#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 1.78 -0.78 -1.58 -0.02 -1.26 -4.66 135.00 128.48 1y1b n PRO 2 Ca 0.00 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.41 1y1b n PRO 2 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 33.38 1y1b n PRO 2 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1y1b n ASP 3 N -0.03 5.24 -4.37 2.55 -0.08 -1.26 -4.84 116.55 113.75 1y1b n ASP 3 Ca 0.00 -2.44 -0.32 0.00 -1.51 0.00 0.00 54.79 50.52 1y1b n ASP 3 Cb 0.00 -1.28 -0.15 0.00 2.34 0.00 0.00 41.12 42.03 1y1b n ASP 3 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1y1b n PRO 5 N 2.44 2.84 -3.27 0.00 -0.04 -1.26 -4.92 135.00 130.79 1y1b n PRO 5 Ca -0.17 -3.49 -0.14 0.00 -0.04 0.00 0.00 63.50 59.67 1y1b n PRO 5 Cb 0.52 -2.28 -0.04 0.00 -0.04 0.00 0.00 33.50 31.65 1y1b n PRO 5 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1y1b n LEU 6 N -0.80 -0.42 -0.84 1.53 4.77 -1.26 -4.20 117.00 115.79 1y1b n LEU 6 Ca 0.58 -0.56 0.10 0.00 -0.03 0.00 0.00 56.01 56.11 1y1b n LEU 6 Cb 0.61 -0.69 -0.05 0.00 -2.33 0.00 0.00 43.42 40.95 1y1b n LEU 6 CO 0.67 0.20 -0.36 -0.38 -1.33 0.00 0.00 177.39 176.19 1y1b n ILE 7 N -2.54 -0.46 -3.65 -0.08 2.08 -1.26 -5.07 119.36 108.38 1y1b n ILE 7 Ca -0.14 0.51 0.00 0.00 0.56 0.00 0.00 62.75 63.69 1y1b n ILE 7 Cb 0.30 -0.79 0.00 0.00 -0.75 0.00 0.00 39.64 38.39 1y1b n ILE 7 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1y1b s THR 9 N -1.66 1.52 -0.28 0.00 -1.32 -1.26 -4.98 115.64 107.66 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 -2.48 0.51 0.00 -1.51 0.00 0.00 72.50 69.02 1y1b s THR 9 CO 0.00 0.00 1.48 0.80 -2.21 0.00 0.00 174.62 174.69 1y1b n MET 10 N -4.87 1.96 -1.49 7.08 1.56 -1.26 -4.84 117.12 115.25 1y1b n MET 10 Ca 0.15 -3.14 -0.40 0.00 -0.27 0.00 0.00 57.70 54.03 1y1b n MET 10 Cb 0.60 -1.83 -0.02 0.00 2.15 0.00 0.00 33.22 34.12 1y1b n MET 10 CO 0.00 0.00 0.00 1.04 -0.73 0.00 0.00 175.97 176.28 1y1b n GLN 11 N -1.07 3.53 0.00 2.12 1.13 -1.26 -4.89 117.38 116.94 1y1b n GLN 11 Ca 0.33 -2.42 0.00 0.00 -1.94 0.00 0.00 57.00 52.97 1y1b n GLN 11 Cb 1.04 -2.93 0.00 0.00 0.11 0.00 0.00 30.24 28.47 1y1b n GLN 11 CO 0.00 0.00 0.00 0.98 -1.44 0.00 0.00 177.06 176.60 1y1b n TYR 12 N 4.16 0.00 -3.13 1.08 9.36 -1.26 -4.78 117.16 122.59 1y1b n TYR 12 Ca 0.70 0.00 -0.26 0.00 3.32 0.00 0.00 57.90 61.66 1y1b n TYR 12 Cb 0.28 0.00 -0.05 0.00 -0.63 0.00 0.00 39.34 38.93 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 3.72 -4.51 2.98 -0.08 -0.95 -5.05 116.55 112.65 1y1b n ASP 13 Ca 0.00 -3.50 -0.40 0.00 -1.51 0.00 0.00 54.79 49.38 1y1b n ASP 13 Cb 0.00 -0.60 -0.09 0.00 2.34 0.00 0.00 41.12 42.76 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 0.23 0.52 -4.15 -0.67 -0.04 -1.22 -3.82 135.00 125.85 1y1b n PRO 14 Ca 0.30 0.02 -0.35 0.00 -0.04 0.00 0.00 63.50 63.43 1y1b n PRO 14 Cb 0.43 -2.38 -0.12 0.00 -0.04 0.00 0.00 33.50 31.39 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 10.14 4.05 -0.17 0.52 -7.23 0.10 -0.78 120.40 127.03 1y1b s VAL 15 Ca 1.18 -0.29 -0.29 0.00 -1.81 0.00 0.00 61.98 60.77 1y1b s VAL 15 Cb -0.79 -2.82 -0.00 0.00 0.56 0.00 0.00 36.38 33.33 1y1b s VAL 15 CO 0.40 0.45 1.08 0.00 -0.31 0.00 0.00 175.10 176.72 1y1b s GLY 17 N 1.32 2.13 -0.81 0.00 0.00 0.13 -0.90 107.32 109.20 1y1b s GLY 17 Ca 0.48 -0.65 -0.24 0.00 0.00 0.00 0.00 44.72 44.31 1y1b s GLY 17 CO 0.12 -0.23 2.44 1.44 0.00 0.00 0.00 173.10 176.87 1y1b n SER 18 N 2.39 0.85 0.00 1.64 7.64 0.36 -1.84 113.62 124.66 1y1b n SER 18 Ca -0.19 -0.55 0.00 0.00 1.01 0.00 0.00 58.87 59.14 1y1b n SER 18 Cb 0.54 -1.20 0.00 0.00 -1.01 0.00 0.00 64.21 62.54 1y1b n SER 18 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1y1b n ASP 19 N 12.89 0.00 0.00 6.43 5.68 -1.26 -3.02 116.55 137.27 1y1b n ASP 19 Ca 0.54 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.83 1y1b n ASP 19 Cb 0.29 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.27 1y1b n ASP 19 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1y1b n GLY 20 N 0.00 1.86 2.91 6.12 0.00 -0.77 -5.14 105.19 110.17 1y1b n GLY 20 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 0.22 -0.51 -0.61 -1.09 -1.20 -5.01 121.20 110.99 1y1b s ILE 21 Ca 0.00 -0.10 -0.16 0.00 -2.23 0.00 0.00 60.65 58.16 1y1b s ILE 21 Cb 0.00 -0.20 0.09 0.00 -1.58 0.00 0.00 42.46 40.77 1y1b s ILE 21 CO 0.00 0.07 0.48 -0.89 -1.23 0.00 0.00 174.94 173.37 1y1b s THR 22 N 0.05 5.17 0.22 2.92 2.01 -1.26 0.20 115.64 124.95 1y1b s THR 22 Ca -0.00 -1.17 -0.22 0.00 0.31 0.00 0.00 61.69 60.60 1y1b s THR 22 Cb -0.03 -4.25 -0.08 0.00 0.01 0.00 0.00 72.50 68.15 1y1b s THR 22 CO -0.00 -0.75 0.77 -0.31 -0.69 0.00 0.00 174.62 173.65 1y1b s TYR 23 N 1.79 3.74 0.20 4.92 1.51 0.41 -4.80 117.35 125.12 1y1b s TYR 23 Ca 0.05 1.53 0.20 0.00 -1.01 0.00 0.00 57.07 57.84 1y1b s TYR 23 Cb -0.26 -2.71 1.11 0.00 -0.11 0.00 0.00 41.96 39.99 1y1b s TYR 23 CO 0.06 0.38 1.57 0.78 -1.11 0.00 0.00 175.55 177.23 1y1b h GLY 24 N 3.68 0.00 0.00 0.71 0.00 -1.86 0.29 103.07 105.89 1y1b h GLY 24 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1y1b h GLY 24 CO 0.65 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.89 1y1b n ASN 25 N -2.37 0.00 -0.10 0.19 3.02 -1.25 -2.25 115.26 112.51 1y1b n ASN 25 Ca -0.01 0.00 0.25 0.00 -0.03 0.00 0.00 54.58 54.79 1y1b n ASN 25 Cb 0.29 0.00 0.72 0.00 -0.61 0.00 0.00 39.78 40.18 1y1b n ASN 25 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1y1b h ALA 26 N 0.00 2.66 -0.14 5.41 0.00 -1.83 0.60 119.26 125.96 1y1b h ALA 26 Ca 0.00 -0.03 -0.23 0.00 0.00 0.00 0.00 54.91 54.66 1y1b h ALA 26 Cb 0.00 0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.86 1y1b h ALA 26 CO 0.00 -0.93 -0.80 0.00 0.00 0.00 0.00 179.25 177.51 1y1b h MET 28 N 0.53 0.00 0.32 0.00 2.86 -0.24 -2.68 114.93 115.71 1y1b h MET 28 Ca -0.06 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 1y1b h MET 28 Cb 1.43 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.10 1y1b h MET 28 CO 0.16 0.13 -0.15 1.25 1.06 0.00 0.00 176.91 179.36 1y1b h LEU 29 N 0.00 -0.36 -1.01 1.22 6.46 -0.79 -2.28 115.31 118.56 1y1b h LEU 29 Ca -0.00 -0.15 0.24 0.00 -0.12 0.00 0.00 57.88 57.85 1y1b h LEU 29 Cb 0.32 0.09 -0.12 0.00 -0.73 0.00 0.00 40.66 40.22 1y1b h LEU 29 CO 0.02 -0.03 0.60 -0.07 -0.62 0.00 0.00 178.44 178.33 1y1b h LEU 30 N -0.71 0.68 -1.81 2.25 3.38 -1.32 2.62 115.31 120.40 1y1b h LEU 30 Ca -0.04 0.13 0.01 0.00 0.09 0.00 0.00 57.88 58.07 1y1b h LEU 30 Cb 0.49 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1y1b h LEU 30 CO 0.07 0.12 0.15 1.23 0.09 0.00 0.00 178.44 180.10 1y1b h GLY 31 N 0.60 0.28 0.32 0.83 0.00 -1.32 0.45 103.07 104.22 1y1b h GLY 31 Ca 0.64 -0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.86 1y1b h GLY 31 CO -0.47 0.09 -0.11 0.00 0.00 0.00 0.00 176.54 176.05 1y1b h ALA 32 N 1.87 -0.32 -0.12 3.60 0.00 0.49 -2.18 119.26 122.60 1y1b h ALA 32 Ca 0.09 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.87 1y1b h ALA 32 Cb 0.04 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1y1b h ALA 32 CO -0.02 -0.34 -0.06 1.03 0.00 0.00 0.00 179.25 179.86 1y1b h SER 33 N -1.00 -0.21 0.07 0.00 0.87 -0.19 0.79 113.55 113.87 1y1b h SER 33 Ca -0.03 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.57 1y1b h SER 33 Cb 0.42 0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.50 1y1b h SER 33 CO 0.05 -0.09 -0.04 0.00 -0.53 0.00 0.00 176.83 176.23 1y1b n ARG 35 N -4.11 2.64 0.00 0.00 1.74 -0.64 -4.75 116.66 111.53 1y1b n ARG 35 Ca -0.03 -2.02 0.00 0.00 -0.77 0.00 0.00 57.85 55.04 1y1b n ARG 35 Cb 0.13 -1.29 0.00 0.00 -1.02 0.00 0.00 32.46 30.28 1y1b n ARG 35 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1y1b n SER 36 N 0.63 0.00 0.00 0.55 2.88 0.26 -4.99 113.62 112.95 1y1b n SER 36 Ca 0.12 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 1y1b n SER 36 Cb 0.43 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 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 -4.41 -3.46 2.03 -1.24 -5.07 116.55 104.40 1y1b n ASP 37 Ca 0.00 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 54.98 1y1b n ASP 37 Cb 0.00 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.26 1y1b n ASP 37 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1y1b s THR 38 N -0.62 3.19 -1.14 5.18 -1.32 -1.26 -5.04 115.64 114.62 1y1b s THR 38 Ca 0.00 -0.62 -0.23 0.00 -1.21 0.00 0.00 61.69 59.63 1y1b s THR 38 Cb 0.00 -2.33 -0.06 0.00 -1.51 0.00 0.00 72.50 68.60 1y1b s THR 38 CO 0.00 0.53 1.90 -2.16 -2.21 0.00 0.00 174.62 172.68 1y1b s PRO 39 N 0.17 2.69 1.19 7.08 0.04 -1.26 -4.69 135.00 140.22 1y1b s PRO 39 Ca -0.06 -1.10 -0.18 0.00 0.04 0.00 0.00 61.00 59.70 1y1b s PRO 39 Cb -0.15 -5.25 0.23 0.00 0.04 0.00 0.00 34.50 29.37 1y1b s PRO 39 CO 0.05 -3.65 0.48 0.44 0.04 0.00 0.00 177.00 174.36 1y1b n ILE 40 N 7.65 0.00 -4.39 0.56 -0.00 -1.26 -5.05 119.36 116.86 1y1b n ILE 40 Ca 0.44 -0.20 -0.20 0.00 -0.00 0.00 0.00 62.75 62.79 1y1b n ILE 40 Cb 0.47 -0.74 -0.06 0.00 -0.00 0.00 0.00 39.64 39.31 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 -3.46 0.63 -4.73 6.28 1.02 -1.17 -4.94 120.64 114.28 1y1b n GLU 41 Ca 0.05 -2.76 -0.33 0.00 -0.02 0.00 0.00 57.16 54.10 1y1b n GLU 41 Cb 0.53 1.55 -0.14 0.00 -0.02 0.00 0.00 31.44 33.36 1y1b n GLU 41 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1y1b s LEU 42 N 0.00 2.84 -0.10 -4.62 1.98 -1.26 0.14 118.68 117.65 1y1b s LEU 42 Ca 0.17 -0.25 -0.06 0.00 -2.89 0.00 0.00 54.13 51.10 1y1b s LEU 42 Cb 0.01 -1.64 -0.05 0.00 0.66 0.00 0.00 46.19 45.18 1y1b s LEU 42 CO 0.12 0.21 -0.15 1.33 -1.89 0.00 0.00 176.35 175.98 1y1b n VAL 43 N 3.24 0.70 -3.73 1.68 0.24 -0.08 -4.57 118.33 115.81 1y1b n VAL 43 Ca -0.18 -0.11 -0.13 0.00 -2.04 0.00 0.00 64.34 61.89 1y1b n VAL 43 Cb 0.53 -1.68 -0.14 0.00 -1.47 0.00 0.00 33.84 31.08 1y1b n VAL 43 CO 0.00 0.00 0.00 -1.38 -2.14 0.00 0.00 176.83 173.31 1y1b s HIS 44 N -2.23 -0.27 -1.17 6.34 0.00 -1.04 -5.03 115.29 111.89 1y1b s HIS 44 Ca -0.15 0.67 -0.11 0.00 -3.00 0.00 0.00 55.06 52.47 1y1b s HIS 44 Cb 0.06 -0.00 -0.07 0.00 -4.00 0.00 0.00 32.58 28.56 1y1b s HIS 44 CO 0.20 -0.21 2.35 0.36 -1.00 0.00 0.00 174.74 176.44 1y1b n LYS 45 N 4.23 2.57 -1.35 -0.38 2.85 -1.26 0.06 118.16 124.88 1y1b n LYS 45 Ca -0.26 -1.88 0.00 0.00 -1.05 0.00 0.00 58.31 55.12 1y1b n LYS 45 Cb 0.52 -2.73 0.00 0.00 -0.65 0.00 0.00 35.03 32.17 1y1b n LYS 45 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1y1b n GLY 46 N 3.87 1.16 2.07 2.58 0.00 0.04 -4.74 105.19 110.18 1y1b n GLY 46 Ca 0.56 -0.86 -0.17 0.00 0.00 0.00 0.00 46.02 45.56 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 2.31 -0.20 1.61 1.74 -1.23 -2.27 116.66 118.61 1y1b n ARG 47 Ca 0.00 -1.24 0.00 0.00 -0.77 0.00 0.00 57.85 55.84 1y1b n ARG 47 Cb 0.00 -2.14 0.00 0.00 -1.02 0.00 0.00 32.46 29.30 1y1b n ARG 47 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11