#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 -3.64 3.17 7.27 -1.26 -5.15 117.38 117.77 1mfs n GLN 2 Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 57.00 57.02 1mfs n GLN 2 Cb 0.00 0.00 -0.07 0.00 2.41 0.00 0.00 30.24 32.58 1mfs n GLN 2 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 1mfs s LYS 3 N -2.00 0.20 0.00 3.69 2.47 -1.26 -5.16 119.74 117.68 1mfs s LYS 3 Ca 0.00 0.23 0.00 0.00 -1.56 0.00 0.00 55.97 54.64 1mfs s LYS 3 Cb 0.00 0.10 0.00 0.00 -1.46 0.00 0.00 37.83 36.47 1mfs s LYS 3 CO 0.00 -0.03 0.00 0.41 0.16 0.00 0.00 175.35 175.89 1mfs n GLY 4 N 1.72 0.11 3.91 5.54 0.00 -1.26 -5.06 105.19 110.16 1mfs n GLY 4 Ca -0.11 -1.62 -0.20 0.00 0.00 0.00 0.00 46.02 44.09 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 -1.45 5.53 -0.80 1.61 2.20 -1.26 -5.07 114.94 115.70 1mfs s ASN 5 Ca 0.00 -0.40 -0.13 0.00 -0.94 0.00 0.00 52.86 51.39 1mfs s ASN 5 Cb 0.00 -1.04 0.21 0.00 -2.00 0.00 0.00 41.25 38.42 1mfs s ASN 5 CO 0.00 -0.40 0.74 0.12 -2.94 0.00 0.00 177.10 174.61 1mfs s PHE 6 N -2.27 3.72 -0.37 1.54 5.36 -1.26 -4.96 117.98 119.74 1mfs s PHE 6 Ca 0.43 -2.02 0.01 0.00 -0.96 0.00 0.00 56.93 54.39 1mfs s PHE 6 Cb -0.07 -3.78 0.12 0.00 -0.34 0.00 0.00 43.02 38.95 1mfs s PHE 6 CO 0.28 -0.98 0.17 1.03 -1.46 0.00 0.00 175.22 174.26 1mfs s ARG 7 N 0.20 0.99 0.50 10.12 1.81 -1.26 -5.10 118.95 126.21 1mfs s ARG 7 Ca 0.17 -1.54 0.00 0.00 -1.72 0.00 0.00 55.73 52.64 1mfs s ARG 7 Cb -0.12 -2.15 0.00 0.00 -0.45 0.00 0.00 34.95 32.24 1mfs s ARG 7 CO -0.08 -1.08 0.00 0.27 -0.68 0.00 0.00 175.30 173.73 1mfs n ASN 8 N 4.19 -1.04 -4.61 0.23 0.23 -1.26 -4.78 115.26 108.22 1mfs n ASN 8 Ca 0.04 0.00 -0.26 0.00 -0.53 0.00 0.00 54.58 53.83 1mfs n ASN 8 Cb 0.38 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 37.98 1mfs n ASN 8 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1mfs s GLN 9 N 0.00 1.97 0.00 -3.83 -2.07 -1.26 -4.84 119.66 109.62 1mfs s GLN 9 Ca 0.00 -1.96 0.00 0.00 -1.82 0.00 0.00 55.36 51.58 1mfs s GLN 9 Cb 0.00 -1.75 0.00 0.00 -1.09 0.00 0.00 33.01 30.17 1mfs s GLN 9 CO 0.00 0.04 0.00 0.54 -1.32 0.00 0.00 175.29 174.55 1mfs n ARG 10 N -0.94 0.00 0.00 9.60 5.12 -1.26 -4.82 116.66 124.36 1mfs n ARG 10 Ca -0.04 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.88 1mfs n ARG 10 Cb 0.65 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.95 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 0.00 0.00 -2.06 5.56 4.81 -1.26 -5.02 118.16 120.19 1mfs n LYS 11 Ca 0.00 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.15 1mfs n LYS 11 Cb 0.00 0.00 0.04 0.00 0.02 0.00 0.00 35.03 35.09 1mfs n LYS 11 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1mfs s THR 12 N -2.27 3.48 0.20 3.15 -4.23 -1.26 -5.09 115.64 109.62 1mfs s THR 12 Ca 0.00 0.29 0.11 0.00 -1.18 0.00 0.00 61.69 60.91 1mfs s THR 12 Cb 0.00 -3.45 -0.04 0.00 1.34 0.00 0.00 72.50 70.35 1mfs s THR 12 CO 0.00 -0.55 -0.18 0.68 -0.54 0.00 0.00 174.62 174.04 1mfs s VAL 13 N -3.24 2.68 0.01 2.29 -7.23 -1.26 -5.04 120.40 108.61 1mfs s VAL 13 Ca 0.57 -1.95 0.08 0.00 -1.81 0.00 0.00 61.98 58.87 1mfs s VAL 13 Cb -0.11 -2.32 -0.02 0.00 0.56 0.00 0.00 36.38 34.49 1mfs s VAL 13 CO 0.49 -0.15 -0.24 -1.59 -0.31 0.00 0.00 175.10 173.30 1mfs s LYS 14 N -2.85 1.78 -0.43 4.82 -2.85 -1.17 -1.10 119.74 117.95 1mfs s LYS 14 Ca 0.23 -0.96 -0.24 0.00 -1.00 0.00 0.00 55.97 54.01 1mfs s LYS 14 Cb -0.08 -1.83 0.02 0.00 -2.06 0.00 0.00 37.83 33.88 1mfs s LYS 14 CO 0.12 0.49 0.86 0.00 0.10 0.00 0.00 175.35 176.92 1mfs n PHE 16 N 6.85 0.26 -0.09 0.00 3.72 -1.26 0.22 117.46 127.15 1mfs n PHE 16 Ca 0.04 -0.13 -0.21 0.00 -0.05 0.00 0.00 57.45 57.11 1mfs n PHE 16 Cb 0.48 0.00 -0.12 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 0.11 2.01 -0.08 4.37 2.85 -1.26 -4.68 115.26 118.58 1mfs n ASN 17 Ca 0.10 0.07 -0.10 0.00 -0.11 0.00 0.00 54.58 54.53 1mfs n ASN 17 Cb 0.21 -0.63 -0.07 0.00 1.24 0.00 0.00 39.78 40.53 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 2.77 1.84 3.43 0.00 0.00 0.13 -5.09 105.19 108.28 1mfs n GLY 19 Ca -0.27 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.62 3.15 0.12 1.61 1.02 -1.15 -4.88 119.74 118.98 1mfs s LYS 20 Ca 0.00 -0.65 -0.29 0.00 0.02 0.00 0.00 55.97 55.05 1mfs s LYS 20 Cb 0.00 -2.60 -0.06 0.00 -0.52 0.00 0.00 37.83 34.65 1mfs s LYS 20 CO 0.00 0.36 0.91 -1.83 -0.92 0.00 0.00 175.35 173.88 1mfs s GLU 21 N -0.02 4.68 0.00 1.68 -1.05 -1.26 -0.87 118.70 121.85 1mfs s GLU 21 Ca -0.02 1.37 0.00 0.00 -0.15 0.00 0.00 54.97 56.17 1mfs s GLU 21 Cb -0.14 -3.36 0.00 0.00 -0.44 0.00 0.00 34.13 30.19 1mfs s GLU 21 CO 0.04 0.28 0.00 0.41 0.95 0.00 0.00 175.26 176.94 1mfs n GLY 22 N 2.14 0.87 3.82 -3.83 0.00 -0.26 -4.94 105.19 103.00 1mfs n GLY 22 Ca 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.50 0.04 0.36 1.61 -3.43 -1.20 -4.86 115.29 107.32 1mfs s HIS 23 Ca 0.00 -0.64 0.08 0.00 -0.80 0.00 0.00 55.06 53.70 1mfs s HIS 23 Cb 0.00 0.79 -0.04 0.00 -1.43 0.00 0.00 32.58 31.90 1mfs s HIS 23 CO 0.00 -1.47 0.19 0.96 -2.00 0.00 0.00 174.74 172.42 1mfs s ILE 24 N -2.81 2.87 0.26 -5.38 -4.36 -1.26 0.17 121.20 110.69 1mfs s ILE 24 Ca 0.14 -1.63 -0.04 0.00 -0.26 0.00 0.00 60.65 58.87 1mfs s ILE 24 Cb -0.05 -3.00 0.26 0.00 1.25 0.00 0.00 42.46 40.92 1mfs s ILE 24 CO 0.10 -0.12 1.89 0.00 0.24 0.00 0.00 174.94 177.05 1mfs h ALA 25 N 1.44 1.35 0.00 2.27 0.00 -1.87 0.44 119.26 122.88 1mfs h ALA 25 Ca -0.43 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1mfs h ALA 25 Cb 1.25 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1mfs h ALA 25 CO 0.63 0.50 0.00 -0.22 0.00 0.00 0.00 179.25 180.16 1mfs h LYS 26 N 1.22 0.00 -0.32 0.00 3.64 -1.96 0.57 116.57 119.73 1mfs h LYS 26 Ca 0.41 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.79 1mfs h LYS 26 Cb 0.08 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1mfs h LYS 26 CO -0.15 0.00 0.00 0.09 -2.27 0.00 0.00 179.45 177.12 1mfs n ASN 27 N -2.86 3.74 -4.63 4.20 5.03 0.13 -4.95 115.26 115.93 1mfs n ASN 27 Ca -0.01 -2.70 -0.43 0.00 0.87 0.00 0.00 54.58 52.31 1mfs n ASN 27 Cb 0.18 -0.47 -0.02 0.00 -1.02 0.00 0.00 39.78 38.45 1mfs n ASN 27 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1mfs n ARG 29 N 7.16 1.16 -1.46 0.00 1.85 -1.26 -4.87 116.66 119.24 1mfs n ARG 29 Ca 0.13 -0.24 -0.40 0.00 -1.00 0.00 0.00 57.85 56.34 1mfs n ARG 29 Cb 0.47 -1.40 -0.15 0.00 -1.05 0.00 0.00 32.46 30.33 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 -0.63 0.29 -1.52 2.89 0.00 -1.26 -4.70 120.51 115.58 1mfs n ALA 30 Ca 0.19 -0.28 -0.42 0.00 0.00 0.00 0.00 53.44 52.93 1mfs n ALA 30 Cb 0.14 -2.21 -0.03 0.00 0.00 0.00 0.00 19.45 17.35 1mfs n ALA 30 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1mfs n PRO 31 N 8.28 2.17 -2.32 0.00 -0.04 -1.26 -4.80 135.00 137.02 1mfs n PRO 31 Ca 0.64 -2.27 -0.42 0.00 -0.04 0.00 0.00 63.50 61.41 1mfs n PRO 31 Cb 0.03 -3.15 0.00 0.00 -0.04 0.00 0.00 33.50 30.34 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 6.76 3.94 -0.32 0.54 1.85 -1.26 -4.79 116.66 123.38 1mfs n ARG 32 Ca 0.50 -3.62 0.16 0.00 -1.00 0.00 0.00 57.85 53.89 1mfs n ARG 32 Cb 0.40 -2.82 0.32 0.00 -1.05 0.00 0.00 32.46 29.31 1mfs n ARG 32 CO 0.00 0.00 0.00 1.57 -0.01 0.00 0.00 177.63 179.19 1mfs h LYS 33 N 5.44 0.06 -6.08 2.89 2.10 -2.00 -3.40 116.57 115.58 1mfs h LYS 33 Ca 0.44 -0.00 -0.74 0.00 -2.00 0.00 0.00 60.65 58.35 1mfs h LYS 33 Cb 0.55 -0.01 0.06 0.00 -0.90 0.00 0.00 32.23 31.93 1mfs h LYS 33 CO 1.57 0.04 0.11 0.36 -2.00 0.00 0.00 179.45 179.52 1mfs n LYS 34 N -5.40 0.34 0.00 0.07 2.85 -1.26 -4.72 118.16 110.04 1mfs n LYS 34 Ca 0.24 0.12 0.00 0.00 -1.05 0.00 0.00 58.31 57.62 1mfs n LYS 34 Cb 0.79 -1.60 0.00 0.00 -0.65 0.00 0.00 35.03 33.56 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 1.80 1.03 3.61 2.58 0.00 -1.26 -4.84 105.19 108.11 1mfs n GLY 35 Ca 0.19 -2.14 -0.42 0.00 0.00 0.00 0.00 46.02 43.64 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 6.64 0.80 -0.11 0.00 -0.00 -1.26 -0.07 117.44 123.44 1mfs n TRP 37 Ca 0.07 -0.33 -0.19 0.00 -0.00 0.00 0.00 57.50 57.06 1mfs n TRP 37 Cb 0.48 -0.14 -0.09 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 0.51 -0.03 5.87 4.81 -1.26 -4.67 118.16 123.93 1mfs n LYS 38 Ca 0.14 0.16 -0.00 0.00 -0.87 0.00 0.00 58.31 57.74 1mfs n LYS 38 Cb 0.52 -1.38 -0.10 0.00 0.02 0.00 0.00 35.03 34.10 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 0.83 3.64 0.00 0.00 0.89 -5.03 105.19 107.54 1mfs n GLY 40 Ca -0.12 -0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.67 4.08 -1.51 1.61 -0.14 -1.14 -4.80 119.74 117.17 1mfs s LYS 41 Ca 0.00 1.13 -0.10 0.00 -1.36 0.00 0.00 55.97 55.64 1mfs s LYS 41 Cb 0.00 -3.74 -0.00 0.00 -1.68 0.00 0.00 37.83 32.41 1mfs s LYS 41 CO 0.00 -0.88 2.60 -0.85 -0.76 0.00 0.00 175.35 175.45 1mfs n GLU 42 N 6.84 3.58 0.00 1.68 0.28 -1.26 -0.42 120.64 131.34 1mfs n GLU 42 Ca 0.12 -2.59 0.00 0.00 -0.16 0.00 0.00 57.16 54.53 1mfs n GLU 42 Cb 0.47 -2.92 0.00 0.00 1.43 0.00 0.00 31.44 30.41 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 3.41 -1.90 0.54 -1.84 0.00 -1.26 -4.95 105.19 99.19 1mfs n GLY 43 Ca 0.66 0.51 -0.04 0.00 0.00 0.00 0.00 46.02 47.15 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 -2.22 -3.91 -3.49 1.61 1.44 -1.26 -4.86 115.22 102.54 1mfs n HIS 44 Ca 0.00 -0.17 -0.03 0.00 -2.01 0.00 0.00 57.72 55.50 1mfs n HIS 44 Cb 0.00 -0.14 0.01 0.00 0.12 0.00 0.00 29.99 29.98 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 -1.38 0.44 -0.33 -1.40 6.02 -1.26 -2.77 117.38 116.71 1mfs n GLN 45 Ca 0.02 -0.91 0.12 0.00 -0.01 0.00 0.00 57.00 56.22 1mfs n GLN 45 Cb 0.08 1.17 0.30 0.00 1.02 0.00 0.00 30.24 32.81 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 0.61 -1.97 -1.09 -0.00 -1.93 1.54 114.93 112.08 1mfs h MET 46 Ca -0.15 -0.04 0.57 0.00 -0.00 0.00 0.00 59.70 60.09 1mfs h MET 46 Cb 0.58 -0.14 -0.08 0.00 -0.00 0.00 0.00 31.60 31.96 1mfs h MET 46 CO 0.19 0.40 1.42 -0.22 -0.00 0.00 0.00 176.91 178.70 1mfs h LYS 47 N 0.63 0.00 -0.09 -0.10 1.63 -2.03 -1.19 116.57 115.41 1mfs h LYS 47 Ca 0.55 -0.00 -0.19 0.00 -0.85 0.00 0.00 60.65 60.16 1mfs h LYS 47 Cb 0.90 -0.00 -0.20 0.00 -0.60 0.00 0.00 32.23 32.33 1mfs h LYS 47 CO -0.42 0.00 -0.44 -3.47 -3.45 0.00 0.00 179.45 171.67 1mfs n ASP 48 N -3.94 -0.90 -4.57 4.20 -0.08 0.76 -5.08 116.55 106.94 1mfs n ASP 48 Ca 0.44 -2.20 -0.41 0.00 -1.51 0.00 0.00 54.79 51.11 1mfs n ASP 48 Cb 2.02 0.48 -0.03 0.00 2.34 0.00 0.00 41.12 45.93 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 6.83 0.01 -3.51 0.00 -1.04 -1.26 -4.62 114.28 110.69 1mfs n THR 50 Ca 0.12 -0.01 -0.30 0.00 -2.04 0.00 0.00 64.05 61.82 1mfs n THR 50 Cb 0.50 -0.28 -0.04 0.00 -1.82 0.00 0.00 70.33 68.69 1mfs n THR 50 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1mfs s GLU 51 N -1.99 3.66 0.00 -2.82 2.56 -1.26 -4.68 118.70 114.16 1mfs s GLU 51 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.97 55.26 1mfs s GLU 51 Cb 0.13 -2.73 0.00 0.00 2.00 0.00 0.00 34.13 33.53 1mfs s GLU 51 CO 0.22 0.34 0.00 0.54 -0.56 0.00 0.00 175.26 175.80 1mfs n ARG 52 N -0.38 0.00 0.00 4.30 5.12 -1.26 -4.79 116.66 119.65 1mfs n ARG 52 Ca -0.02 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.90 1mfs n ARG 52 Cb 0.53 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.83 1mfs n ARG 52 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1mfs n GLN 53 N 0.00 0.00 -1.88 5.56 3.00 -1.26 -4.82 117.38 117.98 1mfs n GLN 53 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.57 1mfs n GLN 53 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 30.24 30.21 1mfs n GLN 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1mfs s ALA 54 N -0.05 3.72 0.00 -1.58 0.00 -1.26 -5.20 121.76 117.39 1mfs s ALA 54 Ca 0.00 1.29 0.00 0.00 0.00 0.00 0.00 51.96 53.25 1mfs s ALA 54 Cb 0.00 -3.70 0.00 0.00 0.00 0.00 0.00 23.12 19.42 1mfs s ALA 54 CO 0.00 -1.08 0.00 0.09 0.00 0.00 0.00 175.76 174.77