#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 1.24 -4.15 -1.58 -0.04 -1.26 -4.82 135.00 124.39 1y1b n PRO 2 Ca 0.00 -0.42 -0.11 0.00 -0.04 0.00 0.00 63.50 62.93 1y1b n PRO 2 Cb 0.00 -1.20 -0.09 0.00 -0.04 0.00 0.00 33.50 32.17 1y1b n PRO 2 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 1y1b s ASP 3 N 1.58 0.11 0.15 3.54 -4.77 -1.26 -4.97 116.67 111.05 1y1b s ASP 3 Ca 0.11 -1.29 -0.15 0.00 -3.30 0.00 0.00 52.55 47.92 1y1b s ASP 3 Cb 0.07 0.43 -0.10 0.00 -1.09 0.00 0.00 42.92 42.24 1y1b s ASP 3 CO -0.00 -0.91 0.24 0.00 0.70 0.00 0.00 175.17 175.19 1y1b n PRO 5 N 0.65 1.15 -3.00 0.00 -0.04 -1.26 -4.91 135.00 127.58 1y1b n PRO 5 Ca 0.10 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.36 1y1b n PRO 5 Cb 0.17 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.61 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 0.00 2.05 -2.05 1.53 4.77 -1.26 -5.01 117.00 117.03 1y1b n LEU 6 Ca 0.00 -4.98 -0.03 0.00 -0.03 0.00 0.00 56.01 50.97 1y1b n LEU 6 Cb 0.00 0.30 -0.02 0.00 -2.33 0.00 0.00 43.42 41.36 1y1b n LEU 6 CO 0.00 2.19 -0.33 -0.38 -1.33 0.00 0.00 177.39 177.54 1y1b n ILE 7 N 0.05 -7.91 0.00 -0.08 5.41 -1.26 -5.06 119.36 110.51 1y1b n ILE 7 Ca 0.25 1.37 0.00 0.00 1.00 0.00 0.00 62.75 65.37 1y1b n ILE 7 Cb 0.62 -5.06 0.00 0.00 -0.71 0.00 0.00 39.64 34.49 1y1b n ILE 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1y1b n THR 9 N -0.76 0.00 -1.10 0.00 5.66 -1.26 -5.01 114.28 111.80 1y1b n THR 9 Ca 0.00 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 60.96 1y1b n THR 9 Cb 0.00 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 68.76 1y1b n THR 9 CO 0.00 0.00 0.00 1.15 -3.05 0.00 0.00 175.07 173.17 1y1b n MET 10 N -1.47 -1.76 0.00 1.09 3.85 -1.26 -4.85 117.12 112.71 1y1b n MET 10 Ca 0.00 0.60 0.00 0.00 -1.00 0.00 0.00 57.70 57.30 1y1b n MET 10 Cb 0.00 -4.98 0.00 0.00 -1.05 0.00 0.00 33.22 27.19 1y1b n MET 10 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 175.97 176.91 1y1b n GLN 11 N 0.13 0.00 -3.01 3.17 -0.06 -1.26 -5.03 117.38 111.32 1y1b n GLN 11 Ca -0.04 0.12 0.04 0.00 -2.00 0.00 0.00 57.00 55.13 1y1b n GLN 11 Cb 0.50 -0.54 0.00 0.00 -4.06 0.00 0.00 30.24 26.13 1y1b n GLN 11 CO 0.00 0.00 0.00 -0.47 -0.20 0.00 0.00 177.06 176.39 1y1b s TYR 12 N -0.32 -0.29 -0.33 3.69 5.04 -1.26 -5.03 117.35 118.84 1y1b s TYR 12 Ca 0.00 0.13 0.17 0.00 -2.44 0.00 0.00 57.07 54.92 1y1b s TYR 12 Cb 0.00 0.05 0.44 0.00 0.35 0.00 0.00 41.96 42.80 1y1b s TYR 12 CO 0.00 -0.18 0.93 -3.47 -1.34 0.00 0.00 175.55 171.49 1y1b n ASP 13 N 4.58 1.53 -4.39 4.32 2.03 0.22 -5.03 116.55 119.80 1y1b n ASP 13 Ca 0.08 -2.80 -0.52 0.00 0.52 0.00 0.00 54.79 52.07 1y1b n ASP 13 Cb 0.60 -0.54 -0.09 0.00 -0.72 0.00 0.00 41.12 40.38 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 -0.04 0.74 -5.16 -0.67 -0.04 -0.11 -3.51 135.00 126.20 1y1b n PRO 14 Ca 0.12 0.19 -0.32 0.00 -0.04 0.00 0.00 63.50 63.46 1y1b n PRO 14 Cb 0.79 -2.18 -0.16 0.00 -0.04 0.00 0.00 33.50 31.91 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 7.14 2.33 -0.22 0.52 -7.23 0.68 -1.05 120.40 122.57 1y1b s VAL 15 Ca 1.13 -0.98 -0.29 0.00 -1.81 0.00 0.00 61.98 60.03 1y1b s VAL 15 Cb -1.03 -1.86 0.00 0.00 0.56 0.00 0.00 36.38 34.05 1y1b s VAL 15 CO 0.53 0.57 1.09 0.00 -0.31 0.00 0.00 175.10 176.98 1y1b s GLY 17 N 1.37 1.94 -0.86 0.00 0.00 0.22 -1.62 107.32 108.38 1y1b s GLY 17 Ca 0.46 -0.75 -0.22 0.00 0.00 0.00 0.00 44.72 44.22 1y1b s GLY 17 CO 0.08 -0.39 2.40 -1.26 0.00 0.00 0.00 173.10 173.93 1y1b n SER 18 N 2.39 0.39 0.00 1.64 2.88 0.46 -1.42 113.62 119.95 1y1b n SER 18 Ca -0.19 -0.56 0.00 0.00 -1.33 0.00 0.00 58.87 56.80 1y1b n SER 18 Cb 0.54 -1.07 0.00 0.00 -0.75 0.00 0.00 64.21 62.93 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 11.62 0.00 0.00 -3.46 2.03 -1.26 -3.03 116.55 122.44 1y1b n ASP 19 Ca 0.57 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.88 1y1b n ASP 19 Cb 0.25 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.65 1y1b n ASP 19 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1y1b n GLY 20 N 0.00 1.70 2.85 0.27 0.00 -0.51 -5.12 105.19 104.38 1y1b n GLY 20 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 0.20 -0.70 -0.61 -1.09 -1.20 -5.00 121.20 110.80 1y1b s ILE 21 Ca 0.00 0.02 -0.21 0.00 -2.23 0.00 0.00 60.65 58.23 1y1b s ILE 21 Cb 0.00 -0.26 0.09 0.00 -1.58 0.00 0.00 42.46 40.71 1y1b s ILE 21 CO 0.00 0.13 0.96 -0.89 -1.23 0.00 0.00 174.94 173.91 1y1b s THR 22 N 0.73 4.47 0.11 2.92 2.01 -1.26 -0.61 115.64 124.01 1y1b s THR 22 Ca -0.07 -0.69 -0.30 0.00 0.31 0.00 0.00 61.69 60.94 1y1b s THR 22 Cb -0.10 -4.68 -0.06 0.00 0.01 0.00 0.00 72.50 67.67 1y1b s THR 22 CO -0.01 -1.42 0.98 -0.31 -0.69 0.00 0.00 174.62 173.16 1y1b s TYR 23 N 3.61 3.78 0.43 4.92 2.02 0.96 -4.71 117.35 128.36 1y1b s TYR 23 Ca 0.23 1.77 0.37 0.00 -0.37 0.00 0.00 57.07 59.07 1y1b s TYR 23 Cb -0.15 -3.09 1.37 0.00 -0.40 0.00 0.00 41.96 39.69 1y1b s TYR 23 CO 0.06 0.09 1.29 0.41 -1.57 0.00 0.00 175.55 175.83 1y1b n GLY 24 N 2.28 -0.78 3.58 0.71 0.00 -1.26 -0.23 105.19 109.48 1y1b n GLY 24 Ca 0.03 0.59 -0.13 0.00 0.00 0.00 0.00 46.02 46.51 1y1b n GLY 24 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1y1b s ASN 25 N -4.03 -0.52 0.57 1.61 0.01 -1.23 0.70 114.94 112.05 1y1b s ASN 25 Ca -0.05 0.71 0.28 0.00 -0.71 0.00 0.00 52.86 53.09 1y1b s ASN 25 Cb 0.23 0.61 1.51 0.00 0.41 0.00 0.00 41.25 44.01 1y1b s ASN 25 CO 0.72 -0.38 1.99 0.00 -1.51 0.00 0.00 177.10 177.92 1y1b h ALA 26 N 3.27 2.17 -0.08 0.60 0.00 -1.76 0.48 119.26 123.94 1y1b h ALA 26 Ca -0.24 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.41 1y1b h ALA 26 Cb 1.16 0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.99 1y1b h ALA 26 CO 0.27 -0.57 -0.90 0.00 0.00 0.00 0.00 179.25 178.05 1y1b h MET 28 N 0.46 0.00 0.06 0.00 2.86 -0.45 -1.64 114.93 116.22 1y1b h MET 28 Ca -0.09 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.55 1y1b h MET 28 Cb 1.54 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.20 1y1b h MET 28 CO 0.18 0.00 -0.03 -0.07 1.06 0.00 0.00 176.91 178.05 1y1b h LEU 29 N 0.00 -0.07 -1.92 1.22 3.38 -1.03 -2.60 115.31 114.29 1y1b h LEU 29 Ca 0.00 -0.56 0.28 0.00 0.09 0.00 0.00 57.88 57.69 1y1b h LEU 29 Cb 0.04 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 1y1b h LEU 29 CO -0.00 0.63 0.76 -0.07 0.09 0.00 0.00 178.44 179.85 1y1b h LEU 30 N -0.88 0.00 -0.25 1.67 3.38 -1.08 2.36 115.31 120.51 1y1b h LEU 30 Ca -0.01 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.76 1y1b h LEU 30 Cb 0.63 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1y1b h LEU 30 CO 0.01 0.00 -0.90 1.23 0.09 0.00 0.00 178.44 178.88 1y1b h GLY 31 N 0.00 0.15 0.01 0.83 0.00 -1.41 -2.29 103.07 100.37 1y1b h GLY 31 Ca 0.46 -0.29 -0.00 0.00 0.00 0.00 0.00 47.33 47.50 1y1b h GLY 31 CO -0.00 0.26 -0.00 0.00 0.00 0.00 0.00 176.54 176.79 1y1b h ALA 32 N 1.00 -0.00 -0.12 3.60 0.00 0.40 -2.42 119.26 121.72 1y1b h ALA 32 Ca -0.04 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 1y1b h ALA 32 Cb 1.54 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 1y1b h ALA 32 CO 0.13 -0.01 -0.01 0.66 0.00 0.00 0.00 179.25 180.02 1y1b h SER 33 N -0.99 0.15 0.87 0.00 4.64 0.16 0.58 113.55 118.96 1y1b h SER 33 Ca -0.00 -0.01 -0.10 0.00 -0.47 0.00 0.00 61.79 61.21 1y1b h SER 33 Cb 0.76 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.79 1y1b h SER 33 CO 0.00 0.19 -1.19 0.00 -0.87 0.00 0.00 176.83 174.96 1y1b n ARG 35 N -2.82 2.56 0.00 0.00 1.74 -0.91 -4.90 116.66 112.33 1y1b n ARG 35 Ca -0.05 -1.75 0.00 0.00 -0.77 0.00 0.00 57.85 55.27 1y1b n ARG 35 Cb 0.72 -1.17 0.00 0.00 -1.02 0.00 0.00 32.46 30.98 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 0.21 0.00 0.00 0.55 2.88 0.20 -4.98 113.62 112.47 1y1b n SER 36 Ca 0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 1y1b n SER 36 Cb 0.34 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.80 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 -1.26 -5.08 116.55 102.16 1y1b n ASP 37 Ca 0.00 0.00 -0.34 0.00 -1.51 0.00 0.00 54.79 52.94 1y1b n ASP 37 Cb 0.00 0.01 -0.12 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 -1.02 3.80 -1.02 5.18 -4.23 -1.26 -5.03 115.64 112.07 1y1b s THR 38 Ca 0.00 -0.40 -0.20 0.00 -1.18 0.00 0.00 61.69 59.91 1y1b s THR 38 Cb 0.00 -2.64 -0.09 0.00 1.34 0.00 0.00 72.50 71.11 1y1b s THR 38 CO 0.00 0.52 1.97 -0.81 -0.54 0.00 0.00 174.62 175.75 1y1b n PRO 39 N 3.28 1.90 -0.65 3.99 -0.04 -1.26 -4.51 135.00 137.71 1y1b n PRO 39 Ca -0.18 -2.21 -0.31 0.00 -0.04 0.00 0.00 63.50 60.76 1y1b n PRO 39 Cb 0.53 -3.18 0.17 0.00 -0.04 0.00 0.00 33.50 30.98 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 6.20 0.00 -4.27 0.52 -5.35 -1.26 -5.04 119.36 110.16 1y1b n ILE 40 Ca 0.49 -0.27 -0.15 0.00 -0.27 0.00 0.00 62.75 62.55 1y1b n ILE 40 Cb 0.42 -0.60 -0.05 0.00 -1.74 0.00 0.00 39.64 37.67 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 -2.09 0.54 -5.13 6.28 1.02 -1.17 -4.91 120.64 115.18 1y1b n GLU 41 Ca 0.01 -2.21 -0.30 0.00 -0.02 0.00 0.00 57.16 54.64 1y1b n GLU 41 Cb 0.61 1.42 -0.17 0.00 -0.02 0.00 0.00 31.44 33.28 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 2.02 -0.04 -4.62 1.98 -1.26 0.17 118.68 116.93 1y1b s LEU 42 Ca 0.18 -0.50 0.01 0.00 -2.89 0.00 0.00 54.13 50.93 1y1b s LEU 42 Cb 0.01 -1.29 -0.03 0.00 0.66 0.00 0.00 46.19 45.54 1y1b s LEU 42 CO 0.13 0.17 -0.03 0.52 -1.89 0.00 0.00 176.35 175.25 1y1b n VAL 43 N 3.35 0.22 -3.83 1.68 0.31 -0.64 -4.76 118.33 114.66 1y1b n VAL 43 Ca -0.19 -0.09 -0.12 0.00 -0.01 0.00 0.00 64.34 63.93 1y1b n VAL 43 Cb 0.53 -0.67 -0.10 0.00 -0.91 0.00 0.00 33.84 32.68 1y1b n VAL 43 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 1y1b s HIS 44 N -2.08 -0.09 -1.06 3.52 3.76 -1.13 -5.03 115.29 113.19 1y1b s HIS 44 Ca -0.05 0.16 -0.03 0.00 -0.15 0.00 0.00 55.06 54.99 1y1b s HIS 44 Cb 0.01 0.02 0.21 0.00 1.11 0.00 0.00 32.58 33.93 1y1b s HIS 44 CO 0.09 -0.26 2.20 0.36 -0.85 0.00 0.00 174.74 176.28 1y1b n LYS 45 N 1.85 4.45 0.00 1.40 2.85 -1.26 0.49 118.16 127.93 1y1b n LYS 45 Ca -0.20 -3.77 0.00 0.00 -1.05 0.00 0.00 58.31 53.30 1y1b n LYS 45 Cb 0.56 -2.47 0.00 0.00 -0.65 0.00 0.00 35.03 32.47 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 0.73 1.50 2.38 2.58 0.00 -0.22 -4.69 105.19 107.47 1y1b n GLY 46 Ca 0.54 -0.46 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 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 3.62 -0.06 1.61 1.74 -1.26 -2.31 116.66 120.01 1y1b n ARG 47 Ca 0.00 -2.61 0.00 0.00 -0.77 0.00 0.00 57.85 54.47 1y1b n ARG 47 Cb 0.00 -2.50 0.00 0.00 -1.02 0.00 0.00 32.46 28.94 1y1b n ARG 47 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11