#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 0.88 -0.23 3.14 0.00 -1.26 -3.87 121.76 120.41 3fm7 s ALA 6 Ca 0.00 -0.21 -0.08 0.00 0.00 0.00 0.00 51.96 51.67 3fm7 s ALA 6 Cb 0.00 -0.59 -0.04 0.00 0.00 0.00 0.00 23.12 22.49 3fm7 s ALA 6 CO 0.00 -0.16 0.09 0.08 0.00 0.00 0.00 175.76 175.77 3fm7 s VAL 7 N 1.23 4.67 -0.42 0.00 1.01 -1.10 -4.97 120.40 120.82 3fm7 s VAL 7 Ca -0.06 -0.06 -0.21 0.00 0.00 0.00 0.00 61.98 61.65 3fm7 s VAL 7 Cb -0.14 -3.17 0.02 0.00 0.00 0.00 0.00 36.38 33.10 3fm7 s VAL 7 CO -0.02 0.36 0.68 -0.63 0.00 0.00 0.00 175.10 175.50 3fm7 s ILE 8 N 1.22 4.79 -0.06 2.22 -1.09 -1.26 -0.97 121.20 126.04 3fm7 s ILE 8 Ca 0.05 0.31 -0.19 0.00 -2.23 0.00 0.00 60.65 58.60 3fm7 s ILE 8 Cb -0.14 -4.21 -0.30 0.00 -1.58 0.00 0.00 42.46 36.23 3fm7 s ILE 8 CO 0.04 -0.57 0.76 0.50 -1.23 0.00 0.00 174.94 174.45 3fm7 h LYS 9 N 8.81 0.30 -2.28 2.79 3.64 -1.64 -3.47 116.57 124.72 3fm7 h LYS 9 Ca -0.25 -0.52 -0.06 0.00 -1.27 0.00 0.00 60.65 58.55 3fm7 h LYS 9 Cb 1.10 0.19 -0.22 0.00 -0.41 0.00 0.00 32.23 32.88 3fm7 h LYS 9 CO 0.90 1.25 -0.04 1.21 -2.27 0.00 0.00 179.45 180.50 3fm7 s ASN 10 N -7.07 -0.67 -0.04 4.20 2.47 -0.95 -5.05 114.94 107.83 3fm7 s ASN 10 Ca -0.16 1.23 -0.03 0.00 0.42 0.00 0.00 52.86 54.33 3fm7 s ASN 10 Cb 0.03 1.20 0.02 0.00 -1.45 0.00 0.00 41.25 41.05 3fm7 s ASN 10 CO 0.82 -0.21 0.09 0.00 -3.72 0.00 0.00 177.10 174.08 3fm7 s ALA 11 N 0.69 -0.18 -0.30 1.71 0.00 -1.26 -1.41 121.76 121.00 3fm7 s ALA 11 Ca -0.03 0.37 -0.03 0.00 0.00 0.00 0.00 51.96 52.27 3fm7 s ALA 11 Cb -0.05 -0.24 0.10 0.00 0.00 0.00 0.00 23.12 22.93 3fm7 s ALA 11 CO -0.05 -0.08 0.12 0.34 0.00 0.00 0.00 175.76 176.09 3fm7 s ASP 12 N 0.50 3.69 0.00 0.00 -1.08 0.17 -4.92 116.67 115.04 3fm7 s ASP 12 Ca -0.04 -1.43 0.00 0.00 -0.52 0.00 0.00 52.55 50.56 3fm7 s ASP 12 Cb -0.05 -0.52 0.00 0.00 -1.46 0.00 0.00 42.92 40.88 3fm7 s ASP 12 CO -0.02 -0.43 0.00 0.80 0.52 0.00 0.00 175.17 176.04 3fm7 n MET 13 N 5.09 0.00 0.00 4.34 1.56 -1.26 -0.62 117.12 126.22 3fm7 n MET 13 Ca -0.04 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.39 3fm7 n MET 13 Cb 0.42 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.79 3fm7 n MET 13 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 3fm7 n SER 14 N 0.00 0.00 0.00 6.12 2.88 -1.26 -4.38 113.62 116.98 3fm7 n SER 14 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 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 1.21 -1.23 0.00 0.00 175.04 175.02 3fm7 n GLU 15 N 0.00 0.00 0.11 -1.46 0.00 -1.26 -1.41 120.64 116.63 3fm7 n GLU 15 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 57.16 57.03 3fm7 n GLU 15 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 31.44 31.38 3fm7 n GLU 15 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 3fm7 h GLU 16 N 0.00 -0.51 -0.65 5.31 5.08 -1.98 0.42 114.58 122.25 3fm7 h GLU 16 Ca 0.00 0.03 0.09 0.00 -1.00 0.00 0.00 59.36 58.48 3fm7 h GLU 16 Cb 0.00 0.12 -0.11 0.00 0.50 0.00 0.00 28.75 29.26 3fm7 h GLU 16 CO 0.00 -0.34 -0.48 0.52 -1.00 0.00 0.00 179.01 177.71 3fm7 h MET 17 N -0.53 -0.20 -0.44 2.33 2.86 -1.62 0.28 114.93 117.61 3fm7 h MET 17 Ca 0.03 0.01 0.06 0.00 -2.06 0.00 0.00 59.70 57.74 3fm7 h MET 17 Cb 0.56 0.04 -0.09 0.00 0.06 0.00 0.00 31.60 32.18 3fm7 h MET 17 CO -0.18 -0.13 -0.53 0.37 1.06 0.00 0.00 176.91 177.50 3fm7 h GLN 18 N -0.21 -0.35 0.00 1.72 4.15 -0.35 0.39 115.11 120.47 3fm7 h GLN 18 Ca 0.17 0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.59 3fm7 h GLN 18 Cb 0.55 0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.32 3fm7 h GLN 18 CO -0.74 -0.23 -0.10 0.37 -1.93 0.00 0.00 178.83 176.21 3fm7 h GLN 19 N -0.36 0.00 -0.06 1.69 5.75 -0.19 0.30 115.11 122.24 3fm7 h GLN 19 Ca 0.10 0.00 -0.19 0.00 -0.15 0.00 0.00 58.65 58.41 3fm7 h GLN 19 Cb 0.59 0.00 0.01 0.00 1.07 0.00 0.00 27.48 29.15 3fm7 h GLN 19 CO -0.61 0.10 -0.70 0.22 -2.65 0.00 0.00 178.83 175.18 3fm7 h ASP 20 N 0.00 0.72 -0.51 -0.69 3.58 0.12 -1.94 116.42 117.70 3fm7 h ASP 20 Ca -0.00 -0.70 0.01 0.00 0.42 0.00 0.00 57.03 56.77 3fm7 h ASP 20 Cb 0.46 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 41.27 3fm7 h ASP 20 CO 0.01 1.31 0.33 0.00 -2.88 0.00 0.00 179.24 178.01 3fm7 h ALA 21 N 0.43 0.66 0.53 -0.78 0.00 0.56 -1.55 119.26 119.10 3fm7 h ALA 21 Ca -0.07 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3fm7 h ALA 21 Cb 1.36 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 3fm7 h ALA 21 CO 0.14 0.07 -0.43 0.28 0.00 0.00 0.00 179.25 179.31 3fm7 h VAL 22 N 0.67 0.15 -0.15 0.00 2.07 -0.99 -1.88 116.25 116.12 3fm7 h VAL 22 Ca 0.19 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.62 3fm7 h VAL 22 Cb -0.05 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 29.86 3fm7 h VAL 22 CO -0.06 0.00 -0.33 0.44 0.02 0.00 0.00 177.57 177.64 3fm7 h ASP 23 N -0.94 0.30 0.12 0.57 3.32 -1.31 -2.44 116.42 116.05 3fm7 h ASP 23 Ca -0.06 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 56.88 3fm7 h ASP 23 Cb 0.80 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 3fm7 h ASP 23 CO -0.00 0.62 -0.14 0.00 -1.72 0.00 0.00 179.24 177.99 3fm7 h ALA 25 N -1.46 3.12 -0.00 0.00 0.00 -0.84 0.21 119.26 120.29 3fm7 h ALA 25 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3fm7 h ALA 25 Cb 0.24 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3fm7 h ALA 25 CO -0.03 -1.60 -0.00 1.15 0.00 0.00 0.00 179.25 178.77 3fm7 h THR 26 N 0.07 1.31 -0.53 0.00 2.02 -1.49 0.69 112.91 114.98 3fm7 h THR 26 Ca 0.73 -0.92 0.05 0.00 0.77 0.00 0.00 66.41 67.04 3fm7 h THR 26 Cb 2.66 1.93 -0.07 0.00 -1.74 0.00 0.00 68.15 70.93 3fm7 h THR 26 CO -0.15 0.24 -0.34 1.56 0.37 0.00 0.00 175.52 177.21 3fm7 h GLN 27 N -0.38 -0.03 -1.00 6.66 4.20 -0.60 0.10 115.11 124.07 3fm7 h GLN 27 Ca 0.00 0.00 0.38 0.00 0.06 0.00 0.00 58.65 59.09 3fm7 h GLN 27 Cb 0.39 0.01 -0.18 0.00 0.30 0.00 0.00 27.48 28.00 3fm7 h GLN 27 CO 0.00 -0.02 0.40 0.00 -0.67 0.00 0.00 178.83 178.54 3fm7 h ALA 28 N -0.20 1.89 -0.31 3.87 0.00 -0.95 -0.71 119.26 122.85 3fm7 h ALA 28 Ca 0.09 0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.28 3fm7 h ALA 28 Cb 0.25 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3fm7 h ALA 28 CO -0.51 -0.85 0.00 -0.11 0.00 0.00 0.00 179.25 177.78 3fm7 n LEU 29 N -5.32 1.96 0.00 0.00 7.94 0.19 -1.85 117.00 119.92 3fm7 n LEU 29 Ca 0.34 -0.98 0.00 0.00 -1.11 0.00 0.00 56.01 54.25 3fm7 n LEU 29 Cb 1.14 -0.28 0.00 0.00 0.53 0.00 0.00 43.42 44.81 3fm7 n LEU 29 CO -0.01 0.43 -0.22 -1.84 -1.11 0.00 0.00 177.39 174.64 3fm7 n GLU 30 N 0.42 1.46 0.14 1.96 -0.00 -0.33 -4.77 120.64 119.51 3fm7 n GLU 30 Ca 0.11 0.00 -0.13 0.00 -0.00 0.00 0.00 57.16 57.14 3fm7 n GLU 30 Cb 0.34 -0.72 -0.08 0.00 -0.00 0.00 0.00 31.44 30.98 3fm7 n GLU 30 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 3fm7 h LYS 31 N 0.00 -0.37 -5.84 3.44 3.64 -1.44 -3.46 116.57 112.54 3fm7 h LYS 31 Ca 0.00 0.03 -0.66 0.00 -1.27 0.00 0.00 60.65 58.74 3fm7 h LYS 31 Cb 0.44 0.09 -0.09 0.00 -0.41 0.00 0.00 32.23 32.26 3fm7 h LYS 31 CO 0.00 -0.04 -0.53 0.71 -2.27 0.00 0.00 179.45 177.32 3fm7 s TYR 32 N -4.40 3.42 -0.02 1.91 2.02 -0.77 -5.00 117.35 114.51 3fm7 s TYR 32 Ca -0.14 0.34 0.14 0.00 -0.37 0.00 0.00 57.07 57.04 3fm7 s TYR 32 Cb 0.02 -1.83 -0.21 0.00 -0.40 0.00 0.00 41.96 39.54 3fm7 s TYR 32 CO 0.52 0.62 0.29 -1.71 -1.57 0.00 0.00 175.55 173.70 3fm7 n ASN 33 N 1.56 1.87 -4.76 2.29 5.15 -1.26 -4.56 115.26 115.54 3fm7 n ASN 33 Ca -0.16 0.00 -0.38 0.00 -0.60 0.00 0.00 54.58 53.44 3fm7 n ASN 33 Cb 0.54 1.59 -0.06 0.00 -0.53 0.00 0.00 39.78 41.32 3fm7 n ASN 33 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3fm7 s ILE 34 N -2.93 5.11 0.36 -1.44 1.01 -1.26 -4.97 121.20 117.08 3fm7 s ILE 34 Ca -0.05 0.90 0.05 0.00 0.00 0.00 0.00 60.65 61.55 3fm7 s ILE 34 Cb 0.09 -3.77 0.28 0.00 0.01 0.00 0.00 42.46 39.07 3fm7 s ILE 34 CO 0.57 0.43 1.97 -0.33 0.00 0.00 0.00 174.94 177.58 3fm7 h GLU 35 N 5.92 0.76 0.00 2.79 5.08 -1.93 -0.08 114.58 127.12 3fm7 h GLU 35 Ca -0.45 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 3fm7 h GLU 35 Cb 1.19 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.27 3fm7 h GLU 35 CO 0.70 0.50 0.00 1.57 -1.00 0.00 0.00 179.01 180.79 3fm7 h LYS 36 N 0.78 0.00 0.05 2.33 2.10 -1.93 -2.96 116.57 116.94 3fm7 h LYS 36 Ca 0.29 0.00 -0.28 0.00 -2.00 0.00 0.00 60.65 58.66 3fm7 h LYS 36 Cb 0.15 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.46 3fm7 h LYS 36 CO -0.09 0.00 -1.47 -0.44 -2.00 0.00 0.00 179.45 175.45 3fm7 h ASP 37 N 0.00 0.16 -0.35 7.07 3.32 -1.43 -2.74 116.42 122.46 3fm7 h ASP 37 Ca 0.00 -0.24 0.01 0.00 0.02 0.00 0.00 57.03 56.82 3fm7 h ASP 37 Cb 0.74 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.21 3fm7 h ASP 37 CO 0.00 1.20 0.21 0.40 -1.72 0.00 0.00 179.24 179.33 3fm7 h ILE 38 N 0.03 1.04 0.09 0.35 1.08 -1.31 -1.53 117.51 117.25 3fm7 h ILE 38 Ca -0.20 -0.14 0.01 0.00 -0.39 0.00 0.00 64.86 64.13 3fm7 h ILE 38 Cb 1.95 0.58 -0.02 0.00 -3.07 0.00 0.00 36.82 36.27 3fm7 h ILE 38 CO 0.12 0.08 -0.12 0.00 -0.69 0.00 0.00 178.15 177.54 3fm7 h ALA 39 N 1.15 -0.21 -0.75 1.87 0.00 -1.62 -2.84 119.26 116.87 3fm7 h ALA 39 Ca 0.14 -0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.16 3fm7 h ALA 39 Cb 0.00 0.19 -0.14 0.00 0.00 0.00 0.00 17.79 17.84 3fm7 h ALA 39 CO -0.06 -0.64 -0.30 0.00 0.00 0.00 0.00 179.25 178.25 3fm7 h ALA 40 N 0.64 0.20 -0.82 0.00 0.00 -1.22 -0.26 119.26 117.79 3fm7 h ALA 40 Ca 0.02 0.24 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 3fm7 h ALA 40 Cb 0.26 0.77 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 3fm7 h ALA 40 CO -0.06 -0.57 0.37 -0.92 0.00 0.00 0.00 179.25 178.07 3fm7 h TYR 41 N -0.07 1.20 -0.00 0.00 3.20 -1.08 -0.99 116.97 119.23 3fm7 h TYR 41 Ca 0.31 -0.07 -0.00 0.00 3.14 0.00 0.00 58.73 62.11 3fm7 h TYR 41 Cb 0.57 -0.37 0.00 0.00 1.54 0.00 0.00 36.73 38.47 3fm7 h TYR 41 CO -0.69 0.88 -0.01 0.82 -1.64 0.00 0.00 178.16 177.53 3fm7 h ILE 42 N 1.17 1.54 -0.43 1.81 2.04 -1.15 -2.34 117.51 120.16 3fm7 h ILE 42 Ca 0.28 -1.62 0.08 0.00 1.00 0.00 0.00 64.86 64.60 3fm7 h ILE 42 Cb 0.15 2.63 -0.07 0.00 -0.74 0.00 0.00 36.82 38.80 3fm7 h ILE 42 CO -0.03 0.42 -0.00 0.50 0.00 0.00 0.00 178.15 179.04 3fm7 h LYS 43 N -0.67 0.10 -0.23 2.37 3.11 -0.96 -2.20 116.57 118.10 3fm7 h LYS 43 Ca -0.00 -0.01 0.01 0.00 -2.81 0.00 0.00 60.65 57.84 3fm7 h LYS 43 Cb 0.70 -0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 31.89 3fm7 h LYS 43 CO 0.00 0.07 0.13 0.87 -2.81 0.00 0.00 179.45 177.71 3fm7 h LYS 44 N 0.11 0.26 -0.10 1.90 1.79 -1.24 -2.80 116.57 116.48 3fm7 h LYS 44 Ca 0.21 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.65 3fm7 h LYS 44 Cb 0.31 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.89 3fm7 h LYS 44 CO -0.36 0.17 0.00 0.93 -1.08 0.00 0.00 179.45 179.11 3fm7 h GLU 45 N 0.27 0.14 0.15 3.15 4.39 -0.83 -2.61 114.58 119.23 3fm7 h GLU 45 Ca 0.09 -0.01 -0.25 0.00 0.34 0.00 0.00 59.36 59.53 3fm7 h GLU 45 Cb 0.01 -0.03 0.01 0.00 -0.10 0.00 0.00 28.75 28.64 3fm7 h GLU 45 CO -0.05 0.16 -1.20 0.74 -1.16 0.00 0.00 179.01 177.50 3fm7 h PHE 46 N 0.14 0.58 -0.99 4.33 -1.00 -1.23 -2.32 116.94 116.45 3fm7 h PHE 46 Ca 0.04 -0.42 0.22 0.00 2.81 0.00 0.00 57.97 60.62 3fm7 h PHE 46 Cb 0.10 -0.02 -0.09 0.00 3.61 0.00 0.00 35.95 39.54 3fm7 h PHE 46 CO 0.00 1.46 0.63 -0.44 -1.61 0.00 0.00 178.31 178.35 3fm7 h ASP 47 N -0.25 0.56 0.85 2.17 3.32 -1.38 1.26 116.42 122.95 3fm7 h ASP 47 Ca -0.23 0.08 -0.04 0.00 0.02 0.00 0.00 57.03 56.86 3fm7 h ASP 47 Cb 1.79 -0.02 0.01 0.00 0.22 0.00 0.00 39.33 41.33 3fm7 h ASP 47 CO 0.14 0.17 -0.41 0.50 -1.72 0.00 0.00 179.24 177.92 3fm7 h LYS 48 N 0.53 -1.09 0.11 3.56 1.63 -1.36 -3.11 116.57 116.84 3fm7 h LYS 48 Ca 0.56 0.07 -0.01 0.00 -0.85 0.00 0.00 60.65 60.43 3fm7 h LYS 48 Cb 1.21 0.25 0.00 0.00 -0.60 0.00 0.00 32.23 33.09 3fm7 h LYS 48 CO -0.30 -0.72 -0.05 0.87 -3.45 0.00 0.00 179.45 175.79 3fm7 h LYS 49 N -1.27 -0.14 -0.50 1.90 1.57 -0.83 -3.40 116.57 113.90 3fm7 h LYS 49 Ca -0.12 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 3fm7 h LYS 49 Cb 0.88 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.22 3fm7 h LYS 49 CO 0.19 -0.10 0.00 0.66 -0.57 0.00 0.00 179.45 179.64 3fm7 n TYR 50 N -2.77 0.66 0.00 -1.35 4.02 0.43 -5.02 117.16 113.12 3fm7 n TYR 50 Ca -0.02 -0.33 0.00 0.00 -0.01 0.00 0.00 57.90 57.54 3fm7 n TYR 50 Cb 0.06 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.38 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 1.55 -1.20 -4.53 7.72 3.02 -0.94 -4.93 115.26 115.94 3fm7 n ASN 51 Ca 0.21 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.37 3fm7 n ASN 51 Cb 0.61 0.82 0.03 0.00 -0.61 0.00 0.00 39.78 40.63 3fm7 n ASN 51 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 3fm7 n PRO 52 N -0.19 0.79 -3.88 3.52 -0.02 -1.25 -4.53 135.00 129.43 3fm7 n PRO 52 Ca 0.00 0.29 -0.28 0.00 -2.02 0.00 0.00 63.50 61.49 3fm7 n PRO 52 Cb 0.00 -1.83 -0.16 0.00 -0.02 0.00 0.00 33.50 31.48 3fm7 n PRO 52 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3fm7 s THR 53 N -1.53 1.11 0.26 3.45 2.01 -1.26 -4.89 115.64 114.79 3fm7 s THR 53 Ca 0.68 -0.73 0.01 0.00 0.31 0.00 0.00 61.69 61.96 3fm7 s THR 53 Cb -0.49 -1.34 -0.04 0.00 0.01 0.00 0.00 72.50 70.64 3fm7 s THR 53 CO 0.54 0.04 0.44 0.26 -0.69 0.00 0.00 174.62 175.21 3fm7 s TRP 54 N 1.62 3.48 0.01 4.92 0.52 -1.26 -0.93 118.94 127.29 3fm7 s TRP 54 Ca -0.01 0.24 0.00 0.00 0.02 0.00 0.00 56.10 56.35 3fm7 s TRP 54 Cb -0.16 -1.78 -0.01 0.00 -1.15 0.00 0.00 33.47 30.37 3fm7 s TRP 54 CO -0.07 0.31 -0.01 -1.01 0.02 0.00 0.00 176.95 176.18 3fm7 s HIS 55 N -2.06 0.10 -0.02 -1.98 3.76 0.07 -4.94 115.29 110.22 3fm7 s HIS 55 Ca 0.38 -0.18 0.02 0.00 -0.15 0.00 0.00 55.06 55.13 3fm7 s HIS 55 Cb -0.10 -0.07 0.00 0.00 1.11 0.00 0.00 32.58 33.52 3fm7 s HIS 55 CO 0.31 -0.06 -0.08 0.00 -0.85 0.00 0.00 174.74 174.07 3fm7 s ILE 57 N 0.24 1.70 -0.15 0.00 1.09 0.51 -4.92 121.20 119.66 3fm7 s ILE 57 Ca -0.03 -1.16 -0.04 0.00 -1.10 0.00 0.00 60.65 58.32 3fm7 s ILE 57 Cb -0.08 -1.46 0.07 0.00 -1.06 0.00 0.00 42.46 39.92 3fm7 s ILE 57 CO 0.00 0.26 0.16 -0.69 -0.10 0.00 0.00 174.94 174.58 3fm7 s VAL 58 N -0.74 -0.23 0.18 2.92 1.01 -1.26 -0.82 120.40 121.44 3fm7 s VAL 58 Ca 0.08 0.03 -0.23 0.00 0.00 0.00 0.00 61.98 61.86 3fm7 s VAL 58 Cb -0.09 -0.52 0.06 0.00 0.00 0.00 0.00 36.38 35.84 3fm7 s VAL 58 CO 0.01 -0.11 0.63 -0.83 0.00 0.00 0.00 175.10 174.81 3fm7 s GLY 59 N 2.26 -0.52 -0.23 4.51 0.00 -0.98 -4.71 107.32 107.66 3fm7 s GLY 59 Ca 0.04 0.35 -0.02 0.00 0.00 0.00 0.00 44.72 45.10 3fm7 s GLY 59 CO -0.09 0.12 -0.23 0.54 0.00 0.00 0.00 173.10 173.44 3fm7 n ARG 60 N -0.39 0.55 -3.91 2.90 1.74 -1.26 -1.84 116.66 114.45 3fm7 n ARG 60 Ca -0.14 0.15 -0.34 0.00 -0.77 0.00 0.00 57.85 56.75 3fm7 n ARG 60 Cb 0.64 -1.43 -0.14 0.00 -1.02 0.00 0.00 32.46 30.51 3fm7 n ARG 60 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3fm7 s ASN 61 N -6.43 4.90 -0.16 0.55 3.04 -1.26 -4.92 114.94 110.65 3fm7 s ASN 61 Ca -0.31 -1.56 -0.30 0.00 0.04 0.00 0.00 52.86 50.73 3fm7 s ASN 61 Cb 0.09 -1.71 0.13 0.00 -1.54 0.00 0.00 41.25 38.23 3fm7 s ASN 61 CO 0.50 -0.33 1.06 0.72 -3.04 0.00 0.00 177.10 176.01 3fm7 s PHE 62 N 1.17 -0.30 0.33 0.43 -0.12 -1.26 -5.18 117.98 113.05 3fm7 s PHE 62 Ca -0.01 0.45 0.05 0.00 -0.05 0.00 0.00 56.93 57.38 3fm7 s PHE 62 Cb -0.20 0.47 -0.07 0.00 -0.63 0.00 0.00 43.02 42.59 3fm7 s PHE 62 CO -0.03 -0.31 0.01 0.20 -0.05 0.00 0.00 175.22 175.04 3fm7 s GLY 63 N -1.34 2.11 -0.12 1.99 0.00 -1.26 -5.12 107.32 103.58 3fm7 s GLY 63 Ca 0.01 -2.08 -0.08 0.00 0.00 0.00 0.00 44.72 42.58 3fm7 s GLY 63 CO -0.02 -1.90 0.29 -1.35 0.00 0.00 0.00 173.10 170.13 3fm7 s SER 64 N -3.53 -0.33 -0.27 1.64 1.04 -1.26 -5.11 113.70 105.88 3fm7 s SER 64 Ca 0.34 0.62 -0.04 0.00 0.48 0.00 0.00 55.95 57.35 3fm7 s SER 64 Cb 0.07 0.54 0.02 0.00 0.10 0.00 0.00 66.02 66.76 3fm7 s SER 64 CO 0.15 -0.15 0.01 -0.47 0.98 0.00 0.00 173.24 173.77 3fm7 s TYR 65 N 0.89 3.12 0.09 5.02 5.04 -1.26 -5.12 117.35 125.13 3fm7 s TYR 65 Ca -0.06 -1.28 0.03 0.00 -2.44 0.00 0.00 57.07 53.31 3fm7 s TYR 65 Cb -0.07 -2.16 -0.04 0.00 0.35 0.00 0.00 41.96 40.05 3fm7 s TYR 65 CO -0.06 -0.66 -0.08 0.14 -1.34 0.00 0.00 175.55 173.55 3fm7 s VAL 66 N 1.41 0.75 -0.16 3.14 -7.23 -1.26 -5.14 120.40 111.91 3fm7 s VAL 66 Ca 0.01 -1.65 0.00 0.00 -1.81 0.00 0.00 61.98 58.53 3fm7 s VAL 66 Cb -0.17 -1.34 0.02 0.00 0.56 0.00 0.00 36.38 35.45 3fm7 s VAL 66 CO -0.01 -0.66 -0.15 -0.89 -0.31 0.00 0.00 175.10 173.08 3fm7 s THR 67 N -2.73 1.66 0.47 5.32 2.01 -1.26 -5.13 115.64 115.99 3fm7 s THR 67 Ca 0.05 -0.70 0.03 0.00 0.31 0.00 0.00 61.69 61.39 3fm7 s THR 67 Cb -0.01 -1.55 -0.04 0.00 0.01 0.00 0.00 72.50 70.91 3fm7 s THR 67 CO -0.02 0.47 0.02 -1.38 -0.69 0.00 0.00 174.62 173.02 3fm7 s HIS 68 N 1.45 2.11 0.32 4.92 -3.43 -1.26 -4.74 115.29 114.65 3fm7 s HIS 68 Ca 0.05 -0.84 0.09 0.00 -0.80 0.00 0.00 55.06 53.55 3fm7 s HIS 68 Cb -0.13 -1.69 -0.04 0.00 -1.43 0.00 0.00 32.58 29.29 3fm7 s HIS 68 CO -0.11 0.29 0.09 -1.83 -2.00 0.00 0.00 174.74 171.18 3fm7 s GLU 69 N -3.83 2.34 0.49 -0.38 -1.05 -1.01 -5.01 118.70 110.25 3fm7 s GLU 69 Ca 0.17 -1.51 -0.23 0.00 -0.15 0.00 0.00 54.97 53.25 3fm7 s GLU 69 Cb 0.05 -2.16 -0.07 0.00 -0.44 0.00 0.00 34.13 31.51 3fm7 s GLU 69 CO 0.09 0.20 1.33 0.99 0.95 0.00 0.00 175.26 178.82 3fm7 s THR 70 N -2.40 2.33 -1.45 1.83 2.01 -1.26 -2.46 115.64 114.24 3fm7 s THR 70 Ca 0.35 0.26 -0.09 0.00 0.31 0.00 0.00 61.69 62.52 3fm7 s THR 70 Cb -0.04 -3.14 0.05 0.00 0.01 0.00 0.00 72.50 69.38 3fm7 s THR 70 CO 0.22 0.01 0.73 0.54 -0.69 0.00 0.00 174.62 175.42 3fm7 n ARG 71 N -0.58 -4.89 -2.81 4.92 3.00 -1.22 -4.85 116.66 110.22 3fm7 n ARG 71 Ca 0.08 0.68 -0.00 0.00 -0.01 0.00 0.00 57.85 58.60 3fm7 n ARG 71 Cb 0.45 -5.53 0.06 0.00 0.00 0.00 0.00 32.46 27.44 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 -4.43 0.74 -3.84 -1.55 8.25 0.21 -4.29 115.22 110.31 3fm7 n HIS 72 Ca -0.03 -2.09 -0.12 0.00 -0.26 0.00 0.00 57.72 55.22 3fm7 n HIS 72 Cb 0.56 0.04 -0.13 0.00 1.12 0.00 0.00 29.99 31.58 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 -3.19 -0.07 -0.16 4.41 2.19 -0.47 -1.10 117.98 119.59 3fm7 s PHE 73 Ca 0.24 0.18 -0.20 0.00 0.33 0.00 0.00 56.93 57.48 3fm7 s PHE 73 Cb 0.34 0.01 0.05 0.00 -1.31 0.00 0.00 43.02 42.12 3fm7 s PHE 73 CO -0.05 -0.04 0.54 -1.50 1.83 0.00 0.00 175.22 175.99 3fm7 s ILE 74 N 0.11 0.01 -0.26 3.12 2.07 0.19 -0.65 121.20 125.78 3fm7 s ILE 74 Ca -0.01 -0.06 -0.01 0.00 -1.41 0.00 0.00 60.65 59.17 3fm7 s ILE 74 Cb -0.01 -0.78 0.14 0.00 0.13 0.00 0.00 42.46 41.94 3fm7 s ILE 74 CO -0.00 -0.03 0.37 -0.47 -1.91 0.00 0.00 174.94 172.89 3fm7 s TYR 75 N -0.14 -0.80 0.15 3.50 5.04 -0.50 -1.23 117.35 123.37 3fm7 s TYR 75 Ca -0.03 0.47 -0.00 0.00 -2.44 0.00 0.00 57.07 55.07 3fm7 s TYR 75 Cb -0.03 -0.14 -0.04 0.00 0.35 0.00 0.00 41.96 42.10 3fm7 s TYR 75 CO 0.03 -0.83 0.05 -0.59 -1.34 0.00 0.00 175.55 172.86 3fm7 s PHE 76 N 2.50 0.99 0.04 4.97 -0.71 -0.64 -1.54 117.98 123.59 3fm7 s PHE 76 Ca 0.11 -1.19 0.01 0.00 -1.04 0.00 0.00 56.93 54.81 3fm7 s PHE 76 Cb -0.14 -0.55 -0.04 0.00 -1.21 0.00 0.00 43.02 41.08 3fm7 s PHE 76 CO -0.23 -0.45 0.11 0.71 -1.34 0.00 0.00 175.22 174.02 3fm7 s TYR 77 N -3.95 3.31 -0.50 3.49 1.51 -0.15 0.59 117.35 121.65 3fm7 s TYR 77 Ca 0.26 0.18 -0.01 0.00 -1.01 0.00 0.00 57.07 56.48 3fm7 s TYR 77 Cb 0.07 -1.70 0.13 0.00 -0.11 0.00 0.00 41.96 40.35 3fm7 s TYR 77 CO 0.03 0.55 0.28 -1.17 -1.11 0.00 0.00 175.55 174.14 3fm7 s LEU 78 N -2.13 5.05 0.00 -1.29 1.98 0.42 -2.71 118.68 120.01 3fm7 s LEU 78 Ca 0.28 -2.50 0.00 0.00 -2.89 0.00 0.00 54.13 49.01 3fm7 s LEU 78 Cb -0.12 -1.79 0.00 0.00 0.66 0.00 0.00 46.19 44.94 3fm7 s LEU 78 CO 0.20 -0.41 0.00 0.61 -1.89 0.00 0.00 176.35 174.85 3fm7 n GLY 79 N 3.92 0.70 0.09 7.98 0.00 -1.25 -2.27 105.19 114.35 3fm7 n GLY 79 Ca 0.03 0.48 -0.09 0.00 0.00 0.00 0.00 46.02 46.45 3fm7 n GLY 79 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3fm7 n GLN 80 N 0.00 1.00 -2.07 1.61 3.00 -1.26 -4.95 117.38 114.70 3fm7 n GLN 80 Ca 0.00 -0.01 -0.43 0.00 -0.01 0.00 0.00 57.00 56.55 3fm7 n GLN 80 Cb 0.00 -1.47 -0.03 0.00 0.00 0.00 0.00 30.24 28.74 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 -2.45 3.68 -0.09 5.09 1.01 -0.96 -4.78 120.40 121.90 3fm7 s VAL 81 Ca -0.09 0.80 -0.14 0.00 0.00 0.00 0.00 61.98 62.55 3fm7 s VAL 81 Cb 0.05 -3.57 -0.05 0.00 0.00 0.00 0.00 36.38 32.81 3fm7 s VAL 81 CO 0.75 -0.13 0.36 0.00 0.00 0.00 0.00 175.10 176.08 3fm7 s ALA 82 N 4.38 3.64 -0.20 5.51 0.00 -0.77 0.16 121.76 134.48 3fm7 s ALA 82 Ca 0.71 -0.33 -0.05 0.00 0.00 0.00 0.00 51.96 52.29 3fm7 s ALA 82 Cb -0.30 -2.40 -0.02 0.00 0.00 0.00 0.00 23.12 20.40 3fm7 s ALA 82 CO 0.28 0.27 -0.00 0.42 0.00 0.00 0.00 175.76 176.73 3fm7 s ILE 83 N -0.23 3.93 -0.23 0.00 -1.09 0.20 -2.31 121.20 121.47 3fm7 s ILE 83 Ca 0.21 -0.32 -0.08 0.00 -2.23 0.00 0.00 60.65 58.23 3fm7 s ILE 83 Cb -0.15 -2.78 -0.04 0.00 -1.58 0.00 0.00 42.46 37.92 3fm7 s ILE 83 CO 0.09 0.43 0.08 -0.22 -1.23 0.00 0.00 174.94 174.09 3fm7 s LEU 84 N 0.97 3.64 -0.03 2.97 2.96 -0.00 -1.62 118.68 127.57 3fm7 s LEU 84 Ca 0.01 -0.08 -0.01 0.00 -0.22 0.00 0.00 54.13 53.84 3fm7 s LEU 84 Cb -0.14 -1.96 0.03 0.00 0.50 0.00 0.00 46.19 44.62 3fm7 s LEU 84 CO 0.02 0.04 0.05 -0.22 -1.32 0.00 0.00 176.35 174.91 3fm7 s LEU 85 N 1.18 0.90 0.13 -0.68 2.96 -0.37 -0.36 118.68 122.44 3fm7 s LEU 85 Ca 0.05 0.07 -0.15 0.00 -0.22 0.00 0.00 54.13 53.88 3fm7 s LEU 85 Cb -0.14 -0.03 0.03 0.00 0.50 0.00 0.00 46.19 46.54 3fm7 s LEU 85 CO 0.04 -0.15 0.39 0.72 -1.32 0.00 0.00 176.35 176.03 3fm7 s PHE 86 N 1.25 -0.14 -0.02 5.38 -0.71 -0.87 -0.64 117.98 122.24 3fm7 s PHE 86 Ca -0.07 -0.20 -0.01 0.00 -1.04 0.00 0.00 56.93 55.62 3fm7 s PHE 86 Cb -0.13 0.23 -0.04 0.00 -1.21 0.00 0.00 43.02 41.88 3fm7 s PHE 86 CO -0.03 -0.71 0.06 0.21 -1.34 0.00 0.00 175.22 173.40 3fm7 s LYS 87 N -3.82 3.01 -0.35 1.99 2.20 -0.26 -0.75 119.74 121.76 3fm7 s LYS 87 Ca 0.04 -0.48 0.01 0.00 -0.36 0.00 0.00 55.97 55.19 3fm7 s LYS 87 Cb 0.02 -2.83 0.19 0.00 -1.51 0.00 0.00 37.83 33.70 3fm7 s LYS 87 CO -0.10 0.66 0.76 0.45 -0.36 0.00 0.00 175.35 176.75 3fm7 s SER 88 N -1.54 -1.17 0.00 1.43 0.15 -0.11 -2.40 113.70 110.06 3fm7 s SER 88 Ca 0.20 -0.29 0.00 0.00 0.70 0.00 0.00 55.95 56.57 3fm7 s SER 88 Cb -0.12 1.59 0.00 0.00 -1.71 0.00 0.00 66.02 65.78 3fm7 s SER 88 CO 0.11 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 174.99