#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 1.57 -0.57 0.03 -2.07 -1.26 -4.90 119.66 112.47 1mfs s GLN 2 Ca 0.00 -2.18 -0.26 0.00 -1.82 0.00 0.00 55.36 51.10 1mfs s GLN 2 Cb 0.00 -2.87 0.04 0.00 -1.09 0.00 0.00 33.01 29.09 1mfs s GLN 2 CO 0.00 -1.09 0.65 0.36 -1.32 0.00 0.00 175.29 173.89 1mfs n LYS 3 N 3.57 -1.83 0.00 9.60 2.85 -1.26 -4.12 118.16 126.97 1mfs n LYS 3 Ca 0.05 1.27 0.00 0.00 -1.05 0.00 0.00 58.31 58.58 1mfs n LYS 3 Cb 0.35 -2.36 0.00 0.00 -0.65 0.00 0.00 35.03 32.37 1mfs n LYS 3 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1mfs n GLY 4 N -0.65 0.55 3.49 2.58 0.00 -1.26 -4.46 105.19 105.43 1mfs n GLY 4 Ca -0.14 0.51 -0.63 0.00 0.00 0.00 0.00 46.02 45.76 1mfs n GLY 4 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1mfs n ASN 5 N 2.10 1.09 0.11 1.61 5.15 -1.26 -4.84 115.26 119.23 1mfs n ASN 5 Ca 0.00 0.89 -0.05 0.00 -0.60 0.00 0.00 54.58 54.82 1mfs n ASN 5 Cb 0.00 -0.92 -0.02 0.00 -0.53 0.00 0.00 39.78 38.30 1mfs n ASN 5 CO 0.00 0.00 0.00 -0.26 1.40 0.00 0.00 177.26 178.40 1mfs h PHE 6 N 7.46 -0.29 0.00 1.20 0.04 -1.78 -3.44 116.94 120.13 1mfs h PHE 6 Ca -0.26 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.50 1mfs h PHE 6 Cb 1.39 0.10 0.00 0.00 2.20 0.00 0.00 35.95 39.64 1mfs h PHE 6 CO 0.84 -0.18 0.00 2.89 -0.60 0.00 0.00 178.31 181.25 1mfs n ARG 7 N -3.50 0.00 0.10 1.51 1.85 -1.26 -4.95 116.66 110.41 1mfs n ARG 7 Ca -0.04 0.00 -0.12 0.00 -1.00 0.00 0.00 57.85 56.69 1mfs n ARG 7 Cb 0.12 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.48 1mfs n ARG 7 CO 0.00 0.00 0.00 -2.95 -0.01 0.00 0.00 177.63 174.67 1mfs h ASN 8 N 0.00 -0.47 -4.63 2.89 7.08 -2.01 -3.48 115.58 114.96 1mfs h ASN 8 Ca 0.00 0.06 0.00 0.00 -3.08 0.00 0.00 56.30 53.28 1mfs h ASN 8 Cb 0.00 0.18 0.00 0.00 -2.08 0.00 0.00 38.32 36.42 1mfs h ASN 8 CO 0.00 -0.25 -0.46 0.00 -2.08 0.00 0.00 177.43 174.65 1mfs n GLN 9 N -5.30 -1.95 -3.60 4.14 1.13 -1.26 -5.08 117.38 105.46 1mfs n GLN 9 Ca -0.07 1.82 -0.03 0.00 -1.94 0.00 0.00 57.00 56.78 1mfs n GLN 9 Cb 0.21 -4.47 -0.02 0.00 0.11 0.00 0.00 30.24 26.08 1mfs n GLN 9 CO 0.00 0.00 0.00 -0.98 -1.44 0.00 0.00 177.06 174.64 1mfs s ARG 10 N -1.92 0.36 -0.22 -1.09 1.70 -1.26 -5.06 118.95 111.45 1mfs s ARG 10 Ca 0.14 -0.16 -0.17 0.00 -0.47 0.00 0.00 55.73 55.07 1mfs s ARG 10 Cb -0.04 0.15 -0.18 0.00 -0.57 0.00 0.00 34.95 34.31 1mfs s ARG 10 CO 0.56 -0.16 0.05 1.63 -1.08 0.00 0.00 175.30 176.30 1mfs n LYS 11 N -0.22 0.60 -0.24 3.89 5.02 -1.26 -4.41 118.16 121.53 1mfs n LYS 11 Ca -0.03 0.43 -0.08 0.00 -2.02 0.00 0.00 58.31 56.62 1mfs n LYS 11 Cb 0.60 -1.66 -0.03 0.00 -0.02 0.00 0.00 35.03 33.92 1mfs n LYS 11 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1mfs h THR 12 N -0.84 0.07 -1.30 -0.18 2.02 -1.98 -3.43 112.91 107.28 1mfs h THR 12 Ca -0.47 0.00 0.12 0.00 0.77 0.00 0.00 66.41 66.83 1mfs h THR 12 Cb 1.50 0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.95 1mfs h THR 12 CO -0.24 0.00 -0.16 1.33 0.37 0.00 0.00 175.52 176.83 1mfs n VAL 13 N -5.40 0.00 -3.98 3.16 0.24 -1.26 0.41 118.33 111.50 1mfs n VAL 13 Ca 0.03 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.19 1mfs n VAL 13 Cb 0.35 -0.15 -0.14 0.00 -1.47 0.00 0.00 33.84 32.43 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 -1.01 0.17 -0.34 7.34 -2.85 -1.15 -1.38 119.74 120.52 1mfs s LYS 14 Ca 0.00 -0.06 -0.22 0.00 -1.00 0.00 0.00 55.97 54.69 1mfs s LYS 14 Cb 0.00 -0.18 0.00 0.00 -2.06 0.00 0.00 37.83 35.59 1mfs s LYS 14 CO 0.00 0.03 0.74 0.00 0.10 0.00 0.00 175.35 176.22 1mfs n PHE 16 N 6.23 0.35 -0.10 0.00 7.35 -1.26 0.22 117.46 130.25 1mfs n PHE 16 Ca 0.02 -0.15 -0.22 0.00 -0.76 0.00 0.00 57.45 56.34 1mfs n PHE 16 Cb 0.48 -0.06 -0.07 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 0.10 1.50 -0.10 -2.13 5.15 -1.26 -4.73 115.26 113.79 1mfs n ASN 17 Ca 0.07 0.26 -0.11 0.00 -0.60 0.00 0.00 54.58 54.20 1mfs n ASN 17 Cb 0.26 -0.62 -0.15 0.00 -0.53 0.00 0.00 39.78 38.74 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 1.89 0.56 3.79 0.00 0.00 0.13 -5.07 105.19 106.50 1mfs n GLY 19 Ca -0.33 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.93 4.45 0.30 1.61 2.20 -1.23 -4.68 119.74 121.46 1mfs s LYS 20 Ca 0.00 1.14 -0.11 0.00 -0.36 0.00 0.00 55.97 56.63 1mfs s LYS 20 Cb 0.00 -2.84 -0.08 0.00 -1.51 0.00 0.00 37.83 33.41 1mfs s LYS 20 CO 0.00 0.33 0.66 -1.83 -0.36 0.00 0.00 175.35 174.15 1mfs s GLU 21 N -2.01 3.86 0.00 4.03 -1.05 -1.26 -0.27 118.70 122.00 1mfs s GLU 21 Ca 0.47 0.44 0.00 0.00 -0.15 0.00 0.00 54.97 55.73 1mfs s GLU 21 Cb -0.18 -2.52 0.00 0.00 -0.44 0.00 0.00 34.13 30.99 1mfs s GLU 21 CO 0.23 0.19 0.00 0.41 0.95 0.00 0.00 175.26 177.04 1mfs n GLY 22 N -0.47 0.74 3.22 -3.83 0.00 0.17 -4.90 105.19 100.11 1mfs n GLY 22 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.15 1.27 0.35 1.61 -3.43 -0.91 -4.58 115.29 108.44 1mfs s HIS 23 Ca 0.00 -1.40 0.08 0.00 -0.80 0.00 0.00 55.06 52.94 1mfs s HIS 23 Cb 0.00 -0.61 -0.03 0.00 -1.43 0.00 0.00 32.58 30.51 1mfs s HIS 23 CO 0.00 -0.64 0.24 0.96 -2.00 0.00 0.00 174.74 173.30 1mfs s ILE 24 N -4.03 3.20 0.24 -5.38 -4.36 -1.26 0.18 121.20 109.80 1mfs s ILE 24 Ca 0.39 -1.50 -0.07 0.00 -0.26 0.00 0.00 60.65 59.21 1mfs s ILE 24 Cb 0.06 -3.08 0.24 0.00 1.25 0.00 0.00 42.46 40.94 1mfs s ILE 24 CO 0.14 -0.15 1.92 0.00 0.24 0.00 0.00 174.94 177.09 1mfs h ALA 25 N 1.35 1.23 0.00 2.27 0.00 -1.86 0.22 119.26 122.48 1mfs h ALA 25 Ca -0.44 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1mfs h ALA 25 Cb 1.25 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1mfs h ALA 25 CO 0.61 0.63 0.00 -0.22 0.00 0.00 0.00 179.25 180.26 1mfs h LYS 26 N 1.32 0.00 -0.31 0.00 3.64 -1.95 -0.45 116.57 118.83 1mfs h LYS 26 Ca 0.36 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.62 1mfs h LYS 26 Cb -0.15 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 31.60 1mfs h LYS 26 CO -0.08 0.00 -0.05 -1.71 -2.27 0.00 0.00 179.45 175.35 1mfs n ASN 27 N -2.92 2.89 -4.60 4.20 2.85 0.64 -4.97 115.26 113.34 1mfs n ASN 27 Ca -0.01 -3.51 -0.42 0.00 -0.11 0.00 0.00 54.58 50.53 1mfs n ASN 27 Cb 0.19 -0.60 -0.04 0.00 1.24 0.00 0.00 39.78 40.57 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 6.62 0.86 -2.06 0.00 0.63 -1.26 -4.82 116.66 116.63 1mfs n ARG 29 Ca 0.06 0.00 -0.33 0.00 -0.92 0.00 0.00 57.85 56.66 1mfs n ARG 29 Cb 0.48 -1.48 0.01 0.00 0.45 0.00 0.00 32.46 31.93 1mfs n ARG 29 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1mfs s ALA 30 N -2.00 2.68 1.12 5.13 0.00 -1.26 -5.04 121.76 122.39 1mfs s ALA 30 Ca 0.40 0.52 -0.19 0.00 0.00 0.00 0.00 51.96 52.68 1mfs s ALA 30 Cb 0.18 -3.27 0.27 0.00 0.00 0.00 0.00 23.12 20.30 1mfs s ALA 30 CO 0.31 -0.87 1.24 -1.25 0.00 0.00 0.00 175.76 175.19 1mfs s PRO 31 N -3.88 -0.63 0.32 0.00 0.04 -1.26 -5.02 135.00 124.58 1mfs s PRO 31 Ca 0.66 -0.38 0.00 0.00 0.04 0.00 0.00 61.00 61.32 1mfs s PRO 31 Cb -0.18 -1.69 0.00 0.00 0.04 0.00 0.00 34.50 32.66 1mfs s PRO 31 CO 0.35 -3.27 0.00 -2.13 0.04 0.00 0.00 177.00 171.99 1mfs n ARG 32 N -4.38 0.00 -0.73 4.56 0.63 -1.26 -5.14 116.66 110.35 1mfs n ARG 32 Ca 0.16 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 56.81 1mfs n ARG 32 Cb 0.59 0.00 0.24 0.00 0.45 0.00 0.00 32.46 33.75 1mfs n ARG 32 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1mfs s LYS 33 N -2.00 -0.98 -0.24 -0.14 1.02 -1.26 -4.51 119.74 111.63 1mfs s LYS 33 Ca 0.00 0.54 -0.03 0.00 0.02 0.00 0.00 55.97 56.50 1mfs s LYS 33 Cb 0.00 -1.57 0.00 0.00 -0.52 0.00 0.00 37.83 35.74 1mfs s LYS 33 CO 0.00 -3.68 0.08 1.63 -0.92 0.00 0.00 175.35 172.46 1mfs n LYS 34 N -4.85 -2.47 0.00 1.68 4.01 -1.26 -4.97 118.16 110.31 1mfs n LYS 34 Ca 0.05 2.13 0.00 0.00 -0.51 0.00 0.00 58.31 59.99 1mfs n LYS 34 Cb 0.56 -4.08 0.00 0.00 -0.51 0.00 0.00 35.03 31.00 1mfs n LYS 34 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1mfs n GLY 35 N 0.74 1.26 3.68 0.72 0.00 -1.24 -4.88 105.19 105.47 1mfs n GLY 35 Ca 0.01 0.00 -0.62 0.00 0.00 0.00 0.00 46.02 45.41 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 3.81 0.77 -0.10 0.00 8.01 -1.26 0.21 117.44 128.88 1mfs n TRP 37 Ca 0.26 -0.32 -0.19 0.00 -1.31 0.00 0.00 57.50 55.95 1mfs n TRP 37 Cb 0.05 -0.12 -0.08 0.00 -2.01 0.00 0.00 31.31 29.14 1mfs n TRP 37 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.69 177.85 1mfs n LYS 38 N 0.56 0.45 -0.02 -0.99 0.00 -1.26 -4.69 118.16 112.21 1mfs n LYS 38 Ca 0.14 0.16 0.04 0.00 0.00 0.00 0.00 58.31 58.66 1mfs n LYS 38 Cb 0.50 -1.29 -0.10 0.00 0.00 0.00 0.00 35.03 34.14 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 1.87 0.75 3.62 0.00 0.00 0.13 -5.01 105.19 106.56 1mfs n GLY 40 Ca -0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.54 3.55 -0.93 1.61 2.20 -1.18 -4.45 119.74 120.00 1mfs s LYS 41 Ca 0.00 1.73 -0.07 0.00 -0.36 0.00 0.00 55.97 57.27 1mfs s LYS 41 Cb 0.00 -4.16 -0.06 0.00 -1.51 0.00 0.00 37.83 32.10 1mfs s LYS 41 CO 0.00 -1.60 2.12 -0.85 -0.36 0.00 0.00 175.35 174.66 1mfs n GLU 42 N 8.12 2.10 0.00 4.03 0.28 -1.26 0.22 120.64 134.13 1mfs n GLU 42 Ca 0.22 -1.51 0.00 0.00 -0.16 0.00 0.00 57.16 55.71 1mfs n GLU 42 Cb 0.45 -2.50 0.00 0.00 1.43 0.00 0.00 31.44 30.83 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 3.81 -1.49 3.91 -1.84 0.00 -1.26 -4.69 105.19 103.63 1mfs n GLY 43 Ca 0.46 0.40 -0.28 0.00 0.00 0.00 0.00 46.02 46.60 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 -0.35 2.82 0.44 1.61 -3.43 -1.24 -4.71 115.29 110.43 1mfs s HIS 44 Ca 0.00 0.63 0.06 0.00 -0.80 0.00 0.00 55.06 54.95 1mfs s HIS 44 Cb 0.00 -3.47 -0.05 0.00 -1.43 0.00 0.00 32.58 27.63 1mfs s HIS 44 CO 0.00 -1.76 0.06 -0.65 -2.00 0.00 0.00 174.74 170.39 1mfs s GLN 45 N -5.52 2.08 0.25 -0.38 -0.21 -1.26 0.18 119.66 114.80 1mfs s GLN 45 Ca 0.62 -2.13 -0.06 0.00 0.02 0.00 0.00 55.36 53.81 1mfs s GLN 45 Cb -0.10 -1.69 0.26 0.00 1.00 0.00 0.00 33.01 32.48 1mfs s GLN 45 CO 0.48 -0.16 1.92 1.98 -2.12 0.00 0.00 175.29 177.39 1mfs h MET 46 N 1.56 1.26 0.00 2.91 1.85 -1.92 1.43 114.93 122.02 1mfs h MET 46 Ca -0.43 -0.08 0.00 0.00 -0.61 0.00 0.00 59.70 58.58 1mfs h MET 46 Cb 1.26 -0.28 0.00 0.00 0.43 0.00 0.00 31.60 33.01 1mfs h MET 46 CO 0.76 0.84 0.00 -0.22 -0.40 0.00 0.00 176.91 177.89 1mfs h LYS 47 N 1.30 0.00 -0.04 0.39 3.64 -2.03 -1.21 116.57 118.62 1mfs h LYS 47 Ca 0.37 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.75 1mfs h LYS 47 Cb -0.11 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 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 -2.94 2.35 -4.57 4.20 2.03 0.29 -4.97 116.55 112.95 1mfs n ASP 48 Ca -0.00 -2.58 -0.43 0.00 0.52 0.00 0.00 54.79 52.30 1mfs n ASP 48 Cb 0.21 -0.25 -0.03 0.00 -0.72 0.00 0.00 41.12 40.33 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 6.53 0.34 0.38 0.00 -1.04 -1.26 -4.20 114.28 115.02 1mfs n THR 50 Ca 0.07 -0.38 -0.15 0.00 -2.04 0.00 0.00 64.05 61.55 1mfs n THR 50 Cb 0.48 0.25 -0.07 0.00 -1.82 0.00 0.00 70.33 69.17 1mfs n THR 50 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 1mfs h GLU 51 N 1.91 -0.95 -3.21 -2.82 4.22 -1.96 -3.38 114.58 108.39 1mfs h GLU 51 Ca 0.00 0.06 -0.63 0.00 0.08 0.00 0.00 59.36 58.88 1mfs h GLU 51 Cb 0.43 0.22 -0.41 0.00 0.50 0.00 0.00 28.75 29.48 1mfs h GLU 51 CO 0.00 -0.63 -0.61 1.03 -2.18 0.00 0.00 179.01 176.61 1mfs s ARG 52 N -4.83 2.16 -0.30 1.92 0.52 -1.26 -5.01 118.95 112.15 1mfs s ARG 52 Ca -0.14 -2.93 -0.17 0.00 -0.52 0.00 0.00 55.73 51.96 1mfs s ARG 52 Cb 0.01 -3.29 0.20 0.00 0.52 0.00 0.00 34.95 32.39 1mfs s ARG 52 CO 0.43 -1.20 1.23 -1.14 0.02 0.00 0.00 175.30 174.64 1mfs s GLN 53 N -0.81 0.09 0.97 3.54 2.00 -1.26 -5.06 119.66 119.13 1mfs s GLN 53 Ca 0.21 0.18 -0.13 0.00 -2.00 0.00 0.00 55.36 53.63 1mfs s GLN 53 Cb -0.15 0.06 0.17 0.00 0.80 0.00 0.00 33.01 33.89 1mfs s GLN 53 CO -0.08 -0.02 1.12 0.00 -0.50 0.00 0.00 175.29 175.80 1mfs s ALA 54 N 1.55 1.33 -2.00 1.58 0.00 -1.26 -4.93 121.76 118.03 1mfs s ALA 54 Ca -0.05 -0.49 0.29 0.00 0.00 0.00 0.00 51.96 51.71 1mfs s ALA 54 Cb -0.02 -3.06 1.70 0.00 0.00 0.00 0.00 23.12 21.75 1mfs s ALA 54 CO -0.13 -2.62 2.04 -1.71 0.00 0.00 0.00 175.76 173.34