#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 0.00 3.17 6.02 -1.26 -5.01 117.38 120.30 1mfs n GLN 2 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1mfs n GLN 2 Cb 0.00 -0.48 0.00 0.00 1.02 0.00 0.00 30.24 30.78 1mfs n GLN 2 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1mfs n LYS 3 N -3.48 0.00 -0.85 -1.09 0.00 -1.26 -4.89 118.16 106.59 1mfs n LYS 3 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 58.31 57.96 1mfs n LYS 3 Cb 0.02 0.00 0.10 0.00 0.00 0.00 0.00 35.03 35.15 1mfs n LYS 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1mfs n GLY 4 N 0.00 -2.95 2.02 3.14 0.00 -1.26 -4.93 105.19 101.21 1mfs n GLY 4 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 0.80 -0.42 -4.21 1.61 6.94 -1.26 -5.13 115.26 113.60 1mfs n ASN 5 Ca 0.01 0.09 -0.27 0.00 -0.02 0.00 0.00 54.58 54.39 1mfs n ASN 5 Cb 0.63 0.84 -0.16 0.00 -2.36 0.00 0.00 39.78 38.73 1mfs n ASN 5 CO 0.00 0.00 0.00 -0.36 -1.03 0.00 0.00 177.26 175.87 1mfs s PHE 6 N -2.00 1.82 -0.09 -2.53 0.40 -1.26 -5.12 117.98 109.19 1mfs s PHE 6 Ca 0.00 -0.35 -0.33 0.00 -0.60 0.00 0.00 56.93 55.65 1mfs s PHE 6 Cb 0.00 -1.17 0.14 0.00 0.51 0.00 0.00 43.02 42.50 1mfs s PHE 6 CO 0.00 -0.04 1.43 -0.98 0.70 0.00 0.00 175.22 176.33 1mfs s ARG 7 N -0.45 0.04 0.25 0.44 1.70 -1.26 -5.01 118.95 114.66 1mfs s ARG 7 Ca 0.07 -0.02 -0.11 0.00 -0.47 0.00 0.00 55.73 55.19 1mfs s ARG 7 Cb -0.08 0.01 0.36 0.00 -0.57 0.00 0.00 34.95 34.68 1mfs s ARG 7 CO -0.01 -0.02 1.57 -2.95 -1.08 0.00 0.00 175.30 172.82 1mfs h ASN 8 N 2.00 -0.98 -4.11 -2.89 7.08 -2.01 -3.46 115.58 111.21 1mfs h ASN 8 Ca -0.33 0.28 -0.10 0.00 -3.08 0.00 0.00 56.30 53.07 1mfs h ASN 8 Cb 1.19 0.60 0.08 0.00 -2.08 0.00 0.00 38.32 38.12 1mfs h ASN 8 CO 0.30 -0.30 -0.34 1.67 -2.08 0.00 0.00 177.43 176.67 1mfs n GLN 9 N -5.56 -0.97 0.00 4.14 7.27 -1.26 -5.00 117.38 116.00 1mfs n GLN 9 Ca 0.13 0.46 0.00 0.00 0.07 0.00 0.00 57.00 57.66 1mfs n GLN 9 Cb 0.45 -3.46 0.00 0.00 2.41 0.00 0.00 30.24 29.63 1mfs n GLN 9 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1mfs n ARG 10 N -2.17 0.00 -0.00 3.69 1.74 -1.26 -4.64 116.66 114.01 1mfs n ARG 10 Ca -0.03 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 57.11 1mfs n ARG 10 Cb 0.55 -0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.90 1mfs n ARG 10 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1mfs n LYS 11 N -2.52 1.55 -0.33 5.56 4.76 -1.26 -3.03 118.16 122.89 1mfs n LYS 11 Ca 0.00 -0.06 0.11 0.00 -2.87 0.00 0.00 58.31 55.49 1mfs n LYS 11 Cb 0.00 -1.18 0.23 0.00 -1.84 0.00 0.00 35.03 32.24 1mfs n LYS 11 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 1mfs n THR 12 N -1.64 -0.39 -3.88 -0.18 5.66 -1.26 -4.57 114.28 108.01 1mfs n THR 12 Ca -0.00 2.10 -0.09 0.00 -3.05 0.00 0.00 64.05 63.00 1mfs n THR 12 Cb 0.25 -3.01 -0.07 0.00 -1.55 0.00 0.00 70.33 65.95 1mfs n THR 12 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 1mfs s VAL 13 N -6.01 0.13 0.02 1.08 -7.23 -1.26 -5.09 120.40 102.04 1mfs s VAL 13 Ca -0.13 -1.23 0.02 0.00 -1.81 0.00 0.00 61.98 58.84 1mfs s VAL 13 Cb 0.27 -1.42 -0.01 0.00 0.56 0.00 0.00 36.38 35.77 1mfs s VAL 13 CO 0.73 -0.61 -0.08 -1.59 -0.31 0.00 0.00 175.10 173.25 1mfs s LYS 14 N -3.88 0.56 -0.27 4.82 -2.85 -1.20 -1.00 119.74 115.92 1mfs s LYS 14 Ca 0.07 -0.48 -0.27 0.00 -1.00 0.00 0.00 55.97 54.29 1mfs s LYS 14 Cb 0.05 -0.47 0.01 0.00 -2.06 0.00 0.00 37.83 35.35 1mfs s LYS 14 CO -0.09 0.12 0.94 0.00 0.10 0.00 0.00 175.35 176.42 1mfs n PHE 16 N 6.35 0.34 -0.11 0.00 7.35 -1.26 0.21 117.46 130.34 1mfs n PHE 16 Ca 0.09 -0.17 -0.21 0.00 -0.76 0.00 0.00 57.45 56.40 1mfs n PHE 16 Cb 0.47 0.00 -0.12 0.00 0.35 0.00 0.00 39.48 40.18 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 0.37 2.00 -0.06 -2.13 5.15 -1.26 -4.66 115.26 114.66 1mfs n ASN 17 Ca 0.13 0.03 -0.08 0.00 -0.60 0.00 0.00 54.58 54.07 1mfs n ASN 17 Cb 0.29 -0.59 -0.08 0.00 -0.53 0.00 0.00 39.78 38.87 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 2.51 0.97 3.74 0.00 0.00 0.13 -5.07 105.19 107.47 1mfs n GLY 19 Ca -0.22 -0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.64 4.29 0.08 1.61 1.02 -1.19 -4.79 119.74 120.12 1mfs s LYS 20 Ca 0.00 0.44 -0.30 0.00 0.02 0.00 0.00 55.97 56.13 1mfs s LYS 20 Cb 0.00 -3.41 -0.05 0.00 -0.52 0.00 0.00 37.83 33.85 1mfs s LYS 20 CO 0.00 0.23 0.98 -1.83 -0.92 0.00 0.00 175.35 173.81 1mfs s GLU 21 N 0.38 4.64 0.00 1.68 4.04 -1.26 -0.58 118.70 127.61 1mfs s GLU 21 Ca 0.25 1.46 0.00 0.00 0.04 0.00 0.00 54.97 56.73 1mfs s GLU 21 Cb -0.15 -3.40 0.00 0.00 0.02 0.00 0.00 34.13 30.60 1mfs s GLU 21 CO 0.11 0.11 0.00 0.41 -1.84 0.00 0.00 175.26 174.05 1mfs n GLY 22 N 2.47 4.25 3.70 -3.83 0.00 -0.17 -4.84 105.19 106.76 1mfs n GLY 22 Ca 0.04 -0.71 -0.31 0.00 0.00 0.00 0.00 46.02 45.04 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 2.02 0.34 1.61 -3.43 -1.26 -4.67 115.29 109.90 1mfs s HIS 23 Ca 0.00 -0.91 0.08 0.00 -0.80 0.00 0.00 55.06 53.43 1mfs s HIS 23 Cb 0.00 -1.61 -0.04 0.00 -1.43 0.00 0.00 32.58 29.50 1mfs s HIS 23 CO 0.00 0.24 0.15 0.96 -2.00 0.00 0.00 174.74 174.09 1mfs s ILE 24 N -2.88 3.10 0.23 -5.38 -4.36 -1.26 0.17 121.20 110.83 1mfs s ILE 24 Ca 0.15 -1.67 -0.07 0.00 -0.26 0.00 0.00 60.65 58.80 1mfs s ILE 24 Cb 0.04 -3.00 0.19 0.00 1.25 0.00 0.00 42.46 40.95 1mfs s ILE 24 CO 0.08 -0.19 1.85 0.00 0.24 0.00 0.00 174.94 176.92 1mfs h ALA 25 N 1.54 1.10 0.00 2.27 0.00 -1.87 0.42 119.26 122.70 1mfs h ALA 25 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1mfs h ALA 25 Cb 1.25 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1mfs h ALA 25 CO 0.63 0.27 0.00 -0.22 0.00 0.00 0.00 179.25 179.93 1mfs h LYS 26 N 0.95 0.00 -0.26 0.00 1.63 -1.96 0.16 116.57 117.09 1mfs h LYS 26 Ca 0.34 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 60.10 1mfs h LYS 26 Cb 0.11 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.71 1mfs h LYS 26 CO -0.15 0.00 -0.01 0.09 -3.45 0.00 0.00 179.45 175.93 1mfs n ASN 27 N -2.89 3.48 -4.61 4.20 4.13 0.13 -4.96 115.26 114.74 1mfs n ASN 27 Ca -0.02 -3.18 -0.43 0.00 1.68 0.00 0.00 54.58 52.64 1mfs n ASN 27 Cb 0.13 -0.56 -0.03 0.00 -1.54 0.00 0.00 39.78 37.78 1mfs n ASN 27 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1mfs n ARG 29 N 7.04 1.04 -3.69 0.00 1.85 -1.26 -4.13 116.66 117.51 1mfs n ARG 29 Ca 0.10 -0.07 -0.27 0.00 -1.00 0.00 0.00 57.85 56.61 1mfs n ARG 29 Cb 0.48 -1.30 -0.11 0.00 -1.05 0.00 0.00 32.46 30.48 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 -0.73 3.51 -2.32 2.89 0.00 -1.26 -5.03 120.51 117.57 1mfs n ALA 30 Ca 0.14 -4.42 -0.35 0.00 0.00 0.00 0.00 53.44 48.82 1mfs n ALA 30 Cb 0.08 -0.96 -0.04 0.00 0.00 0.00 0.00 19.45 18.54 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 -1.60 3.17 -0.34 0.00 0.04 -1.26 -4.74 135.00 130.27 1mfs s PRO 31 Ca 0.30 -1.13 0.01 0.00 0.04 0.00 0.00 61.00 60.22 1mfs s PRO 31 Cb 0.03 -5.30 0.19 0.00 0.04 0.00 0.00 34.50 29.45 1mfs s PRO 31 CO -0.13 -2.93 0.77 -0.98 0.04 0.00 0.00 177.00 173.77 1mfs s ARG 32 N 5.66 0.51 -1.02 4.56 3.03 -1.26 -5.05 118.95 125.38 1mfs s ARG 32 Ca 0.59 0.06 -0.05 0.00 2.03 0.00 0.00 55.73 58.36 1mfs s ARG 32 Cb -0.01 0.12 0.26 0.00 -1.03 0.00 0.00 34.95 34.29 1mfs s ARG 32 CO 0.02 -0.82 1.04 1.63 -1.13 0.00 0.00 175.30 176.04 1mfs n LYS 33 N 4.64 3.32 0.00 3.89 5.02 -1.26 -4.88 118.16 128.89 1mfs n LYS 33 Ca 0.08 -4.49 0.00 0.00 -2.02 0.00 0.00 58.31 51.88 1mfs n LYS 33 Cb 0.58 -2.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.10 1mfs n LYS 33 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1mfs n LYS 34 N 2.28 0.00 -0.69 1.97 0.00 -1.26 -4.71 118.16 115.76 1mfs n LYS 34 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.55 1mfs n LYS 34 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.41 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 0.00 4.82 3.63 3.14 0.00 -1.26 -4.81 105.19 110.70 1mfs n GLY 35 Ca 0.00 -1.51 -0.43 0.00 0.00 0.00 0.00 46.02 44.08 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 9.18 0.83 -0.10 0.00 -0.00 -1.26 -0.03 117.44 126.07 1mfs n TRP 37 Ca 0.22 -0.34 -0.17 0.00 -0.00 0.00 0.00 57.50 57.21 1mfs n TRP 37 Cb 0.45 -0.15 -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 0.46 -0.03 5.87 0.00 -1.26 -4.69 118.16 119.07 1mfs n LYS 38 Ca 0.15 0.14 0.00 0.00 0.00 0.00 0.00 58.31 58.60 1mfs n LYS 38 Cb 0.54 -1.32 -0.10 0.00 0.00 0.00 0.00 35.03 34.15 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 2.00 0.68 3.84 0.00 0.00 0.96 -4.91 105.19 107.76 1mfs n GLY 40 Ca -0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.76 4.03 0.27 1.61 3.01 -1.21 -4.71 119.74 121.98 1mfs s LYS 41 Ca 0.00 0.83 0.07 0.00 -1.01 0.00 0.00 55.97 55.86 1mfs s LYS 41 Cb 0.00 -2.29 -0.03 0.00 -1.01 0.00 0.00 37.83 34.49 1mfs s LYS 41 CO 0.00 -0.01 0.21 -1.83 0.51 0.00 0.00 175.35 174.23 1mfs s GLU 42 N -3.38 2.87 0.00 1.68 -1.05 -1.26 0.17 118.70 117.73 1mfs s GLU 42 Ca 0.57 -1.11 0.00 0.00 -0.15 0.00 0.00 54.97 54.28 1mfs s GLU 42 Cb -0.10 -2.54 0.00 0.00 -0.44 0.00 0.00 34.13 31.06 1mfs s GLU 42 CO 0.21 0.35 0.00 0.41 0.95 0.00 0.00 175.26 177.17 1mfs n GLY 43 N -1.20 0.64 3.60 -3.83 0.00 -1.26 -4.92 105.19 98.22 1mfs n GLY 43 Ca -0.07 -0.57 0.01 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.00 -0.04 0.21 1.61 -3.43 -1.26 -5.09 115.29 105.28 1mfs s HIS 44 Ca 0.00 -0.03 -0.04 0.00 -0.80 0.00 0.00 55.06 54.19 1mfs s HIS 44 Cb 0.00 0.53 0.02 0.00 -1.43 0.00 0.00 32.58 31.70 1mfs s HIS 44 CO 0.00 -0.20 0.35 1.04 -2.00 0.00 0.00 174.74 173.93 1mfs n GLN 45 N -0.41 0.50 -0.33 -0.38 6.02 -1.26 -2.56 117.38 118.95 1mfs n GLN 45 Ca -0.07 -1.46 0.13 0.00 -0.01 0.00 0.00 57.00 55.59 1mfs n GLN 45 Cb 0.62 1.55 0.31 0.00 1.02 0.00 0.00 30.24 33.74 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 0.63 -1.97 -1.09 -0.00 -1.96 1.54 114.93 112.07 1mfs h MET 46 Ca -0.17 -0.04 0.58 0.00 -0.00 0.00 0.00 59.70 60.07 1mfs h MET 46 Cb 0.69 -0.14 -0.08 0.00 -0.00 0.00 0.00 31.60 32.06 1mfs h MET 46 CO 0.22 0.41 1.42 -0.22 -0.00 0.00 0.00 176.91 178.74 1mfs h LYS 47 N 0.64 0.00 -0.08 -0.10 3.64 -1.98 -1.21 116.57 117.49 1mfs h LYS 47 Ca 0.56 -0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.76 1mfs h LYS 47 Cb 0.93 -0.00 -0.20 0.00 -0.41 0.00 0.00 32.23 32.56 1mfs h LYS 47 CO -0.42 0.00 -0.43 -3.47 -2.27 0.00 0.00 179.45 172.86 1mfs n ASP 48 N -3.96 -0.90 0.00 4.20 2.03 0.74 -5.06 116.55 113.60 1mfs n ASP 48 Ca 0.45 -2.18 0.00 0.00 0.52 0.00 0.00 54.79 53.57 1mfs n ASP 48 Cb 2.02 0.47 0.00 0.00 -0.72 0.00 0.00 41.12 42.89 1mfs n ASP 48 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1mfs n THR 50 N 0.00 0.00 0.00 0.00 -2.24 -1.26 -4.90 114.28 105.88 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 -1.15 0.00 0.00 -2.10 0.00 0.00 70.33 67.08 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 -1.71 2.45 -4.38 -0.78 2.13 -1.26 -5.09 120.64 111.99 1mfs n GLU 51 Ca -0.12 0.00 -0.24 0.00 0.66 0.00 0.00 57.16 57.46 1mfs n GLU 51 Cb 0.40 0.00 -0.11 0.00 0.27 0.00 0.00 31.44 32.00 1mfs n GLU 51 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1mfs s ARG 52 N 0.00 1.40 -0.28 5.31 3.52 -1.26 -5.13 118.95 122.51 1mfs s ARG 52 Ca 0.00 -1.47 -0.21 0.00 -0.13 0.00 0.00 55.73 53.92 1mfs s ARG 52 Cb 0.00 -1.59 0.09 0.00 -1.56 0.00 0.00 34.95 31.89 1mfs s ARG 52 CO 0.00 0.33 0.79 1.14 -0.81 0.00 0.00 175.30 176.75 1mfs s GLN 53 N -2.73 0.69 0.00 5.12 -2.07 -1.26 -4.97 119.66 114.44 1mfs s GLN 53 Ca 0.18 0.97 0.00 0.00 -1.82 0.00 0.00 55.36 54.69 1mfs s GLN 53 Cb -0.07 0.26 0.00 0.00 -1.09 0.00 0.00 33.01 32.11 1mfs s GLN 53 CO 0.08 -0.11 0.00 0.00 -1.32 0.00 0.00 175.29 173.95 1mfs n ALA 54 N 3.25 0.00 -1.47 2.60 0.00 -1.26 -5.16 120.51 118.47 1mfs n ALA 54 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1mfs n ALA 54 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 1mfs n ALA 54 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59