#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 0.90 -3.64 2.12 7.27 -1.26 -5.11 117.38 117.65 1mfs n GLN 2 Ca 0.00 -2.22 -0.04 0.00 0.07 0.00 0.00 57.00 54.82 1mfs n GLN 2 Cb 0.00 -1.29 -0.07 0.00 2.41 0.00 0.00 30.24 31.29 1mfs n GLN 2 CO 0.00 0.00 0.00 -1.59 0.07 0.00 0.00 177.06 175.54 1mfs s LYS 3 N -0.14 0.28 -0.64 3.69 0.00 -1.26 -5.09 119.74 116.58 1mfs s LYS 3 Ca 0.29 0.40 -0.26 0.00 0.00 0.00 0.00 55.97 56.40 1mfs s LYS 3 Cb 0.26 0.10 -0.12 0.00 0.00 0.00 0.00 37.83 38.08 1mfs s LYS 3 CO -0.13 -0.04 2.46 0.41 0.00 0.00 0.00 175.35 178.05 1mfs n GLY 4 N 2.64 -0.01 3.46 0.59 0.00 -1.26 -4.83 105.19 105.79 1mfs n GLY 4 Ca -0.15 0.67 -0.13 0.00 0.00 0.00 0.00 46.02 46.41 1mfs n GLY 4 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1mfs s ASN 5 N 11.03 -0.54 -0.46 1.61 2.47 -1.26 -5.09 114.94 122.70 1mfs s ASN 5 Ca 1.05 0.18 0.09 0.00 0.42 0.00 0.00 52.86 54.61 1mfs s ASN 5 Cb -0.38 0.53 0.35 0.00 -1.45 0.00 0.00 41.25 40.30 1mfs s ASN 5 CO 0.29 -0.80 0.84 0.33 -3.72 0.00 0.00 177.10 174.04 1mfs n PHE 6 N -0.01 1.90 -1.44 0.43 -0.00 -1.26 -5.01 117.46 112.07 1mfs n PHE 6 Ca -0.16 -3.85 -0.51 0.00 -0.00 0.00 0.00 57.45 52.94 1mfs n PHE 6 Cb 0.62 -0.44 -0.04 0.00 -0.00 0.00 0.00 39.48 39.62 1mfs n PHE 6 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 1mfs n ARG 7 N 0.03 0.12 -1.43 -4.13 1.74 -1.26 -4.33 116.66 107.39 1mfs n ARG 7 Ca 0.27 0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.39 1mfs n ARG 7 Cb 0.55 -1.21 0.00 0.00 -1.02 0.00 0.00 32.46 30.78 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 1.84 -6.32 -2.54 0.55 3.02 -1.26 -4.91 115.26 105.64 1mfs n ASN 8 Ca 0.18 0.85 -0.04 0.00 -0.03 0.00 0.00 54.58 55.54 1mfs n ASN 8 Cb 0.21 -3.43 0.00 0.00 -0.61 0.00 0.00 39.78 35.95 1mfs n ASN 8 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1mfs n GLN 9 N 1.07 -2.32 -3.59 3.52 1.13 -1.26 -5.01 117.38 110.92 1mfs n GLN 9 Ca 0.00 2.05 -0.36 0.00 -1.94 0.00 0.00 57.00 56.76 1mfs n GLN 9 Cb 0.00 -4.72 -0.06 0.00 0.11 0.00 0.00 30.24 25.57 1mfs n GLN 9 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1mfs s ARG 10 N -1.86 3.76 0.25 -1.09 3.00 -1.26 -4.96 118.95 116.80 1mfs s ARG 10 Ca 0.11 0.19 0.00 0.00 0.00 0.00 0.00 55.73 56.04 1mfs s ARG 10 Cb -0.03 -3.07 0.00 0.00 0.00 0.00 0.00 34.95 31.84 1mfs s ARG 10 CO 0.62 0.62 0.00 1.63 0.00 0.00 0.00 175.30 178.17 1mfs n LYS 11 N 1.22 0.00 -2.58 3.54 4.01 -1.26 -4.95 118.16 118.14 1mfs n LYS 11 Ca -0.11 0.00 -0.43 0.00 -0.51 0.00 0.00 58.31 57.26 1mfs n LYS 11 Cb 0.52 -0.03 0.00 0.00 -0.51 0.00 0.00 35.03 35.01 1mfs n LYS 11 CO 0.00 0.00 0.00 -2.37 -1.11 0.00 0.00 177.40 173.92 1mfs n THR 12 N -3.38 4.37 -3.56 -0.18 5.66 -1.26 -4.83 114.28 111.09 1mfs n THR 12 Ca 0.00 -4.60 -0.26 0.00 -3.05 0.00 0.00 64.05 56.13 1mfs n THR 12 Cb 0.00 -2.38 -0.03 0.00 -1.55 0.00 0.00 70.33 66.38 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 0.56 5.15 -0.24 1.08 -7.23 -1.26 -4.97 120.40 113.49 1mfs s VAL 13 Ca 0.40 -0.33 -0.01 0.00 -1.81 0.00 0.00 61.98 60.23 1mfs s VAL 13 Cb 0.05 -3.77 0.07 0.00 0.56 0.00 0.00 36.38 33.29 1mfs s VAL 13 CO 0.01 -0.30 0.03 -1.59 -0.31 0.00 0.00 175.10 172.94 1mfs s LYS 14 N -3.63 0.91 -0.30 4.82 -2.85 -1.25 -0.28 119.74 117.16 1mfs s LYS 14 Ca 0.40 -0.76 -0.34 0.00 -1.00 0.00 0.00 55.97 54.27 1mfs s LYS 14 Cb -0.10 -2.20 -0.10 0.00 -2.06 0.00 0.00 37.83 33.36 1mfs s LYS 14 CO 0.31 -0.73 2.17 0.00 0.10 0.00 0.00 175.35 177.19 1mfs n PHE 16 N 9.95 0.42 -0.11 0.00 7.35 -1.26 0.21 117.46 134.01 1mfs n PHE 16 Ca 0.37 -0.17 -0.16 0.00 -0.76 0.00 0.00 57.45 56.73 1mfs n PHE 16 Cb 0.28 -0.09 -0.10 0.00 0.35 0.00 0.00 39.48 39.93 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 0.15 2.27 -0.05 -2.13 2.85 -1.26 -4.75 115.26 112.34 1mfs n ASN 17 Ca 0.08 -0.08 -0.07 0.00 -0.11 0.00 0.00 54.58 54.39 1mfs n ASN 17 Cb 0.32 -0.37 -0.05 0.00 1.24 0.00 0.00 39.78 40.92 1mfs n ASN 17 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1mfs n GLY 19 N 2.91 1.75 3.72 0.00 0.00 0.13 -5.08 105.19 108.62 1mfs n GLY 19 Ca -0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 1mfs n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mfs s LYS 20 N -0.52 3.77 -0.25 1.61 1.02 -1.18 -4.86 119.74 119.33 1mfs s LYS 20 Ca 0.00 -0.27 -0.25 0.00 0.02 0.00 0.00 55.97 55.47 1mfs s LYS 20 Cb 0.00 -3.20 -0.00 0.00 -0.52 0.00 0.00 37.83 34.11 1mfs s LYS 20 CO 0.00 0.46 0.85 -1.83 -0.92 0.00 0.00 175.35 173.91 1mfs s GLU 21 N -0.14 4.17 0.00 1.68 4.04 -1.26 -0.13 118.70 127.05 1mfs s GLU 21 Ca 0.08 0.95 0.00 0.00 0.04 0.00 0.00 54.97 56.05 1mfs s GLU 21 Cb -0.12 -3.65 0.00 0.00 0.02 0.00 0.00 34.13 30.38 1mfs s GLU 21 CO 0.01 -0.55 0.00 0.41 -1.84 0.00 0.00 175.26 173.29 1mfs n GLY 22 N 3.76 2.29 3.69 -3.83 0.00 0.61 -4.97 105.19 106.74 1mfs n GLY 22 Ca 0.06 -0.26 -0.24 0.00 0.00 0.00 0.00 46.02 45.58 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 2.65 0.39 1.61 -3.43 -1.26 -4.48 115.29 110.77 1mfs s HIS 23 Ca 0.00 -0.39 0.03 0.00 -0.80 0.00 0.00 55.06 53.90 1mfs s HIS 23 Cb 0.00 -1.56 -0.01 0.00 -1.43 0.00 0.00 32.58 29.59 1mfs s HIS 23 CO 0.00 0.41 0.57 0.96 -2.00 0.00 0.00 174.74 174.68 1mfs s ILE 24 N -2.45 4.12 0.31 -5.38 -4.36 -1.26 0.80 121.20 112.98 1mfs s ILE 24 Ca 0.36 -0.73 -0.00 0.00 -0.26 0.00 0.00 60.65 60.02 1mfs s ILE 24 Cb -0.02 -3.48 0.27 0.00 1.25 0.00 0.00 42.46 40.48 1mfs s ILE 24 CO 0.21 -0.26 1.95 0.00 0.24 0.00 0.00 174.94 177.08 1mfs h ALA 25 N 0.65 1.47 0.00 2.27 0.00 -1.87 0.39 119.26 122.18 1mfs h ALA 25 Ca -0.46 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1mfs h ALA 25 Cb 1.25 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1mfs h ALA 25 CO 0.56 0.44 0.00 -0.22 0.00 0.00 0.00 179.25 180.03 1mfs h LYS 26 N 1.05 0.00 -0.27 0.00 3.64 -1.98 -0.84 116.57 118.16 1mfs h LYS 26 Ca 0.33 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.69 1mfs h LYS 26 Cb 0.02 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1mfs h LYS 26 CO -0.10 0.00 0.00 -1.71 -2.27 0.00 0.00 179.45 175.37 1mfs n ASN 27 N -2.88 3.73 -4.62 4.20 5.15 0.12 -4.96 115.26 116.00 1mfs n ASN 27 Ca -0.00 -3.10 -0.43 0.00 -0.60 0.00 0.00 54.58 50.45 1mfs n ASN 27 Cb 0.23 -0.56 -0.02 0.00 -0.53 0.00 0.00 39.78 38.90 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 7.67 0.77 -3.65 0.00 1.74 -1.26 -4.06 116.66 117.86 1mfs n ARG 29 Ca 0.15 0.01 -0.28 0.00 -0.77 0.00 0.00 57.85 56.96 1mfs n ARG 29 Cb 0.47 -1.50 -0.12 0.00 -1.02 0.00 0.00 32.46 30.30 1mfs n ARG 29 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1mfs s ALA 30 N -2.07 2.43 -0.07 7.54 0.00 -1.26 -4.87 121.76 123.46 1mfs s ALA 30 Ca 0.38 -2.96 -0.30 0.00 0.00 0.00 0.00 51.96 49.07 1mfs s ALA 30 Cb 0.18 -1.87 -0.03 0.00 0.00 0.00 0.00 23.12 21.40 1mfs s ALA 30 CO 0.31 -2.04 1.23 -1.25 0.00 0.00 0.00 175.76 174.01 1mfs s PRO 31 N -0.38 4.33 -1.25 0.00 0.04 -1.26 -3.40 135.00 133.09 1mfs s PRO 31 Ca 0.26 1.70 -0.00 0.00 0.04 0.00 0.00 61.00 63.00 1mfs s PRO 31 Cb -0.07 -3.59 -0.00 0.00 0.04 0.00 0.00 34.50 30.88 1mfs s PRO 31 CO -0.13 -0.50 0.85 0.54 0.04 0.00 0.00 177.00 177.79 1mfs n ARG 32 N 5.45 -5.59 0.00 4.56 1.74 -1.26 -3.75 116.66 117.81 1mfs n ARG 32 Ca 0.12 0.73 0.00 0.00 -0.77 0.00 0.00 57.85 57.93 1mfs n ARG 32 Cb 0.46 -5.51 0.00 0.00 -1.02 0.00 0.00 32.46 26.39 1mfs n ARG 32 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1mfs n LYS 33 N -4.17 0.00 -3.29 5.56 4.76 -1.22 -4.60 118.16 115.20 1mfs n LYS 33 Ca -0.29 0.00 -0.20 0.00 -2.87 0.00 0.00 58.31 54.95 1mfs n LYS 33 Cb 0.67 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.86 1mfs n LYS 33 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1mfs n LYS 34 N 0.00 0.87 0.00 1.97 5.02 -1.25 -4.78 118.16 119.99 1mfs n LYS 34 Ca 0.00 -2.64 0.00 0.00 -2.02 0.00 0.00 58.31 53.65 1mfs n LYS 34 Cb 0.00 0.28 0.00 0.00 -0.02 0.00 0.00 35.03 35.29 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 -0.10 1.48 3.73 0.72 0.00 -1.23 -4.57 105.19 105.21 1mfs n GLY 35 Ca -0.02 0.00 -0.64 0.00 0.00 0.00 0.00 46.02 45.37 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 4.41 0.77 -0.10 0.00 -0.00 -1.26 0.11 117.44 121.37 1mfs n TRP 37 Ca 0.29 -0.32 -0.19 0.00 -0.00 0.00 0.00 57.50 57.28 1mfs n TRP 37 Cb 0.02 -0.12 -0.08 0.00 -0.00 0.00 0.00 31.31 31.12 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 0.56 0.48 -0.03 5.87 3.00 -1.26 -4.69 118.16 122.08 1mfs n LYS 38 Ca 0.14 0.16 0.00 0.00 -0.00 0.00 0.00 58.31 58.62 1mfs n LYS 38 Cb 0.50 -1.33 -0.10 0.00 0.00 0.00 0.00 35.03 34.11 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 2.02 0.72 3.62 0.00 0.00 0.12 -5.04 105.19 106.63 1mfs n GLY 40 Ca -0.11 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.87 4.02 -1.07 1.61 2.47 -1.14 -4.63 119.74 120.13 1mfs s LYS 41 Ca 0.00 0.77 -0.22 0.00 -1.56 0.00 0.00 55.97 54.95 1mfs s LYS 41 Cb 0.00 -3.72 -0.00 0.00 -1.46 0.00 0.00 37.83 32.65 1mfs s LYS 41 CO 0.00 -0.70 1.75 -1.83 0.16 0.00 0.00 175.35 174.73 1mfs s GLU 42 N 3.10 3.15 0.00 4.03 -1.05 -1.26 0.22 118.70 126.88 1mfs s GLU 42 Ca 0.36 -1.06 0.00 0.00 -0.15 0.00 0.00 54.97 54.12 1mfs s GLU 42 Cb -0.14 -5.29 0.00 0.00 -0.44 0.00 0.00 34.13 28.27 1mfs s GLU 42 CO 0.12 -2.91 0.00 0.41 0.95 0.00 0.00 175.26 173.83 1mfs n GLY 43 N 6.37 -1.69 3.96 -3.83 0.00 -1.26 -4.77 105.19 103.96 1mfs n GLY 43 Ca 0.41 0.59 -0.22 0.00 0.00 0.00 0.00 46.02 46.79 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 3.07 0.51 1.61 -3.43 -1.24 -4.82 115.29 110.99 1mfs s HIS 44 Ca 0.00 0.17 0.02 0.00 -0.80 0.00 0.00 55.06 54.45 1mfs s HIS 44 Cb 0.00 -2.55 -0.01 0.00 -1.43 0.00 0.00 32.58 28.59 1mfs s HIS 44 CO 0.00 -0.63 0.07 1.14 -2.00 0.00 0.00 174.74 173.32 1mfs s GLN 45 N -4.69 2.20 0.35 -0.38 -2.07 -1.26 0.18 119.66 113.99 1mfs s GLN 45 Ca 0.53 -2.32 0.03 0.00 -1.82 0.00 0.00 55.36 51.78 1mfs s GLN 45 Cb -0.10 -1.64 0.65 0.00 -1.09 0.00 0.00 33.01 30.83 1mfs s GLN 45 CO 0.39 -0.39 1.99 0.00 -1.32 0.00 0.00 175.29 175.96 1mfs h MET 46 N 1.26 0.83 0.00 9.60 -0.00 -1.93 0.60 114.93 125.30 1mfs h MET 46 Ca -0.43 -0.05 -0.02 0.00 -0.00 0.00 0.00 59.70 59.21 1mfs h MET 46 Cb 1.31 -0.19 -0.00 0.00 -0.00 0.00 0.00 31.60 32.72 1mfs h MET 46 CO 0.72 0.55 -0.08 -0.22 -0.00 0.00 0.00 176.91 177.87 1mfs h LYS 47 N 0.85 0.00 -0.18 -0.10 3.11 -2.03 -1.05 116.57 117.17 1mfs h LYS 47 Ca 0.27 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.11 1mfs h LYS 47 Cb 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.26 1mfs h LYS 47 CO -0.07 0.08 0.00 -3.47 -2.81 0.00 0.00 179.45 173.18 1mfs n ASP 48 N -3.41 2.96 -4.53 4.20 -0.08 0.46 -4.94 116.55 111.21 1mfs n ASP 48 Ca -0.01 -2.60 -0.43 0.00 -1.51 0.00 0.00 54.79 50.24 1mfs n ASP 48 Cb 0.24 -0.34 -0.06 0.00 2.34 0.00 0.00 41.12 43.30 1mfs n ASP 48 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1mfs n THR 50 N 6.03 0.07 -1.39 0.00 5.66 -1.26 -4.96 114.28 118.42 1mfs n THR 50 Ca 0.01 0.02 0.16 0.00 -3.05 0.00 0.00 64.05 61.19 1mfs n THR 50 Cb 0.48 -0.64 -0.09 0.00 -1.55 0.00 0.00 70.33 68.53 1mfs n THR 50 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1mfs n GLU 51 N -1.08 -3.09 0.00 1.09 -0.58 -1.26 -5.00 120.64 110.72 1mfs n GLU 51 Ca 0.16 2.51 0.00 0.00 -0.42 0.00 0.00 57.16 59.41 1mfs n GLU 51 Cb 0.11 -3.67 0.00 0.00 -0.57 0.00 0.00 31.44 27.31 1mfs n GLU 51 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 1mfs n ARG 52 N -4.26 0.00 0.00 3.49 0.00 -1.26 -5.00 116.66 109.63 1mfs n ARG 52 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.77 1mfs n ARG 52 Cb 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 33.11 1mfs n ARG 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1mfs n GLN 53 N 0.00 0.00 -1.39 2.89 10.64 -1.26 -5.15 117.38 123.11 1mfs n GLN 53 Ca 0.00 0.00 0.17 0.00 -1.83 0.00 0.00 57.00 55.34 1mfs n GLN 53 Cb 0.00 0.00 -0.06 0.00 -0.86 0.00 0.00 30.24 29.32 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 0.00 -3.69 1.60 2.61 0.00 -1.26 -5.32 120.51 114.45 1mfs n ALA 54 Ca 0.00 0.63 0.14 0.00 0.00 0.00 0.00 53.44 54.21 1mfs n ALA 54 Cb 0.00 -1.38 0.61 0.00 0.00 0.00 0.00 19.45 18.68 1mfs n ALA 54 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59