#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mfs n GLN 2 N 0.00 -0.89 0.16 2.12 -0.06 -1.26 -5.00 117.38 112.45 1mfs n GLN 2 Ca 0.00 0.00 0.01 0.00 -2.00 0.00 0.00 57.00 55.01 1mfs n GLN 2 Cb 0.00 0.00 0.30 0.00 -4.06 0.00 0.00 30.24 26.48 1mfs n GLN 2 CO 0.00 0.00 0.00 1.57 -0.20 0.00 0.00 177.06 178.43 1mfs h LYS 3 N 0.00 0.05 -3.48 3.69 5.09 -2.09 -3.31 116.57 116.53 1mfs h LYS 3 Ca 0.00 -0.02 -0.29 0.00 0.09 0.00 0.00 60.65 60.43 1mfs h LYS 3 Cb 0.00 -0.00 0.01 0.00 0.10 0.00 0.00 32.23 32.34 1mfs h LYS 3 CO 0.00 0.47 2.15 0.41 -2.09 0.00 0.00 179.45 180.38 1mfs n GLY 4 N -0.29 2.77 0.00 0.07 0.00 -1.26 -4.57 105.19 101.91 1mfs n GLY 4 Ca -0.02 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.33 1mfs n GLY 4 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1mfs n ASN 5 N 4.24 0.00 -2.61 1.61 0.23 -1.25 -5.11 115.26 112.37 1mfs n ASN 5 Ca 0.35 0.00 -0.04 0.00 -0.53 0.00 0.00 54.58 54.36 1mfs n ASN 5 Cb 0.13 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 37.80 1mfs n ASN 5 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 1mfs n PHE 6 N -0.46 -3.62 -2.69 -2.53 3.72 -1.26 -4.93 117.46 105.69 1mfs n PHE 6 Ca 0.00 2.12 -0.05 0.00 -0.05 0.00 0.00 57.45 59.47 1mfs n PHE 6 Cb 0.00 -3.29 0.09 0.00 -0.94 0.00 0.00 39.48 35.34 1mfs n PHE 6 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 176.76 179.60 1mfs n ARG 7 N 1.91 0.53 -3.49 -1.08 1.85 -1.26 -5.03 116.66 110.09 1mfs n ARG 7 Ca -0.26 -1.20 -0.29 0.00 -1.00 0.00 0.00 57.85 55.10 1mfs n ARG 7 Cb 0.40 -0.40 -0.13 0.00 -1.05 0.00 0.00 32.46 31.28 1mfs n ARG 7 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 1mfs s ASN 8 N -0.63 3.16 -0.20 2.89 0.01 -1.26 -5.09 114.94 113.82 1mfs s ASN 8 Ca 0.19 -1.88 -0.07 0.00 -0.71 0.00 0.00 52.86 50.39 1mfs s ASN 8 Cb 0.27 -0.38 0.09 0.00 0.41 0.00 0.00 41.25 41.64 1mfs s ASN 8 CO -0.12 -0.35 0.44 0.00 -1.51 0.00 0.00 177.10 175.55 1mfs s GLN 9 N 1.43 0.35 -0.00 -0.60 -2.07 -1.26 -5.15 119.66 112.35 1mfs s GLN 9 Ca 0.15 1.06 0.08 0.00 -1.82 0.00 0.00 55.36 54.82 1mfs s GLN 9 Cb -0.21 0.36 -0.02 0.00 -1.09 0.00 0.00 33.01 32.05 1mfs s GLN 9 CO -0.12 -0.24 -0.24 -0.98 -1.32 0.00 0.00 175.29 172.39 1mfs s ARG 10 N 2.57 1.84 -0.36 9.60 1.04 -1.26 -5.06 118.95 127.32 1mfs s ARG 10 Ca -0.02 -0.89 -0.37 0.00 -1.04 0.00 0.00 55.73 53.41 1mfs s ARG 10 Cb -0.12 -1.83 -0.13 0.00 -2.04 0.00 0.00 34.95 30.83 1mfs s ARG 10 CO -0.13 0.49 2.15 1.17 -0.04 0.00 0.00 175.30 178.94 1mfs n LYS 11 N 2.33 0.93 -3.63 3.89 0.00 -1.26 -4.90 118.16 115.52 1mfs n LYS 11 Ca -0.16 0.26 -0.34 0.00 0.00 0.00 0.00 58.31 58.07 1mfs n LYS 11 Cb 0.52 -2.30 -0.05 0.00 0.00 0.00 0.00 35.03 33.20 1mfs n LYS 11 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 1mfs s THR 12 N 6.85 5.14 0.07 3.15 -1.32 -1.26 -5.05 115.64 123.23 1mfs s THR 12 Ca 1.10 0.33 -0.02 0.00 -1.21 0.00 0.00 61.69 61.89 1mfs s THR 12 Cb -0.97 -3.63 -0.03 0.00 -1.51 0.00 0.00 72.50 66.36 1mfs s THR 12 CO 0.53 0.26 0.02 0.68 -2.21 0.00 0.00 174.62 173.90 1mfs s VAL 13 N -1.42 0.18 -0.06 5.08 -7.23 -1.26 -5.05 120.40 110.64 1mfs s VAL 13 Ca 0.33 -1.75 0.05 0.00 -1.81 0.00 0.00 61.98 58.80 1mfs s VAL 13 Cb -0.13 -1.61 -0.01 0.00 0.56 0.00 0.00 36.38 35.19 1mfs s VAL 13 CO 0.19 -0.83 -0.22 -1.59 -0.31 0.00 0.00 175.10 172.33 1mfs s LYS 14 N -3.94 2.43 -0.37 4.82 -2.85 -1.13 -1.42 119.74 117.29 1mfs s LYS 14 Ca 0.10 -0.80 -0.25 0.00 -1.00 0.00 0.00 55.97 54.02 1mfs s LYS 14 Cb 0.07 -2.01 0.01 0.00 -2.06 0.00 0.00 37.83 33.85 1mfs s LYS 14 CO -0.07 0.28 0.88 0.00 0.10 0.00 0.00 175.35 176.54 1mfs n PHE 16 N 6.65 0.30 -0.09 0.00 3.72 -1.26 0.22 117.46 127.01 1mfs n PHE 16 Ca 0.06 -0.15 -0.20 0.00 -0.05 0.00 0.00 57.45 57.11 1mfs n PHE 16 Cb 0.48 0.00 -0.13 0.00 -0.94 0.00 0.00 39.48 38.90 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 0.24 2.02 -0.06 4.37 5.15 -1.26 -4.67 115.26 121.05 1mfs n ASN 17 Ca 0.12 0.02 -0.08 0.00 -0.60 0.00 0.00 54.58 54.03 1mfs n ASN 17 Cb 0.25 -0.60 -0.06 0.00 -0.53 0.00 0.00 39.78 38.84 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 2.82 1.76 3.42 0.00 0.00 0.13 -5.08 105.19 108.24 1mfs n GLY 19 Ca -0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.72 2.42 0.31 1.61 2.20 -1.17 -4.88 119.74 119.52 1mfs s LYS 20 Ca 0.00 -0.77 -0.20 0.00 -0.36 0.00 0.00 55.97 54.64 1mfs s LYS 20 Cb 0.00 -2.29 -0.09 0.00 -1.51 0.00 0.00 37.83 33.94 1mfs s LYS 20 CO 0.00 0.59 0.83 -1.83 -0.36 0.00 0.00 175.35 174.57 1mfs s GLU 21 N -0.64 4.27 0.00 4.03 4.04 -1.26 -1.17 118.70 127.96 1mfs s GLU 21 Ca 0.10 0.98 0.00 0.00 0.04 0.00 0.00 54.97 56.09 1mfs s GLU 21 Cb -0.11 -2.61 0.00 0.00 0.02 0.00 0.00 34.13 31.43 1mfs s GLU 21 CO 0.00 0.22 0.00 0.41 -1.84 0.00 0.00 175.26 174.06 1mfs n GLY 22 N 0.15 1.13 3.97 -3.83 0.00 -0.51 -4.94 105.19 101.16 1mfs n GLY 22 Ca 0.02 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.59 -4.60 1.61 1.44 -1.22 -4.91 115.22 106.96 1mfs n HIS 23 Ca 0.00 -0.83 -0.27 0.00 -2.01 0.00 0.00 57.72 54.60 1mfs n HIS 23 Cb 0.00 0.39 -0.11 0.00 0.12 0.00 0.00 29.99 30.39 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 -2.02 2.02 0.33 0.61 -4.36 -1.26 -0.29 121.20 116.22 1mfs s ILE 24 Ca 0.29 -2.04 0.02 0.00 -0.26 0.00 0.00 60.65 58.65 1mfs s ILE 24 Cb -0.01 -2.92 0.27 0.00 1.25 0.00 0.00 42.46 41.06 1mfs s ILE 24 CO 0.01 -0.04 1.97 0.00 0.24 0.00 0.00 174.94 177.11 1mfs h ALA 25 N 1.84 1.54 0.00 2.27 0.00 -1.88 0.39 119.26 123.43 1mfs h ALA 25 Ca -0.43 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1mfs h ALA 25 Cb 1.24 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1mfs h ALA 25 CO 0.78 0.38 0.00 -0.22 0.00 0.00 0.00 179.25 180.20 1mfs h LYS 26 N 0.94 0.00 -0.37 0.00 3.64 -1.96 -0.86 116.57 117.95 1mfs h LYS 26 Ca 0.30 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 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 -0.09 0.00 0.00 -1.71 -2.27 0.00 0.00 179.45 175.38 1mfs n ASN 27 N -3.06 3.84 -4.64 4.20 2.85 0.12 -4.94 115.26 113.63 1mfs n ASN 27 Ca -0.00 -2.59 -0.43 0.00 -0.11 0.00 0.00 54.58 51.45 1mfs n ASN 27 Cb 0.25 -0.46 -0.02 0.00 1.24 0.00 0.00 39.78 40.79 1mfs n ASN 27 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1mfs n ARG 29 N 6.73 1.26 -3.84 0.00 5.12 -1.26 -4.34 116.66 120.33 1mfs n ARG 29 Ca 0.11 -0.39 -0.31 0.00 -1.93 0.00 0.00 57.85 55.34 1mfs n ARG 29 Cb 0.47 -1.36 -0.11 0.00 -1.16 0.00 0.00 32.46 30.31 1mfs n ARG 29 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1mfs s ALA 30 N -1.94 3.83 0.30 7.54 0.00 -1.26 -5.08 121.76 125.16 1mfs s ALA 30 Ca 0.32 -3.73 -0.28 0.00 0.00 0.00 0.00 51.96 48.27 1mfs s ALA 30 Cb 0.16 -2.34 -0.09 0.00 0.00 0.00 0.00 23.12 20.84 1mfs s ALA 30 CO 0.25 -2.10 1.07 -1.25 0.00 0.00 0.00 175.76 173.74 1mfs s PRO 31 N -1.19 4.55 -0.27 0.00 0.04 -1.26 -4.91 135.00 131.96 1mfs s PRO 31 Ca 0.24 1.71 -0.01 0.00 0.04 0.00 0.00 61.00 62.98 1mfs s PRO 31 Cb -0.09 -3.05 0.13 0.00 0.04 0.00 0.00 34.50 31.53 1mfs s PRO 31 CO -0.13 0.16 0.30 0.50 0.04 0.00 0.00 177.00 177.87 1mfs s ARG 32 N -1.67 0.31 0.00 4.56 3.52 -1.26 -5.06 118.95 119.35 1mfs s ARG 32 Ca 0.47 -0.01 0.00 0.00 -0.13 0.00 0.00 55.73 56.06 1mfs s ARG 32 Cb -0.29 -0.71 0.00 0.00 -1.56 0.00 0.00 34.95 32.39 1mfs s ARG 32 CO 0.37 -0.93 0.84 1.17 -0.81 0.00 0.00 175.30 175.94 1mfs n LYS 33 N 5.32 0.00 0.00 5.12 0.00 -1.26 -4.92 118.16 122.42 1mfs n LYS 33 Ca -0.03 0.58 0.00 0.00 0.00 0.00 0.00 58.31 58.86 1mfs n LYS 33 Cb 0.47 -1.34 0.00 0.00 0.00 0.00 0.00 35.03 34.16 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 -1.93 0.00 -1.25 1.64 5.02 -1.26 -4.93 118.16 115.46 1mfs n LYS 34 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1mfs n LYS 34 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1mfs n LYS 34 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1mfs n GLY 35 N 0.00 4.94 3.59 0.72 0.00 -1.26 -4.62 105.19 108.56 1mfs n GLY 35 Ca 0.00 -2.14 -0.42 0.00 0.00 0.00 0.00 46.02 43.45 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 6.49 0.83 -0.10 0.00 -0.00 -1.26 -0.07 117.44 123.33 1mfs n TRP 37 Ca 0.04 -0.33 -0.17 0.00 -0.00 0.00 0.00 57.50 57.03 1mfs n TRP 37 Cb 0.48 -0.15 -0.09 0.00 -0.00 0.00 0.00 31.31 31.56 1mfs n TRP 37 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 177.69 178.86 1mfs n LYS 38 N 0.55 0.48 -0.03 5.87 3.00 -1.26 -4.68 118.16 122.09 1mfs n LYS 38 Ca 0.15 0.15 0.01 0.00 -0.00 0.00 0.00 58.31 58.61 1mfs n LYS 38 Cb 0.54 -1.34 -0.10 0.00 0.00 0.00 0.00 35.03 34.13 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 1.99 0.73 3.82 0.00 0.00 0.91 -5.05 105.19 107.57 1mfs n GLY 40 Ca -0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 1mfs n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mfs s LYS 41 N -0.64 4.11 0.01 1.61 -0.14 -1.19 -4.77 119.74 118.73 1mfs s LYS 41 Ca 0.00 0.63 -0.01 0.00 -1.36 0.00 0.00 55.97 55.23 1mfs s LYS 41 Cb 0.00 -3.20 -0.04 0.00 -1.68 0.00 0.00 37.83 32.91 1mfs s LYS 41 CO 0.00 0.63 0.13 -1.83 -0.76 0.00 0.00 175.35 173.52 1mfs s GLU 42 N -1.20 3.21 0.00 1.68 -1.05 -1.26 -0.07 118.70 120.01 1mfs s GLU 42 Ca 0.29 -0.44 0.00 0.00 -0.15 0.00 0.00 54.97 54.66 1mfs s GLU 42 Cb -0.18 -2.95 0.00 0.00 -0.44 0.00 0.00 34.13 30.56 1mfs s GLU 42 CO 0.18 0.65 0.00 0.41 0.95 0.00 0.00 175.26 177.44 1mfs n GLY 43 N 0.95 1.25 3.58 -3.83 0.00 -1.26 -4.95 105.19 100.92 1mfs n GLY 43 Ca -0.11 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.00 -0.26 0.22 1.61 -3.43 -1.26 -5.10 115.29 105.07 1mfs s HIS 44 Ca 0.00 0.09 0.02 0.00 -0.80 0.00 0.00 55.06 54.37 1mfs s HIS 44 Cb 0.00 0.56 -0.01 0.00 -1.43 0.00 0.00 32.58 31.70 1mfs s HIS 44 CO 0.00 -0.57 0.06 0.00 -2.00 0.00 0.00 174.74 172.23 1mfs n GLN 45 N -0.30 0.90 -0.20 -0.38 10.64 -1.26 -3.24 117.38 123.54 1mfs n GLN 45 Ca -0.07 -1.75 0.01 0.00 -1.83 0.00 0.00 57.00 53.35 1mfs n GLN 45 Cb 0.61 0.84 0.26 0.00 -0.86 0.00 0.00 30.24 31.09 1mfs n GLN 45 CO 0.00 0.00 0.00 1.98 -1.83 0.00 0.00 177.06 177.21 1mfs h MET 46 N 0.00 0.96 0.00 2.61 1.85 -1.95 1.50 114.93 119.90 1mfs h MET 46 Ca -0.17 -0.06 -0.00 0.00 -0.61 0.00 0.00 59.70 58.86 1mfs h MET 46 Cb 0.61 -0.22 -0.00 0.00 0.43 0.00 0.00 31.60 32.43 1mfs h MET 46 CO 0.27 0.63 -0.02 -0.22 -0.40 0.00 0.00 176.91 177.18 1mfs h LYS 47 N 0.98 0.00 0.00 0.39 1.63 -2.00 -1.23 116.57 116.35 1mfs h LYS 47 Ca 0.27 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.07 1mfs h LYS 47 Cb -0.10 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.53 1mfs h LYS 47 CO -0.06 0.02 -0.05 -3.47 -3.45 0.00 0.00 179.45 172.44 1mfs n ASP 48 N -3.18 1.87 -4.52 4.20 2.03 0.34 -4.98 116.55 112.30 1mfs n ASP 48 Ca -0.02 -2.51 -0.43 0.00 0.52 0.00 0.00 54.79 52.35 1mfs n ASP 48 Cb 0.17 -0.25 -0.06 0.00 -0.72 0.00 0.00 41.12 40.27 1mfs n ASP 48 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1mfs n THR 50 N 6.01 0.00 -4.60 0.00 -2.24 -1.26 -4.80 114.28 107.39 1mfs n THR 50 Ca 0.00 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.50 1mfs n THR 50 Cb 0.48 -0.41 -0.08 0.00 -2.10 0.00 0.00 70.33 68.22 1mfs n THR 50 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1mfs s GLU 51 N -2.00 2.02 0.26 -0.78 -1.05 -1.26 -5.17 118.70 110.72 1mfs s GLU 51 Ca 0.34 -2.25 -0.18 0.00 -0.15 0.00 0.00 54.97 52.72 1mfs s GLU 51 Cb 0.16 -0.95 0.02 0.00 -0.44 0.00 0.00 34.13 32.92 1mfs s GLU 51 CO 0.26 -0.43 0.63 1.03 0.95 0.00 0.00 175.26 177.70 1mfs s ARG 52 N -3.77 1.67 -0.01 -4.83 1.81 -1.26 -5.00 118.95 107.56 1mfs s ARG 52 Ca 0.18 -1.03 -0.21 0.00 -1.72 0.00 0.00 55.73 52.94 1mfs s ARG 52 Cb 0.02 0.56 -0.12 0.00 -0.45 0.00 0.00 34.95 34.97 1mfs s ARG 52 CO 0.11 -0.74 0.89 1.96 -0.68 0.00 0.00 175.30 176.83 1mfs h GLN 53 N 2.09 -0.66 0.00 3.54 4.20 -2.01 -3.46 115.11 118.80 1mfs h GLN 53 Ca -0.22 0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.53 1mfs h GLN 53 Cb 1.25 0.15 0.00 0.00 0.30 0.00 0.00 27.48 29.18 1mfs h GLN 53 CO 0.28 -0.41 0.00 0.00 -0.67 0.00 0.00 178.83 178.03 1mfs n ALA 54 N -2.70 0.00 0.45 3.87 0.00 -1.26 -5.20 120.51 115.67 1mfs n ALA 54 Ca -0.09 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.40 1mfs n ALA 54 Cb 0.29 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.78 1mfs n ALA 54 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77