#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mfs s GLN 2 N 0.00 1.37 -0.69 0.03 -2.07 -1.26 -4.89 119.66 112.15 1mfs s GLN 2 Ca 0.00 1.60 -0.27 0.00 -1.82 0.00 0.00 55.36 54.87 1mfs s GLN 2 Cb 0.00 -1.76 0.02 0.00 -1.09 0.00 0.00 33.01 30.18 1mfs s GLN 2 CO 0.00 -2.38 1.33 0.21 -1.32 0.00 0.00 175.29 173.12 1mfs s LYS 3 N -4.46 3.21 0.00 9.60 2.47 -1.26 -4.10 119.74 125.19 1mfs s LYS 3 Ca 0.69 -0.02 0.00 0.00 -1.56 0.00 0.00 55.97 55.08 1mfs s LYS 3 Cb -0.24 -4.16 0.00 0.00 -1.46 0.00 0.00 37.83 31.96 1mfs s LYS 3 CO 0.55 -2.10 0.00 0.41 0.16 0.00 0.00 175.35 174.37 1mfs n GLY 4 N 5.34 -1.92 3.78 5.54 0.00 -1.26 -5.13 105.19 111.55 1mfs n GLY 4 Ca 0.06 0.64 -0.37 0.00 0.00 0.00 0.00 46.02 46.35 1mfs n GLY 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mfs s ASN 5 N 0.00 6.59 0.00 1.61 2.20 -1.26 -4.91 114.94 119.16 1mfs s ASN 5 Ca 0.00 0.69 0.00 0.00 -0.94 0.00 0.00 52.86 52.61 1mfs s ASN 5 Cb 0.00 -2.20 0.00 0.00 -2.00 0.00 0.00 41.25 37.05 1mfs s ASN 5 CO 0.00 0.20 0.00 2.22 -2.94 0.00 0.00 177.10 176.58 1mfs n PHE 6 N 2.81 0.00 -3.23 1.54 -1.74 -1.26 -4.90 117.46 110.69 1mfs n PHE 6 Ca -0.13 0.00 -0.44 0.00 -0.56 0.00 0.00 57.45 56.33 1mfs n PHE 6 Cb 0.52 0.23 -0.00 0.00 1.52 0.00 0.00 39.48 41.75 1mfs n PHE 6 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 1mfs n ARG 7 N -2.08 3.85 0.00 3.97 1.74 -1.26 -4.92 116.66 117.96 1mfs n ARG 7 Ca 0.00 -4.50 0.00 0.00 -0.77 0.00 0.00 57.85 52.58 1mfs n ARG 7 Cb 0.05 -2.52 0.00 0.00 -1.02 0.00 0.00 32.46 28.96 1mfs n ARG 7 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1mfs n ASN 8 N 2.10 0.00 0.01 0.55 4.13 -1.26 -4.23 115.26 116.57 1mfs n ASN 8 Ca 0.25 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.51 1mfs n ASN 8 Cb 0.37 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.61 1mfs n ASN 8 CO 0.00 0.00 0.00 1.67 0.28 0.00 0.00 177.26 179.21 1mfs n GLN 9 N 0.00 0.00 -0.76 3.52 7.27 -1.26 -4.98 117.38 121.16 1mfs n GLN 9 Ca 0.00 0.00 -0.29 0.00 0.07 0.00 0.00 57.00 56.78 1mfs n GLN 9 Cb 0.00 0.00 0.25 0.00 2.41 0.00 0.00 30.24 32.90 1mfs n GLN 9 CO 0.00 0.00 0.00 -0.98 0.07 0.00 0.00 177.06 176.15 1mfs s ARG 10 N -1.56 -1.36 0.00 3.69 1.70 -1.26 -4.91 118.95 115.25 1mfs s ARG 10 Ca 0.00 0.32 0.00 0.00 -0.47 0.00 0.00 55.73 55.58 1mfs s ARG 10 Cb 0.00 -1.55 0.00 0.00 -0.57 0.00 0.00 34.95 32.83 1mfs s ARG 10 CO 0.00 -3.88 0.00 1.17 -1.08 0.00 0.00 175.30 171.51 1mfs n LYS 11 N -4.95 0.00 0.00 3.89 3.00 0.26 -4.97 118.16 115.38 1mfs n LYS 11 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.40 1mfs n LYS 11 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.61 1mfs n LYS 11 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1mfs n THR 12 N -0.83 0.00 -1.42 3.15 -2.24 -1.16 -4.41 114.28 107.37 1mfs n THR 12 Ca 0.00 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.82 1mfs n THR 12 Cb 0.00 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.22 1mfs n THR 12 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1mfs n VAL 13 N -0.29 0.00 -3.78 2.28 0.24 -1.26 -1.78 118.33 113.73 1mfs n VAL 13 Ca 0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.17 1mfs n VAL 13 Cb 0.00 -0.09 -0.10 0.00 -1.47 0.00 0.00 33.84 32.17 1mfs n VAL 13 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1mfs s LYS 14 N -0.66 0.43 -0.36 7.34 0.00 -1.13 -0.84 119.74 124.51 1mfs s LYS 14 Ca 0.00 0.16 -0.24 0.00 0.00 0.00 0.00 55.97 55.89 1mfs s LYS 14 Cb 0.00 0.20 0.01 0.00 0.00 0.00 0.00 37.83 38.04 1mfs s LYS 14 CO 0.00 -0.08 0.83 0.00 0.00 0.00 0.00 175.35 176.10 1mfs n PHE 16 N 6.51 0.37 -0.12 0.00 3.72 -1.26 0.22 117.46 126.90 1mfs n PHE 16 Ca 0.04 -0.17 -0.19 0.00 -0.05 0.00 0.00 57.45 57.09 1mfs n PHE 16 Cb 0.48 -0.04 -0.10 0.00 -0.94 0.00 0.00 39.48 38.88 1mfs n PHE 16 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1mfs n ASN 17 N 0.18 2.08 -0.08 4.37 5.15 -1.26 -4.73 115.26 120.97 1mfs n ASN 17 Ca 0.08 0.01 -0.10 0.00 -0.60 0.00 0.00 54.58 53.96 1mfs n ASN 17 Cb 0.25 -0.47 -0.08 0.00 -0.53 0.00 0.00 39.78 38.96 1mfs n ASN 17 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1mfs n GLY 19 N 2.63 1.54 3.57 0.00 0.00 0.13 -5.08 105.19 107.99 1mfs n GLY 19 Ca -0.28 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.38 1mfs n GLY 19 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1mfs s LYS 20 N -0.49 3.89 0.11 1.61 2.47 -1.19 -4.85 119.74 121.29 1mfs s LYS 20 Ca 0.00 -0.36 -0.31 0.00 -1.56 0.00 0.00 55.97 53.74 1mfs s LYS 20 Cb 0.00 -3.47 -0.07 0.00 -1.46 0.00 0.00 37.83 32.83 1mfs s LYS 20 CO 0.00 -0.07 1.25 -1.83 0.16 0.00 0.00 175.35 174.86 1mfs s GLU 21 N 1.38 4.42 0.00 4.03 -1.05 -1.26 -1.27 118.70 124.94 1mfs s GLU 21 Ca 0.06 1.87 0.00 0.00 -0.15 0.00 0.00 54.97 56.76 1mfs s GLU 21 Cb -0.15 -3.29 0.00 0.00 -0.44 0.00 0.00 34.13 30.25 1mfs s GLU 21 CO 0.06 -0.26 0.00 0.41 0.95 0.00 0.00 175.26 176.42 1mfs n GLY 22 N 3.03 4.16 3.74 -3.83 0.00 -0.02 -4.90 105.19 107.37 1mfs n GLY 22 Ca 0.08 -0.78 -0.31 0.00 0.00 0.00 0.00 46.02 45.02 1mfs n GLY 22 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1mfs s HIS 23 N 0.00 2.03 0.40 1.61 -3.43 -1.20 0.90 115.29 115.60 1mfs s HIS 23 Ca 0.00 -0.86 0.08 0.00 -0.80 0.00 0.00 55.06 53.47 1mfs s HIS 23 Cb 0.00 -1.70 -0.06 0.00 -1.43 0.00 0.00 32.58 29.40 1mfs s HIS 23 CO 0.00 0.21 0.13 0.96 -2.00 0.00 0.00 174.74 174.04 1mfs s ILE 24 N -2.82 2.33 0.33 -5.38 -4.36 -1.26 0.18 121.20 110.23 1mfs s ILE 24 Ca 0.17 -1.78 0.02 0.00 -0.26 0.00 0.00 60.65 58.79 1mfs s ILE 24 Cb 0.03 -2.97 0.21 0.00 1.25 0.00 0.00 42.46 40.98 1mfs s ILE 24 CO 0.09 -0.03 1.93 0.00 0.24 0.00 0.00 174.94 177.17 1mfs h ALA 25 N 1.54 1.43 0.00 2.27 0.00 -1.88 0.15 119.26 122.78 1mfs h ALA 25 Ca -0.43 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1mfs h ALA 25 Cb 1.25 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1mfs h ALA 25 CO 0.71 0.44 0.00 -0.22 0.00 0.00 0.00 179.25 180.18 1mfs h LYS 26 N 0.72 0.00 -0.33 0.00 1.63 -1.96 -1.04 116.57 115.60 1mfs h LYS 26 Ca 0.18 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.98 1mfs h LYS 26 Cb 0.11 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.74 1mfs h LYS 26 CO -0.02 0.00 0.00 0.09 -3.45 0.00 0.00 179.45 176.07 1mfs n ASN 27 N -2.97 3.63 -4.62 4.20 4.13 0.34 -4.95 115.26 115.01 1mfs n ASN 27 Ca 0.00 -2.59 -0.43 0.00 1.68 0.00 0.00 54.58 53.24 1mfs n ASN 27 Cb 0.25 -0.43 -0.02 0.00 -1.54 0.00 0.00 39.78 38.04 1mfs n ASN 27 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1mfs n ARG 29 N 7.53 0.93 -3.78 0.00 3.00 -1.26 -4.20 116.66 118.88 1mfs n ARG 29 Ca 0.15 0.00 -0.29 0.00 -0.01 0.00 0.00 57.85 57.70 1mfs n ARG 29 Cb 0.47 -1.41 -0.12 0.00 0.00 0.00 0.00 32.46 31.39 1mfs n ARG 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1mfs s ALA 30 N -2.00 2.87 1.12 7.54 0.00 -1.26 -5.11 121.76 124.93 1mfs s ALA 30 Ca 0.37 -3.16 -0.19 0.00 0.00 0.00 0.00 51.96 48.99 1mfs s ALA 30 Cb 0.17 -2.00 0.26 0.00 0.00 0.00 0.00 23.12 21.55 1mfs s ALA 30 CO 0.29 -2.05 1.22 -0.35 0.00 0.00 0.00 175.76 174.86 1mfs n PRO 31 N 2.79 -2.21 0.00 0.00 -0.04 -1.26 -4.91 135.00 129.37 1mfs n PRO 31 Ca 0.15 -1.91 0.00 0.00 -0.04 0.00 0.00 63.50 61.70 1mfs n PRO 31 Cb 0.36 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.32 1mfs n PRO 31 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1mfs n ARG 32 N -4.33 0.00 0.00 0.54 1.85 -1.26 -5.08 116.66 108.38 1mfs n ARG 32 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.01 1mfs n ARG 32 Cb 0.58 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.99 1mfs n ARG 32 CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 177.63 177.98 1mfs n LYS 33 N -0.02 0.00 -4.45 2.89 2.85 -1.26 -4.68 118.16 113.49 1mfs n LYS 33 Ca 0.00 0.00 -0.41 0.00 -1.05 0.00 0.00 58.31 56.85 1mfs n LYS 33 Cb 0.00 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.31 1mfs n LYS 33 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 1mfs n LYS 34 N 0.00 -1.02 -3.47 -1.58 2.85 -1.26 -4.59 118.16 109.09 1mfs n LYS 34 Ca 0.00 0.16 -0.37 0.00 -1.05 0.00 0.00 58.31 57.05 1mfs n LYS 34 Cb 0.00 -4.75 -0.07 0.00 -0.65 0.00 0.00 35.03 29.56 1mfs n LYS 34 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1mfs s GLY 35 N -3.21 2.24 -0.34 2.58 0.00 -1.26 -4.11 107.32 103.21 1mfs s GLY 35 Ca 0.80 -0.40 -0.39 0.00 0.00 0.00 0.00 44.72 44.74 1mfs s GLY 35 CO 0.99 0.56 1.99 0.00 0.00 0.00 0.00 173.10 176.63 1mfs n TRP 37 N 7.56 0.86 -0.09 0.00 7.02 -1.26 0.03 117.44 131.55 1mfs n TRP 37 Ca 0.37 -0.34 -0.16 0.00 -1.02 0.00 0.00 57.50 56.35 1mfs n TRP 37 Cb 0.14 -0.16 -0.08 0.00 -2.42 0.00 0.00 31.31 28.80 1mfs n TRP 37 CO 0.00 0.00 0.00 1.17 -2.02 0.00 0.00 177.69 176.84 1mfs n LYS 38 N 0.55 0.43 -0.02 -0.99 4.81 -1.26 -4.69 118.16 116.98 1mfs n LYS 38 Ca 0.15 0.13 0.03 0.00 -0.87 0.00 0.00 58.31 57.75 1mfs n LYS 38 Cb 0.56 -1.28 -0.10 0.00 0.02 0.00 0.00 35.03 34.23 1mfs n LYS 38 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1mfs n GLY 40 N 1.93 0.83 3.54 0.00 0.00 0.10 -5.00 105.19 106.58 1mfs n GLY 40 Ca -0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 1mfs n GLY 40 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1mfs n LYS 41 N -2.00 0.92 -1.38 1.61 3.00 -1.18 -4.59 118.16 114.54 1mfs n LYS 41 Ca 0.00 0.04 -0.39 0.00 -0.00 0.00 0.00 58.31 57.96 1mfs n LYS 41 Cb 0.00 -3.06 -0.02 0.00 0.00 0.00 0.00 35.03 31.95 1mfs n LYS 41 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1mfs n GLU 42 N 8.87 2.56 0.11 1.64 0.28 -1.26 0.09 120.64 132.93 1mfs n GLU 42 Ca 0.42 -2.19 0.00 0.00 -0.16 0.00 0.00 57.16 55.23 1mfs n GLU 42 Cb 0.44 -3.00 0.00 0.00 1.43 0.00 0.00 31.44 30.31 1mfs n GLU 42 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1mfs n GLY 43 N 4.07 -1.65 3.91 -1.84 0.00 -1.26 -4.83 105.19 103.60 1mfs n GLY 43 Ca 0.55 0.50 -0.27 0.00 0.00 0.00 0.00 46.02 46.80 1mfs n GLY 43 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1mfs s HIS 44 N -1.94 3.19 0.45 1.61 -3.43 -1.23 -4.84 115.29 109.10 1mfs s HIS 44 Ca 0.00 0.67 0.01 0.00 -0.80 0.00 0.00 55.06 54.94 1mfs s HIS 44 Cb 0.00 -2.91 -0.00 0.00 -1.43 0.00 0.00 32.58 28.24 1mfs s HIS 44 CO 0.00 -1.03 0.02 1.04 -2.00 0.00 0.00 174.74 172.77 1mfs n GLN 45 N -2.75 0.83 -0.31 -0.38 1.13 -1.26 -2.09 117.38 112.55 1mfs n GLN 45 Ca 0.06 -3.34 -0.01 0.00 -1.94 0.00 0.00 57.00 51.77 1mfs n GLN 45 Cb 0.58 1.05 0.16 0.00 0.11 0.00 0.00 30.24 32.15 1mfs n GLN 45 CO 0.00 0.00 0.00 1.98 -1.44 0.00 0.00 177.06 177.60 1mfs h MET 46 N 0.00 1.19 0.00 -1.09 -1.53 -1.97 1.50 114.93 113.02 1mfs h MET 46 Ca -0.37 -0.08 -0.00 0.00 -3.44 0.00 0.00 59.70 55.82 1mfs h MET 46 Cb 1.15 -0.27 -0.00 0.00 -0.55 0.00 0.00 31.60 31.94 1mfs h MET 46 CO 0.61 0.79 -0.01 -0.22 0.14 0.00 0.00 176.91 178.22 1mfs h LYS 47 N 1.22 0.00 0.00 0.39 3.64 -2.02 -1.24 116.57 118.56 1mfs h LYS 47 Ca 0.33 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.71 1mfs h LYS 47 Cb -0.13 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.69 1mfs h LYS 47 CO -0.07 0.01 -0.02 -0.25 -2.27 0.00 0.00 179.45 176.85 1mfs n ASP 48 N -3.12 2.11 -4.53 4.20 8.00 0.22 -4.97 116.55 118.46 1mfs n ASP 48 Ca -0.01 -2.68 -0.43 0.00 0.71 0.00 0.00 54.79 52.38 1mfs n ASP 48 Cb 0.20 -0.28 -0.05 0.00 -0.02 0.00 0.00 41.12 40.96 1mfs n ASP 48 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1mfs n THR 50 N 6.07 0.02 -3.52 0.00 -2.24 -1.26 -4.81 114.28 108.54 1mfs n THR 50 Ca 0.01 -0.04 -0.34 0.00 -2.27 0.00 0.00 64.05 61.41 1mfs n THR 50 Cb 0.48 -0.24 -0.05 0.00 -2.10 0.00 0.00 70.33 68.42 1mfs n THR 50 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1mfs s GLU 51 N -1.98 3.79 0.05 -0.78 8.01 -1.26 -5.01 118.70 121.53 1mfs s GLU 51 Ca 0.30 0.22 -0.03 0.00 0.01 0.00 0.00 54.97 55.47 1mfs s GLU 51 Cb 0.14 -2.93 -0.01 0.00 -4.31 0.00 0.00 34.13 27.03 1mfs s GLU 51 CO 0.24 0.51 -0.05 -2.13 0.01 0.00 0.00 175.26 173.83 1mfs n ARG 52 N 0.67 0.08 -2.99 1.61 0.63 -1.26 -4.90 116.66 110.51 1mfs n ARG 52 Ca -0.06 0.03 -0.22 0.00 -0.92 0.00 0.00 57.85 56.68 1mfs n ARG 52 Cb 0.52 -0.64 -0.03 0.00 0.45 0.00 0.00 32.46 32.76 1mfs n ARG 52 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 1mfs n GLN 53 N -3.63 2.26 0.00 -0.14 -0.06 -1.26 -4.97 117.38 109.57 1mfs n GLN 53 Ca -0.02 -4.17 0.00 0.00 -2.00 0.00 0.00 57.00 50.81 1mfs n GLN 53 Cb 0.08 -1.98 0.00 0.00 -4.06 0.00 0.00 30.24 24.29 1mfs n GLN 53 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1mfs n ALA 54 N -0.05 0.00 0.00 1.69 0.00 -1.26 -5.26 120.51 115.63 1mfs n ALA 54 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1mfs n ALA 54 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 1mfs n ALA 54 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59