#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fdn s TYR 2 N 0.00 3.50 -0.01 0.00 1.51 -1.26 -1.77 117.35 119.33 1fdn s TYR 2 Ca 0.00 0.38 0.01 0.00 -1.01 0.00 0.00 57.07 56.46 1fdn s TYR 2 Cb 0.00 -1.92 0.00 0.00 -0.11 0.00 0.00 41.96 39.93 1fdn s TYR 2 CO 0.00 0.11 -0.05 0.54 -1.11 0.00 0.00 175.55 175.05 1fdn s VAL 3 N -2.32 0.40 -0.23 0.71 0.11 -0.01 -4.81 120.40 114.25 1fdn s VAL 3 Ca 0.40 -0.18 -0.25 0.00 -2.93 0.00 0.00 61.98 59.02 1fdn s VAL 3 Cb -0.10 -0.36 -0.00 0.00 -1.53 0.00 0.00 36.38 34.39 1fdn s VAL 3 CO 0.36 0.13 0.87 -0.63 -3.33 0.00 0.00 175.10 172.49 1fdn s ILE 4 N 0.07 4.82 0.08 7.04 1.01 -1.26 -0.90 121.20 132.05 1fdn s ILE 4 Ca -0.00 1.66 -0.00 0.00 0.00 0.00 0.00 60.65 62.30 1fdn s ILE 4 Cb -0.04 -4.15 0.02 0.00 0.01 0.00 0.00 42.46 38.29 1fdn s ILE 4 CO -0.00 -0.08 0.11 -0.46 0.00 0.00 0.00 174.94 174.51 1fdn n ASN 5 N 5.94 0.10 0.05 3.58 0.23 -0.36 -4.95 115.26 119.85 1fdn n ASN 5 Ca 0.07 -1.09 0.09 0.00 -0.53 0.00 0.00 54.58 53.11 1fdn n ASN 5 Cb 0.47 -0.07 0.37 0.00 -2.08 0.00 0.00 39.78 38.47 1fdn n ASN 5 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1fdn n GLU 6 N -1.20 0.07 0.21 -3.83 1.02 -1.26 -2.64 120.64 113.01 1fdn n GLU 6 Ca 0.02 0.32 0.15 0.00 -0.02 0.00 0.00 57.16 57.62 1fdn n GLU 6 Cb 0.06 -1.63 0.65 0.00 -0.02 0.00 0.00 31.44 30.49 1fdn n GLU 6 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1fdn h ALA 7 N 2.41 1.00 -1.95 0.62 0.00 -1.93 -3.45 119.26 115.95 1fdn h ALA 7 Ca 0.00 0.00 -0.64 0.00 0.00 0.00 0.00 54.91 54.27 1fdn h ALA 7 Cb 0.28 0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.13 1fdn h ALA 7 CO 0.00 0.00 0.64 0.00 0.00 0.00 0.00 179.25 179.89 1fdn n ILE 9 N 3.09 1.62 -3.90 0.00 -5.35 -1.26 -4.91 119.36 108.65 1fdn n ILE 9 Ca 0.18 -1.22 -0.30 0.00 -0.27 0.00 0.00 62.75 61.14 1fdn n ILE 9 Cb 0.23 0.20 0.03 0.00 -1.74 0.00 0.00 39.64 38.37 1fdn n ILE 9 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1fdn n SER 10 N 0.86 -4.90 0.21 7.28 7.64 -1.26 -4.89 113.62 118.55 1fdn n SER 10 Ca 0.22 -0.76 0.08 0.00 1.01 0.00 0.00 58.87 59.42 1fdn n SER 10 Cb 0.76 -3.96 0.37 0.00 -1.01 0.00 0.00 64.21 60.38 1fdn n SER 10 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1fdn n GLY 12 N 0.34 1.05 0.23 0.00 0.00 -1.26 -4.92 105.19 100.62 1fdn n GLY 12 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.10 1fdn n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fdn h ALA 13 N 0.00 1.48 0.01 4.61 0.00 -1.92 -3.03 119.26 120.41 1fdn h ALA 13 Ca 0.00 -0.18 -0.19 0.00 0.00 0.00 0.00 54.91 54.53 1fdn h ALA 13 Cb 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1fdn h ALA 13 CO 0.00 0.25 -0.91 0.00 0.00 0.00 0.00 179.25 178.60 1fdn h GLU 15 N 0.03 -0.11 0.00 0.00 4.81 -1.87 -0.28 114.58 117.16 1fdn h GLU 15 Ca -0.02 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1fdn h GLU 15 Cb 1.58 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.98 1fdn h GLU 15 CO 0.13 -0.07 -0.05 -1.35 -0.73 0.00 0.00 179.01 176.93 1fdn h PRO 16 N -0.11 0.00 0.00 0.92 0.11 -1.78 -3.20 132.00 127.93 1fdn h PRO 16 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1fdn h PRO 16 Cb 0.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.42 1fdn h PRO 16 CO -0.31 0.05 -0.39 0.39 -0.21 0.00 0.00 178.00 177.52 1fdn n GLU 17 N -3.67 0.17 -1.92 1.05 -0.58 -0.13 -4.81 120.64 110.76 1fdn n GLU 17 Ca -0.02 0.07 -0.42 0.00 -0.42 0.00 0.00 57.16 56.37 1fdn n GLU 17 Cb 0.15 -1.63 -0.03 0.00 -0.57 0.00 0.00 31.44 29.36 1fdn n GLU 17 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1fdn h PRO 19 N 9.64 0.00 -0.05 0.00 0.13 -1.93 -2.82 132.00 136.97 1fdn h PRO 19 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1fdn h PRO 19 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1fdn h PRO 19 CO 0.95 0.00 0.00 1.33 -0.23 0.00 0.00 178.00 180.05 1fdn n VAL 20 N -3.03 1.76 -3.70 1.56 0.24 -1.26 -5.00 118.33 108.90 1fdn n VAL 20 Ca -0.01 -1.94 -0.26 0.00 -2.04 0.00 0.00 64.34 60.08 1fdn n VAL 20 Cb 0.18 -0.08 0.05 0.00 -1.47 0.00 0.00 33.84 32.52 1fdn n VAL 20 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1fdn n ASN 21 N -1.07 -5.74 -0.03 -1.34 4.13 -1.07 -4.90 115.26 105.24 1fdn n ASN 21 Ca 0.14 -0.62 0.13 0.00 1.68 0.00 0.00 54.58 55.91 1fdn n ASN 21 Cb 0.60 -4.54 0.47 0.00 -1.54 0.00 0.00 39.78 34.76 1fdn n ASN 21 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1fdn n ALA 22 N -4.79 2.92 -2.81 5.41 0.00 -1.26 -4.86 120.51 115.12 1fdn n ALA 22 Ca 0.02 -0.24 -0.36 0.00 0.00 0.00 0.00 53.44 52.86 1fdn n ALA 22 Cb 0.55 -1.29 -0.08 0.00 0.00 0.00 0.00 19.45 18.63 1fdn n ALA 22 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1fdn s ILE 23 N -2.87 5.15 0.14 0.00 1.01 -1.26 -0.91 121.20 122.46 1fdn s ILE 23 Ca 0.16 0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.90 1fdn s ILE 23 Cb 0.19 -3.27 -0.04 0.00 0.01 0.00 0.00 42.46 39.34 1fdn s ILE 23 CO 0.58 0.55 0.03 -0.94 0.00 0.00 0.00 174.94 175.16 1fdn s SER 24 N -0.44 0.67 0.14 3.58 1.04 -0.79 -4.89 113.70 113.02 1fdn s SER 24 Ca 0.11 -1.18 -0.30 0.00 0.48 0.00 0.00 55.95 55.06 1fdn s SER 24 Cb -0.12 0.22 -0.07 0.00 0.10 0.00 0.00 66.02 66.15 1fdn s SER 24 CO 0.02 -0.66 1.12 -0.55 0.98 0.00 0.00 173.24 174.15 1fdn s SER 25 N -3.09 7.22 0.00 7.02 0.15 -1.26 -1.05 113.70 122.70 1fdn s SER 25 Ca 0.23 2.05 0.00 0.00 0.70 0.00 0.00 55.95 58.92 1fdn s SER 25 Cb 0.07 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 1fdn s SER 25 CO 0.02 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 174.78 1fdn n GLY 26 N 2.38 4.34 3.70 9.45 0.00 -0.88 -4.83 105.19 119.34 1fdn n GLY 26 Ca 0.04 -2.09 -0.42 0.00 0.00 0.00 0.00 46.02 43.55 1fdn n GLY 26 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1fdn s ASP 27 N -0.89 7.25 0.00 1.61 1.01 -1.26 -4.28 116.67 120.11 1fdn s ASP 27 Ca 0.00 1.52 0.00 0.00 0.71 0.00 0.00 52.55 54.78 1fdn s ASP 27 Cb 0.00 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.39 1fdn s ASP 27 CO 0.00 -0.32 0.00 0.47 0.21 0.00 0.00 175.17 175.53 1fdn n ASP 28 N 4.38 0.00 -3.94 0.27 8.00 -1.26 -4.86 116.55 119.14 1fdn n ASP 28 Ca 0.06 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.47 1fdn n ASP 28 Cb 0.50 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.56 1fdn n ASP 28 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1fdn s ARG 29 N 0.00 1.58 0.68 -1.24 1.70 -1.26 -4.79 118.95 115.62 1fdn s ARG 29 Ca 0.00 -1.15 -0.12 0.00 -0.47 0.00 0.00 55.73 53.99 1fdn s ARG 29 Cb 0.00 0.51 0.01 0.00 -0.57 0.00 0.00 34.95 34.89 1fdn s ARG 29 CO 0.00 -0.68 1.07 0.71 -1.08 0.00 0.00 175.30 175.32 1fdn s TYR 30 N -3.98 2.92 0.02 5.89 1.51 -1.26 -2.08 117.35 120.37 1fdn s TYR 30 Ca 0.18 1.48 0.04 0.00 -1.01 0.00 0.00 57.07 57.77 1fdn s TYR 30 Cb -0.02 -2.97 -0.02 0.00 -0.11 0.00 0.00 41.96 38.84 1fdn s TYR 30 CO 0.07 -1.36 -0.13 0.08 -1.11 0.00 0.00 175.55 173.10 1fdn s VAL 31 N -2.80 1.02 -0.19 0.71 1.01 -0.21 -4.71 120.40 115.23 1fdn s VAL 31 Ca 0.61 -0.77 -0.09 0.00 0.00 0.00 0.00 61.98 61.73 1fdn s VAL 31 Cb -0.16 -0.89 -0.05 0.00 0.00 0.00 0.00 36.38 35.28 1fdn s VAL 31 CO 0.49 0.12 0.13 -0.63 0.00 0.00 0.00 175.10 175.21 1fdn s ILE 32 N -0.59 5.37 -0.54 2.22 1.01 -1.26 -1.88 121.20 125.52 1fdn s ILE 32 Ca 0.03 0.17 -0.28 0.00 0.00 0.00 0.00 60.65 60.57 1fdn s ILE 32 Cb -0.06 -3.43 0.02 0.00 0.01 0.00 0.00 42.46 38.99 1fdn s ILE 32 CO 0.00 0.47 1.34 -0.62 0.00 0.00 0.00 174.94 176.14 1fdn s ASP 33 N 0.14 6.26 0.51 3.58 2.15 -0.08 -4.88 116.67 124.35 1fdn s ASP 33 Ca 0.09 0.32 0.34 0.00 0.43 0.00 0.00 52.55 53.72 1fdn s ASP 33 Cb -0.11 -2.55 1.54 0.00 -0.30 0.00 0.00 42.92 41.50 1fdn s ASP 33 CO -0.01 -1.60 2.01 0.00 -0.17 0.00 0.00 175.17 175.40 1fdn h ALA 34 N 10.54 1.00 -0.04 3.66 0.00 -1.89 -1.28 119.26 131.25 1fdn h ALA 34 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1fdn h ALA 34 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1fdn h ALA 34 CO 1.17 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 180.17 1fdn n ASP 35 N -2.89 0.71 0.00 0.00 8.00 -1.26 -3.99 116.55 117.13 1fdn n ASP 35 Ca -0.00 -1.39 0.00 0.00 0.71 0.00 0.00 54.79 54.11 1fdn n ASP 35 Cb 0.22 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.30 1fdn n ASP 35 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1fdn n THR 36 N -0.38 0.00 -1.71 -3.53 -1.04 -0.56 -5.06 114.28 102.01 1fdn n THR 36 Ca 0.18 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.76 1fdn n THR 36 Cb 0.20 -0.53 -0.03 0.00 -1.82 0.00 0.00 70.33 68.15 1fdn n THR 36 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1fdn n ILE 38 N 3.53 2.45 -2.71 0.00 -6.64 -1.26 -4.61 119.36 110.12 1fdn n ILE 38 Ca 0.15 -2.46 -0.20 0.00 -1.77 0.00 0.00 62.75 58.47 1fdn n ILE 38 Cb 0.33 -0.30 0.01 0.00 -1.44 0.00 0.00 39.64 38.24 1fdn n ILE 38 CO 0.00 0.00 0.00 0.47 -1.77 0.00 0.00 176.55 175.25 1fdn n ASP 39 N -0.96 -5.43 0.24 7.28 8.00 -1.26 -4.90 116.55 119.52 1fdn n ASP 39 Ca 0.29 -0.11 0.13 0.00 0.71 0.00 0.00 54.79 55.81 1fdn n ASP 39 Cb 0.98 -4.48 0.51 0.00 -0.02 0.00 0.00 41.12 38.11 1fdn n ASP 39 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1fdn n GLY 41 N 0.22 0.91 0.35 0.00 0.00 -1.26 -4.93 105.19 100.48 1fdn n GLY 41 Ca 0.01 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.06 1fdn n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fdn h ALA 42 N 0.00 1.36 -0.81 4.61 0.00 -1.93 -2.58 119.26 119.91 1fdn h ALA 42 Ca 0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1fdn h ALA 42 Cb 0.00 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 1fdn h ALA 42 CO 0.00 0.31 0.36 0.00 0.00 0.00 0.00 179.25 179.92 1fdn h ALA 44 N 1.19 1.29 0.00 0.00 0.00 -1.75 -2.22 119.26 117.78 1fdn h ALA 44 Ca 0.28 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1fdn h ALA 44 Cb 0.16 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1fdn h ALA 44 CO -0.03 0.47 -0.25 0.78 0.00 0.00 0.00 179.25 180.23 1fdn h GLY 45 N 0.88 0.00 -1.90 0.00 0.00 -1.01 -2.59 103.07 98.46 1fdn h GLY 45 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.44 1fdn h GLY 45 CO 0.02 0.00 0.00 3.33 0.00 0.00 0.00 176.54 179.89 1fdn n VAL 46 N -3.78 0.79 -3.03 4.60 0.24 -1.01 -4.94 118.33 111.20 1fdn n VAL 46 Ca -0.01 -0.90 -0.41 0.00 -2.04 0.00 0.00 64.34 60.97 1fdn n VAL 46 Cb 0.35 0.68 -0.06 0.00 -1.47 0.00 0.00 33.84 33.34 1fdn n VAL 46 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1fdn h PRO 48 N 8.09 0.54 -0.36 0.00 0.13 -1.92 -2.55 132.00 135.92 1fdn h PRO 48 Ca -0.25 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1fdn h PRO 48 Cb 1.11 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1fdn h PRO 48 CO 0.84 0.36 0.00 1.33 -0.23 0.00 0.00 178.00 180.29 1fdn n VAL 49 N -4.48 0.58 -3.89 1.56 0.24 -1.26 -4.99 118.33 106.09 1fdn n VAL 49 Ca 0.03 -0.79 -0.27 0.00 -2.04 0.00 0.00 64.34 61.27 1fdn n VAL 49 Cb 0.06 0.88 0.01 0.00 -1.47 0.00 0.00 33.84 33.33 1fdn n VAL 49 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1fdn n ASP 50 N 1.20 -2.59 0.09 -1.34 2.03 -0.96 -4.94 116.55 110.03 1fdn n ASP 50 Ca 0.17 -0.86 -0.07 0.00 0.52 0.00 0.00 54.79 54.54 1fdn n ASP 50 Cb 0.53 -3.64 0.06 0.00 -0.72 0.00 0.00 41.12 37.34 1fdn n ASP 50 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1fdn h ALA 51 N 0.90 0.69 -2.39 -1.67 0.00 -1.91 -3.44 119.26 111.45 1fdn h ALA 51 Ca -0.60 -0.63 -0.54 0.00 0.00 0.00 0.00 54.91 53.13 1fdn h ALA 51 Cb 1.37 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1fdn h ALA 51 CO 0.64 0.82 0.88 -2.14 0.00 0.00 0.00 179.25 179.46 1fdn s PRO 52 N -3.48 4.26 0.02 0.00 0.02 -1.26 -1.22 135.00 133.34 1fdn s PRO 52 Ca -0.03 2.06 0.04 0.00 0.02 0.00 0.00 61.00 63.09 1fdn s PRO 52 Cb 0.11 -3.59 -0.02 0.00 0.02 0.00 0.00 34.50 31.03 1fdn s PRO 52 CO 0.81 -0.62 -0.13 0.14 -0.33 0.00 0.00 177.00 176.87 1fdn s VAL 53 N 2.50 1.06 0.04 3.83 -7.23 -0.07 -4.69 120.40 115.83 1fdn s VAL 53 Ca 0.67 -0.86 -0.31 0.00 -1.81 0.00 0.00 61.98 59.67 1fdn s VAL 53 Cb -0.34 -0.94 -0.06 0.00 0.56 0.00 0.00 36.38 35.61 1fdn s VAL 53 CO 0.28 0.08 1.28 -1.58 -0.31 0.00 0.00 175.10 174.85 1fdn s GLN 54 N -0.89 4.37 0.00 4.82 0.74 -1.26 -0.83 119.66 126.61 1fdn s GLN 54 Ca 0.02 1.86 0.06 0.00 0.05 0.00 0.00 55.36 57.34 1fdn s GLN 54 Cb -0.07 -3.41 0.04 0.00 1.10 0.00 0.00 33.01 30.68 1fdn s GLN 54 CO 0.01 -0.39 0.67 0.00 -0.55 0.00 0.00 175.29 175.03