#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 0.30 -0.35 2.12 1.03 -1.26 -5.10 119.66 116.40 1mfs s GLN 2 Ca 0.00 -0.14 0.02 0.00 0.04 0.00 0.00 55.36 55.29 1mfs s GLN 2 Cb 0.00 0.12 0.31 0.00 0.03 0.00 0.00 33.01 33.46 1mfs s GLN 2 CO 0.00 -0.13 1.29 1.17 -2.54 0.00 0.00 175.29 175.08 1mfs n LYS 3 N -0.26 0.27 0.00 9.60 3.00 -1.26 -5.04 118.16 124.47 1mfs n LYS 3 Ca -0.03 -0.89 0.00 0.00 -0.00 0.00 0.00 58.31 57.39 1mfs n LYS 3 Cb 0.60 -0.34 0.00 0.00 0.00 0.00 0.00 35.03 35.29 1mfs n LYS 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1mfs n GLY 4 N 0.87 -1.80 3.50 3.14 0.00 -1.26 -5.10 105.19 104.54 1mfs n GLY 4 Ca -0.02 0.66 -0.46 0.00 0.00 0.00 0.00 46.02 46.21 1mfs n GLY 4 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1mfs n ASN 5 N 0.00 2.24 0.00 1.61 4.13 -1.26 -4.09 115.26 117.89 1mfs n ASN 5 Ca 0.00 0.18 0.00 0.00 1.68 0.00 0.00 54.58 56.44 1mfs n ASN 5 Cb 0.00 -1.35 0.00 0.00 -1.54 0.00 0.00 39.78 36.89 1mfs n ASN 5 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 1mfs n PHE 6 N 11.41 -1.29 -1.64 3.10 3.72 -1.26 -5.03 117.46 126.46 1mfs n PHE 6 Ca 0.40 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.52 1mfs n PHE 6 Cb 0.31 0.26 -0.04 0.00 -0.94 0.00 0.00 39.48 39.07 1mfs n PHE 6 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 1mfs s ARG 7 N -1.90 2.02 -0.04 -1.08 3.52 -1.26 -3.92 118.95 116.28 1mfs s ARG 7 Ca 0.00 0.93 -0.03 0.00 -0.13 0.00 0.00 55.73 56.50 1mfs s ARG 7 Cb 0.00 -4.66 0.00 0.00 -1.56 0.00 0.00 34.95 28.74 1mfs s ARG 7 CO 0.00 -3.60 0.05 0.27 -0.81 0.00 0.00 175.30 171.21 1mfs n ASN 8 N 16.35 -6.52 -0.06 -2.12 6.94 -1.26 -4.92 115.26 123.67 1mfs n ASN 8 Ca 0.38 0.38 -0.06 0.00 -0.02 0.00 0.00 54.58 55.27 1mfs n ASN 8 Cb 0.50 -1.68 -0.05 0.00 -2.36 0.00 0.00 39.78 36.19 1mfs n ASN 8 CO 0.00 0.00 0.00 1.56 -1.03 0.00 0.00 177.26 177.79 1mfs h GLN 9 N 3.46 0.00 -0.22 -3.83 4.20 -1.97 -3.37 115.11 113.38 1mfs h GLN 9 Ca -0.04 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.70 1mfs h GLN 9 Cb 1.01 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.73 1mfs h GLN 9 CO 0.02 0.42 -0.42 0.00 -0.67 0.00 0.00 178.83 178.18 1mfs h ARG 10 N -1.00 -0.35 -4.57 1.46 2.47 -1.94 -3.34 114.38 107.11 1mfs h ARG 10 Ca -0.01 0.02 -0.71 0.00 -1.26 0.00 0.00 59.98 58.03 1mfs h ARG 10 Cb 0.44 0.08 -0.21 0.00 -1.65 0.00 0.00 29.97 28.63 1mfs h ARG 10 CO -0.00 -0.23 -0.45 -1.59 0.56 0.00 0.00 179.97 178.25 1mfs s LYS 11 N -5.01 3.08 0.01 0.04 -2.85 -1.26 -4.84 119.74 108.91 1mfs s LYS 11 Ca -0.11 -0.93 -0.00 0.00 -1.00 0.00 0.00 55.97 53.92 1mfs s LYS 11 Cb 0.06 -3.90 -0.00 0.00 -2.06 0.00 0.00 37.83 31.93 1mfs s LYS 11 CO 0.46 -0.67 -0.00 2.41 0.10 0.00 0.00 175.35 177.65 1mfs n THR 12 N 5.12 0.17 -3.96 3.79 -1.04 -1.26 -4.70 114.28 112.41 1mfs n THR 12 Ca -0.12 0.07 -0.09 0.00 -2.04 0.00 0.00 64.05 61.87 1mfs n THR 12 Cb 0.48 -1.10 -0.10 0.00 -1.82 0.00 0.00 70.33 67.79 1mfs n THR 12 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1mfs s VAL 13 N -1.14 0.14 -0.11 12.58 -7.23 -1.26 -5.05 120.40 118.33 1mfs s VAL 13 Ca -0.00 -1.18 0.01 0.00 -1.81 0.00 0.00 61.98 59.00 1mfs s VAL 13 Cb 0.00 -0.91 -0.01 0.00 0.56 0.00 0.00 36.38 36.02 1mfs s VAL 13 CO 0.00 -0.65 -0.15 -1.59 -0.31 0.00 0.00 175.10 172.40 1mfs s LYS 14 N -2.66 3.21 -0.38 4.82 -2.85 -1.17 -1.31 119.74 119.40 1mfs s LYS 14 Ca -0.05 -0.71 -0.26 0.00 -1.00 0.00 0.00 55.97 53.95 1mfs s LYS 14 Cb -0.01 -2.55 0.02 0.00 -2.06 0.00 0.00 37.83 33.23 1mfs s LYS 14 CO -0.05 0.27 0.92 0.00 0.10 0.00 0.00 175.35 176.60 1mfs n PHE 16 N 6.81 0.22 -0.07 0.00 7.35 -1.26 0.22 117.46 130.72 1mfs n PHE 16 Ca 0.07 -0.11 -0.21 0.00 -0.76 0.00 0.00 57.45 56.44 1mfs n PHE 16 Cb 0.48 0.00 -0.12 0.00 0.35 0.00 0.00 39.48 40.19 1mfs n PHE 16 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1mfs n ASN 17 N 0.06 2.02 -0.08 -2.13 5.15 -1.26 -4.66 115.26 114.36 1mfs n ASN 17 Ca 0.12 0.14 -0.11 0.00 -0.60 0.00 0.00 54.58 54.14 1mfs n ASN 17 Cb 0.22 -0.73 -0.07 0.00 -0.53 0.00 0.00 39.78 38.67 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 2.74 1.59 3.44 0.00 0.00 0.13 -5.09 105.19 108.00 1mfs n GLY 19 Ca -0.28 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.42 2.21 0.24 1.61 2.36 -1.17 -4.87 119.74 119.70 1mfs s LYS 20 Ca 0.00 -0.88 -0.16 0.00 -2.55 0.00 0.00 55.97 52.38 1mfs s LYS 20 Cb 0.00 -2.22 -0.08 0.00 -1.05 0.00 0.00 37.83 34.48 1mfs s LYS 20 CO 0.00 0.57 0.67 -1.83 1.55 0.00 0.00 175.35 176.31 1mfs s GLU 21 N -1.08 4.07 0.00 4.03 1.03 -1.26 -0.99 118.70 124.50 1mfs s GLU 21 Ca 0.13 0.67 0.00 0.00 0.03 0.00 0.00 54.97 55.80 1mfs s GLU 21 Cb -0.10 -2.73 0.00 0.00 -0.80 0.00 0.00 34.13 30.50 1mfs s GLU 21 CO 0.03 0.33 0.00 0.41 -1.33 0.00 0.00 175.26 174.70 1mfs n GLY 22 N 0.32 0.52 2.17 -3.83 0.00 -0.43 -4.94 105.19 99.00 1mfs n GLY 22 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.99 1mfs n GLY 22 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1mfs n HIS 23 N 0.00 -1.06 -4.53 1.61 1.44 -1.21 -4.91 115.22 106.56 1mfs n HIS 23 Ca 0.00 -0.74 -0.25 0.00 -2.01 0.00 0.00 57.72 54.72 1mfs n HIS 23 Cb 0.00 0.36 -0.10 0.00 0.12 0.00 0.00 29.99 30.37 1mfs n HIS 23 CO 0.00 0.00 0.00 0.96 -2.81 0.00 0.00 176.34 174.49 1mfs s ILE 24 N -2.29 2.24 0.31 0.61 -4.36 -1.26 -1.90 121.20 114.54 1mfs s ILE 24 Ca 0.13 -2.23 0.02 0.00 -0.26 0.00 0.00 60.65 58.31 1mfs s ILE 24 Cb -0.02 -2.59 0.29 0.00 1.25 0.00 0.00 42.46 41.39 1mfs s ILE 24 CO 0.03 -0.24 1.90 0.00 0.24 0.00 0.00 174.94 176.88 1mfs h ALA 25 N 2.07 1.56 0.00 2.27 0.00 -1.89 0.35 119.26 123.63 1mfs h ALA 25 Ca -0.42 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.42 1mfs h ALA 25 Cb 1.25 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1mfs h ALA 25 CO 0.69 0.29 -0.28 -0.22 0.00 0.00 0.00 179.25 179.73 1mfs h LYS 26 N 0.97 0.00 -0.63 0.00 3.64 -1.97 -0.60 116.57 117.99 1mfs h LYS 26 Ca 0.40 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.78 1mfs h LYS 26 Cb 0.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1mfs h LYS 26 CO -0.16 0.28 0.00 -1.71 -2.27 0.00 0.00 179.45 175.58 1mfs n ASN 27 N -3.98 4.02 -4.64 4.20 5.15 0.11 -4.87 115.26 115.25 1mfs n ASN 27 Ca -0.02 -2.41 -0.41 0.00 -0.60 0.00 0.00 54.58 51.14 1mfs n ASN 27 Cb 0.34 -0.54 -0.05 0.00 -0.53 0.00 0.00 39.78 39.01 1mfs n ASN 27 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1mfs n ARG 29 N 5.72 1.81 -1.93 0.00 3.00 -1.26 -4.92 116.66 119.08 1mfs n ARG 29 Ca 0.03 -1.20 -0.34 0.00 -0.00 0.00 0.00 57.85 56.34 1mfs n ARG 29 Cb 0.48 -1.43 0.03 0.00 0.00 0.00 0.00 32.46 31.54 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 -1.83 2.56 -0.72 5.13 0.00 -1.26 -4.87 121.76 120.77 1mfs s ALA 30 Ca 0.34 0.61 -0.06 0.00 0.00 0.00 0.00 51.96 52.85 1mfs s ALA 30 Cb 0.19 -3.32 -0.12 0.00 0.00 0.00 0.00 23.12 19.87 1mfs s ALA 30 CO 0.29 -1.08 2.62 -0.35 0.00 0.00 0.00 175.76 177.24 1mfs n PRO 31 N -2.06 2.26 0.00 0.00 -0.04 -1.26 -4.76 135.00 129.13 1mfs n PRO 31 Ca 0.11 -1.36 0.00 0.00 -0.04 0.00 0.00 63.50 62.21 1mfs n PRO 31 Cb 0.52 -2.30 0.00 0.00 -0.04 0.00 0.00 33.50 31.67 1mfs n PRO 31 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1mfs n ARG 32 N 3.40 0.00 -0.99 0.54 1.74 -1.26 -4.85 116.66 115.24 1mfs n ARG 32 Ca 0.48 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 57.59 1mfs n ARG 32 Cb 0.38 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.80 1mfs n ARG 32 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1mfs n LYS 33 N 0.00 -2.52 -0.85 5.56 3.00 -1.26 -4.83 118.16 117.26 1mfs n LYS 33 Ca 0.00 1.98 0.11 0.00 -0.00 0.00 0.00 58.31 60.40 1mfs n LYS 33 Cb 0.00 -2.57 -0.05 0.00 0.00 0.00 0.00 35.03 32.42 1mfs n LYS 33 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1mfs n LYS 34 N -2.58 -1.90 -0.32 1.64 4.76 -1.26 -5.06 118.16 113.43 1mfs n LYS 34 Ca -0.02 1.48 0.00 0.00 -2.87 0.00 0.00 58.31 56.90 1mfs n LYS 34 Cb 0.35 -2.25 0.00 0.00 -1.84 0.00 0.00 35.03 31.29 1mfs n LYS 34 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1mfs n GLY 35 N -3.49 -1.10 3.63 0.72 0.00 -1.26 -4.95 105.19 98.75 1mfs n GLY 35 Ca -0.04 -0.94 -0.43 0.00 0.00 0.00 0.00 46.02 44.62 1mfs n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mfs n TRP 37 N 7.62 0.82 -0.10 0.00 5.03 -1.26 -0.03 117.44 129.51 1mfs n TRP 37 Ca 0.15 -0.33 -0.18 0.00 3.03 0.00 0.00 57.50 60.17 1mfs n TRP 37 Cb 0.46 -0.15 -0.09 0.00 -1.03 0.00 0.00 31.31 30.51 1mfs n TRP 37 CO 0.00 0.00 0.00 1.17 -0.03 0.00 0.00 177.69 178.83 1mfs n LYS 38 N 0.55 0.48 -0.03 -0.99 3.00 -1.26 -4.68 118.16 115.25 1mfs n LYS 38 Ca 0.15 0.15 0.02 0.00 -0.00 0.00 0.00 58.31 58.63 1mfs n LYS 38 Cb 0.54 -1.35 -0.10 0.00 0.00 0.00 0.00 35.03 34.12 1mfs n LYS 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1mfs n GLY 40 N 1.95 0.73 3.64 0.00 0.00 0.95 -5.03 105.19 107.44 1mfs n GLY 40 Ca -0.09 -0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 1mfs n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1mfs s LYS 41 N -0.57 4.07 -1.28 1.61 2.47 -1.17 -4.81 119.74 120.07 1mfs s LYS 41 Ca 0.00 1.02 -0.18 0.00 -1.56 0.00 0.00 55.97 55.25 1mfs s LYS 41 Cb 0.00 -3.72 0.07 0.00 -1.46 0.00 0.00 37.83 32.72 1mfs s LYS 41 CO 0.00 -0.83 1.71 -1.83 0.16 0.00 0.00 175.35 174.56 1mfs s GLU 42 N 3.47 3.98 0.03 4.03 -1.05 -1.26 -1.04 118.70 126.85 1mfs s GLU 42 Ca 0.43 -1.99 0.00 0.00 -0.15 0.00 0.00 54.97 53.26 1mfs s GLU 42 Cb -0.13 -5.51 0.00 0.00 -0.44 0.00 0.00 34.13 28.06 1mfs s GLU 42 CO 0.14 -2.23 0.00 0.41 0.95 0.00 0.00 175.26 174.52 1mfs n GLY 43 N 5.40 -1.96 3.90 -3.83 0.00 -1.26 -4.92 105.19 102.53 1mfs n GLY 43 Ca 0.48 0.64 -0.28 0.00 0.00 0.00 0.00 46.02 46.86 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 -1.22 3.52 0.24 1.61 -3.43 -1.25 -4.58 115.29 110.17 1mfs s HIS 44 Ca 0.00 0.85 0.02 0.00 -0.80 0.00 0.00 55.06 55.12 1mfs s HIS 44 Cb 0.00 -2.43 0.02 0.00 -1.43 0.00 0.00 32.58 28.73 1mfs s HIS 44 CO 0.00 -0.43 0.13 1.04 -2.00 0.00 0.00 174.74 173.48 1mfs n GLN 45 N -2.38 1.22 -0.19 -0.38 6.02 -1.26 -1.84 117.38 118.56 1mfs n GLN 45 Ca 0.02 -1.54 -0.00 0.00 -0.01 0.00 0.00 57.00 55.47 1mfs n GLN 45 Cb 0.55 0.23 0.23 0.00 1.02 0.00 0.00 30.24 32.27 1mfs n GLN 45 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 1mfs h MET 46 N 0.00 0.95 0.00 -1.09 2.86 -1.92 1.13 114.93 116.85 1mfs h MET 46 Ca -0.16 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.39 1mfs h MET 46 Cb 0.56 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.02 1mfs h MET 46 CO 0.26 0.68 0.00 -0.22 1.06 0.00 0.00 176.91 178.69 1mfs h LYS 47 N 0.96 0.00 0.00 1.72 3.11 -2.02 -1.21 116.57 119.13 1mfs h LYS 47 Ca 0.25 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.09 1mfs h LYS 47 Cb -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.23 1mfs h LYS 47 CO -0.04 0.00 -0.01 -0.25 -2.81 0.00 0.00 179.45 176.34 1mfs n ASP 48 N -3.04 2.09 -4.53 4.20 9.92 0.12 -4.97 116.55 120.34 1mfs n ASP 48 Ca -0.01 -2.49 -0.43 0.00 -0.53 0.00 0.00 54.79 51.33 1mfs n ASP 48 Cb 0.20 -0.21 -0.05 0.00 -0.64 0.00 0.00 41.12 40.42 1mfs n ASP 48 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1mfs n THR 50 N 6.19 0.01 0.35 0.00 5.66 -1.26 -3.72 114.28 121.51 1mfs n THR 50 Ca 0.02 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.88 1mfs n THR 50 Cb 0.48 -0.54 -0.07 0.00 -1.55 0.00 0.00 70.33 68.64 1mfs n THR 50 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 1mfs h GLU 51 N 0.00 -0.90 -5.64 1.09 4.81 -1.94 -3.38 114.58 108.62 1mfs h GLU 51 Ca 0.00 0.06 -0.24 0.00 -0.13 0.00 0.00 59.36 59.05 1mfs h GLU 51 Cb 0.01 0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.56 1mfs h GLU 51 CO 0.00 -0.59 0.62 0.50 -0.73 0.00 0.00 179.01 178.81 1mfs s ARG 52 N -4.69 2.31 -0.30 1.92 6.06 -1.24 -4.81 118.95 118.19 1mfs s ARG 52 Ca -0.14 0.01 -0.08 0.00 -2.50 0.00 0.00 55.73 53.02 1mfs s ARG 52 Cb 0.01 -4.93 0.15 0.00 0.06 0.00 0.00 34.95 30.24 1mfs s ARG 52 CO 0.43 -3.60 0.69 -0.65 -2.50 0.00 0.00 175.30 169.66 1mfs s GLN 53 N 7.52 0.53 0.50 5.12 -0.21 -1.26 -5.05 119.66 126.80 1mfs s GLN 53 Ca 0.76 1.19 0.00 0.00 0.02 0.00 0.00 55.36 57.33 1mfs s GLN 53 Cb -0.09 0.70 0.00 0.00 1.00 0.00 0.00 33.01 34.62 1mfs s GLN 53 CO 0.04 -0.32 0.00 0.00 -2.12 0.00 0.00 175.29 172.88 1mfs n ALA 54 N 5.39 -2.05 0.00 6.09 0.00 -1.26 -5.19 120.51 123.49 1mfs n ALA 54 Ca -0.08 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1mfs n ALA 54 Cb 0.50 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.65 1mfs n ALA 54 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77