00 -1.80 -0.05 0.00 -1.10 0.00 0.00 60.65 57.70 1y1b s ILE 21 Cb 0.00 -1.84 0.12 0.00 -1.06 0.00 0.00 42.46 39.69 1y1b s ILE 21 CO 0.00 -0.13 0.29 -0.89 -0.10 0.00 0.00 174.94 174.11 1y1b s THR 22 N -1.53 3.64 0.20 2.92 2.01 -1.26 -0.10 115.64 121.51 1y1b s THR 22 Ca 0.14 -2.11 -0.29 0.00 0.31 0.00 0.00 61.69 59.74 1y1b s THR 22 Cb -0.08 -3.44 -0.08 0.00 0.01 0.00 0.00 72.50 68.90 1y1b s THR 22 CO 0.06 -0.75 0.90 -0.31 -0.69 0.00 0.00 174.62 173.84 1y1b s TYR 23 N 1.02 3.93 0.57 4.92 2.02 -0.25 -4.82 117.35 124.74 1y1b s TYR 23 Ca 0.09 1.82 0.30 0.00 -0.37 0.00 0.00 57.07 58.91 1y1b s TYR 23 Cb -0.23 -2.94 1.46 0.00 -0.40 0.00 0.00 41.96 39.85 1y1b s TYR 23 CO -0.03 0.43 1.88 0.78 -1.57 0.00 0.00 175.55 177.04 1y1b h GLY 24 N 4.47 0.00 -4.36 0.71 0.00 -1.86 0.43 103.07 102.45 1y1b h GLY 24 Ca -0.45 0.00 0.01 0.00 0.00 0.00 0.00 47.33 46.89 1y1b h GLY 24 CO 0.68 0.00 0.35 -1.31 0.00 0.00 0.00 176.54 176.26 1y1b s ASN 25 N -5.36 -0.54 0.57 0.19 0.01 -1.24 -0.66 114.94 107.91 1y1b s ASN 25 Ca -0.04 0.67 0.27 0.00 -0.71 0.00 0.00 52.86 53.04 1y1b s ASN 25 Cb 0.18 0.55 1.54 0.00 0.41 0.00 0.00 41.25 43.93 1y1b s ASN 25 CO 0.64 -0.44 2.04 0.00 -1.51 0.00 0.00 177.10 177.83 1y1b h ALA 26 N 3.08 2.05 -0.10 0.60 0.00 -1.82 0.41 119.26 123.48 1y1b h ALA 26 Ca -0.24 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.45 1y1b h ALA 26 Cb 1.15 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1y1b h ALA 26 CO 0.31 -0.44 -0.79 0.00 0.00 0.00 0.00 179.25 178.33 1y1b h MET 28 N 0.41 0.00 0.30 0.00 2.86 -0.59 -2.87 114.93 115.04 1y1b h MET 28 Ca -0.05 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 1y1b h MET 28 Cb 1.40 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.07 1y1b h MET 28 CO 0.15 0.00 -0.14 -0.07 1.06 0.00 0.00 176.91 177.91 1y1b h LEU 29 N 0.00 -0.34 -1.86 1.22 3.38 -0.85 -1.77 115.31 115.09 1y1b h LEU 29 Ca 0.00 -0.14 0.26 0.00 0.09 0.00 0.00 57.88 58.09 1y1b h LEU 29 Cb 0.36 0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.15 1y1b h LEU 29 CO 0.00 0.13 0.66 -0.07 0.09 0.00 0.00 178.44 179.25 1y1b h LEU 30 N -1.01 0.11 -0.77 1.67 3.38 -1.34 2.48 115.31 119.83 1y1b h LEU 30 Ca -0.04 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 1y1b h LEU 30 Cb 0.46 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1y1b h LEU 30 CO 0.07 0.04 -0.42 1.23 0.09 0.00 0.00 178.44 179.45 1y1b h GLY 31 N 0.11 0.00 0.00 0.83 0.00 -1.43 -2.30 103.07 100.27 1y1b h GLY 31 Ca 0.46 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.79 1y1b h GLY 31 CO -0.06 0.00 -0.20 0.00 0.00 0.00 0.00 176.54 176.28 1y1b h ALA 32 N 1.58 0.00 -0.21 3.60 0.00 0.48 -1.79 119.26 122.94 1y1b h ALA 32 Ca -0.00 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.75 1y1b h ALA 32 Cb 1.00 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1y1b h ALA 32 CO 0.05 0.19 0.33 0.66 0.00 0.00 0.00 179.25 180.49 1y1b h SER 33 N -1.00 0.00 0.08 0.00 4.64 0.13 0.58 113.55 117.98 1y1b h SER 33 Ca -0.01 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.00 1y1b h SER 33 Cb 0.23 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.30 1y1b h SER 33 CO -0.00 0.00 -1.70 0.00 -0.87 0.00 0.00 176.83 174.26 1y1b h ARG 35 N -0.36 0.01 0.00 0.00 -0.00 -0.39 -3.40 114.38 110.24 1y1b h ARG 35 Ca -0.39 -0.01 0.00 0.00 -0.00 0.00 0.00 59.98 59.58 1y1b h ARG 35 Cb 1.75 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.72 1y1b h ARG 35 CO -0.03 0.79 0.00 0.45 -0.00 0.00 0.00 179.97 181.18 1y1b n SER 36 N -3.61 0.00 0.00 0.08 2.88 0.19 -5.04 113.62 108.12 1y1b n SER 36 Ca -0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 1y1b n SER 36 Cb 0.76 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.22 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 -4.51 -3.46 -0.08 -1.25 -5.08 116.55 102.16 1y1b n ASP 37 Ca 0.00 0.00 -0.39 0.00 -1.51 0.00 0.00 54.79 52.89 1y1b n ASP 37 Cb 0.00 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.35 1y1b n ASP 37 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 1y1b s THR 38 N 0.00 5.09 -0.92 5.18 -4.23 -1.26 -4.99 115.64 114.51 1y1b s THR 38 Ca 0.00 -0.22 -0.23 0.00 -1.18 0.00 0.00 61.69 60.06 1y1b s THR 38 Cb 0.00 -3.58 -0.14 0.00 1.34 0.00 0.00 72.50 70.11 1y1b s THR 38 CO 0.00 0.05 1.91 -0.81 -0.54 0.00 0.00 174.62 175.23 1y1b n PRO 39 N 5.06 1.43 -0.49 3.99 -0.04 -1.24 -4.46 135.00 139.25 1y1b n PRO 39 Ca -0.13 -2.08 -0.22 0.00 -0.04 0.00 0.00 63.50 61.03 1y1b n PRO 39 Cb 0.50 -3.29 0.18 0.00 -0.04 0.00 0.00 33.50 30.84 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 6.96 0.00 -4.32 0.52 -0.00 -1.26 -5.04 119.36 116.22 1y1b n ILE 40 Ca 0.47 -0.07 -0.18 0.00 -0.00 0.00 0.00 62.75 62.97 1y1b n ILE 40 Cb 0.43 -0.59 -0.06 0.00 -0.00 0.00 0.00 39.64 39.43 1y1b n ILE 40 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 1y1b n GLU 41 N -2.51 0.51 -4.04 6.28 -0.58 -1.18 -4.91 120.64 114.21 1y1b n GLU 41 Ca 0.06 -2.69 -0.35 0.00 -0.42 0.00 0.00 57.16 53.77 1y1b n GLU 41 Cb 0.42 1.78 -0.09 0.00 -0.57 0.00 0.00 31.44 32.98 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 3.87 0.00 -4.62 1.98 -1.26 0.15 118.68 118.80 1y1b s LEU 42 Ca 0.23 0.15 0.00 0.00 -2.89 0.00 0.00 54.13 51.62 1y1b s LEU 42 Cb 0.01 -1.96 0.00 0.00 0.66 0.00 0.00 46.19 44.90 1y1b s LEU 42 CO 0.16 0.24 0.00 0.55 -1.89 0.00 0.00 176.35 175.41 1y1b n VAL 43 N 3.10 0.00 -4.26 1.68 3.14 -0.53 -4.66 118.33 116.80 1y1b n VAL 43 Ca -0.17 0.00 -0.19 0.00 -2.96 0.00 0.00 64.34 61.01 1y1b n VAL 43 Cb 0.53 -0.49 -0.16 0.00 -1.06 0.00 0.00 33.84 32.66 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 -1.84 0.77 -0.93 1.45 3.76 -0.97 -5.02 115.29 112.52 1y1b s HIS 44 Ca 0.00 -0.19 -0.05 0.00 -0.15 0.00 0.00 55.06 54.67 1y1b s HIS 44 Cb 0.00 -0.59 0.10 0.00 1.11 0.00 0.00 32.58 33.20 1y1b s HIS 44 CO 0.00 -0.11 2.53 1.63 -0.85 0.00 0.00 174.74 177.94 1y1b n LYS 45 N 3.49 3.65 0.00 1.40 4.01 -1.26 0.24 118.16 129.69 1y1b n LYS 45 Ca -0.20 -3.02 0.00 0.00 -0.51 0.00 0.00 58.31 54.58 1y1b n LYS 45 Cb 0.54 -2.41 0.00 0.00 -0.51 0.00 0.00 35.03 32.65 1y1b n LYS 45 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1y1b n GLY 46 N 1.26 1.44 2.48 0.72 0.00 0.08 -4.80 105.19 106.38 1y1b n GLY 46 Ca 0.56 -0.13 -0.36 0.00 0.00 0.00 0.00 46.02 46.10 1y1b n GLY 46 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1y1b n ARG 47 N 0.00 3.88 -0.21 1.61 1.85 -1.26 -2.92 116.66 119.62 1y1b n ARG 47 Ca 0.00 -3.11 0.00 0.00 -1.00 0.00 0.00 57.85 53.74 1y1b n ARG 47 Cb 0.00 -2.46 0.00 0.00 -1.05 0.00 0.00 32.46 28.95 1y1b n ARG 47 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62