#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fm7 s ALA 6 N 0.00 3.09 -0.30 7.82 0.00 -1.26 -3.97 121.76 127.14 3fm7 s ALA 6 Ca 0.00 0.36 0.02 0.00 0.00 0.00 0.00 51.96 52.34 3fm7 s ALA 6 Cb 0.00 -3.10 0.09 0.00 0.00 0.00 0.00 23.12 20.11 3fm7 s ALA 6 CO 0.00 0.16 0.02 0.08 0.00 0.00 0.00 175.76 176.03 3fm7 s VAL 7 N -2.12 1.78 0.21 0.00 1.01 -0.25 -5.00 120.40 116.03 3fm7 s VAL 7 Ca 0.60 -1.82 -0.31 0.00 0.00 0.00 0.00 61.98 60.45 3fm7 s VAL 7 Cb -0.10 -2.22 -0.10 0.00 0.00 0.00 0.00 36.38 33.96 3fm7 s VAL 7 CO 0.14 -0.46 1.54 -0.63 0.00 0.00 0.00 175.10 175.69 3fm7 s ILE 8 N 1.19 2.52 -0.12 2.22 -1.09 -1.26 -0.18 121.20 124.48 3fm7 s ILE 8 Ca 0.05 0.40 0.05 0.00 -2.23 0.00 0.00 60.65 58.93 3fm7 s ILE 8 Cb -0.19 -3.26 -0.11 0.00 -1.58 0.00 0.00 42.46 37.32 3fm7 s ILE 8 CO -0.11 0.05 -0.04 1.17 -1.23 0.00 0.00 174.94 174.77 3fm7 n LYS 9 N 3.18 1.32 -3.58 2.79 3.00 -0.92 -4.92 118.16 119.04 3fm7 n LYS 9 Ca 0.11 0.04 -0.01 0.00 -0.00 0.00 0.00 58.31 58.45 3fm7 n LYS 9 Cb 0.39 -1.28 -0.04 0.00 0.00 0.00 0.00 35.03 34.10 3fm7 n LYS 9 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.40 178.61 3fm7 s ASN 10 N -4.82 -0.94 -0.07 3.14 3.84 -0.83 -5.03 114.94 110.23 3fm7 s ASN 10 Ca -0.12 1.32 -0.00 0.00 0.21 0.00 0.00 52.86 54.27 3fm7 s ASN 10 Cb 0.04 2.00 0.02 0.00 -0.55 0.00 0.00 41.25 42.77 3fm7 s ASN 10 CO 0.38 -0.19 -0.03 0.00 -2.79 0.00 0.00 177.10 174.48 3fm7 s ALA 11 N 2.60 0.81 -0.13 1.71 0.00 -1.26 -1.09 121.76 124.41 3fm7 s ALA 11 Ca -0.05 -0.18 -0.04 0.00 0.00 0.00 0.00 51.96 51.68 3fm7 s ALA 11 Cb -0.09 -0.66 0.06 0.00 0.00 0.00 0.00 23.12 22.43 3fm7 s ALA 11 CO -0.18 -0.28 0.17 0.34 0.00 0.00 0.00 175.76 175.80 3fm7 s ASP 12 N 1.53 1.14 0.00 0.00 -1.08 0.71 -5.00 116.67 113.97 3fm7 s ASP 12 Ca -0.01 0.05 0.00 0.00 -0.52 0.00 0.00 52.55 52.07 3fm7 s ASP 12 Cb -0.13 0.25 0.00 0.00 -1.46 0.00 0.00 42.92 41.58 3fm7 s ASP 12 CO -0.04 -0.28 0.00 1.15 0.52 0.00 0.00 175.17 176.52 3fm7 n MET 13 N 5.32 0.00 0.00 4.34 0.00 -1.25 0.16 117.12 125.69 3fm7 n MET 13 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.65 3fm7 n MET 13 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.72 3fm7 n MET 13 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 3fm7 n SER 14 N 0.00 0.70 0.00 3.17 2.88 -1.26 -4.83 113.62 114.28 3fm7 n SER 14 Ca 0.00 -1.22 0.00 0.00 -1.33 0.00 0.00 58.87 56.32 3fm7 n SER 14 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3fm7 n SER 14 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3fm7 n GLU 15 N -0.11 0.00 -0.27 -1.46 -0.58 -1.26 -3.36 120.64 113.60 3fm7 n GLU 15 Ca 0.00 0.00 0.04 0.00 -0.42 0.00 0.00 57.16 56.78 3fm7 n GLU 15 Cb 0.25 0.00 0.18 0.00 -0.57 0.00 0.00 31.44 31.29 3fm7 n GLU 15 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 3fm7 h GLU 16 N 0.00 0.58 -0.01 3.49 4.81 -1.99 0.52 114.58 121.98 3fm7 h GLU 16 Ca 0.00 -0.03 -0.25 0.00 -0.13 0.00 0.00 59.36 58.95 3fm7 h GLU 16 Cb 0.00 -0.13 0.01 0.00 0.63 0.00 0.00 28.75 29.26 3fm7 h GLU 16 CO 0.00 0.38 -0.98 1.98 -0.73 0.00 0.00 179.01 179.67 3fm7 h MET 17 N 0.60 0.59 -0.94 1.92 4.05 -1.96 -2.82 114.93 116.36 3fm7 h MET 17 Ca 0.40 -0.61 0.28 0.00 -0.28 0.00 0.00 59.70 59.49 3fm7 h MET 17 Cb 0.50 0.17 -0.15 0.00 -0.80 0.00 0.00 31.60 31.32 3fm7 h MET 17 CO -0.32 1.23 0.38 1.96 0.23 0.00 0.00 176.91 180.38 3fm7 h GLN 18 N 0.34 0.24 0.63 0.39 4.20 -1.46 -1.93 115.11 117.52 3fm7 h GLN 18 Ca -0.10 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.56 3fm7 h GLN 18 Cb 1.62 -0.05 0.01 0.00 0.30 0.00 0.00 27.48 29.35 3fm7 h GLN 18 CO 0.18 0.16 -0.30 0.37 -0.67 0.00 0.00 178.83 178.57 3fm7 h GLN 19 N 0.24 -0.82 -0.28 1.46 5.75 0.25 -2.36 115.11 119.36 3fm7 h GLN 19 Ca 0.64 0.06 0.08 0.00 -0.15 0.00 0.00 58.65 59.28 3fm7 h GLN 19 Cb 1.40 0.19 -0.01 0.00 1.07 0.00 0.00 27.48 30.12 3fm7 h GLN 19 CO -0.65 -0.54 0.45 -0.44 -2.65 0.00 0.00 178.83 175.00 3fm7 h ASP 20 N -1.09 0.00 0.56 -0.69 3.32 -1.38 1.58 116.42 118.72 3fm7 h ASP 20 Ca -0.09 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.94 3fm7 h ASP 20 Cb 0.65 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.20 3fm7 h ASP 20 CO 0.14 0.00 -0.27 0.00 -1.72 0.00 0.00 179.24 177.39 3fm7 h ALA 21 N 1.36 -0.98 -0.09 3.45 0.00 -1.06 -2.41 119.26 119.52 3fm7 h ALA 21 Ca 0.13 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.90 3fm7 h ALA 21 Cb 1.03 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 3fm7 h ALA 21 CO -0.00 -0.92 -0.05 0.28 0.00 0.00 0.00 179.25 178.56 3fm7 h VAL 22 N -0.91 0.84 -0.22 0.00 2.07 -0.32 -1.97 116.25 115.74 3fm7 h VAL 22 Ca -0.08 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.50 3fm7 h VAL 22 Cb 0.58 0.84 -0.05 0.00 -1.52 0.00 0.00 31.29 31.14 3fm7 h VAL 22 CO 0.13 0.00 -0.13 0.44 0.02 0.00 0.00 177.57 178.03 3fm7 h ASP 23 N -0.05 -0.42 1.11 0.57 3.32 0.21 0.21 116.42 121.38 3fm7 h ASP 23 Ca 0.05 0.10 -0.10 0.00 0.02 0.00 0.00 57.03 57.10 3fm7 h ASP 23 Cb 0.12 0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 3fm7 h ASP 23 CO -0.12 -0.16 -0.93 0.00 -1.72 0.00 0.00 179.24 176.31 3fm7 h ALA 25 N 1.61 -0.93 -1.79 0.00 0.00 -0.96 -1.91 119.26 115.29 3fm7 h ALA 25 Ca -0.07 -0.10 0.53 0.00 0.00 0.00 0.00 54.91 55.28 3fm7 h ALA 25 Cb 1.36 0.58 -0.09 0.00 0.00 0.00 0.00 17.79 19.64 3fm7 h ALA 25 CO 0.04 -0.96 1.27 2.41 0.00 0.00 0.00 179.25 182.00 3fm7 n THR 26 N -4.13 -0.04 -0.04 0.00 -1.04 0.70 -0.75 114.28 108.99 3fm7 n THR 26 Ca -0.06 1.47 -0.10 0.00 -2.04 0.00 0.00 64.05 63.32 3fm7 n THR 26 Cb 0.25 -2.45 -0.08 0.00 -1.82 0.00 0.00 70.33 66.23 3fm7 n THR 26 CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 3fm7 h GLN 27 N 0.00 -0.04 -1.00 -2.82 4.15 -1.36 -3.22 115.11 110.82 3fm7 h GLN 27 Ca 0.89 0.00 0.20 0.00 0.77 0.00 0.00 58.65 60.51 3fm7 h GLN 27 Cb 3.45 0.01 -0.10 0.00 0.21 0.00 0.00 27.48 31.04 3fm7 h GLN 27 CO -0.09 0.57 0.61 0.00 -1.93 0.00 0.00 178.83 178.00 3fm7 h ALA 28 N -0.30 1.77 -0.97 3.38 0.00 -0.15 -0.29 119.26 122.70 3fm7 h ALA 28 Ca -0.00 0.08 0.13 0.00 0.00 0.00 0.00 54.91 55.11 3fm7 h ALA 28 Cb 0.63 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.27 3fm7 h ALA 28 CO 0.01 -0.15 0.59 1.25 0.00 0.00 0.00 179.25 180.95 3fm7 h LEU 29 N 0.69 0.84 0.00 0.00 5.85 -1.09 -0.39 115.31 121.22 3fm7 h LEU 29 Ca 0.58 0.06 0.00 0.00 0.84 0.00 0.00 57.88 59.36 3fm7 h LEU 29 Cb 0.99 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.92 3fm7 h LEU 29 CO -0.37 0.42 -1.64 -1.84 -0.34 0.00 0.00 178.44 174.68 3fm7 n GLU 30 N -4.68 0.54 0.07 1.25 -0.00 -0.60 -4.22 120.64 113.01 3fm7 n GLU 30 Ca 0.19 -0.11 -0.18 0.00 -0.00 0.00 0.00 57.16 57.06 3fm7 n GLU 30 Cb 0.39 -1.57 -0.14 0.00 -0.00 0.00 0.00 31.44 30.11 3fm7 n GLU 30 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 3fm7 h LYS 31 N 0.00 0.30 -6.35 3.44 1.79 -0.72 -3.47 116.57 111.56 3fm7 h LYS 31 Ca 0.00 -0.51 -0.60 0.00 -2.18 0.00 0.00 60.65 57.36 3fm7 h LYS 31 Cb 0.91 0.19 -0.23 0.00 -1.58 0.00 0.00 32.23 31.52 3fm7 h LYS 31 CO 0.00 1.18 -0.84 0.71 -1.08 0.00 0.00 179.45 179.42 3fm7 s TYR 32 N -2.61 1.95 -0.14 -1.35 2.02 -0.19 -5.04 117.35 111.99 3fm7 s TYR 32 Ca -0.10 -0.40 0.18 0.00 -0.37 0.00 0.00 57.07 56.38 3fm7 s TYR 32 Cb 0.06 -1.09 -0.25 0.00 -0.40 0.00 0.00 41.96 40.28 3fm7 s TYR 32 CO 0.86 0.20 0.34 0.09 -1.57 0.00 0.00 175.55 175.48 3fm7 n ASN 33 N 1.28 0.22 -4.75 2.29 4.13 -1.26 -4.65 115.26 112.52 3fm7 n ASN 33 Ca -0.18 0.10 -0.36 0.00 1.68 0.00 0.00 54.58 55.82 3fm7 n ASN 33 Cb 0.53 0.99 -0.08 0.00 -1.54 0.00 0.00 39.78 39.68 3fm7 n ASN 33 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3fm7 s ILE 34 N -2.81 4.94 0.28 2.41 1.01 -1.26 -4.99 121.20 120.78 3fm7 s ILE 34 Ca -0.08 0.00 0.03 0.00 0.00 0.00 0.00 60.65 60.60 3fm7 s ILE 34 Cb 0.08 -3.15 0.27 0.00 0.01 0.00 0.00 42.46 39.67 3fm7 s ILE 34 CO 0.84 0.57 1.75 -0.33 0.00 0.00 0.00 174.94 177.78 3fm7 h GLU 35 N 5.54 0.61 -0.58 2.79 3.07 -1.93 -1.53 114.58 122.54 3fm7 h GLU 35 Ca -0.49 -0.04 -0.06 0.00 -0.50 0.00 0.00 59.36 58.28 3fm7 h GLU 35 Cb 1.20 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 28.95 3fm7 h GLU 35 CO 0.61 0.40 0.12 1.57 -1.40 0.00 0.00 179.01 180.31 3fm7 h LYS 36 N 0.63 0.94 -0.40 2.33 2.10 -1.94 -1.62 116.57 118.60 3fm7 h LYS 36 Ca 0.53 -0.24 -0.14 0.00 -2.00 0.00 0.00 60.65 58.80 3fm7 h LYS 36 Cb 0.83 -0.12 -0.01 0.00 -0.90 0.00 0.00 32.23 32.03 3fm7 h LYS 36 CO -0.40 0.88 -0.32 -0.44 -2.00 0.00 0.00 179.45 177.16 3fm7 h ASP 37 N 0.84 0.94 0.10 7.07 3.32 -1.72 -1.57 116.42 125.39 3fm7 h ASP 37 Ca 0.18 -0.40 0.02 0.00 0.02 0.00 0.00 57.03 56.85 3fm7 h ASP 37 Cb 0.37 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 39.61 3fm7 h ASP 37 CO 0.01 1.17 -0.48 0.40 -1.72 0.00 0.00 179.24 178.61 3fm7 h ILE 38 N 0.75 0.07 -0.65 0.35 2.04 -1.19 -0.94 117.51 117.94 3fm7 h ILE 38 Ca 0.08 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.02 3fm7 h ILE 38 Cb 0.89 0.07 -0.11 0.00 -0.74 0.00 0.00 36.82 36.93 3fm7 h ILE 38 CO 0.08 0.00 -0.47 0.00 0.00 0.00 0.00 178.15 177.76 3fm7 h ALA 39 N -0.34 -0.39 -0.95 1.87 0.00 -1.09 -1.71 119.26 116.65 3fm7 h ALA 39 Ca 0.01 0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.09 3fm7 h ALA 39 Cb 0.72 1.06 -0.06 0.00 0.00 0.00 0.00 17.79 19.51 3fm7 h ALA 39 CO -0.28 -0.87 0.61 0.00 0.00 0.00 0.00 179.25 178.70 3fm7 h ALA 40 N 0.56 1.30 -0.06 0.00 0.00 -1.02 -0.17 119.26 119.86 3fm7 h ALA 40 Ca 0.17 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.09 3fm7 h ALA 40 Cb 0.55 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 3fm7 h ALA 40 CO -0.74 0.41 -0.17 -0.92 0.00 0.00 0.00 179.25 177.84 3fm7 h TYR 41 N 1.12 -0.44 -0.22 0.00 3.20 -0.30 -2.10 116.97 118.24 3fm7 h TYR 41 Ca 0.40 0.02 -0.20 0.00 3.14 0.00 0.00 58.73 62.09 3fm7 h TYR 41 Cb 0.12 0.20 0.01 0.00 1.54 0.00 0.00 36.73 38.60 3fm7 h TYR 41 CO -0.01 -0.24 -0.66 0.82 -1.64 0.00 0.00 178.16 176.42 3fm7 h ILE 42 N -0.25 1.28 0.02 1.81 2.04 -0.63 -2.07 117.51 119.71 3fm7 h ILE 42 Ca 0.07 -1.85 0.00 0.00 1.00 0.00 0.00 64.86 64.09 3fm7 h ILE 42 Cb 0.35 1.81 -0.00 0.00 -0.74 0.00 0.00 36.82 38.24 3fm7 h ILE 42 CO -0.20 0.59 -0.05 0.50 0.00 0.00 0.00 178.15 178.99 3fm7 h LYS 43 N 0.60 -0.08 -0.47 2.37 3.11 -1.05 -2.59 116.57 118.45 3fm7 h LYS 43 Ca -0.02 0.01 0.09 0.00 -2.81 0.00 0.00 60.65 57.92 3fm7 h LYS 43 Cb 1.28 0.02 -0.09 0.00 -1.00 0.00 0.00 32.23 32.44 3fm7 h LYS 43 CO 0.14 -0.05 -0.11 0.87 -2.81 0.00 0.00 179.45 177.49 3fm7 h LYS 44 N -0.08 0.00 -0.93 1.90 1.57 -1.40 0.36 116.57 118.00 3fm7 h LYS 44 Ca -0.00 -0.00 0.26 0.00 -1.87 0.00 0.00 60.65 59.04 3fm7 h LYS 44 Cb 0.08 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.35 3fm7 h LYS 44 CO -0.03 0.00 0.66 1.49 -0.57 0.00 0.00 179.45 181.01 3fm7 h GLU 45 N 0.00 0.03 0.03 3.15 4.57 -1.37 0.80 114.58 121.80 3fm7 h GLU 45 Ca 0.23 -0.00 -0.37 0.00 -1.18 0.00 0.00 59.36 58.04 3fm7 h GLU 45 Cb 0.35 -0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.88 3fm7 h GLU 45 CO -0.49 0.02 -2.24 1.19 -1.18 0.00 0.00 179.01 176.31 3fm7 n PHE 46 N -4.28 0.47 -0.25 0.92 3.01 0.98 -2.43 117.46 115.88 3fm7 n PHE 46 Ca 0.19 0.12 0.05 0.00 1.01 0.00 0.00 57.45 58.82 3fm7 n PHE 46 Cb 0.97 -1.07 0.18 0.00 -0.01 0.00 0.00 39.48 39.56 3fm7 n PHE 46 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 3fm7 h ASP 47 N 0.02 0.08 0.48 4.37 5.19 -0.23 0.13 116.42 126.46 3fm7 h ASP 47 Ca -0.50 0.14 -0.02 0.00 -0.62 0.00 0.00 57.03 56.03 3fm7 h ASP 47 Cb 2.02 0.17 0.00 0.00 0.18 0.00 0.00 39.33 41.70 3fm7 h ASP 47 CO 0.00 -0.01 -0.23 0.50 -3.12 0.00 0.00 179.24 176.38 3fm7 h LYS 48 N 0.31 -0.63 -0.18 3.56 3.64 -0.93 -1.49 116.57 120.84 3fm7 h LYS 48 Ca 0.41 0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.73 3fm7 h LYS 48 Cb 0.69 0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.65 3fm7 h LYS 48 CO -0.48 -0.32 -0.29 -0.22 -2.27 0.00 0.00 179.45 175.86 3fm7 h LYS 49 N -0.92 0.51 -0.10 1.90 3.64 -1.40 -3.35 116.57 116.86 3fm7 h LYS 49 Ca -0.07 -0.31 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 3fm7 h LYS 49 Cb 0.59 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 3fm7 h LYS 49 CO 0.11 0.91 0.00 0.66 -2.27 0.00 0.00 179.45 178.86 3fm7 n TYR 50 N -4.37 0.13 -0.25 1.91 4.02 0.45 -5.08 117.16 113.96 3fm7 n TYR 50 Ca -0.06 -0.45 0.00 0.00 -0.01 0.00 0.00 57.90 57.38 3fm7 n TYR 50 Cb 0.47 -0.04 0.00 0.00 -0.02 0.00 0.00 39.34 39.75 3fm7 n TYR 50 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3fm7 n ASN 51 N -0.14 -2.32 -4.33 7.72 4.13 -0.56 -4.94 115.26 114.81 3fm7 n ASN 51 Ca 0.03 0.19 -0.33 0.00 1.68 0.00 0.00 54.58 56.16 3fm7 n ASN 51 Cb 0.28 0.11 0.14 0.00 -1.54 0.00 0.00 39.78 38.78 3fm7 n ASN 51 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 3fm7 n PRO 52 N -0.88 -0.95 -4.91 3.52 -0.02 -1.23 -4.66 135.00 125.88 3fm7 n PRO 52 Ca 0.00 -0.25 -0.33 0.00 -2.02 0.00 0.00 63.50 60.90 3fm7 n PRO 52 Cb 0.00 -1.75 -0.14 0.00 -0.02 0.00 0.00 33.50 31.60 3fm7 n PRO 52 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3fm7 s THR 53 N -2.30 2.94 0.39 3.45 -4.23 -1.26 -4.91 115.64 109.72 3fm7 s THR 53 Ca 0.56 -0.75 0.08 0.00 -1.18 0.00 0.00 61.69 60.39 3fm7 s THR 53 Cb -0.16 -2.16 -0.02 0.00 1.34 0.00 0.00 72.50 71.50 3fm7 s THR 53 CO 0.67 0.57 0.37 0.26 -0.54 0.00 0.00 174.62 175.95 3fm7 s TRP 54 N -0.37 2.79 -0.07 3.99 0.52 -1.26 -1.73 118.94 122.81 3fm7 s TRP 54 Ca 0.04 -0.41 -0.03 0.00 0.02 0.00 0.00 56.10 55.72 3fm7 s TRP 54 Cb -0.12 -2.07 0.04 0.00 -1.15 0.00 0.00 33.47 30.17 3fm7 s TRP 54 CO 0.02 -0.05 0.15 -1.01 0.02 0.00 0.00 176.95 176.08 3fm7 s HIS 55 N -2.40 -0.17 -0.12 -1.98 3.76 0.27 -4.93 115.29 109.73 3fm7 s HIS 55 Ca 0.46 0.50 0.01 0.00 -0.15 0.00 0.00 55.06 55.88 3fm7 s HIS 55 Cb -0.05 -0.11 -0.02 0.00 1.11 0.00 0.00 32.58 33.51 3fm7 s HIS 55 CO 0.28 -0.18 -0.14 0.00 -0.85 0.00 0.00 174.74 173.85 3fm7 s ILE 57 N 0.20 1.88 -0.09 0.00 1.09 0.09 -4.86 121.20 119.51 3fm7 s ILE 57 Ca -0.09 -0.90 0.03 0.00 -1.10 0.00 0.00 60.65 58.59 3fm7 s ILE 57 Cb -0.15 -1.65 0.01 0.00 -1.06 0.00 0.00 42.46 39.61 3fm7 s ILE 57 CO 0.05 0.52 -0.18 -0.69 -0.10 0.00 0.00 174.94 174.54 3fm7 s VAL 58 N 0.53 1.63 0.00 2.92 1.01 -1.26 -1.05 120.40 124.18 3fm7 s VAL 58 Ca -0.15 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.07 3fm7 s VAL 58 Cb -0.17 -1.44 0.00 0.00 0.00 0.00 0.00 36.38 34.77 3fm7 s VAL 58 CO 0.05 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.23 3fm7 n GLY 59 N 3.76 1.70 0.51 4.51 0.00 -0.95 -4.75 105.19 109.97 3fm7 n GLY 59 Ca -0.20 -0.75 -0.04 0.00 0.00 0.00 0.00 46.02 45.02 3fm7 n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fm7 n ARG 60 N 0.00 0.09 -3.74 1.61 1.74 -1.26 0.52 116.66 115.62 3fm7 n ARG 60 Ca 0.00 0.03 -0.30 0.00 -0.77 0.00 0.00 57.85 56.82 3fm7 n ARG 60 Cb 0.00 -0.83 -0.13 0.00 -1.02 0.00 0.00 32.46 30.47 3fm7 n ARG 60 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 3fm7 s ASN 61 N -4.96 3.79 0.10 0.55 0.01 -1.26 -4.75 114.94 108.42 3fm7 s ASN 61 Ca -0.06 -2.48 0.02 0.00 -0.71 0.00 0.00 52.86 49.64 3fm7 s ASN 61 Cb 0.02 -1.07 -0.04 0.00 0.41 0.00 0.00 41.25 40.57 3fm7 s ASN 61 CO 0.08 -0.29 -0.07 0.72 -1.51 0.00 0.00 177.10 176.03 3fm7 s PHE 62 N 0.54 0.93 0.24 2.20 -0.12 -1.26 -5.17 117.98 115.33 3fm7 s PHE 62 Ca 0.16 -0.83 0.09 0.00 -0.05 0.00 0.00 56.93 56.30 3fm7 s PHE 62 Cb -0.23 -0.53 -0.05 0.00 -0.63 0.00 0.00 43.02 41.58 3fm7 s PHE 62 CO -0.04 -0.10 -0.16 0.20 -0.05 0.00 0.00 175.22 175.07 3fm7 s GLY 63 N -2.87 1.64 -0.19 1.99 0.00 -1.26 -5.12 107.32 101.51 3fm7 s GLY 63 Ca 0.10 -1.77 -0.12 0.00 0.00 0.00 0.00 44.72 42.93 3fm7 s GLY 63 CO -0.03 -1.85 0.48 -1.35 0.00 0.00 0.00 173.10 170.35 3fm7 s SER 64 N -3.40 -0.60 -0.17 1.64 1.04 -1.26 -5.12 113.70 105.83 3fm7 s SER 64 Ca 0.26 1.02 -0.03 0.00 0.48 0.00 0.00 55.95 57.69 3fm7 s SER 64 Cb -0.02 0.93 0.05 0.00 0.10 0.00 0.00 66.02 67.08 3fm7 s SER 64 CO 0.10 -0.20 0.03 -0.47 0.98 0.00 0.00 173.24 173.69 3fm7 s TYR 65 N 1.23 0.88 0.10 5.02 5.04 -1.26 -5.15 117.35 123.22 3fm7 s TYR 65 Ca -0.08 -0.68 0.02 0.00 -2.44 0.00 0.00 57.07 53.89 3fm7 s TYR 65 Cb -0.07 -0.96 -0.04 0.00 0.35 0.00 0.00 41.96 41.24 3fm7 s TYR 65 CO -0.12 -0.55 -0.07 0.14 -1.34 0.00 0.00 175.55 173.61 3fm7 s VAL 66 N 1.90 0.74 -0.15 3.14 -7.23 -1.26 -5.14 120.40 112.40 3fm7 s VAL 66 Ca 0.00 -1.92 -0.02 0.00 -1.81 0.00 0.00 61.98 58.24 3fm7 s VAL 66 Cb -0.16 -1.66 -0.02 0.00 0.56 0.00 0.00 36.38 35.10 3fm7 s VAL 66 CO -0.08 -0.84 -0.09 -0.89 -0.31 0.00 0.00 175.10 172.89 3fm7 s THR 67 N -3.50 3.33 0.49 5.32 2.01 -1.26 -5.13 115.64 116.90 3fm7 s THR 67 Ca 0.12 -0.55 0.02 0.00 0.31 0.00 0.00 61.69 61.59 3fm7 s THR 67 Cb 0.04 -2.44 -0.03 0.00 0.01 0.00 0.00 72.50 70.09 3fm7 s THR 67 CO -0.04 0.50 0.01 -1.38 -0.69 0.00 0.00 174.62 173.02 3fm7 s HIS 68 N 0.54 2.01 0.06 4.92 -3.43 -1.26 -4.69 115.29 113.44 3fm7 s HIS 68 Ca -0.06 -0.89 -0.18 0.00 -0.80 0.00 0.00 55.06 53.13 3fm7 s HIS 68 Cb -0.15 -1.65 -0.06 0.00 -1.43 0.00 0.00 32.58 29.28 3fm7 s HIS 68 CO 0.03 0.27 0.53 -1.21 -2.00 0.00 0.00 174.74 172.36 3fm7 s GLU 69 N -3.84 4.11 -0.33 -0.38 2.02 -0.56 -4.98 118.70 114.73 3fm7 s GLU 69 Ca 0.12 0.63 -0.44 0.00 0.02 0.00 0.00 54.97 55.31 3fm7 s GLU 69 Cb 0.03 -3.21 -0.19 0.00 0.10 0.00 0.00 34.13 30.86 3fm7 s GLU 69 CO 0.06 0.64 1.49 0.25 0.02 0.00 0.00 175.26 177.73 3fm7 n THR 70 N 1.67 0.05 -1.94 3.63 -2.24 -1.26 -1.35 114.28 112.84 3fm7 n THR 70 Ca -0.11 -0.01 -0.03 0.00 -2.27 0.00 0.00 64.05 61.63 3fm7 n THR 70 Cb 0.51 -0.52 -0.00 0.00 -2.10 0.00 0.00 70.33 68.22 3fm7 n THR 70 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3fm7 n ARG 71 N 3.59 -0.25 -2.79 -0.78 3.00 -1.26 -4.91 116.66 113.27 3fm7 n ARG 71 Ca 0.27 0.21 -0.02 0.00 -0.00 0.00 0.00 57.85 58.32 3fm7 n ARG 71 Cb 0.01 -3.88 0.06 0.00 0.00 0.00 0.00 32.46 28.66 3fm7 n ARG 71 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 3fm7 n HIS 72 N -3.86 0.56 -3.87 -0.14 8.25 -0.46 -3.83 115.22 111.88 3fm7 n HIS 72 Ca -0.04 -2.14 -0.12 0.00 -0.26 0.00 0.00 57.72 55.17 3fm7 n HIS 72 Cb 0.47 0.11 -0.13 0.00 1.12 0.00 0.00 29.99 31.57 3fm7 n HIS 72 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 3fm7 s PHE 73 N -2.93 -0.02 -0.26 4.41 2.19 0.42 -1.45 117.98 120.34 3fm7 s PHE 73 Ca 0.24 0.05 -0.23 0.00 0.33 0.00 0.00 56.93 57.31 3fm7 s PHE 73 Cb 0.36 -0.01 0.07 0.00 -1.31 0.00 0.00 43.02 42.13 3fm7 s PHE 73 CO -0.05 -0.09 0.68 -1.50 1.83 0.00 0.00 175.22 176.10 3fm7 s ILE 74 N -0.34 -0.00 -0.09 3.12 2.07 0.10 -0.21 121.20 125.86 3fm7 s ILE 74 Ca -0.04 0.00 -0.03 0.00 -1.41 0.00 0.00 60.65 59.17 3fm7 s ILE 74 Cb -0.03 -0.95 0.05 0.00 0.13 0.00 0.00 42.46 41.66 3fm7 s ILE 74 CO 0.00 0.00 0.14 -0.47 -1.91 0.00 0.00 174.94 172.70 3fm7 s TYR 75 N 0.45 -0.11 0.10 3.50 5.04 -0.25 -1.42 117.35 124.66 3fm7 s TYR 75 Ca -0.01 0.47 -0.10 0.00 -2.44 0.00 0.00 57.07 54.99 3fm7 s TYR 75 Cb -0.05 -0.33 0.01 0.00 0.35 0.00 0.00 41.96 41.93 3fm7 s TYR 75 CO -0.00 -0.28 0.24 -0.59 -1.34 0.00 0.00 175.55 173.57 3fm7 s PHE 76 N 2.26 0.09 -0.17 4.97 -0.71 0.26 -1.97 117.98 122.72 3fm7 s PHE 76 Ca 0.04 -0.50 -0.09 0.00 -1.04 0.00 0.00 56.93 55.35 3fm7 s PHE 76 Cb -0.12 0.01 -0.05 0.00 -1.21 0.00 0.00 43.02 41.65 3fm7 s PHE 76 CO -0.06 -0.59 0.12 0.71 -1.34 0.00 0.00 175.22 174.07 3fm7 s TYR 77 N -3.86 3.46 -0.29 3.49 4.12 0.75 -0.48 117.35 124.55 3fm7 s TYR 77 Ca 0.05 0.38 -0.01 0.00 0.02 0.00 0.00 57.07 57.51 3fm7 s TYR 77 Cb 0.04 -2.07 0.05 0.00 -1.52 0.00 0.00 41.96 38.46 3fm7 s TYR 77 CO -0.11 0.44 -0.03 -1.17 0.02 0.00 0.00 175.55 174.71 3fm7 s LEU 78 N -0.16 3.73 0.00 -1.29 2.96 -0.49 -1.09 118.68 122.33 3fm7 s LEU 78 Ca 0.10 -1.25 0.00 0.00 -0.22 0.00 0.00 54.13 52.77 3fm7 s LEU 78 Cb -0.11 -1.68 0.00 0.00 0.50 0.00 0.00 46.19 44.90 3fm7 s LEU 78 CO 0.00 -0.23 0.00 0.61 -1.32 0.00 0.00 176.35 175.41 3fm7 n GLY 79 N 4.60 1.07 1.34 7.98 0.00 -1.25 -1.37 105.19 117.55 3fm7 n GLY 79 Ca -0.14 0.33 0.03 0.00 0.00 0.00 0.00 46.02 46.24 3fm7 n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fm7 n GLN 80 N 0.00 0.86 -3.83 1.61 -0.00 -1.26 -5.00 117.38 109.76 3fm7 n GLN 80 Ca 0.00 -2.67 -0.36 0.00 -0.00 0.00 0.00 57.00 53.96 3fm7 n GLN 80 Cb 0.00 -0.79 -0.12 0.00 -0.00 0.00 0.00 30.24 29.33 3fm7 n GLN 80 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 3fm7 s VAL 81 N -1.64 4.56 0.14 -0.39 1.01 -0.47 -4.76 120.40 118.85 3fm7 s VAL 81 Ca 0.36 -0.10 -0.30 0.00 0.00 0.00 0.00 61.98 61.94 3fm7 s VAL 81 Cb 0.38 -3.11 -0.07 0.00 0.00 0.00 0.00 36.38 33.57 3fm7 s VAL 81 CO -0.11 0.36 1.19 0.00 0.00 0.00 0.00 175.10 176.54 3fm7 s ALA 82 N 1.26 3.42 -0.18 5.51 0.00 0.19 -1.40 121.76 130.56 3fm7 s ALA 82 Ca 0.05 0.91 -0.01 0.00 0.00 0.00 0.00 51.96 52.91 3fm7 s ALA 82 Cb -0.15 -3.42 0.05 0.00 0.00 0.00 0.00 23.12 19.60 3fm7 s ALA 82 CO 0.04 -0.38 -0.04 0.42 0.00 0.00 0.00 175.76 175.80 3fm7 s ILE 83 N 0.30 1.07 0.04 0.00 1.01 0.37 -2.25 121.20 121.74 3fm7 s ILE 83 Ca 0.55 -0.69 0.09 0.00 0.00 0.00 0.00 60.65 60.59 3fm7 s ILE 83 Cb -0.31 -1.31 -0.03 0.00 0.01 0.00 0.00 42.46 40.82 3fm7 s ILE 83 CO 0.34 0.05 -0.26 -0.22 0.00 0.00 0.00 174.94 174.84 3fm7 s LEU 84 N 1.64 2.16 -0.30 2.97 2.96 -0.22 -0.57 118.68 127.31 3fm7 s LEU 84 Ca -0.00 -0.58 -0.13 0.00 -0.22 0.00 0.00 54.13 53.20 3fm7 s LEU 84 Cb -0.16 -1.28 0.16 0.00 0.50 0.00 0.00 46.19 45.41 3fm7 s LEU 84 CO -0.07 0.26 0.93 -0.22 -1.32 0.00 0.00 176.35 175.92 3fm7 s LEU 85 N -1.17 -0.69 0.06 -0.68 2.96 -0.51 -0.73 118.68 117.92 3fm7 s LEU 85 Ca 0.11 0.84 -0.26 0.00 -0.22 0.00 0.00 54.13 54.60 3fm7 s LEU 85 Cb -0.10 1.74 0.08 0.00 0.50 0.00 0.00 46.19 48.42 3fm7 s LEU 85 CO 0.02 -0.13 0.71 0.72 -1.32 0.00 0.00 176.35 176.34 3fm7 s PHE 86 N 2.60 -0.51 -0.08 5.38 -0.71 -0.97 -0.72 117.98 122.97 3fm7 s PHE 86 Ca -0.01 0.47 -0.00 0.00 -1.04 0.00 0.00 56.93 56.35 3fm7 s PHE 86 Cb -0.08 0.52 -0.03 0.00 -1.21 0.00 0.00 43.02 42.22 3fm7 s PHE 86 CO -0.17 -0.70 -0.04 0.21 -1.34 0.00 0.00 175.22 173.17 3fm7 s LYS 87 N -2.95 2.90 -0.39 1.99 2.20 -0.53 -0.56 119.74 122.38 3fm7 s LYS 87 Ca -0.01 -0.50 0.01 0.00 -0.36 0.00 0.00 55.97 55.11 3fm7 s LYS 87 Cb -0.01 -2.68 0.19 0.00 -1.51 0.00 0.00 37.83 33.82 3fm7 s LYS 87 CO -0.07 0.64 0.84 0.45 -0.36 0.00 0.00 175.35 176.85 3fm7 s SER 88 N -0.74 -0.99 0.00 1.43 0.15 -0.71 -1.50 113.70 111.35 3fm7 s SER 88 Ca 0.11 -0.71 0.00 0.00 0.70 0.00 0.00 55.95 56.06 3fm7 s SER 88 Cb -0.11 1.27 0.00 0.00 -1.71 0.00 0.00 66.02 65.47 3fm7 s SER 88 CO 0.02 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 174.98