#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mfs h GLN 2 N 0.00 0.68 -4.58 0.03 3.07 -2.13 -3.46 115.11 108.72 1mfs h GLN 2 Ca 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 58.65 58.70 1mfs h GLN 2 Cb 0.00 -0.15 0.00 0.00 0.08 0.00 0.00 27.48 27.41 1mfs h GLN 2 CO 0.00 0.45 -0.19 1.63 0.09 0.00 0.00 178.83 180.81 1mfs n LYS 3 N -4.75 -1.30 -0.62 0.06 5.02 -1.26 -5.06 118.16 110.25 1mfs n LYS 3 Ca 0.23 1.42 0.00 0.00 -2.02 0.00 0.00 58.31 57.94 1mfs n LYS 3 Cb 0.61 -4.37 0.00 0.00 -0.02 0.00 0.00 35.03 31.25 1mfs n LYS 3 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1mfs n GLY 4 N -0.88 2.31 1.64 0.72 0.00 -1.26 -5.14 105.19 102.58 1mfs n GLY 4 Ca 0.05 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.17 1mfs n GLY 4 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1mfs n ASN 5 N -0.56 -8.63 -3.34 1.61 5.15 -1.26 -5.02 115.26 103.21 1mfs n ASN 5 Ca 0.00 1.21 -0.13 0.00 -0.60 0.00 0.00 54.58 55.06 1mfs n ASN 5 Cb 0.00 -4.48 -0.07 0.00 -0.53 0.00 0.00 39.78 34.70 1mfs n ASN 5 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 1mfs s PHE 6 N -2.26 -0.68 0.00 1.20 5.36 -1.26 -4.97 117.98 115.37 1mfs s PHE 6 Ca 0.00 -0.21 0.00 0.00 -0.96 0.00 0.00 56.93 55.76 1mfs s PHE 6 Cb 0.00 -0.28 0.00 0.00 -0.34 0.00 0.00 43.02 42.40 1mfs s PHE 6 CO 0.00 -0.98 0.00 -2.13 -1.46 0.00 0.00 175.22 170.65 1mfs n ARG 7 N 4.87 0.00 -1.67 10.12 3.00 -1.26 -4.83 116.66 126.89 1mfs n ARG 7 Ca 0.05 0.00 -0.43 0.00 -0.00 0.00 0.00 57.85 57.47 1mfs n ARG 7 Cb 0.48 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.91 1mfs n ARG 7 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 1mfs s ASN 8 N 0.00 5.57 0.00 6.15 0.01 -1.26 -4.22 114.94 121.19 1mfs s ASN 8 Ca 0.00 1.85 0.00 0.00 -0.71 0.00 0.00 52.86 54.00 1mfs s ASN 8 Cb 0.00 -2.51 0.00 0.00 0.41 0.00 0.00 41.25 39.15 1mfs s ASN 8 CO 0.00 -1.88 0.00 0.00 -1.51 0.00 0.00 177.10 173.71 1mfs n GLN 9 N 8.64 0.00 0.00 -0.60 10.64 -1.26 -4.92 117.38 129.88 1mfs n GLN 9 Ca 0.28 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.45 1mfs n GLN 9 Cb 0.45 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.83 1mfs n GLN 9 CO 0.00 0.00 0.00 2.89 -1.83 0.00 0.00 177.06 178.12 1mfs n ARG 10 N -1.38 0.00 -0.55 2.61 1.85 -1.26 -5.15 116.66 112.77 1mfs n ARG 10 Ca 0.00 0.00 0.08 0.00 -1.00 0.00 0.00 57.85 56.93 1mfs n ARG 10 Cb 0.00 0.00 -0.02 0.00 -1.05 0.00 0.00 32.46 31.39 1mfs n ARG 10 CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 177.63 177.98 1mfs n LYS 11 N 0.00 -1.11 0.00 2.89 2.85 -1.26 -4.78 118.16 116.75 1mfs n LYS 11 Ca 0.00 0.73 0.00 0.00 -1.05 0.00 0.00 58.31 57.99 1mfs n LYS 11 Cb 0.00 -1.35 0.00 0.00 -0.65 0.00 0.00 35.03 33.03 1mfs n LYS 11 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 177.40 174.98 1mfs n THR 12 N -2.04 0.00 -4.40 0.58 5.66 -1.26 -4.74 114.28 108.08 1mfs n THR 12 Ca 0.00 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.80 1mfs n THR 12 Cb 0.25 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 68.93 1mfs n THR 12 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 1mfs s VAL 13 N 0.00 2.06 -0.06 1.08 -7.23 -1.26 -5.05 120.40 109.94 1mfs s VAL 13 Ca 0.00 -2.30 0.02 0.00 -1.81 0.00 0.00 61.98 57.89 1mfs s VAL 13 Cb 0.00 -2.16 0.02 0.00 0.56 0.00 0.00 36.38 34.80 1mfs s VAL 13 CO 0.00 -0.51 -0.10 -1.59 -0.31 0.00 0.00 175.10 172.59 1mfs s LYS 14 N -3.59 1.38 -0.31 4.82 0.00 -1.25 -0.66 119.74 120.13 1mfs s LYS 14 Ca 0.26 -0.31 -0.29 0.00 0.00 0.00 0.00 55.97 55.63 1mfs s LYS 14 Cb -0.03 -1.19 -0.02 0.00 0.00 0.00 0.00 37.83 36.59 1mfs s LYS 14 CO 0.10 0.00 1.71 0.00 0.00 0.00 0.00 175.35 177.17 1mfs n PHE 16 N 9.63 0.25 -0.10 0.00 3.72 -1.26 0.22 117.46 129.91 1mfs n PHE 16 Ca 0.21 -0.12 -0.23 0.00 -0.05 0.00 0.00 57.45 57.26 1mfs n PHE 16 Cb 0.46 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 38.89 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 0.10 1.98 -0.08 4.37 5.15 -1.26 -4.67 115.26 120.86 1mfs n ASN 17 Ca 0.11 0.19 -0.11 0.00 -0.60 0.00 0.00 54.58 54.16 1mfs n ASN 17 Cb 0.22 -0.74 -0.09 0.00 -0.53 0.00 0.00 39.78 38.64 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 2.53 0.83 3.72 0.00 0.00 0.13 -5.08 105.19 107.32 1mfs n GLY 19 Ca -0.29 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.43 4.42 -0.04 1.61 2.20 -1.21 -4.68 119.74 121.61 1mfs s LYS 20 Ca 0.00 1.88 -0.23 0.00 -0.36 0.00 0.00 55.97 57.26 1mfs s LYS 20 Cb 0.00 -3.29 -0.04 0.00 -1.51 0.00 0.00 37.83 32.98 1mfs s LYS 20 CO 0.00 -0.26 0.68 -1.83 -0.36 0.00 0.00 175.35 173.58 1mfs s GLU 21 N 0.73 4.42 0.00 4.03 -1.05 -1.26 -0.13 118.70 125.44 1mfs s GLU 21 Ca 0.59 0.86 0.00 0.00 -0.15 0.00 0.00 54.97 56.26 1mfs s GLU 21 Cb -0.32 -3.41 0.00 0.00 -0.44 0.00 0.00 34.13 29.95 1mfs s GLU 21 CO 0.31 0.16 0.00 0.41 0.95 0.00 0.00 175.26 177.09 1mfs n GLY 22 N 2.89 4.20 3.60 -3.83 0.00 0.16 -4.91 105.19 107.29 1mfs n GLY 22 Ca -0.03 -0.72 -0.25 0.00 0.00 0.00 0.00 46.02 45.03 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 2.51 0.37 1.61 -3.43 -1.26 -4.54 115.29 110.54 1mfs s HIS 23 Ca 0.00 -0.43 0.05 0.00 -0.80 0.00 0.00 55.06 53.88 1mfs s HIS 23 Cb 0.00 -1.41 -0.01 0.00 -1.43 0.00 0.00 32.58 29.73 1mfs s HIS 23 CO 0.00 0.53 0.52 0.96 -2.00 0.00 0.00 174.74 174.75 1mfs s ILE 24 N -2.53 4.05 0.25 -5.38 -4.36 -1.26 0.17 121.20 112.14 1mfs s ILE 24 Ca 0.34 -0.86 -0.05 0.00 -0.26 0.00 0.00 60.65 59.81 1mfs s ILE 24 Cb -0.00 -3.43 0.24 0.00 1.25 0.00 0.00 42.46 40.52 1mfs s ILE 24 CO 0.18 -0.20 1.89 0.00 0.24 0.00 0.00 174.94 177.05 1mfs h ALA 25 N 0.76 1.25 0.00 2.27 0.00 -1.89 0.40 119.26 122.05 1mfs h ALA 25 Ca -0.46 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1mfs h ALA 25 Cb 1.26 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1mfs h ALA 25 CO 0.54 0.46 0.00 -0.22 0.00 0.00 0.00 179.25 180.03 1mfs h LYS 26 N 1.16 0.00 -0.33 0.00 3.64 -1.98 0.84 116.57 119.90 1mfs h LYS 26 Ca 0.38 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.76 1mfs h LYS 26 Cb 0.04 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1mfs h LYS 26 CO -0.13 0.00 0.00 0.09 -2.27 0.00 0.00 179.45 177.14 1mfs n ASN 27 N -2.94 3.67 -4.62 4.20 3.02 0.11 -4.96 115.26 113.75 1mfs n ASN 27 Ca -0.01 -2.59 -0.43 0.00 -0.03 0.00 0.00 54.58 51.52 1mfs n ASN 27 Cb 0.17 -0.44 -0.02 0.00 -0.61 0.00 0.00 39.78 38.88 1mfs n ASN 27 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1mfs n ARG 29 N 7.88 1.10 -1.47 0.00 1.74 -1.26 -4.86 116.66 119.78 1mfs n ARG 29 Ca 0.19 -0.14 -0.40 0.00 -0.77 0.00 0.00 57.85 56.73 1mfs n ARG 29 Cb 0.46 -1.49 -0.15 0.00 -1.02 0.00 0.00 32.46 30.26 1mfs n ARG 29 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1mfs n ALA 30 N -0.83 0.29 -0.04 7.54 0.00 -1.26 -4.75 120.51 121.46 1mfs n ALA 30 Ca 0.23 -0.28 -0.14 0.00 0.00 0.00 0.00 53.44 53.26 1mfs n ALA 30 Cb 0.14 -2.23 -0.11 0.00 0.00 0.00 0.00 19.45 17.25 1mfs n ALA 30 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1mfs h PRO 31 N 11.75 0.00 -4.31 0.00 0.13 -2.03 -3.47 132.00 134.06 1mfs h PRO 31 Ca -0.05 -0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.93 1mfs h PRO 31 Cb 1.28 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.26 1mfs h PRO 31 CO 1.36 0.75 -0.64 -0.98 -0.23 0.00 0.00 178.00 178.27 1mfs s ARG 32 N -3.22 0.81 0.19 0.86 1.70 -1.26 -5.08 118.95 112.96 1mfs s ARG 32 Ca -0.17 -1.33 0.00 0.00 -0.47 0.00 0.00 55.73 53.76 1mfs s ARG 32 Cb -0.01 0.24 0.00 0.00 -0.57 0.00 0.00 34.95 34.61 1mfs s ARG 32 CO 0.68 -0.21 0.00 1.17 -1.08 0.00 0.00 175.30 175.86 1mfs n LYS 33 N -0.02 0.00 -1.66 3.89 0.00 -1.26 -5.04 118.16 114.06 1mfs n LYS 33 Ca -0.09 0.00 -0.66 0.00 0.00 0.00 0.00 58.31 57.56 1mfs n LYS 33 Cb 0.63 -0.25 -0.10 0.00 0.00 0.00 0.00 35.03 35.30 1mfs n LYS 33 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1mfs n LYS 34 N -3.48 0.07 0.00 1.64 3.00 -1.26 -4.62 118.16 113.51 1mfs n LYS 34 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 58.31 58.33 1mfs n LYS 34 Cb 0.01 -1.54 0.00 0.00 0.00 0.00 0.00 35.03 33.50 1mfs n LYS 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1mfs n GLY 35 N 4.61 3.31 3.61 3.14 0.00 -1.26 -4.89 105.19 113.71 1mfs n GLY 35 Ca 0.35 -0.91 -0.50 0.00 0.00 0.00 0.00 46.02 44.96 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 7.91 0.79 -0.11 0.00 7.02 -1.26 -0.08 117.44 131.71 1mfs n TRP 37 Ca 0.29 -0.32 -0.19 0.00 -1.02 0.00 0.00 57.50 56.26 1mfs n TRP 37 Cb 0.27 -0.14 -0.09 0.00 -2.42 0.00 0.00 31.31 28.93 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 0.52 -0.04 -0.99 3.00 -1.26 -4.68 118.16 115.27 1mfs n LYS 38 Ca 0.14 0.16 -0.01 0.00 -0.00 0.00 0.00 58.31 58.60 1mfs n LYS 38 Cb 0.52 -1.39 -0.10 0.00 0.00 0.00 0.00 35.03 34.06 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 2.07 0.83 3.76 0.00 0.00 0.88 -4.68 105.19 108.05 1mfs n GLY 40 Ca -0.13 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.67 4.56 -0.42 1.61 2.36 -1.17 -4.80 119.74 121.21 1mfs s LYS 41 Ca 0.00 1.16 -0.22 0.00 -2.55 0.00 0.00 55.97 54.36 1mfs s LYS 41 Cb 0.00 -3.32 0.02 0.00 -1.05 0.00 0.00 37.83 33.48 1mfs s LYS 41 CO 0.00 0.40 0.70 -1.83 1.55 0.00 0.00 175.35 176.17 1mfs s GLU 42 N -0.53 3.43 0.00 4.03 -1.05 -1.26 0.22 118.70 123.54 1mfs s GLU 42 Ca 0.38 -0.15 0.00 0.00 -0.15 0.00 0.00 54.97 55.05 1mfs s GLU 42 Cb -0.22 -3.91 0.00 0.00 -0.44 0.00 0.00 34.13 29.56 1mfs s GLU 42 CO 0.25 -0.98 0.00 0.41 0.95 0.00 0.00 175.26 175.89 1mfs n GLY 43 N 4.91 1.30 3.90 -3.83 0.00 -1.26 -4.97 105.19 105.24 1mfs n GLY 43 Ca 0.00 -0.05 -0.20 0.00 0.00 0.00 0.00 46.02 45.77 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 0.00 2.74 0.50 1.61 -3.43 -1.26 -4.80 115.29 110.64 1mfs s HIS 44 Ca 0.00 -0.47 0.02 0.00 -0.80 0.00 0.00 55.06 53.82 1mfs s HIS 44 Cb 0.00 -2.18 -0.02 0.00 -1.43 0.00 0.00 32.58 28.95 1mfs s HIS 44 CO 0.00 -0.15 0.05 1.14 -2.00 0.00 0.00 174.74 173.78 1mfs s GLN 45 N -4.16 2.18 0.13 -0.38 -2.07 -1.26 0.17 119.66 114.28 1mfs s GLN 45 Ca 0.49 -2.31 -0.22 0.00 -1.82 0.00 0.00 55.36 51.49 1mfs s GLN 45 Cb -0.04 -1.62 -0.01 0.00 -1.09 0.00 0.00 33.01 30.25 1mfs s GLN 45 CO 0.29 -0.35 1.66 0.52 -1.32 0.00 0.00 175.29 176.09 1mfs h MET 46 N 1.34 -0.19 0.00 9.60 2.86 -1.92 0.65 114.93 127.27 1mfs h MET 46 Ca -0.43 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.22 1mfs h MET 46 Cb 1.30 0.04 0.00 0.00 0.06 0.00 0.00 31.60 33.01 1mfs h MET 46 CO 0.73 -0.12 0.03 -0.22 1.06 0.00 0.00 176.91 178.38 1mfs h LYS 47 N -0.19 0.00 -0.60 1.72 1.63 -2.02 0.37 116.57 117.48 1mfs h LYS 47 Ca 0.10 0.00 -0.44 0.00 -0.85 0.00 0.00 60.65 59.46 1mfs h LYS 47 Cb 0.34 0.00 -0.37 0.00 -0.60 0.00 0.00 32.23 31.60 1mfs h LYS 47 CO -0.26 0.00 -0.82 -0.25 -3.45 0.00 0.00 179.45 174.67 1mfs n ASP 48 N -3.04 4.05 -4.58 4.20 8.00 0.99 -5.01 116.55 121.16 1mfs n ASP 48 Ca -0.03 -3.54 -0.43 0.00 0.71 0.00 0.00 54.79 51.50 1mfs n ASP 48 Cb 0.10 -0.38 -0.03 0.00 -0.02 0.00 0.00 41.12 40.79 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 6.66 0.11 0.00 0.00 5.66 -1.26 -4.80 114.28 120.65 1mfs n THR 50 Ca 0.09 -0.21 0.00 0.00 -3.05 0.00 0.00 64.05 60.88 1mfs n THR 50 Cb 0.49 0.14 0.00 0.00 -1.55 0.00 0.00 70.33 69.41 1mfs n THR 50 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 1mfs n GLU 51 N -0.10 0.00 -3.30 1.09 -0.00 -1.26 -5.11 120.64 111.96 1mfs n GLU 51 Ca 0.16 0.00 -0.46 0.00 -0.00 0.00 0.00 57.16 56.86 1mfs n GLU 51 Cb 0.24 0.00 -0.04 0.00 -0.00 0.00 0.00 31.44 31.64 1mfs n GLU 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 1mfs s ARG 52 N 0.00 3.13 0.00 3.44 3.52 -1.26 -4.43 118.95 123.34 1mfs s ARG 52 Ca 0.00 -1.84 0.00 0.00 -0.13 0.00 0.00 55.73 53.76 1mfs s ARG 52 Cb 0.00 -4.33 0.00 0.00 -1.56 0.00 0.00 34.95 29.06 1mfs s ARG 52 CO 0.00 -1.34 0.00 0.00 -0.81 0.00 0.00 175.30 173.15 1mfs n GLN 53 N 5.06 0.00 0.00 5.12 10.64 -1.26 -4.66 117.38 132.28 1mfs n GLN 53 Ca -0.08 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.09 1mfs n GLN 53 Cb 0.42 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.80 1mfs n GLN 53 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1mfs n ALA 54 N 5.96 0.00 -1.13 2.61 0.00 -1.26 -5.09 120.51 121.60 1mfs n ALA 54 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1mfs n ALA 54 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1mfs n ALA 54 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77