#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 -0.57 0.00 0.03 10.64 -1.26 -4.56 117.38 121.66 1mfs n GLN 2 Ca 0.00 0.37 0.00 0.00 -1.83 0.00 0.00 57.00 55.54 1mfs n GLN 2 Cb 0.00 -0.69 0.00 0.00 -0.86 0.00 0.00 30.24 28.69 1mfs n GLN 2 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 1mfs n LYS 3 N -1.36 0.00 -0.68 2.61 5.02 -1.26 -4.89 118.16 117.60 1mfs n LYS 3 Ca 0.00 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.38 1mfs n LYS 3 Cb 0.13 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.12 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 0.00 -1.60 3.62 0.72 0.00 -1.26 -5.03 105.19 101.64 1mfs n GLY 4 Ca 0.00 -1.15 -0.03 0.00 0.00 0.00 0.00 46.02 44.84 1mfs n GLY 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mfs s ASN 5 N -5.30 -0.08 0.43 1.61 2.20 -1.26 -5.18 114.94 107.36 1mfs s ASN 5 Ca 0.00 0.03 0.08 0.00 -0.94 0.00 0.00 52.86 52.03 1mfs s ASN 5 Cb 0.00 0.08 0.01 0.00 -2.00 0.00 0.00 41.25 39.34 1mfs s ASN 5 CO 0.00 -0.12 0.58 0.72 -2.94 0.00 0.00 177.10 175.34 1mfs s PHE 6 N -1.91 2.70 0.02 1.54 -0.12 -1.26 -4.93 117.98 114.02 1mfs s PHE 6 Ca 0.10 -0.43 0.00 0.00 -0.05 0.00 0.00 56.93 56.55 1mfs s PHE 6 Cb -0.01 -2.36 0.00 0.00 -0.63 0.00 0.00 43.02 40.02 1mfs s PHE 6 CO -0.04 -0.46 0.00 -2.13 -0.05 0.00 0.00 175.22 172.53 1mfs n ARG 7 N -1.87 -4.43 0.07 1.99 0.63 -1.26 -4.95 116.66 106.84 1mfs n ARG 7 Ca 0.08 3.29 -0.09 0.00 -0.92 0.00 0.00 57.85 60.21 1mfs n ARG 7 Cb 0.59 -4.08 -0.06 0.00 0.45 0.00 0.00 32.46 29.36 1mfs n ARG 7 CO 0.00 0.00 0.00 -0.97 -2.51 0.00 0.00 177.63 174.15 1mfs h ASN 8 N 3.62 -0.22 -0.09 6.15 -1.24 -1.91 -3.46 115.58 118.42 1mfs h ASN 8 Ca 0.00 -0.26 0.08 0.00 0.71 0.00 0.00 56.30 56.83 1mfs h ASN 8 Cb 0.00 0.06 -0.16 0.00 0.73 0.00 0.00 38.32 38.95 1mfs h ASN 8 CO 0.00 0.32 -0.07 -1.58 -1.29 0.00 0.00 177.43 174.81 1mfs s GLN 9 N -3.14 0.09 0.39 6.67 2.00 -1.26 -5.13 119.66 119.27 1mfs s GLN 9 Ca -0.10 -0.07 0.00 0.00 -2.00 0.00 0.00 55.36 53.19 1mfs s GLN 9 Cb 0.00 0.00 0.00 0.00 0.80 0.00 0.00 33.01 33.81 1mfs s GLN 9 CO 0.38 -0.11 0.00 0.54 -0.50 0.00 0.00 175.29 175.60 1mfs n ARG 10 N 2.91 -4.91 -2.84 1.67 5.12 -1.26 -4.89 116.66 112.46 1mfs n ARG 10 Ca 0.09 3.56 -0.02 0.00 -1.93 0.00 0.00 57.85 59.54 1mfs n ARG 10 Cb 0.65 -3.93 0.00 0.00 -1.16 0.00 0.00 32.46 28.03 1mfs n ARG 10 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 1mfs n LYS 11 N 0.27 -2.79 0.02 5.56 4.81 -1.26 -5.01 118.16 119.76 1mfs n LYS 11 Ca 0.00 2.34 0.00 0.00 -0.87 0.00 0.00 58.31 59.78 1mfs n LYS 11 Cb 0.00 -4.59 0.00 0.00 0.02 0.00 0.00 35.03 30.46 1mfs n LYS 11 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1mfs n THR 12 N 0.65 0.22 -4.27 3.15 -1.04 -1.26 -4.91 114.28 106.81 1mfs n THR 12 Ca 0.01 0.07 -0.15 0.00 -2.04 0.00 0.00 64.05 61.95 1mfs n THR 12 Cb 0.17 -1.26 -0.10 0.00 -1.82 0.00 0.00 70.33 67.32 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 -2.00 1.03 -0.22 12.58 -7.23 -1.26 -5.02 120.40 118.28 1mfs s VAL 13 Ca 0.00 -2.03 -0.01 0.00 -1.81 0.00 0.00 61.98 58.13 1mfs s VAL 13 Cb 0.00 -2.05 0.02 0.00 0.56 0.00 0.00 36.38 34.91 1mfs s VAL 13 CO 0.00 -0.57 -0.12 -1.59 -0.31 0.00 0.00 175.10 172.52 1mfs s LYS 14 N -3.82 2.96 -0.11 4.82 -2.85 -1.26 -1.06 119.74 118.43 1mfs s LYS 14 Ca 0.22 -0.87 -0.29 0.00 -1.00 0.00 0.00 55.97 54.02 1mfs s LYS 14 Cb 0.04 -2.82 -0.06 0.00 -2.06 0.00 0.00 37.83 32.93 1mfs s LYS 14 CO 0.04 -0.30 2.03 0.00 0.10 0.00 0.00 175.35 177.22 1mfs n PHE 16 N 9.52 0.28 -0.13 0.00 3.72 -1.26 0.22 117.46 129.80 1mfs n PHE 16 Ca 0.24 -0.13 -0.25 0.00 -0.05 0.00 0.00 57.45 57.26 1mfs n PHE 16 Cb 0.43 -0.03 -0.10 0.00 -0.94 0.00 0.00 39.48 38.84 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 0.04 1.93 -0.10 4.37 5.15 -1.26 -4.72 115.26 120.66 1mfs n ASN 17 Ca 0.06 0.19 -0.12 0.00 -0.60 0.00 0.00 54.58 54.10 1mfs n ASN 17 Cb 0.20 -0.66 -0.10 0.00 -0.53 0.00 0.00 39.78 38.68 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 2.39 1.41 3.71 0.00 0.00 0.13 -4.87 105.19 107.96 1mfs n GLY 19 Ca -0.33 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.39 3.17 -0.13 1.61 2.47 -1.20 -4.84 119.74 120.43 1mfs s LYS 20 Ca 0.00 -0.35 -0.21 0.00 -1.56 0.00 0.00 55.97 53.84 1mfs s LYS 20 Cb 0.00 -2.90 -0.03 0.00 -1.46 0.00 0.00 37.83 33.43 1mfs s LYS 20 CO 0.00 0.67 0.63 -1.83 0.16 0.00 0.00 175.35 174.98 1mfs s GLU 21 N -0.78 4.34 0.00 4.03 -1.05 -1.26 -0.51 118.70 123.47 1mfs s GLU 21 Ca 0.12 0.70 0.00 0.00 -0.15 0.00 0.00 54.97 55.65 1mfs s GLU 21 Cb -0.12 -3.49 0.00 0.00 -0.44 0.00 0.00 34.13 30.08 1mfs s GLU 21 CO 0.02 -0.03 0.00 0.41 0.95 0.00 0.00 175.26 176.61 1mfs n GLY 22 N 3.38 1.21 3.24 -3.83 0.00 -0.22 -4.84 105.19 104.13 1mfs n GLY 22 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.89 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 0.81 0.38 1.61 -3.43 -1.25 -4.78 115.29 108.64 1mfs s HIS 23 Ca 0.00 -1.14 0.08 0.00 -0.80 0.00 0.00 55.06 53.20 1mfs s HIS 23 Cb 0.00 -0.36 -0.02 0.00 -1.43 0.00 0.00 32.58 30.77 1mfs s HIS 23 CO 0.00 -0.64 0.37 0.96 -2.00 0.00 0.00 174.74 173.43 1mfs s ILE 24 N -4.06 3.13 0.29 -5.38 -4.36 -1.26 0.24 121.20 109.80 1mfs s ILE 24 Ca 0.27 -1.30 -0.03 0.00 -0.26 0.00 0.00 60.65 59.33 1mfs s ILE 24 Cb 0.06 -3.10 0.26 0.00 1.25 0.00 0.00 42.46 40.93 1mfs s ILE 24 CO 0.05 -0.08 1.96 0.00 0.24 0.00 0.00 174.94 177.11 1mfs h ALA 25 N 1.07 1.39 0.00 2.27 0.00 -1.88 0.23 119.26 122.34 1mfs h ALA 25 Ca -0.43 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1mfs h ALA 25 Cb 1.26 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1mfs h ALA 25 CO 0.56 0.56 0.00 -0.22 0.00 0.00 0.00 179.25 180.16 1mfs h LYS 26 N 1.15 0.00 -0.31 0.00 3.11 -2.00 0.78 116.57 119.30 1mfs h LYS 26 Ca 0.31 0.00 -0.13 0.00 -2.81 0.00 0.00 60.65 58.02 1mfs h LYS 26 Cb -0.13 0.00 -0.08 0.00 -1.00 0.00 0.00 32.23 31.03 1mfs h LYS 26 CO -0.07 0.00 -0.06 -1.71 -2.81 0.00 0.00 179.45 174.81 1mfs n ASN 27 N -3.01 2.80 -1.68 4.20 2.85 0.72 -4.98 115.26 116.14 1mfs n ASN 27 Ca -0.02 -3.56 0.00 0.00 -0.11 0.00 0.00 54.58 50.89 1mfs n ASN 27 Cb 0.14 -0.60 0.00 0.00 1.24 0.00 0.00 39.78 40.55 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 0.00 0.00 -3.93 0.00 5.12 -1.26 -5.07 116.66 111.53 1mfs n ARG 29 Ca 0.00 0.00 -0.30 0.00 -1.93 0.00 0.00 57.85 55.62 1mfs n ARG 29 Cb 0.00 0.00 -0.14 0.00 -1.16 0.00 0.00 32.46 31.16 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 0.00 3.35 1.09 7.54 0.00 -1.26 -5.10 121.76 127.39 1mfs s ALA 30 Ca 0.00 -3.36 -0.18 0.00 0.00 0.00 0.00 51.96 48.42 1mfs s ALA 30 Cb 0.00 -2.15 0.25 0.00 0.00 0.00 0.00 23.12 21.22 1mfs s ALA 30 CO 0.00 -2.04 1.23 -1.25 0.00 0.00 0.00 175.76 173.70 1mfs s PRO 31 N -0.50 -0.39 1.06 0.00 0.04 -1.26 -4.71 135.00 129.23 1mfs s PRO 31 Ca 0.19 -0.29 -0.12 0.00 0.04 0.00 0.00 61.00 60.82 1mfs s PRO 31 Cb -0.21 -1.71 0.22 0.00 0.04 0.00 0.00 34.50 32.83 1mfs s PRO 31 CO -0.03 -3.12 1.07 -0.98 0.04 0.00 0.00 177.00 173.97 1mfs s ARG 32 N -5.69 -0.06 -0.35 4.56 3.03 -1.26 -5.00 118.95 114.18 1mfs s ARG 32 Ca 0.73 0.81 0.15 0.00 2.03 0.00 0.00 55.73 59.45 1mfs s ARG 32 Cb -0.06 -1.66 0.43 0.00 -1.03 0.00 0.00 34.95 32.64 1mfs s ARG 32 CO 0.55 -3.14 1.19 1.63 -1.13 0.00 0.00 175.30 174.39 1mfs n LYS 33 N -4.50 1.25 0.00 3.89 5.02 -1.26 -4.90 118.16 117.65 1mfs n LYS 33 Ca 0.05 -2.51 0.00 0.00 -2.02 0.00 0.00 58.31 53.83 1mfs n LYS 33 Cb 0.55 -0.64 0.00 0.00 -0.02 0.00 0.00 35.03 34.92 1mfs n LYS 33 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1mfs n LYS 34 N -0.48 0.00 0.00 1.97 2.85 -1.26 -5.15 118.16 116.09 1mfs n LYS 34 Ca 0.01 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.27 1mfs n LYS 34 Cb 0.84 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.22 1mfs n LYS 34 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1mfs n GLY 35 N 0.00 0.25 3.64 2.58 0.00 -1.26 -4.45 105.19 105.95 1mfs n GLY 35 Ca 0.00 -1.08 -0.43 0.00 0.00 0.00 0.00 46.02 44.52 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 8.16 0.82 -0.10 0.00 -0.00 -1.26 0.07 117.44 125.14 1mfs n TRP 37 Ca 0.19 -0.33 -0.17 0.00 -0.00 0.00 0.00 57.50 57.19 1mfs n TRP 37 Cb 0.44 -0.14 -0.08 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 0.45 -0.02 5.87 3.00 -1.26 -4.69 118.16 122.07 1mfs n LYS 38 Ca 0.15 0.15 0.03 0.00 -0.00 0.00 0.00 58.31 58.63 1mfs n LYS 38 Cb 0.54 -1.30 -0.10 0.00 0.00 0.00 0.00 35.03 34.17 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 1.90 1.00 3.73 0.00 0.00 0.11 -5.03 105.19 106.90 1mfs n GLY 40 Ca -0.07 0.00 -0.41 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 -0.59 4.73 -0.11 1.61 -0.14 -1.22 -4.67 119.74 119.35 1mfs s LYS 41 Ca 0.00 1.45 -0.12 0.00 -1.36 0.00 0.00 55.97 55.94 1mfs s LYS 41 Cb 0.00 -3.35 -0.05 0.00 -1.68 0.00 0.00 37.83 32.75 1mfs s LYS 41 CO 0.00 0.29 0.26 -1.83 -0.76 0.00 0.00 175.35 173.31 1mfs s GLU 42 N -0.30 3.91 0.00 1.68 -1.05 -1.26 -0.58 118.70 121.09 1mfs s GLU 42 Ca 0.45 0.07 0.00 0.00 -0.15 0.00 0.00 54.97 55.35 1mfs s GLU 42 Cb -0.24 -3.30 0.00 0.00 -0.44 0.00 0.00 34.13 30.15 1mfs s GLU 42 CO 0.30 0.53 0.00 0.41 0.95 0.00 0.00 175.26 177.45 1mfs n GLY 43 N 2.56 4.48 3.87 -3.83 0.00 -1.26 -4.95 105.19 106.07 1mfs n GLY 43 Ca -0.15 -0.80 -0.27 0.00 0.00 0.00 0.00 46.02 44.80 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 1.72 0.42 1.61 -3.43 -1.26 -5.05 115.29 109.30 1mfs s HIS 44 Ca 0.00 -0.85 0.03 0.00 -0.80 0.00 0.00 55.06 53.44 1mfs s HIS 44 Cb 0.00 -1.86 -0.04 0.00 -1.43 0.00 0.00 32.58 29.25 1mfs s HIS 44 CO 0.00 -0.31 0.06 -0.65 -2.00 0.00 0.00 174.74 171.84 1mfs s GLN 45 N -4.19 1.96 0.24 -0.38 -0.21 -1.26 -3.47 119.66 112.35 1mfs s GLN 45 Ca 0.29 -2.18 -0.07 0.00 0.02 0.00 0.00 55.36 53.42 1mfs s GLN 45 Cb -0.01 -1.08 0.25 0.00 1.00 0.00 0.00 33.01 33.17 1mfs s GLN 45 CO 0.18 -0.33 1.91 1.98 -2.12 0.00 0.00 175.29 176.91 1mfs h MET 46 N 1.72 1.19 0.00 2.91 4.05 -1.93 1.51 114.93 124.39 1mfs h MET 46 Ca -0.40 -0.07 0.00 0.00 -0.28 0.00 0.00 59.70 58.95 1mfs h MET 46 Cb 1.28 -0.27 0.00 0.00 -0.80 0.00 0.00 31.60 31.81 1mfs h MET 46 CO 0.68 0.79 0.00 -0.22 0.23 0.00 0.00 176.91 178.39 1mfs h LYS 47 N 1.23 0.00 -0.04 0.39 3.64 -1.95 -1.21 116.57 118.63 1mfs h LYS 47 Ca 0.35 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.73 1mfs h LYS 47 Cb -0.10 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 1mfs h LYS 47 CO -0.09 0.00 0.00 -3.47 -2.27 0.00 0.00 179.45 173.62 1mfs n ASP 48 N -2.87 2.35 -4.59 4.20 4.64 0.30 -4.97 116.55 115.61 1mfs n ASP 48 Ca -0.00 -2.55 -0.43 0.00 -1.38 0.00 0.00 54.79 50.43 1mfs n ASP 48 Cb 0.21 -0.24 -0.02 0.00 -1.04 0.00 0.00 41.12 40.02 1mfs n ASP 48 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1mfs n THR 50 N 6.73 0.52 0.28 0.00 5.66 -1.26 -4.18 114.28 122.03 1mfs n THR 50 Ca 0.10 -0.57 0.18 0.00 -3.05 0.00 0.00 64.05 60.71 1mfs n THR 50 Cb 0.49 0.37 0.87 0.00 -1.55 0.00 0.00 70.33 70.51 1mfs n THR 50 CO 0.00 0.00 0.00 1.05 -3.05 0.00 0.00 175.07 173.07 1mfs h GLU 51 N 2.72 0.00 -1.12 1.09 -0.00 -1.91 -0.35 114.58 115.01 1mfs h GLU 51 Ca 0.00 0.00 0.31 0.00 -0.00 0.00 0.00 59.36 59.67 1mfs h GLU 51 Cb 0.62 0.00 -0.07 0.00 -0.00 0.00 0.00 28.75 29.30 1mfs h GLU 51 CO 0.00 0.00 0.78 0.07 -0.00 0.00 0.00 179.01 179.86 1mfs h ARG 52 N 0.00 0.14 0.00 1.06 0.11 -2.00 -3.42 114.38 110.26 1mfs h ARG 52 Ca 0.05 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.12 1mfs h ARG 52 Cb 0.61 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 31.66 1mfs h ARG 52 CO -0.00 0.09 0.00 1.04 0.10 0.00 0.00 179.97 181.20 1mfs n GLN 53 N -4.36 0.00 -3.60 0.08 6.02 -0.22 -5.17 117.38 110.13 1mfs n GLN 53 Ca 0.25 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.25 1mfs n GLN 53 Cb 1.11 0.00 -0.01 0.00 1.02 0.00 0.00 30.24 32.36 1mfs n GLN 53 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1mfs s ALA 54 N -1.66 -2.28 -2.00 -1.58 0.00 -0.72 -5.09 121.76 108.42 1mfs s ALA 54 Ca 0.00 1.30 0.04 0.00 0.00 0.00 0.00 51.96 53.29 1mfs s ALA 54 Cb 0.00 0.01 0.23 0.00 0.00 0.00 0.00 23.12 23.36 1mfs s ALA 54 CO 0.00 -0.83 0.70 0.27 0.00 0.00 0.00 175.76 175.91