#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 -1.45 -2.92 3.17 3.00 -1.26 -4.93 117.38 112.99 1mfs n GLN 2 Ca 0.00 1.48 -0.30 0.00 -0.01 0.00 0.00 57.00 58.17 1mfs n GLN 2 Cb 0.00 -2.57 -0.03 0.00 0.00 0.00 0.00 30.24 27.64 1mfs n GLN 2 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 1mfs s LYS 3 N -1.40 3.73 0.00 -1.09 2.20 -1.26 -4.30 119.74 117.62 1mfs s LYS 3 Ca 0.05 0.36 0.00 0.00 -0.36 0.00 0.00 55.97 56.02 1mfs s LYS 3 Cb -0.01 -2.43 0.00 0.00 -1.51 0.00 0.00 37.83 33.88 1mfs s LYS 3 CO 0.35 -0.01 0.00 0.41 -0.36 0.00 0.00 175.35 175.74 1mfs n GLY 4 N -1.33 2.27 0.29 5.54 0.00 -1.26 -4.82 105.19 105.88 1mfs n GLY 4 Ca 0.01 -0.68 -0.11 0.00 0.00 0.00 0.00 46.02 45.25 1mfs n GLY 4 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1mfs h ASN 5 N 0.00 -0.59 -3.38 1.61 2.35 -1.99 -3.49 115.58 110.10 1mfs h ASN 5 Ca 0.00 0.02 0.34 0.00 -0.55 0.00 0.00 56.30 56.11 1mfs h ASN 5 Cb 0.00 0.15 -0.17 0.00 0.05 0.00 0.00 38.32 38.35 1mfs h ASN 5 CO 0.00 -0.24 -1.12 0.33 -1.65 0.00 0.00 177.43 174.76 1mfs n PHE 6 N -4.90 -3.65 -2.78 1.19 7.35 -1.26 -4.97 117.46 108.45 1mfs n PHE 6 Ca -0.09 1.99 -0.02 0.00 -0.76 0.00 0.00 57.45 58.58 1mfs n PHE 6 Cb 0.27 -3.32 0.00 0.00 0.35 0.00 0.00 39.48 36.78 1mfs n PHE 6 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1mfs n ARG 7 N -4.27 -3.15 0.04 -4.13 5.12 -1.26 -5.02 116.66 103.98 1mfs n ARG 7 Ca -0.08 2.58 -0.01 0.00 -1.93 0.00 0.00 57.85 58.42 1mfs n ARG 7 Cb 0.66 -5.22 -0.00 0.00 -1.16 0.00 0.00 32.46 26.74 1mfs n ARG 7 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1mfs n ASN 8 N 0.54 1.13 -2.78 0.55 4.13 -1.26 -5.11 115.26 112.46 1mfs n ASN 8 Ca 0.02 0.15 -0.03 0.00 1.68 0.00 0.00 54.58 56.39 1mfs n ASN 8 Cb 0.12 -0.35 -0.03 0.00 -1.54 0.00 0.00 39.78 37.97 1mfs n ASN 8 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1mfs n GLN 9 N -3.52 -3.37 -1.96 3.52 3.00 -1.26 -4.65 117.38 109.14 1mfs n GLN 9 Ca -0.01 2.65 -0.25 0.00 -0.01 0.00 0.00 57.00 59.38 1mfs n GLN 9 Cb 0.04 -3.72 -0.07 0.00 0.00 0.00 0.00 30.24 26.49 1mfs n GLN 9 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 1mfs s ARG 10 N -0.61 2.24 0.00 -1.09 0.52 -1.26 -4.66 118.95 114.10 1mfs s ARG 10 Ca -0.17 -0.78 0.00 0.00 -0.52 0.00 0.00 55.73 54.26 1mfs s ARG 10 Cb 0.01 -5.14 0.00 0.00 0.52 0.00 0.00 34.95 30.34 1mfs s ARG 10 CO 0.54 -4.14 0.00 1.17 0.02 0.00 0.00 175.30 172.89 1mfs n LYS 11 N 8.41 0.00 0.00 3.54 3.00 -1.26 -5.11 118.16 126.73 1mfs n LYS 11 Ca 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.74 1mfs n LYS 11 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.49 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 0.00 0.00 -0.32 3.15 -1.04 -1.26 -4.87 114.28 109.94 1mfs n THR 12 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1mfs n THR 12 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1mfs n THR 12 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 1mfs n VAL 13 N -1.66 0.00 -4.48 12.58 0.24 -1.26 -2.10 118.33 121.65 1mfs n VAL 13 Ca 0.00 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 61.98 1mfs n VAL 13 Cb 0.00 0.00 -0.11 0.00 -1.47 0.00 0.00 33.84 32.26 1mfs n VAL 13 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1mfs s LYS 14 N 0.00 2.41 -0.36 7.34 -2.85 -1.25 -1.34 119.74 123.69 1mfs s LYS 14 Ca 0.00 -0.81 -0.24 0.00 -1.00 0.00 0.00 55.97 53.92 1mfs s LYS 14 Cb 0.00 -2.42 0.01 0.00 -2.06 0.00 0.00 37.83 33.36 1mfs s LYS 14 CO 0.00 0.58 0.84 0.00 0.10 0.00 0.00 175.35 176.87 1mfs n PHE 16 N 6.52 0.33 -0.11 0.00 3.72 -1.26 0.24 117.46 126.89 1mfs n PHE 16 Ca 0.05 -0.14 -0.20 0.00 -0.05 0.00 0.00 57.45 57.10 1mfs n PHE 16 Cb 0.48 -0.06 -0.07 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 0.09 1.82 -0.04 4.37 5.15 -1.26 -4.69 115.26 120.70 1mfs n ASN 17 Ca 0.07 0.31 0.03 0.00 -0.60 0.00 0.00 54.58 54.39 1mfs n ASN 17 Cb 0.25 -0.73 -0.15 0.00 -0.53 0.00 0.00 39.78 38.62 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 1.56 0.73 3.74 0.00 0.00 0.14 -5.04 105.19 106.30 1mfs n GLY 19 Ca -0.13 0.00 -0.41 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 -0.69 4.71 0.12 1.61 2.20 -1.22 -4.63 119.74 121.85 1mfs s LYS 20 Ca 0.00 1.54 -0.20 0.00 -0.36 0.00 0.00 55.97 56.95 1mfs s LYS 20 Cb 0.00 -3.32 -0.07 0.00 -1.51 0.00 0.00 37.83 32.93 1mfs s LYS 20 CO 0.00 0.26 0.63 -1.83 -0.36 0.00 0.00 175.35 174.05 1mfs s GLU 21 N -0.45 4.26 0.00 4.03 -1.05 -1.26 -0.73 118.70 123.50 1mfs s GLU 21 Ca 0.46 0.82 0.00 0.00 -0.15 0.00 0.00 54.97 56.10 1mfs s GLU 21 Cb -0.26 -3.16 0.00 0.00 -0.44 0.00 0.00 34.13 30.27 1mfs s GLU 21 CO 0.32 0.57 0.00 0.41 0.95 0.00 0.00 175.26 177.51 1mfs n GLY 22 N 1.45 1.58 3.51 -3.83 0.00 -0.45 -4.92 105.19 102.53 1mfs n GLY 22 Ca -0.08 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.09 1.00 0.41 1.61 -3.43 -0.89 -4.44 115.29 108.45 1mfs s HIS 23 Ca 0.00 -1.26 0.07 0.00 -0.80 0.00 0.00 55.06 53.07 1mfs s HIS 23 Cb 0.00 -0.03 -0.05 0.00 -1.43 0.00 0.00 32.58 31.07 1mfs s HIS 23 CO 0.00 -1.16 0.17 0.96 -2.00 0.00 0.00 174.74 172.71 1mfs s ILE 24 N -3.02 2.33 0.21 -5.38 -4.36 -1.25 0.03 121.20 109.76 1mfs s ILE 24 Ca 0.30 -1.72 -0.10 0.00 -0.26 0.00 0.00 60.65 58.87 1mfs s ILE 24 Cb -0.01 -2.99 0.15 0.00 1.25 0.00 0.00 42.46 40.86 1mfs s ILE 24 CO 0.20 -0.01 1.85 0.00 0.24 0.00 0.00 174.94 177.21 1mfs h ALA 25 N 1.46 0.96 0.00 2.27 0.00 -1.88 0.13 119.26 122.19 1mfs h ALA 25 Ca -0.43 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.39 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 0.70 0.43 0.00 -0.22 0.00 0.00 0.00 179.25 180.16 1mfs h LYS 26 N 1.03 0.00 -0.23 0.00 3.11 -1.98 -0.17 116.57 118.32 1mfs h LYS 26 Ca 0.27 0.00 -0.12 0.00 -2.81 0.00 0.00 60.65 57.99 1mfs h LYS 26 Cb -0.03 0.00 -0.07 0.00 -1.00 0.00 0.00 32.23 31.12 1mfs h LYS 26 CO -0.05 0.00 -0.24 -1.71 -2.81 0.00 0.00 179.45 174.64 1mfs n ASN 27 N -2.87 2.22 -4.66 4.20 5.15 0.30 -4.99 115.26 114.60 1mfs n ASN 27 Ca -0.01 -3.84 -0.41 0.00 -0.60 0.00 0.00 54.58 49.71 1mfs n ASN 27 Cb 0.15 -0.60 -0.04 0.00 -0.53 0.00 0.00 39.78 38.76 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 5.41 1.33 -3.32 0.00 1.85 -1.26 -5.04 116.66 115.63 1mfs n ARG 29 Ca 0.04 -1.42 -0.20 0.00 -1.00 0.00 0.00 57.85 55.27 1mfs n ARG 29 Cb 0.49 -1.31 0.02 0.00 -1.05 0.00 0.00 32.46 30.60 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 0.83 -2.23 -1.57 2.89 0.00 -1.26 -4.90 120.51 114.27 1mfs n ALA 30 Ca 0.09 0.22 -0.31 0.00 0.00 0.00 0.00 53.44 53.45 1mfs n ALA 30 Cb 0.41 -1.49 0.05 0.00 0.00 0.00 0.00 19.45 18.41 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 -1.79 2.95 0.08 0.00 0.04 -1.26 -4.89 135.00 130.12 1mfs s PRO 31 Ca 0.20 0.96 0.00 0.00 0.04 0.00 0.00 61.00 62.20 1mfs s PRO 31 Cb -0.02 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.53 1mfs s PRO 31 CO 0.49 -1.09 0.00 0.54 0.04 0.00 0.00 177.00 176.98 1mfs n ARG 32 N -3.10 0.00 -2.82 4.56 5.12 -1.26 -5.11 116.66 114.04 1mfs n ARG 32 Ca 0.08 0.00 -0.03 0.00 -1.93 0.00 0.00 57.85 55.97 1mfs n ARG 32 Cb 0.53 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.81 1mfs n ARG 32 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1mfs n LYS 33 N -2.72 -3.11 0.00 5.56 4.76 -1.26 -4.72 118.16 116.67 1mfs n LYS 33 Ca 0.00 2.48 0.00 0.00 -2.87 0.00 0.00 58.31 57.92 1mfs n LYS 33 Cb 0.00 -3.40 0.00 0.00 -1.84 0.00 0.00 35.03 29.79 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 1.87 0.00 0.00 1.97 2.85 -1.26 -4.61 118.16 118.98 1mfs n LYS 34 Ca -0.22 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.04 1mfs n LYS 34 Cb 0.37 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.75 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 -2.28 3.64 2.58 0.00 -1.26 -4.78 105.19 103.08 1mfs n GLY 35 Ca 0.00 -1.23 -0.45 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 8.36 0.82 -0.10 0.00 -0.00 -1.26 -0.05 117.44 125.22 1mfs n TRP 37 Ca 0.25 -0.33 -0.17 0.00 -0.00 0.00 0.00 57.50 57.24 1mfs n TRP 37 Cb 0.36 -0.14 -0.09 0.00 -0.00 0.00 0.00 31.31 31.44 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 4.81 -1.26 -4.67 118.16 123.92 1mfs n LYS 38 Ca 0.15 0.15 0.02 0.00 -0.87 0.00 0.00 58.31 57.75 1mfs n LYS 38 Cb 0.54 -1.35 -0.10 0.00 0.02 0.00 0.00 35.03 34.14 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 1.95 0.74 3.89 0.00 0.00 0.93 -5.05 105.19 107.65 1mfs n GLY 40 Ca -0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.44 3.54 0.34 1.61 -0.14 -1.19 -4.79 119.74 118.66 1mfs s LYS 41 Ca 0.00 -0.17 0.03 0.00 -1.36 0.00 0.00 55.97 54.47 1mfs s LYS 41 Cb 0.00 -3.05 -0.02 0.00 -1.68 0.00 0.00 37.83 33.08 1mfs s LYS 41 CO 0.00 0.63 0.52 -1.83 -0.76 0.00 0.00 175.35 173.91 1mfs s GLU 42 N -1.98 3.32 0.00 1.68 -1.05 -1.26 -0.58 118.70 118.83 1mfs s GLU 42 Ca 0.30 -0.58 0.00 0.00 -0.15 0.00 0.00 54.97 54.54 1mfs s GLU 42 Cb -0.13 -2.72 0.00 0.00 -0.44 0.00 0.00 34.13 30.84 1mfs s GLU 42 CO 0.19 0.10 0.00 0.41 0.95 0.00 0.00 175.26 176.91 1mfs n GLY 43 N -1.74 2.01 0.00 -3.83 0.00 -1.26 -4.92 105.19 95.45 1mfs n GLY 43 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.16 0.00 -0.95 1.61 1.44 -1.26 -5.08 115.22 110.81 1mfs n HIS 44 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1mfs n HIS 44 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 1mfs n HIS 44 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1mfs n GLN 45 N 0.00 -2.45 -0.33 -1.40 0.00 -1.26 -3.36 117.38 108.58 1mfs n GLN 45 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 57.00 57.13 1mfs n GLN 45 Cb 0.00 0.00 0.31 0.00 0.00 0.00 0.00 30.24 30.55 1mfs n GLN 45 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.06 179.04 1mfs h MET 46 N 0.00 0.63 -1.97 2.61 1.85 -1.95 1.53 114.93 117.64 1mfs h MET 46 Ca 0.00 -0.04 0.57 0.00 -0.61 0.00 0.00 59.70 59.63 1mfs h MET 46 Cb 0.00 -0.14 -0.08 0.00 0.43 0.00 0.00 31.60 31.80 1mfs h MET 46 CO 0.00 0.42 1.41 -0.22 -0.40 0.00 0.00 176.91 178.12 1mfs h LYS 47 N 0.65 0.00 -0.08 0.39 3.11 -2.04 -1.21 116.57 117.39 1mfs h LYS 47 Ca 0.56 -0.00 -0.18 0.00 -2.81 0.00 0.00 60.65 58.22 1mfs h LYS 47 Cb 0.92 -0.00 -0.20 0.00 -1.00 0.00 0.00 32.23 31.96 1mfs h LYS 47 CO -0.41 0.00 -0.43 -0.25 -2.81 0.00 0.00 179.45 175.54 1mfs n ASP 48 N -3.96 -0.90 0.00 4.20 8.00 0.74 -5.06 116.55 119.57 1mfs n ASP 48 Ca 0.45 -2.19 0.00 0.00 0.71 0.00 0.00 54.79 53.76 1mfs n ASP 48 Cb 2.02 0.47 0.00 0.00 -0.02 0.00 0.00 41.12 43.59 1mfs n ASP 48 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1mfs n THR 50 N 0.00 0.00 -1.54 0.00 -2.24 -1.26 -4.39 114.28 104.85 1mfs n THR 50 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1mfs n THR 50 Cb 0.00 -1.21 0.00 0.00 -2.10 0.00 0.00 70.33 67.02 1mfs n THR 50 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1mfs n GLU 51 N -1.60 -4.26 -0.07 -0.78 2.13 -1.26 -4.63 120.64 110.17 1mfs n GLU 51 Ca -0.12 3.23 -0.02 0.00 0.66 0.00 0.00 57.16 60.91 1mfs n GLU 51 Cb 0.43 -3.81 -0.02 0.00 0.27 0.00 0.00 31.44 28.32 1mfs n GLU 51 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1mfs n ARG 52 N -1.65 -0.08 -1.48 5.31 1.74 -1.26 -4.46 116.66 114.78 1mfs n ARG 52 Ca 0.00 1.04 -0.31 0.00 -0.77 0.00 0.00 57.85 57.81 1mfs n ARG 52 Cb 0.21 -1.55 0.07 0.00 -1.02 0.00 0.00 32.46 30.17 1mfs n ARG 52 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1mfs s GLN 53 N -3.46 2.51 0.01 5.56 1.11 -1.26 -5.08 119.66 119.05 1mfs s GLN 53 Ca -0.02 0.91 -0.11 0.00 0.01 0.00 0.00 55.36 56.15 1mfs s GLN 53 Cb 0.02 -1.94 0.01 0.00 -1.01 0.00 0.00 33.01 30.09 1mfs s GLN 53 CO 0.11 -1.39 0.23 0.00 0.01 0.00 0.00 175.29 174.24 1mfs s ALA 54 N -3.04 -0.54 0.00 6.09 0.00 -1.26 -4.98 121.76 118.03 1mfs s ALA 54 Ca 0.60 0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.58 1mfs s ALA 54 Cb -0.15 0.15 0.00 0.00 0.00 0.00 0.00 23.12 23.12 1mfs s ALA 54 CO 0.55 -0.28 0.00 0.09 0.00 0.00 0.00 175.76 176.13