#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mfs s GLN 2 N 0.00 0.08 -0.36 0.03 -1.52 -1.26 -5.08 119.66 111.55 1mfs s GLN 2 Ca 0.00 -0.01 -0.08 0.00 -1.95 0.00 0.00 55.36 53.32 1mfs s GLN 2 Cb 0.00 0.04 0.01 0.00 -0.22 0.00 0.00 33.01 32.84 1mfs s GLN 2 CO 0.00 -0.03 0.30 1.63 -0.25 0.00 0.00 175.29 176.94 1mfs n LYS 3 N 0.18 -2.82 -1.93 2.91 5.02 -1.26 -4.79 118.16 115.48 1mfs n LYS 3 Ca 0.03 2.38 -0.40 0.00 -2.02 0.00 0.00 58.31 58.30 1mfs n LYS 3 Cb 0.57 -5.40 -0.02 0.00 -0.02 0.00 0.00 35.03 30.16 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 0.16 2.87 7.00 0.72 0.00 -1.26 -4.91 105.19 109.77 1mfs n GLY 4 Ca 0.06 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.76 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 8.58 -0.13 -1.80 1.61 0.23 -1.26 -2.08 115.26 120.41 1mfs n ASN 5 Ca 0.49 0.00 -0.14 0.00 -0.53 0.00 0.00 54.58 54.40 1mfs n ASN 5 Cb 0.43 0.00 0.04 0.00 -2.08 0.00 0.00 39.78 38.17 1mfs n ASN 5 CO 0.00 0.00 0.00 2.22 -0.93 0.00 0.00 177.26 178.55 1mfs n PHE 6 N -0.00 1.36 -1.18 -2.53 -1.74 -1.26 -5.00 117.46 107.12 1mfs n PHE 6 Ca 0.00 -1.74 0.00 0.00 -0.56 0.00 0.00 57.45 55.15 1mfs n PHE 6 Cb 0.00 -0.85 0.00 0.00 1.52 0.00 0.00 39.48 40.15 1mfs n PHE 6 CO 0.00 0.00 0.00 2.89 -0.56 0.00 0.00 176.76 179.09 1mfs n ARG 7 N 0.37 0.00 0.00 3.97 1.85 -0.88 -4.97 116.66 117.00 1mfs n ARG 7 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.12 1mfs n ARG 7 Cb 0.63 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.04 1mfs n ARG 7 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 1mfs n ASN 8 N -3.76 0.00 0.00 2.89 5.15 -1.26 -4.99 115.26 113.29 1mfs n ASN 8 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1mfs n ASN 8 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1mfs n ASN 8 CO 0.00 0.00 0.00 1.67 1.40 0.00 0.00 177.26 180.33 1mfs n GLN 9 N 0.00 0.00 -0.33 1.20 0.00 -1.26 -4.73 117.38 112.27 1mfs n GLN 9 Ca 0.00 0.00 0.16 0.00 -0.00 0.00 0.00 57.00 57.16 1mfs n GLN 9 Cb 0.00 0.00 0.31 0.00 0.00 0.00 0.00 30.24 30.55 1mfs n GLN 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1mfs n ARG 10 N 0.00 -0.07 0.00 3.69 1.74 -1.26 -4.04 116.66 116.72 1mfs n ARG 10 Ca 0.00 1.41 0.00 0.00 -0.77 0.00 0.00 57.85 58.49 1mfs n ARG 10 Cb 0.00 -2.27 0.00 0.00 -1.02 0.00 0.00 32.46 29.17 1mfs n ARG 10 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 1mfs n LYS 11 N -5.38 0.00 0.00 5.56 -0.00 -1.26 -5.01 118.16 112.07 1mfs n LYS 11 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.55 1mfs n LYS 11 Cb 0.79 -0.23 0.00 0.00 -0.00 0.00 0.00 35.03 35.59 1mfs n LYS 11 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 1mfs n THR 12 N -2.34 0.00 -4.10 0.58 -1.04 -1.26 -3.79 114.28 102.34 1mfs n THR 12 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.90 1mfs n THR 12 Cb 0.09 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.49 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 0.00 0.52 -0.17 12.58 -7.23 -1.26 -5.00 120.40 119.84 1mfs s VAL 13 Ca 0.00 -1.51 -0.02 0.00 -1.81 0.00 0.00 61.98 58.64 1mfs s VAL 13 Cb 0.00 -1.13 -0.01 0.00 0.56 0.00 0.00 36.38 35.80 1mfs s VAL 13 CO 0.00 -0.67 -0.08 -1.59 -0.31 0.00 0.00 175.10 172.44 1mfs s LYS 14 N -2.79 3.43 -0.19 4.82 -2.85 -1.24 0.21 119.74 121.13 1mfs s LYS 14 Ca 0.00 -0.63 -0.29 0.00 -1.00 0.00 0.00 55.97 54.05 1mfs s LYS 14 Cb -0.01 -2.82 -0.03 0.00 -2.06 0.00 0.00 37.83 32.91 1mfs s LYS 14 CO -0.03 0.06 1.54 0.00 0.10 0.00 0.00 175.35 177.02 1mfs n PHE 16 N 7.84 0.66 -0.07 0.00 -0.00 -1.26 0.22 117.46 124.84 1mfs n PHE 16 Ca 0.17 -0.24 -0.13 0.00 -0.00 0.00 0.00 57.45 57.25 1mfs n PHE 16 Cb 0.45 -0.18 -0.06 0.00 -0.00 0.00 0.00 39.48 39.69 1mfs n PHE 16 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 1mfs n ASN 17 N 0.25 1.67 -0.04 -2.13 5.15 -1.26 -4.75 115.26 114.14 1mfs n ASN 17 Ca 0.10 0.09 -0.02 0.00 -0.60 0.00 0.00 54.58 54.15 1mfs n ASN 17 Cb 0.50 -0.35 -0.10 0.00 -0.53 0.00 0.00 39.78 39.30 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 2.10 0.60 3.73 0.00 0.00 0.13 -5.04 105.19 106.72 1mfs n GLY 19 Ca -0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.80 4.39 -0.49 1.61 2.47 -1.23 -4.61 119.74 121.08 1mfs s LYS 20 Ca 0.00 2.04 -0.24 0.00 -1.56 0.00 0.00 55.97 56.20 1mfs s LYS 20 Cb 0.00 -3.21 0.03 0.00 -1.46 0.00 0.00 37.83 33.20 1mfs s LYS 20 CO 0.00 -0.26 0.89 -1.83 0.16 0.00 0.00 175.35 174.32 1mfs s GLU 21 N 0.01 3.44 0.00 4.03 4.04 -1.26 -0.36 118.70 128.60 1mfs s GLU 21 Ca 0.57 -0.04 0.00 0.00 0.04 0.00 0.00 54.97 55.54 1mfs s GLU 21 Cb -0.36 -3.97 0.00 0.00 0.02 0.00 0.00 34.13 29.82 1mfs s GLU 21 CO 0.37 -1.28 0.00 0.41 -1.84 0.00 0.00 175.26 172.92 1mfs n GLY 22 N 5.00 -0.53 1.00 -3.83 0.00 0.13 -4.97 105.19 102.00 1mfs n GLY 22 Ca 0.04 0.34 -0.06 0.00 0.00 0.00 0.00 46.02 46.34 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 -2.18 -4.50 1.61 1.44 -1.25 -4.00 115.22 106.34 1mfs n HIS 23 Ca 0.00 -0.57 -0.26 0.00 -2.01 0.00 0.00 57.72 54.88 1mfs n HIS 23 Cb 0.00 -0.13 -0.10 0.00 0.12 0.00 0.00 29.99 29.88 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 -0.25 2.33 0.38 0.61 -4.36 -1.26 -0.61 121.20 118.04 1mfs s ILE 24 Ca 0.13 -2.18 0.06 0.00 -0.26 0.00 0.00 60.65 58.40 1mfs s ILE 24 Cb -0.01 -2.65 0.21 0.00 1.25 0.00 0.00 42.46 41.26 1mfs s ILE 24 CO 0.08 -0.22 1.97 0.00 0.24 0.00 0.00 174.94 177.02 1mfs h ALA 25 N 2.00 1.55 0.00 2.27 0.00 -1.88 0.18 119.26 123.38 1mfs h ALA 25 Ca -0.42 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1mfs h ALA 25 Cb 1.25 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1mfs h ALA 25 CO 0.69 0.35 0.00 -0.22 0.00 0.00 0.00 179.25 180.07 1mfs h LYS 26 N 0.52 0.00 -0.23 0.00 3.64 -1.98 -0.69 116.57 117.83 1mfs h LYS 26 Ca 0.13 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1mfs h LYS 26 Cb 0.13 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1mfs h LYS 26 CO -0.01 0.00 0.00 0.09 -2.27 0.00 0.00 179.45 177.26 1mfs n ASN 27 N -2.88 3.40 -4.67 4.20 3.02 0.48 -4.96 115.26 113.85 1mfs n ASN 27 Ca -0.00 -2.77 -0.39 0.00 -0.03 0.00 0.00 54.58 51.39 1mfs n ASN 27 Cb 0.22 -0.44 -0.07 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 4.68 2.00 -1.31 0.00 1.85 -1.26 -4.99 116.66 117.64 1mfs n ARG 29 Ca -0.05 -1.69 -0.35 0.00 -1.00 0.00 0.00 57.85 54.75 1mfs n ARG 29 Cb 0.51 -1.44 0.09 0.00 -1.05 0.00 0.00 32.46 30.57 1mfs n ARG 29 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1mfs n ALA 30 N 1.03 -0.38 -2.32 2.89 0.00 -1.26 -4.82 120.51 115.65 1mfs n ALA 30 Ca 0.12 -0.22 -0.35 0.00 0.00 0.00 0.00 53.44 53.00 1mfs n ALA 30 Cb 0.55 -2.10 -0.04 0.00 0.00 0.00 0.00 19.45 17.86 1mfs n ALA 30 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1mfs s PRO 31 N -3.38 3.15 0.00 0.00 0.04 -1.26 -4.73 135.00 128.82 1mfs s PRO 31 Ca 0.72 -1.07 0.26 0.00 0.04 0.00 0.00 61.00 60.95 1mfs s PRO 31 Cb -0.34 -5.29 1.55 0.00 0.04 0.00 0.00 34.50 30.46 1mfs s PRO 31 CO 0.51 -2.92 1.94 2.89 0.04 0.00 0.00 177.00 179.47 1mfs n ARG 32 N 8.66 0.90 0.00 4.56 1.85 -1.26 -4.98 116.66 126.38 1mfs n ARG 32 Ca 0.41 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.26 1mfs n ARG 32 Cb 0.48 -1.45 0.00 0.00 -1.05 0.00 0.00 32.46 30.44 1mfs n ARG 32 CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 177.63 177.98 1mfs n LYS 33 N -0.95 0.00 -3.15 2.89 2.85 -1.26 -4.83 118.16 113.71 1mfs n LYS 33 Ca 0.19 0.00 0.05 0.00 -1.05 0.00 0.00 58.31 57.50 1mfs n LYS 33 Cb 0.09 0.00 -0.00 0.00 -0.65 0.00 0.00 35.03 34.47 1mfs n LYS 33 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1mfs s LYS 34 N 0.00 0.36 0.17 -1.58 1.02 -1.26 -5.15 119.74 113.30 1mfs s LYS 34 Ca 0.00 0.41 0.00 0.00 0.02 0.00 0.00 55.97 56.40 1mfs s LYS 34 Cb 0.00 0.20 0.00 0.00 -0.52 0.00 0.00 37.83 37.51 1mfs s LYS 34 CO 0.00 -0.60 0.00 0.41 -0.92 0.00 0.00 175.35 174.24 1mfs n GLY 35 N 5.31 -1.71 3.61 -3.33 0.00 -1.26 -4.67 105.19 103.13 1mfs n GLY 35 Ca 0.05 -1.35 -0.43 0.00 0.00 0.00 0.00 46.02 44.28 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 7.04 0.84 -0.10 0.00 -0.00 -1.26 -0.03 117.44 123.94 1mfs n TRP 37 Ca 0.10 -0.34 -0.16 0.00 -0.00 0.00 0.00 57.50 57.09 1mfs n TRP 37 Cb 0.48 -0.15 -0.08 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 0.56 0.46 -0.04 5.87 4.81 -1.26 -4.69 118.16 123.87 1mfs n LYS 38 Ca 0.15 0.14 -0.00 0.00 -0.87 0.00 0.00 58.31 57.72 1mfs n LYS 38 Cb 0.55 -1.32 -0.10 0.00 0.02 0.00 0.00 35.03 34.18 1mfs n LYS 38 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1mfs n GLY 40 N 2.02 0.73 3.72 0.00 0.00 0.96 -4.95 105.19 107.68 1mfs n GLY 40 Ca -0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.73 4.29 -0.80 1.61 2.47 -1.18 -4.76 119.74 120.64 1mfs s LYS 41 Ca 0.00 2.18 -0.03 0.00 -1.56 0.00 0.00 55.97 56.56 1mfs s LYS 41 Cb 0.00 -3.20 0.22 0.00 -1.46 0.00 0.00 37.83 33.39 1mfs s LYS 41 CO 0.00 -0.46 2.29 -0.85 0.16 0.00 0.00 175.35 176.48 1mfs n GLU 42 N 3.64 3.26 0.00 4.03 0.28 -1.26 -0.30 120.64 130.29 1mfs n GLU 42 Ca 0.11 -3.30 0.00 0.00 -0.16 0.00 0.00 57.16 53.81 1mfs n GLU 42 Cb 0.41 -2.30 0.00 0.00 1.43 0.00 0.00 31.44 30.98 1mfs n GLU 42 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1mfs n GLY 43 N 0.26 -1.38 3.75 -1.84 0.00 -1.26 -4.99 105.19 99.73 1mfs n GLY 43 Ca 0.52 0.36 -0.29 0.00 0.00 0.00 0.00 46.02 46.61 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 -0.50 2.48 0.10 1.61 -3.43 -1.26 -4.87 115.29 109.42 1mfs s HIS 44 Ca 0.00 1.11 0.00 0.00 -0.80 0.00 0.00 55.06 55.38 1mfs s HIS 44 Cb 0.00 -3.20 -0.00 0.00 -1.43 0.00 0.00 32.58 27.95 1mfs s HIS 44 CO 0.00 -2.27 0.01 0.00 -2.00 0.00 0.00 174.74 170.48 1mfs n GLN 45 N -3.76 1.52 -0.26 -0.38 10.64 -1.26 -3.13 117.38 120.74 1mfs n GLN 45 Ca 0.07 -0.74 -0.02 0.00 -1.83 0.00 0.00 57.00 54.48 1mfs n GLN 45 Cb 0.57 0.25 0.17 0.00 -0.86 0.00 0.00 30.24 30.36 1mfs n GLN 45 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.06 175.75 1mfs h MET 46 N 0.00 1.10 0.00 2.61 2.86 -1.92 1.50 114.93 121.08 1mfs h MET 46 Ca -0.08 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.45 1mfs h MET 46 Cb 0.26 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 31.69 1mfs h MET 46 CO 0.13 0.78 0.00 -0.22 1.06 0.00 0.00 176.91 178.66 1mfs h LYS 47 N 1.12 0.00 0.00 1.72 1.63 -2.03 -1.27 116.57 117.73 1mfs h LYS 47 Ca 0.29 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.09 1mfs h LYS 47 Cb -0.02 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.61 1mfs h LYS 47 CO -0.05 0.00 -0.07 -0.25 -3.45 0.00 0.00 179.45 175.62 1mfs n ASP 48 N -2.87 1.79 -4.53 4.20 9.92 0.12 -4.98 116.55 120.20 1mfs n ASP 48 Ca -0.01 -2.57 -0.43 0.00 -0.53 0.00 0.00 54.79 51.25 1mfs n ASP 48 Cb 0.18 -0.28 -0.06 0.00 -0.64 0.00 0.00 41.12 40.32 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 -0.99 0.00 5.66 -1.26 -4.94 114.28 118.77 1mfs n THR 50 Ca 0.00 0.00 0.13 0.00 -3.05 0.00 0.00 64.05 61.13 1mfs n THR 50 Cb 0.48 -0.45 -0.04 0.00 -1.55 0.00 0.00 70.33 68.77 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 -0.91 -2.09 -2.66 1.09 4.71 -1.26 -5.01 120.64 114.52 1mfs n GLU 51 Ca 0.18 1.50 -0.03 0.00 -0.01 0.00 0.00 57.16 58.81 1mfs n GLU 51 Cb 0.08 -2.51 -0.02 0.00 -1.01 0.00 0.00 31.44 27.98 1mfs n GLU 51 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1mfs n ARG 52 N -3.57 -3.42 -2.33 3.49 1.74 -1.26 -5.02 116.66 106.30 1mfs n ARG 52 Ca -0.02 2.62 -0.16 0.00 -0.77 0.00 0.00 57.85 59.53 1mfs n ARG 52 Cb 0.46 -3.47 0.07 0.00 -1.02 0.00 0.00 32.46 28.50 1mfs n ARG 52 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1mfs n GLN 53 N 2.00 0.47 0.00 5.56 10.64 -1.26 -4.58 117.38 130.21 1mfs n GLN 53 Ca -0.22 -2.23 0.00 0.00 -1.83 0.00 0.00 57.00 52.73 1mfs n GLN 53 Cb 0.33 -0.30 0.00 0.00 -0.86 0.00 0.00 30.24 29.41 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 -2.66 0.00 -0.50 2.61 0.00 -1.26 -5.18 120.51 113.52 1mfs n ALA 54 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1mfs n ALA 54 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 1mfs n ALA 54 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59