#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fmd n GLY 16 N 0.00 1.60 3.58 5.00 0.00 -1.26 -4.88 105.19 109.23 1fmd n GLY 16 Ca 0.00 -1.70 -0.41 0.00 0.00 0.00 0.00 46.02 43.91 1fmd n GLY 16 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1fmd s ASN 17 N -1.00 6.57 -0.10 1.61 3.84 -1.26 -4.83 114.94 119.77 1fmd s ASN 17 Ca 0.00 -2.22 -0.05 0.00 0.21 0.00 0.00 52.86 50.80 1fmd s ASN 17 Cb 0.00 -2.58 0.05 0.00 -0.55 0.00 0.00 41.25 38.17 1fmd s ASN 17 CO 0.00 -1.45 0.23 -0.89 -2.79 0.00 0.00 177.10 172.21 1fmd s THR 18 N 5.16 -0.07 -0.32 -5.21 2.01 -1.26 -5.08 115.64 110.86 1fmd s THR 18 Ca 0.55 0.16 0.17 0.00 0.31 0.00 0.00 61.69 62.88 1fmd s THR 18 Cb 0.03 -0.37 0.45 0.00 0.01 0.00 0.00 72.50 72.62 1fmd s THR 18 CO 0.06 0.07 1.13 0.61 -0.69 0.00 0.00 174.62 175.80 1fmd n GLY 19 N 4.32 1.59 3.81 4.40 0.00 -1.26 -4.57 105.19 113.49 1fmd n GLY 19 Ca -0.24 -0.89 -0.38 0.00 0.00 0.00 0.00 46.02 44.52 1fmd n GLY 19 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1fmd s SER 20 N -2.69 6.80 0.05 1.61 0.01 -1.26 -4.97 113.70 113.24 1fmd s SER 20 Ca 0.24 0.95 0.07 0.00 1.31 0.00 0.00 55.95 58.52 1fmd s SER 20 Cb 0.41 -2.26 -0.23 0.00 0.21 0.00 0.00 66.02 64.15 1fmd s SER 20 CO -0.02 0.27 1.01 0.16 0.41 0.00 0.00 173.24 175.06 1fmd h ILE 21 N 3.88 1.34 -3.50 1.44 3.07 -2.08 -3.46 117.51 118.20 1fmd h ILE 21 Ca -0.49 -3.08 -0.53 0.00 1.55 0.00 0.00 64.86 62.30 1fmd h ILE 21 Cb 1.21 2.70 -0.03 0.00 -0.27 0.00 0.00 36.82 40.42 1fmd h ILE 21 CO 0.64 0.79 0.06 0.27 -1.05 0.00 0.00 178.15 178.86 1fmd s ILE 22 N -2.66 4.64 0.68 0.16 -5.25 -1.26 -5.04 121.20 112.47 1fmd s ILE 22 Ca -0.03 1.18 -0.15 0.00 -0.99 0.00 0.00 60.65 60.67 1fmd s ILE 22 Cb 0.09 -3.84 0.01 0.00 2.95 0.00 0.00 42.46 41.67 1fmd s ILE 22 CO 0.83 0.23 1.13 0.54 -1.79 0.00 0.00 174.94 175.89 1fmd s ASN 23 N -1.64 4.84 0.36 4.36 4.22 -1.26 -4.95 114.94 120.87 1fmd s ASN 23 Ca 0.41 2.09 -0.26 0.00 -2.14 0.00 0.00 52.86 52.96 1fmd s ASN 23 Cb -0.16 -2.56 -0.12 0.00 1.28 0.00 0.00 41.25 39.69 1fmd s ASN 23 CO 0.21 -1.81 1.12 -3.20 -2.04 0.00 0.00 177.10 171.37 1fmd n ASN 24 N -2.53 1.85 0.18 3.54 2.85 -1.26 -4.88 115.26 115.01 1fmd n ASN 24 Ca 0.11 1.13 0.03 0.00 -0.11 0.00 0.00 54.58 55.74 1fmd n ASN 24 Cb 0.52 -1.39 0.32 0.00 1.24 0.00 0.00 39.78 40.46 1fmd n ASN 24 CO 0.00 0.00 0.00 0.22 -2.11 0.00 0.00 177.26 175.37 1fmd h TYR 25 N 2.01 0.00 -3.11 1.20 5.03 -2.07 -3.44 116.97 116.58 1fmd h TYR 25 Ca -0.44 0.00 -0.55 0.00 2.58 0.00 0.00 58.73 60.32 1fmd h TYR 25 Cb 1.32 0.00 -0.03 0.00 1.55 0.00 0.00 36.73 39.57 1fmd h TYR 25 CO 0.47 0.43 -0.26 0.71 -1.32 0.00 0.00 178.16 178.19 1fmd s TYR 26 N -3.78 3.47 0.63 -3.82 2.02 -1.26 -5.06 117.35 109.55 1fmd s TYR 26 Ca -0.01 0.55 -0.18 0.00 -0.37 0.00 0.00 57.07 57.06 1fmd s TYR 26 Cb 0.12 -2.01 -0.01 0.00 -0.40 0.00 0.00 41.96 39.66 1fmd s TYR 26 CO 0.71 0.35 1.22 -1.64 -1.57 0.00 0.00 175.55 174.62 1fmd s MET 27 N -3.04 2.71 0.41 -0.62 -1.94 -1.26 -4.83 119.30 110.74 1fmd s MET 27 Ca 0.42 1.85 0.29 0.00 -1.71 0.00 0.00 55.69 56.54 1fmd s MET 27 Cb -0.11 -1.89 1.26 0.00 2.01 0.00 0.00 34.83 36.09 1fmd s MET 27 CO 0.27 -1.42 1.87 0.37 -0.01 0.00 0.00 175.02 176.10 1fmd h GLN 28 N 0.55 0.00 0.00 2.03 4.15 -1.96 -1.87 115.11 118.01 1fmd h GLN 28 Ca -0.50 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 58.92 1fmd h GLN 28 Cb 1.30 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.99 1fmd h GLN 28 CO 0.54 0.00 -0.02 0.37 -1.93 0.00 0.00 178.83 177.79 1fmd h GLN 29 N 0.00 0.00 0.00 1.69 4.15 -1.90 -2.10 115.11 116.95 1fmd h GLN 29 Ca 0.00 0.00 -0.30 0.00 0.77 0.00 0.00 58.65 59.12 1fmd h GLN 29 Cb 0.38 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.01 1fmd h GLN 29 CO 0.00 0.02 -2.14 0.66 -1.93 0.00 0.00 178.83 175.44 1fmd n TYR 30 N -3.12 0.00 -0.19 3.99 4.01 -0.79 -4.55 117.16 116.51 1fmd n TYR 30 Ca 0.01 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.70 1fmd n TYR 30 Cb 0.32 -0.78 0.13 0.00 -0.31 0.00 0.00 39.34 38.71 1fmd n TYR 30 CO 0.00 0.00 0.00 0.37 -0.46 0.00 0.00 176.86 176.77 1fmd h GLN 31 N 0.00 0.96 0.00 -0.72 5.75 -1.36 -3.46 115.11 116.29 1fmd h GLN 31 Ca -0.45 -0.21 -0.59 0.00 -0.15 0.00 0.00 58.65 57.26 1fmd h GLN 31 Cb 1.74 -0.14 -0.13 0.00 1.07 0.00 0.00 27.48 30.03 1fmd h GLN 31 CO -0.05 0.86 -0.49 0.09 -2.65 0.00 0.00 178.83 176.59 1fmd n ASN 32 N -4.25 1.31 -4.86 -0.69 4.13 -0.79 -5.09 115.26 105.01 1fmd n ASN 32 Ca 0.05 -3.28 -0.35 0.00 1.68 0.00 0.00 54.58 52.68 1fmd n ASN 32 Cb 0.24 1.06 -0.05 0.00 -1.54 0.00 0.00 39.78 39.49 1fmd n ASN 32 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1fmd s SER 33 N -3.63 6.68 -0.10 6.41 1.04 -1.26 -4.68 113.70 118.15 1fmd s SER 33 Ca 0.21 0.86 -0.12 0.00 0.48 0.00 0.00 55.95 57.38 1fmd s SER 33 Cb 0.01 -2.20 -0.05 0.00 0.10 0.00 0.00 66.02 63.88 1fmd s SER 33 CO 0.15 0.14 0.29 -0.04 0.98 0.00 0.00 173.24 174.76 1fmd s MET 34 N -1.99 3.94 0.28 4.02 1.00 -1.26 -5.06 119.30 120.24 1fmd s MET 34 Ca 0.35 0.13 -0.05 0.00 0.00 0.00 0.00 55.69 56.12 1fmd s MET 34 Cb -0.14 -3.30 -0.05 0.00 0.00 0.00 0.00 34.83 31.33 1fmd s MET 34 CO 0.19 0.52 0.55 -0.51 0.00 0.00 0.00 175.02 175.77 1fmd s ASP 35 N -0.39 6.46 0.23 3.03 1.11 -1.26 -5.09 116.67 120.76 1fmd s ASP 35 Ca 0.18 0.74 0.11 0.00 0.18 0.00 0.00 52.55 53.76 1fmd s ASP 35 Cb -0.14 -2.15 -0.05 0.00 1.07 0.00 0.00 42.92 41.65 1fmd s ASP 35 CO 0.07 -0.18 -0.17 0.42 1.18 0.00 0.00 175.17 176.48 1fmd s THR 36 N -2.06 2.70 0.23 -1.27 -4.23 -1.26 -5.14 115.64 104.61 1fmd s THR 36 Ca 0.44 -2.06 0.09 0.00 -1.18 0.00 0.00 61.69 58.99 1fmd s THR 36 Cb -0.11 -2.36 -0.04 0.00 1.34 0.00 0.00 72.50 71.33 1fmd s THR 36 CO 0.29 -0.24 -0.07 -1.58 -0.54 0.00 0.00 174.62 172.48 1fmd s GLN 37 N -3.09 2.11 -0.21 3.99 2.00 -1.26 -5.13 119.66 118.08 1fmd s GLN 37 Ca 0.26 -1.38 -0.08 0.00 -2.00 0.00 0.00 55.36 52.15 1fmd s GLN 37 Cb -0.07 -2.12 0.09 0.00 0.80 0.00 0.00 33.01 31.71 1fmd s GLN 37 CO 0.14 0.40 0.47 -1.17 -0.50 0.00 0.00 175.29 174.62 1fmd s LEU 38 N -3.24 -0.61 0.00 3.68 0.20 -1.26 -5.36 118.68 112.10 1fmd s LEU 38 Ca 0.28 1.08 0.00 0.00 0.69 0.00 0.00 54.13 56.18 1fmd s LEU 38 Cb -0.07 1.54 0.00 0.00 -0.43 0.00 0.00 46.19 47.23 1fmd s LEU 38 CO 0.17 -0.22 0.00 0.61 -0.29 0.00 0.00 176.35 176.62 1fmd n GLY 39 N 5.07 -0.62 0.82 7.98 0.00 -1.26 -5.36 105.19 111.82 1fmd n GLY 39 Ca -0.13 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.34 1fmd n GLY 39 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1fmd n ASN 65 N 0.00 0.00 -4.00 1.61 2.85 -1.26 -5.37 115.26 109.10 1fmd n ASN 65 Ca 0.00 0.55 -0.08 0.00 -0.11 0.00 0.00 54.58 54.94 1fmd n ASN 65 Cb 0.00 -0.82 -0.10 0.00 1.24 0.00 0.00 39.78 40.10 1fmd n ASN 65 CO 0.00 0.00 0.00 -1.81 -2.11 0.00 0.00 177.26 173.34 1fmd s ASP 66 N -0.41 0.31 0.00 1.20 1.11 -1.26 -5.10 116.67 112.52 1fmd s ASP 66 Ca 0.00 -0.70 0.00 0.00 0.18 0.00 0.00 52.55 52.03 1fmd s ASP 66 Cb 0.00 0.19 0.00 0.00 1.07 0.00 0.00 42.92 44.18 1fmd s ASP 66 CO 0.00 -0.50 0.00 1.87 1.18 0.00 0.00 175.17 177.72 1fmd n TRP 67 N 0.70 0.00 -0.10 4.23 -0.00 -1.26 -2.82 117.44 118.19 1fmd n TRP 67 Ca -0.18 0.00 0.15 0.00 -0.00 0.00 0.00 57.50 57.46 1fmd n TRP 67 Cb 0.59 0.00 0.53 0.00 -0.00 0.00 0.00 31.31 32.43 1fmd n TRP 67 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 177.69 178.43 1fmd h PHE 68 N 0.00 0.39 -0.02 5.87 0.04 -2.00 0.18 116.94 121.40 1fmd h PHE 68 Ca 0.00 0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.81 1fmd h PHE 68 Cb 0.00 -0.13 -0.04 0.00 2.20 0.00 0.00 35.95 37.99 1fmd h PHE 68 CO 0.00 0.17 -0.18 1.03 -0.60 0.00 0.00 178.31 178.73 1fmd h SER 69 N 0.35 -0.52 -0.37 2.17 0.87 -1.97 0.19 113.55 114.26 1fmd h SER 69 Ca 0.31 0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 60.93 1fmd h SER 69 Cb 0.74 0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.90 1fmd h SER 69 CO -0.08 -0.24 0.17 0.11 -0.53 0.00 0.00 176.83 176.25 1fmd h LYS 70 N -0.28 0.55 -0.66 2.24 1.57 -1.26 -2.92 116.57 115.80 1fmd h LYS 70 Ca 0.06 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1fmd h LYS 70 Cb 0.36 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 1fmd h LYS 70 CO -0.18 0.51 0.32 1.25 -0.57 0.00 0.00 179.45 180.78 1fmd h LEU 71 N 0.46 0.84 -0.72 2.94 5.85 -0.36 -2.44 115.31 121.88 1fmd h LEU 71 Ca 0.13 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 1fmd h LEU 71 Cb 0.15 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 1fmd h LEU 71 CO -0.01 0.71 0.34 0.00 -0.34 0.00 0.00 178.44 179.14 1fmd h ALA 72 N 1.42 0.93 -0.16 1.25 0.00 -0.45 -3.02 119.26 119.24 1fmd h ALA 72 Ca 0.23 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 1fmd h ALA 72 Cb 0.09 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1fmd h ALA 72 CO -0.03 0.50 -0.52 0.77 0.00 0.00 0.00 179.25 179.97 1fmd h SER 73 N 1.01 0.49 0.00 0.00 0.02 -1.45 -3.13 113.55 110.49 1fmd h SER 73 Ca 0.25 -0.25 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1fmd h SER 73 Cb 0.13 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.53 1fmd h SER 73 CO -0.03 0.92 0.00 -1.54 -1.14 0.00 0.00 176.83 175.04 1fmd n SER 74 N -3.96 0.00 -4.72 3.07 3.41 -0.94 -4.82 113.62 105.66 1fmd n SER 74 Ca -0.03 -1.01 -0.42 0.00 -0.26 0.00 0.00 58.87 57.15 1fmd n SER 74 Cb 0.58 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.50 1fmd n SER 74 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1fmd s ALA 75 N -2.00 3.48 0.19 7.33 0.00 -1.18 -4.99 121.76 124.59 1fmd s ALA 75 Ca 0.00 0.99 -0.30 0.00 0.00 0.00 0.00 51.96 52.65 1fmd s ALA 75 Cb 0.00 -3.48 -0.09 0.00 0.00 0.00 0.00 23.12 19.56 1fmd s ALA 75 CO 0.00 -0.50 1.33 0.12 0.00 0.00 0.00 175.76 176.72 1fmd s PHE 76 N 0.82 3.23 0.00 0.00 5.36 -1.26 -4.93 117.98 121.20 1fmd s PHE 76 Ca 0.60 1.17 0.00 0.00 -0.96 0.00 0.00 56.93 57.73 1fmd s PHE 76 Cb -0.33 -3.64 0.00 0.00 -0.34 0.00 0.00 43.02 38.71 1fmd s PHE 76 CO 0.31 -2.03 0.48 0.43 -1.46 0.00 0.00 175.22 172.96 1fmd n SER 77 N 2.77 0.52 0.00 6.13 7.64 -1.26 -5.07 113.62 124.35 1fmd n SER 77 Ca 0.07 -1.20 0.00 0.00 1.01 0.00 0.00 58.87 58.75 1fmd n SER 77 Cb 0.42 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.62 1fmd n SER 77 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1fmd n GLY 78 N -0.10 -0.03 0.00 0.23 0.00 -1.26 -5.07 105.19 98.95 1fmd n GLY 78 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1fmd n GLY 78 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1fmd n LEU 79 N 0.00 0.00 0.00 0.99 4.32 -1.26 -5.04 117.00 116.01 1fmd n LEU 79 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1fmd n LEU 79 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1fmd n LEU 79 CO 0.00 0.00 0.00 0.33 -1.22 0.00 0.00 177.39 176.50 1fmd n PHE 80 N -0.45 0.00 0.00 -1.77 -0.00 -1.26 -4.87 117.46 109.11 1fmd n PHE 80 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1fmd n PHE 80 Cb 0.00 -0.29 0.00 0.00 -0.00 0.00 0.00 39.48 39.19 1fmd n PHE 80 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1fmd n GLY 81 N -1.52 0.69 3.26 7.13 0.00 -1.26 -5.11 105.19 108.37 1fmd n GLY 81 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 1fmd n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fmd s ALA 82 N -3.53 -1.91 0.05 4.61 0.00 -1.26 -5.17 121.76 114.54 1fmd s ALA 82 Ca 0.00 1.80 -0.22 0.00 0.00 0.00 0.00 51.96 53.54 1fmd s ALA 82 Cb 0.00 -1.91 -0.06 0.00 0.00 0.00 0.00 23.12 21.15 1fmd s ALA 82 CO 0.00 -1.16 0.67 -1.17 0.00 0.00 0.00 175.76 174.10 1fmd s LEU 83 N 2.80 4.47 -0.07 0.00 2.96 -1.26 -5.09 118.68 122.48 1fmd s LEU 83 Ca 0.10 1.34 0.03 0.00 -0.22 0.00 0.00 54.13 55.38 1fmd s LEU 83 Cb -0.14 -3.07 -0.02 0.00 0.50 0.00 0.00 46.19 43.46 1fmd s LEU 83 CO -0.19 0.11 -0.17 -0.22 -1.32 0.00 0.00 176.35 174.56 1fmd s LEU 84 N -0.41 2.52 0.00 -0.68 0.20 -1.26 -5.30 118.68 113.75 1fmd s LEU 84 Ca 0.34 -0.33 0.00 0.00 0.69 0.00 0.00 54.13 54.83 1fmd s LEU 84 Cb -0.20 -1.51 0.00 0.00 -0.43 0.00 0.00 46.19 44.05 1fmd s LEU 84 CO 0.21 0.26 0.00 0.00 -0.29 0.00 0.00 176.35 176.53