#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 0.00 0.04 2.12 1.13 -1.26 -4.93 117.38 114.48 1mfs n GLN 2 Ca 0.00 0.00 0.03 0.00 -1.94 0.00 0.00 57.00 55.09 1mfs n GLN 2 Cb 0.00 0.00 0.41 0.00 0.11 0.00 0.00 30.24 30.76 1mfs n GLN 2 CO 0.00 0.00 0.00 1.57 -1.44 0.00 0.00 177.06 177.19 1mfs h LYS 3 N 0.00 0.45 -4.69 -1.09 -0.00 -2.14 -3.42 116.57 105.69 1mfs h LYS 3 Ca 0.00 -0.05 -0.39 0.00 -0.00 0.00 0.00 60.65 60.21 1mfs h LYS 3 Cb 0.00 -0.09 -0.29 0.00 -0.00 0.00 0.00 32.23 31.85 1mfs h LYS 3 CO 0.00 0.38 -0.78 0.20 -0.00 0.00 0.00 179.45 179.25 1mfs s GLY 4 N -3.81 0.43 -0.73 0.07 0.00 -1.26 -5.09 107.32 96.93 1mfs s GLY 4 Ca -0.07 -0.37 -0.21 0.00 0.00 0.00 0.00 44.72 44.06 1mfs s GLY 4 CO 0.73 -0.30 1.00 -1.31 0.00 0.00 0.00 173.10 173.23 1mfs s ASN 5 N -0.18 6.29 1.09 1.64 0.01 -1.26 -1.26 114.94 121.27 1mfs s ASN 5 Ca 0.03 -1.29 -0.21 0.00 -0.71 0.00 0.00 52.86 50.68 1mfs s ASN 5 Cb -0.04 -2.41 0.03 0.00 0.41 0.00 0.00 41.25 39.24 1mfs s ASN 5 CO -0.00 -1.33 -0.41 0.49 -1.51 0.00 0.00 177.10 174.34 1mfs n PHE 6 N 7.36 -1.39 -3.63 2.20 3.72 -1.26 -4.97 117.46 119.49 1mfs n PHE 6 Ca 0.03 0.27 -0.29 0.00 -0.05 0.00 0.00 57.45 57.42 1mfs n PHE 6 Cb 0.46 -1.51 -0.12 0.00 -0.94 0.00 0.00 39.48 37.37 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 -3.07 1.26 0.43 -1.08 3.52 -1.26 -5.03 118.95 113.73 1mfs s ARG 7 Ca 0.50 -2.12 0.00 0.00 -0.13 0.00 0.00 55.73 53.98 1mfs s ARG 7 Cb -0.05 -2.13 0.00 0.00 -1.56 0.00 0.00 34.95 31.20 1mfs s ARG 7 CO 0.65 -1.24 0.00 0.27 -0.81 0.00 0.00 175.30 174.18 1mfs n ASN 8 N 3.24 -0.91 -3.28 -2.12 6.94 -1.26 -4.74 115.26 113.12 1mfs n ASN 8 Ca 0.15 0.00 -0.07 0.00 -0.02 0.00 0.00 54.58 54.64 1mfs n ASN 8 Cb 0.38 0.00 -0.04 0.00 -2.36 0.00 0.00 39.78 37.76 1mfs n ASN 8 CO 0.00 0.00 0.00 -1.58 -1.03 0.00 0.00 177.26 174.65 1mfs s GLN 9 N 0.00 0.68 0.70 -3.83 -0.44 -1.26 -5.15 119.66 110.36 1mfs s GLN 9 Ca 0.00 -0.42 -0.08 0.00 -2.50 0.00 0.00 55.36 52.36 1mfs s GLN 9 Cb 0.00 -0.28 0.05 0.00 -1.64 0.00 0.00 33.01 31.14 1mfs s GLN 9 CO 0.00 -1.17 1.04 -0.98 0.50 0.00 0.00 175.29 174.68 1mfs s ARG 10 N 1.81 2.35 -0.22 1.67 1.70 -1.26 -3.86 118.95 121.13 1mfs s ARG 10 Ca 0.15 -0.06 -0.03 0.00 -0.47 0.00 0.00 55.73 55.32 1mfs s ARG 10 Cb -0.10 -2.13 0.03 0.00 -0.57 0.00 0.00 34.95 32.18 1mfs s ARG 10 CO -0.09 -1.19 0.07 0.36 -1.08 0.00 0.00 175.30 173.36 1mfs n LYS 11 N -2.95 -2.73 -1.92 3.89 2.85 -1.26 -4.76 118.16 111.28 1mfs n LYS 11 Ca 0.07 0.02 -0.42 0.00 -1.05 0.00 0.00 58.31 56.93 1mfs n LYS 11 Cb 0.60 -4.53 -0.03 0.00 -0.65 0.00 0.00 35.03 30.42 1mfs n LYS 11 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 177.40 177.27 1mfs s THR 12 N -2.15 3.09 0.04 0.58 -1.32 -1.25 -4.99 115.64 109.65 1mfs s THR 12 Ca 0.10 0.48 -0.00 0.00 -1.21 0.00 0.00 61.69 61.06 1mfs s THR 12 Cb -0.06 -3.31 -0.03 0.00 -1.51 0.00 0.00 72.50 67.59 1mfs s THR 12 CO 0.12 -0.01 -0.03 0.68 -2.21 0.00 0.00 174.62 173.17 1mfs s VAL 13 N 2.90 0.22 -0.09 5.08 -7.23 -1.26 -5.06 120.40 114.96 1mfs s VAL 13 Ca 0.75 -1.48 0.00 0.00 -1.81 0.00 0.00 61.98 59.44 1mfs s VAL 13 Cb -0.39 -1.06 0.02 0.00 0.56 0.00 0.00 36.38 35.51 1mfs s VAL 13 CO 0.32 -0.80 -0.07 -1.59 -0.31 0.00 0.00 175.10 172.66 1mfs s LYS 14 N -2.97 1.32 -0.28 4.82 -2.85 -1.23 -0.82 119.74 117.72 1mfs s LYS 14 Ca -0.01 -0.21 -0.29 0.00 -1.00 0.00 0.00 55.97 54.46 1mfs s LYS 14 Cb 0.01 -1.34 -0.02 0.00 -2.06 0.00 0.00 37.83 34.42 1mfs s LYS 14 CO -0.06 -0.18 1.66 0.00 0.10 0.00 0.00 175.35 176.87 1mfs n PHE 16 N 9.13 0.49 -0.10 0.00 7.35 -1.26 0.22 117.46 133.29 1mfs n PHE 16 Ca 0.20 -0.19 -0.18 0.00 -0.76 0.00 0.00 57.45 56.52 1mfs n PHE 16 Cb 0.46 -0.11 -0.08 0.00 0.35 0.00 0.00 39.48 40.09 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 0.20 2.04 -0.06 -2.13 5.15 -1.26 -4.75 115.26 114.45 1mfs n ASN 17 Ca 0.08 0.05 -0.07 0.00 -0.60 0.00 0.00 54.58 54.05 1mfs n ASN 17 Cb 0.37 -0.44 -0.08 0.00 -0.53 0.00 0.00 39.78 39.10 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 1.56 3.64 0.00 0.00 0.13 -5.06 105.19 108.00 1mfs n GLY 19 Ca -0.21 -0.06 -0.35 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.81 3.67 -0.05 1.61 2.20 -1.18 -4.84 119.74 120.34 1mfs s LYS 20 Ca 0.00 -0.37 -0.30 0.00 -0.36 0.00 0.00 55.97 54.95 1mfs s LYS 20 Cb 0.00 -3.07 -0.02 0.00 -1.51 0.00 0.00 37.83 33.23 1mfs s LYS 20 CO 0.00 0.41 0.99 -1.83 -0.36 0.00 0.00 175.35 174.56 1mfs s GLU 21 N -0.03 4.49 0.00 4.03 -1.05 -1.26 -0.41 118.70 124.47 1mfs s GLU 21 Ca 0.05 1.41 0.00 0.00 -0.15 0.00 0.00 54.97 56.28 1mfs s GLU 21 Cb -0.12 -3.50 0.00 0.00 -0.44 0.00 0.00 34.13 30.07 1mfs s GLU 21 CO 0.01 -0.18 0.00 0.41 0.95 0.00 0.00 175.26 176.45 1mfs n GLY 22 N 3.00 4.02 3.42 -3.83 0.00 -0.00 -4.94 105.19 106.86 1mfs n GLY 22 Ca 0.07 -0.62 -0.20 0.00 0.00 0.00 0.00 46.02 45.27 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 1.88 0.33 1.61 -3.43 -1.26 -4.67 115.29 109.75 1mfs s HIS 23 Ca 0.00 -0.99 0.05 0.00 -0.80 0.00 0.00 55.06 53.32 1mfs s HIS 23 Cb 0.00 -1.20 -0.01 0.00 -1.43 0.00 0.00 32.58 29.94 1mfs s HIS 23 CO 0.00 -0.05 0.48 0.96 -2.00 0.00 0.00 174.74 174.13 1mfs s ILE 24 N -3.38 4.28 0.25 -5.38 -4.36 -1.26 0.18 121.20 111.52 1mfs s ILE 24 Ca 0.36 -0.92 -0.06 0.00 -0.26 0.00 0.00 60.65 59.78 1mfs s ILE 24 Cb 0.08 -3.50 0.25 0.00 1.25 0.00 0.00 42.46 40.55 1mfs s ILE 24 CO 0.15 -0.22 1.92 0.00 0.24 0.00 0.00 174.94 177.03 1mfs h ALA 25 N 0.87 1.26 0.00 2.27 0.00 -1.85 0.26 119.26 122.07 1mfs h ALA 25 Ca -0.47 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1mfs h ALA 25 Cb 1.25 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1mfs h ALA 25 CO 0.55 0.61 0.00 -0.22 0.00 0.00 0.00 179.25 180.19 1mfs h LYS 26 N 1.31 0.00 -0.31 0.00 3.11 -1.96 -0.68 116.57 118.05 1mfs h LYS 26 Ca 0.37 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.21 1mfs h LYS 26 Cb -0.12 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.11 1mfs h LYS 26 CO -0.09 0.00 0.00 -1.71 -2.81 0.00 0.00 179.45 174.84 1mfs n ASN 27 N -2.86 4.17 -4.62 4.20 2.85 0.73 -4.95 115.26 114.78 1mfs n ASN 27 Ca 0.00 -3.00 -0.43 0.00 -0.11 0.00 0.00 54.58 51.04 1mfs n ASN 27 Cb 0.23 -0.57 -0.02 0.00 1.24 0.00 0.00 39.78 40.66 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 7.56 0.86 -4.17 0.00 3.00 -1.26 -4.75 116.66 117.89 1mfs n ARG 29 Ca 0.14 0.00 -0.27 0.00 -0.00 0.00 0.00 57.85 57.72 1mfs n ARG 29 Cb 0.47 -1.48 -0.08 0.00 0.00 0.00 0.00 32.46 31.38 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 3.26 0.00 5.13 0.00 -1.26 -5.08 121.76 121.81 1mfs s ALA 30 Ca 0.40 -1.29 0.00 0.00 0.00 0.00 0.00 51.96 51.07 1mfs s ALA 30 Cb 0.18 -1.08 0.00 0.00 0.00 0.00 0.00 23.12 22.22 1mfs s ALA 30 CO 0.31 0.53 0.23 -0.35 0.00 0.00 0.00 175.76 176.48 1mfs n PRO 31 N 0.01 0.00 -0.03 0.00 -0.04 -1.26 -4.76 135.00 128.92 1mfs n PRO 31 Ca -0.10 0.43 -0.03 0.00 -0.04 0.00 0.00 63.50 63.75 1mfs n PRO 31 Cb 0.54 -1.05 -0.05 0.00 -0.04 0.00 0.00 33.50 32.90 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 -1.78 2.74 0.00 0.54 0.00 -1.26 -4.99 116.66 111.91 1mfs n ARG 32 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1mfs n ARG 32 Cb 0.00 -1.16 0.00 0.00 -0.00 0.00 0.00 32.46 31.30 1mfs n ARG 32 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1mfs n LYS 33 N -2.27 0.00 0.00 2.89 4.76 -1.26 -4.69 118.16 117.59 1mfs n LYS 33 Ca -0.11 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.33 1mfs n LYS 33 Cb 0.70 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.89 1mfs n LYS 33 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 1mfs n LYS 34 N 0.00 0.00 0.00 1.97 -0.00 -1.26 -4.87 118.16 114.00 1mfs n LYS 34 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1mfs n LYS 34 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 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 -0.09 4.35 3.62 2.58 0.00 -1.26 -4.69 105.19 109.70 1mfs n GLY 35 Ca 0.00 -1.25 -0.43 0.00 0.00 0.00 0.00 46.02 44.34 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 10.20 0.81 -0.10 0.00 -0.00 -1.26 -0.04 117.44 127.05 1mfs n TRP 37 Ca 0.26 -0.33 -0.18 0.00 -0.00 0.00 0.00 57.50 57.25 1mfs n TRP 37 Cb 0.44 -0.14 -0.09 0.00 -0.00 0.00 0.00 31.31 31.53 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 0.00 -1.26 -4.68 118.16 119.11 1mfs n LYS 38 Ca 0.15 0.15 0.01 0.00 0.00 0.00 0.00 58.31 58.62 1mfs n LYS 38 Cb 0.53 -1.35 -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 1.98 0.32 3.59 0.00 0.00 0.95 -5.02 105.19 107.00 1mfs n GLY 40 Ca -0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.91 3.41 -0.35 1.61 2.20 -1.19 -4.67 119.74 119.83 1mfs s LYS 41 Ca 0.00 0.83 -0.29 0.00 -0.36 0.00 0.00 55.97 56.15 1mfs s LYS 41 Cb 0.00 -4.10 0.01 0.00 -1.51 0.00 0.00 37.83 32.23 1mfs s LYS 41 CO 0.00 -1.78 1.24 -1.83 -0.36 0.00 0.00 175.35 172.62 1mfs s GLU 42 N 5.32 3.87 0.00 4.03 -1.05 -1.26 -1.04 118.70 128.56 1mfs s GLU 42 Ca 0.61 1.05 0.00 0.00 -0.15 0.00 0.00 54.97 56.48 1mfs s GLU 42 Cb -0.14 -3.87 0.00 0.00 -0.44 0.00 0.00 34.13 29.68 1mfs s GLU 42 CO 0.30 -1.18 0.00 0.41 0.95 0.00 0.00 175.26 175.74 1mfs n GLY 43 N 4.42 0.84 1.22 -3.83 0.00 -1.26 -4.88 105.19 101.69 1mfs n GLY 43 Ca 0.14 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.07 1mfs n GLY 43 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1mfs n HIS 44 N 0.00 -0.07 -3.31 1.61 1.44 -1.23 -4.97 115.22 108.68 1mfs n HIS 44 Ca 0.00 -0.99 -0.02 0.00 -2.01 0.00 0.00 57.72 54.69 1mfs n HIS 44 Cb 0.00 0.04 0.00 0.00 0.12 0.00 0.00 29.99 30.15 1mfs n HIS 44 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 1mfs n GLN 45 N -0.30 0.24 -0.35 -1.40 6.02 -1.26 -0.89 117.38 119.44 1mfs n GLN 45 Ca -0.00 -0.55 0.29 0.00 -0.01 0.00 0.00 57.00 56.72 1mfs n GLN 45 Cb 0.22 0.64 0.54 0.00 1.02 0.00 0.00 30.24 32.67 1mfs n GLN 45 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1mfs h MET 46 N 0.00 0.17 -0.98 -1.09 -0.00 -1.98 0.48 114.93 111.53 1mfs h MET 46 Ca -0.07 -0.01 0.23 0.00 -0.00 0.00 0.00 59.70 59.85 1mfs h MET 46 Cb 0.29 -0.04 -0.19 0.00 -0.00 0.00 0.00 31.60 31.66 1mfs h MET 46 CO 0.10 0.11 -0.12 1.17 -0.00 0.00 0.00 176.91 178.17 1mfs n LYS 47 N -5.06 -0.08 -2.61 -0.10 0.00 -1.26 -1.45 118.16 107.60 1mfs n LYS 47 Ca 0.35 1.51 -0.11 0.00 0.00 0.00 0.00 58.31 60.06 1mfs n LYS 47 Cb 1.16 -2.32 0.03 0.00 0.00 0.00 0.00 35.03 33.90 1mfs n LYS 47 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1mfs n ASP 48 N -5.54 2.45 -4.52 3.14 9.92 0.14 -5.04 116.55 117.09 1mfs n ASP 48 Ca 0.19 -2.78 -0.43 0.00 -0.53 0.00 0.00 54.79 51.25 1mfs n ASP 48 Cb 0.62 -0.48 -0.06 0.00 -0.64 0.00 0.00 41.12 40.56 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 6.02 0.00 0.00 0.00 5.66 -1.26 -4.91 114.28 119.79 1mfs n THR 50 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1mfs n THR 50 Cb 0.48 -0.48 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1mfs n THR 50 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1mfs n GLU 51 N -0.93 0.00 -2.70 1.09 2.13 -1.26 -4.81 120.64 114.16 1mfs n GLU 51 Ca 0.19 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 58.00 1mfs n GLU 51 Cb 0.09 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 31.79 1mfs n GLU 51 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1mfs n ARG 52 N 0.00 -3.73 -2.74 5.31 3.00 -1.26 -4.57 116.66 112.67 1mfs n ARG 52 Ca 0.00 2.94 -0.08 0.00 -0.00 0.00 0.00 57.85 60.71 1mfs n ARG 52 Cb 0.00 -5.36 0.05 0.00 0.00 0.00 0.00 32.46 27.15 1mfs n ARG 52 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 1mfs n GLN 53 N 0.88 0.72 0.45 -0.14 -0.06 -1.26 -4.97 117.38 113.00 1mfs n GLN 53 Ca -0.08 -1.65 -0.18 0.00 -2.00 0.00 0.00 57.00 53.09 1mfs n GLN 53 Cb 0.12 -1.37 -0.09 0.00 -4.06 0.00 0.00 30.24 24.84 1mfs n GLN 53 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1mfs h ALA 54 N 3.95 -1.30 -0.02 1.69 0.00 -2.01 -3.57 119.26 118.01 1mfs h ALA 54 Ca -0.15 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1mfs h ALA 54 Cb 1.05 0.50 0.00 0.00 0.00 0.00 0.00 17.79 19.34 1mfs h ALA 54 CO 0.28 -1.23 0.00 0.09 0.00 0.00 0.00 179.25 178.39