#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fx7 s MET 6 N 0.00 4.13 -0.49 3.69 -1.94 -1.26 -4.97 119.30 118.46 3fx7 s MET 6 Ca 0.00 2.56 -0.26 0.00 -1.71 0.00 0.00 55.69 56.28 3fx7 s MET 6 Cb 0.00 -3.01 0.03 0.00 2.01 0.00 0.00 34.83 33.86 3fx7 s MET 6 CO 0.00 -0.59 0.99 0.34 -0.01 0.00 0.00 175.02 175.75 3fx7 s ASP 7 N 0.27 6.50 0.33 3.03 -1.08 -1.26 -4.94 116.67 119.51 3fx7 s ASP 7 Ca 0.59 0.11 0.09 0.00 -0.52 0.00 0.00 52.55 52.83 3fx7 s ASP 7 Cb -0.47 -2.47 0.56 0.00 -1.46 0.00 0.00 42.92 39.07 3fx7 s ASP 7 CO 0.53 -1.15 1.75 0.71 0.52 0.00 0.00 175.17 177.53 3fx7 h THR 8 N 6.11 1.30 -0.41 1.71 1.35 -1.99 -1.34 112.91 119.64 3fx7 h THR 8 Ca -0.24 -1.47 -0.15 0.00 -0.55 0.00 0.00 66.41 64.00 3fx7 h THR 8 Cb 1.07 1.72 -0.01 0.00 -1.73 0.00 0.00 68.15 69.20 3fx7 h THR 8 CO 1.07 0.43 -0.34 -0.08 -0.25 0.00 0.00 175.52 176.35 3fx7 h GLU 9 N 0.10 0.96 -0.38 4.72 4.57 -1.98 0.21 114.58 122.77 3fx7 h GLU 9 Ca 0.01 -0.48 0.01 0.00 -1.18 0.00 0.00 59.36 57.72 3fx7 h GLU 9 Cb 0.77 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.34 3fx7 h GLU 9 CO 0.06 1.14 0.23 1.49 -1.18 0.00 0.00 179.01 180.75 3fx7 h GLU 10 N 0.80 0.46 -0.36 1.92 4.81 -1.83 -0.70 114.58 119.68 3fx7 h GLU 10 Ca 0.08 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.17 3fx7 h GLU 10 Cb 0.93 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.20 3fx7 h GLU 10 CO 0.09 0.30 -0.22 0.28 -0.73 0.00 0.00 179.01 178.74 3fx7 h VAL 11 N 0.47 1.29 -0.87 0.32 2.07 -1.20 -2.16 116.25 116.17 3fx7 h VAL 11 Ca 0.15 -1.36 0.04 0.00 0.82 0.00 0.00 66.70 66.35 3fx7 h VAL 11 Cb -0.01 1.38 -0.05 0.00 -1.52 0.00 0.00 31.29 31.09 3fx7 h VAL 11 CO -0.06 0.45 0.56 -0.09 0.02 0.00 0.00 177.57 178.45 3fx7 h ARG 12 N 0.57 1.05 -0.25 1.57 2.43 -0.38 0.68 114.38 120.05 3fx7 h ARG 12 Ca 0.07 -0.06 -0.10 0.00 -0.81 0.00 0.00 59.98 59.09 3fx7 h ARG 12 Cb 0.77 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 3fx7 h ARG 12 CO 0.06 0.70 -0.25 0.93 -1.51 0.00 0.00 179.97 179.89 3fx7 h GLU 13 N 1.08 0.48 -0.27 0.20 5.08 -0.99 -0.67 114.58 119.49 3fx7 h GLU 13 Ca 0.35 -0.18 -0.04 0.00 -1.00 0.00 0.00 59.36 58.49 3fx7 h GLU 13 Cb 0.02 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 3fx7 h GLU 13 CO -0.12 0.69 0.03 0.35 -1.00 0.00 0.00 179.01 178.96 3fx7 h PHE 14 N 0.42 0.49 -0.79 4.33 3.57 -0.70 -2.18 116.94 122.09 3fx7 h PHE 14 Ca 0.06 -0.07 0.13 0.00 3.53 0.00 0.00 57.97 61.62 3fx7 h PHE 14 Cb 0.67 -0.13 -0.09 0.00 2.79 0.00 0.00 35.95 39.19 3fx7 h PHE 14 CO 0.02 0.58 0.37 0.28 -2.23 0.00 0.00 178.31 177.33 3fx7 h VAL 15 N 0.26 0.73 -0.43 1.41 2.07 -0.46 0.31 116.25 120.14 3fx7 h VAL 15 Ca 0.08 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 3fx7 h VAL 15 Cb 0.36 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 3fx7 h VAL 15 CO 0.01 0.10 0.21 1.23 0.02 0.00 0.00 177.57 179.14 3fx7 h GLY 16 N 0.56 0.66 0.94 2.17 0.00 -0.97 0.86 103.07 107.29 3fx7 h GLY 16 Ca 0.42 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.41 3fx7 h GLY 16 CO -0.35 0.31 0.16 0.84 0.00 0.00 0.00 176.54 177.49 3fx7 h HIS 17 N 0.56 0.48 -0.79 5.60 6.17 -0.73 -1.12 115.15 125.32 3fx7 h HIS 17 Ca 0.15 -0.02 0.03 0.00 0.71 0.00 0.00 60.37 61.23 3fx7 h HIS 17 Cb 0.11 -0.15 -0.05 0.00 2.52 0.00 0.00 27.41 29.84 3fx7 h HIS 17 CO -0.01 0.42 0.51 1.25 0.71 0.00 0.00 177.93 180.80 3fx7 h LEU 18 N 0.40 0.84 -0.35 0.26 5.85 -0.52 0.43 115.31 122.22 3fx7 h LEU 18 Ca 0.11 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 3fx7 h LEU 18 Cb 0.12 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 3fx7 h LEU 18 CO -0.01 0.58 0.19 -0.33 -0.34 0.00 0.00 178.44 178.53 3fx7 h GLU 19 N 0.99 0.49 -0.38 1.25 5.08 -0.55 -0.17 114.58 121.30 3fx7 h GLU 19 Ca 0.31 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.59 3fx7 h GLU 19 Cb 0.00 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 3fx7 h GLU 19 CO -0.11 0.41 0.12 -0.09 -1.00 0.00 0.00 179.01 178.34 3fx7 h ARG 20 N 0.45 0.59 -0.52 2.33 2.43 -0.80 -1.88 114.38 116.98 3fx7 h ARG 20 Ca 0.12 -0.13 0.02 0.00 -0.81 0.00 0.00 59.98 59.19 3fx7 h ARG 20 Cb 0.06 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.49 3fx7 h ARG 20 CO -0.02 0.60 0.32 0.35 -1.51 0.00 0.00 179.97 179.71 3fx7 h PHE 21 N 0.47 0.60 -0.40 2.20 3.57 -0.71 -0.22 116.94 122.44 3fx7 h PHE 21 Ca 0.12 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.66 3fx7 h PHE 21 Cb 0.26 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.78 3fx7 h PHE 21 CO 0.01 0.35 0.23 -0.22 -2.23 0.00 0.00 178.31 176.45 3fx7 h LYS 22 N 0.64 0.45 -0.31 1.11 3.64 -0.82 0.55 116.57 121.82 3fx7 h LYS 22 Ca 0.21 -0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 59.42 3fx7 h LYS 22 Cb -0.00 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 3fx7 h LYS 22 CO -0.08 0.30 -0.37 0.93 -2.27 0.00 0.00 179.45 177.95 3fx7 h GLU 23 N 0.46 0.73 -0.34 1.90 4.39 -1.09 -2.03 114.58 118.60 3fx7 h GLU 23 Ca 0.16 -0.37 -0.01 0.00 0.34 0.00 0.00 59.36 59.49 3fx7 h GLU 23 Cb 0.02 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 3fx7 h GLU 23 CO -0.08 0.98 0.18 1.25 -1.16 0.00 0.00 179.01 180.18 3fx7 h LEU 24 N 0.60 0.44 -0.37 1.33 6.46 -0.74 -1.35 115.31 121.68 3fx7 h LEU 24 Ca 0.06 -0.10 0.04 0.00 -0.12 0.00 0.00 57.88 57.75 3fx7 h LEU 24 Cb 0.91 -0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 40.69 3fx7 h LEU 24 CO 0.08 0.42 0.14 0.25 -0.62 0.00 0.00 178.44 178.71 3fx7 h LEU 25 N 0.43 0.16 -0.06 2.25 5.85 -0.68 0.41 115.31 123.66 3fx7 h LEU 25 Ca 0.12 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 3fx7 h LEU 25 Cb 0.08 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.13 3fx7 h LEU 25 CO -0.02 0.13 0.03 -0.09 -0.34 0.00 0.00 178.44 178.15 3fx7 h ARG 26 N 0.30 0.08 -0.67 1.25 2.43 -1.23 -0.60 114.38 115.95 3fx7 h ARG 26 Ca 0.17 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.33 3fx7 h ARG 26 Cb 0.14 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.64 3fx7 h ARG 26 CO -0.17 0.18 0.44 0.93 -1.51 0.00 0.00 179.97 179.85 3fx7 h GLU 27 N -0.03 0.88 -0.30 0.20 5.08 -1.00 -1.14 114.58 118.26 3fx7 h GLU 27 Ca 0.02 -0.05 -0.16 0.00 -1.00 0.00 0.00 59.36 58.17 3fx7 h GLU 27 Cb 0.13 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 3fx7 h GLU 27 CO -0.00 0.58 -0.42 0.93 -1.00 0.00 0.00 179.01 179.10 3fx7 h GLU 28 N 0.91 0.81 -0.40 2.33 4.39 -0.77 -0.94 114.58 120.92 3fx7 h GLU 28 Ca 0.25 -0.47 -0.12 0.00 0.34 0.00 0.00 59.36 59.35 3fx7 h GLU 28 Cb -0.11 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 3fx7 h GLU 28 CO -0.05 1.11 -0.24 -0.24 -1.16 0.00 0.00 179.01 178.42 3fx7 h VAL 29 N 0.58 1.27 -0.60 3.13 3.04 -1.01 -1.38 116.25 121.29 3fx7 h VAL 29 Ca 0.03 -1.37 -0.03 0.00 -1.01 0.00 0.00 66.70 64.32 3fx7 h VAL 29 Cb 1.01 1.22 -0.03 0.00 -2.01 0.00 0.00 31.29 31.49 3fx7 h VAL 29 CO 0.10 0.46 0.26 0.78 -1.01 0.00 0.00 177.57 178.15 3fx7 h ASN 30 N 0.70 0.81 -0.32 3.17 2.35 -1.09 -0.75 115.58 120.45 3fx7 h ASN 30 Ca 0.09 -0.16 0.01 0.00 -0.55 0.00 0.00 56.30 55.69 3fx7 h ASN 30 Cb 0.77 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.91 3fx7 h ASN 30 CO 0.06 0.74 0.20 -1.28 -1.65 0.00 0.00 177.43 175.51 3fx7 h SER 31 N 0.83 0.34 -0.23 5.81 0.87 -0.97 0.96 113.55 121.15 3fx7 h SER 31 Ca 0.20 -0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.75 3fx7 h SER 31 Cb 0.17 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 3fx7 h SER 31 CO -0.02 0.25 0.11 0.25 -0.53 0.00 0.00 176.83 176.89 3fx7 h LEU 32 N 0.41 0.30 -0.44 2.23 5.85 -1.07 -0.98 115.31 121.61 3fx7 h LEU 32 Ca 0.12 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 3fx7 h LEU 32 Cb -0.03 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 3fx7 h LEU 32 CO -0.04 0.34 0.24 -1.28 -0.34 0.00 0.00 178.44 177.36 3fx7 h SER 33 N 0.25 0.56 -0.70 1.25 0.87 -0.92 -0.88 113.55 113.98 3fx7 h SER 33 Ca 0.08 -0.09 -0.05 0.00 -1.23 0.00 0.00 61.79 60.49 3fx7 h SER 33 Cb 0.12 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 61.90 3fx7 h SER 33 CO -0.01 0.49 0.23 0.78 -0.53 0.00 0.00 176.83 177.80 3fx7 h ASN 34 N 0.58 1.01 0.06 6.23 -0.26 -0.67 -0.39 115.58 122.14 3fx7 h ASN 34 Ca 0.16 -0.18 -0.00 0.00 -0.56 0.00 0.00 56.30 55.71 3fx7 h ASN 34 Cb 0.06 -0.26 0.00 0.00 -1.06 0.00 0.00 38.32 37.06 3fx7 h ASN 34 CO -0.02 0.94 -0.03 -0.74 -1.06 0.00 0.00 177.43 176.51 3fx7 h HIS 35 N 1.05 -0.07 -0.66 1.19 2.76 -0.96 -1.45 115.15 117.01 3fx7 h HIS 35 Ca 0.23 -0.00 0.10 0.00 -2.20 0.00 0.00 60.37 58.51 3fx7 h HIS 35 Cb 0.28 0.02 -0.08 0.00 1.55 0.00 0.00 27.41 29.18 3fx7 h HIS 35 CO 0.02 0.07 0.26 0.35 -1.30 0.00 0.00 177.93 177.33 3fx7 h PHE 36 N -0.20 0.46 0.00 5.26 3.57 -0.84 -0.50 116.94 124.68 3fx7 h PHE 36 Ca -0.01 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3fx7 h PHE 36 Cb 0.17 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 38.81 3fx7 h PHE 36 CO -0.03 0.11 0.00 0.72 -2.23 0.00 0.00 178.31 176.88 3fx7 n HIS 37 N -4.98 0.24 1.13 0.41 8.25 -0.18 -2.14 115.22 117.95 3fx7 n HIS 37 Ca 0.10 0.08 0.13 0.00 -0.26 0.00 0.00 57.72 57.77 3fx7 n HIS 37 Cb 0.31 -0.63 0.34 0.00 1.12 0.00 0.00 29.99 31.13 3fx7 n HIS 37 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3fx7 n ASN 38 N -1.70 0.70 -4.66 0.41 5.15 -0.24 -4.86 115.26 110.05 3fx7 n ASN 38 Ca 0.05 -0.51 -0.43 0.00 -0.60 0.00 0.00 54.58 53.09 3fx7 n ASN 38 Cb 0.29 0.16 -0.02 0.00 -0.53 0.00 0.00 39.78 39.67 3fx7 n ASN 38 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3fx7 s LEU 39 N -2.76 4.25 -0.07 1.20 1.02 -0.91 -4.90 118.68 116.51 3fx7 s LEU 39 Ca 0.18 1.95 0.16 0.00 0.02 0.00 0.00 54.13 56.43 3fx7 s LEU 39 Cb 0.18 -3.54 -0.22 0.00 0.02 0.00 0.00 46.19 42.63 3fx7 s LEU 39 CO 0.61 -0.81 0.50 -0.62 0.02 0.00 0.00 176.35 176.04 3fx7 n GLU 40 N 6.60 0.65 0.00 1.70 1.02 -1.26 -4.59 120.64 124.76 3fx7 n GLU 40 Ca 0.15 0.15 0.11 0.00 -0.02 0.00 0.00 57.16 57.55 3fx7 n GLU 40 Cb 0.44 -1.69 -0.04 0.00 -0.02 0.00 0.00 31.44 30.12 3fx7 n GLU 40 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3fx7 n SER 41 N -2.87 1.71 -4.40 1.62 3.41 -1.26 -4.73 113.62 107.10 3fx7 n SER 41 Ca -0.20 -1.36 -0.44 0.00 -0.26 0.00 0.00 58.87 56.61 3fx7 n SER 41 Cb 1.01 0.64 -0.07 0.00 -0.26 0.00 0.00 64.21 65.54 3fx7 n SER 41 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 3fx7 s TRP 42 N -2.64 3.16 -0.31 7.33 -0.00 -1.26 -4.99 118.94 120.23 3fx7 s TRP 42 Ca 0.15 -0.84 -0.02 0.00 -0.00 0.00 0.00 56.10 55.39 3fx7 s TRP 42 Cb 0.17 -3.44 0.11 0.00 -0.00 0.00 0.00 33.47 30.32 3fx7 s TRP 42 CO 0.66 -0.95 0.16 1.03 -0.00 0.00 0.00 176.95 177.86 3fx7 s ARG 43 N 2.07 0.34 0.28 5.86 1.81 -1.26 -4.92 118.95 123.12 3fx7 s ARG 43 Ca 0.08 -0.85 -0.13 0.00 -1.72 0.00 0.00 55.73 53.12 3fx7 s ARG 43 Cb -0.23 -1.24 0.05 0.00 -0.45 0.00 0.00 34.95 33.07 3fx7 s ARG 43 CO 0.08 -1.09 0.67 -0.40 -0.68 0.00 0.00 175.30 173.88 3fx7 n ASP 44 N 4.78 -1.72 0.21 0.23 5.68 -1.26 -5.02 116.55 119.46 3fx7 n ASP 44 Ca 0.01 -2.14 0.07 0.00 -0.50 0.00 0.00 54.79 52.23 3fx7 n ASP 44 Cb 0.40 2.85 0.48 0.00 -1.14 0.00 0.00 41.12 43.71 3fx7 n ASP 44 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3fx7 h ALA 45 N 2.00 1.24 -0.38 2.12 0.00 -1.99 -1.72 119.26 120.52 3fx7 h ALA 45 Ca -0.25 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.30 3fx7 h ALA 45 Cb 0.97 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 3fx7 h ALA 45 CO 0.32 0.35 -0.15 0.00 0.00 0.00 0.00 179.25 179.78 3fx7 h ARG 46 N 0.00 0.77 -0.73 0.00 3.08 -1.99 -1.67 114.38 113.84 3fx7 h ARG 46 Ca -0.00 -0.32 -0.02 0.00 0.07 0.00 0.00 59.98 59.70 3fx7 h ARG 46 Cb 0.62 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.60 3fx7 h ARG 46 CO 0.04 0.94 0.36 -0.09 -1.07 0.00 0.00 179.97 180.14 3fx7 h ARG 47 N 0.57 1.04 -0.36 0.04 1.12 -1.80 -0.92 114.38 114.08 3fx7 h ARG 47 Ca 0.09 -0.15 0.03 0.00 -1.11 0.00 0.00 59.98 58.84 3fx7 h ARG 47 Cb 0.69 -0.19 -0.03 0.00 -0.01 0.00 0.00 29.97 30.42 3fx7 h ARG 47 CO 0.05 0.81 0.16 -0.44 -3.11 0.00 0.00 179.97 177.44 3fx7 h ASP 48 N 1.02 0.21 -0.32 -3.80 3.45 -1.22 0.54 116.42 116.30 3fx7 h ASP 48 Ca 0.25 0.03 0.00 0.00 0.43 0.00 0.00 57.03 57.74 3fx7 h ASP 48 Cb 0.11 -0.01 -0.02 0.00 -0.56 0.00 0.00 39.33 38.85 3fx7 h ASP 48 CO -0.03 0.16 0.20 0.50 -1.57 0.00 0.00 179.24 178.50 3fx7 h LYS 49 N 0.33 0.43 -0.08 3.56 3.64 -1.08 -2.76 116.57 120.60 3fx7 h LYS 49 Ca 0.15 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.44 3fx7 h LYS 49 Cb 0.09 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 3fx7 h LYS 49 CO -0.13 0.30 -0.22 0.35 -2.27 0.00 0.00 179.45 177.48 3fx7 h PHE 50 N 0.42 0.15 -0.78 1.91 3.57 -0.83 -1.81 116.94 119.58 3fx7 h PHE 50 Ca 0.12 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.61 3fx7 h PHE 50 Cb -0.03 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 38.63 3fx7 h PHE 50 CO -0.05 0.36 0.51 1.03 -2.23 0.00 0.00 178.31 177.93 3fx7 h SER 51 N 0.13 0.87 -0.44 0.41 0.87 -0.61 0.95 113.55 115.73 3fx7 h SER 51 Ca 0.02 -0.02 -0.09 0.00 -1.23 0.00 0.00 61.79 60.47 3fx7 h SER 51 Cb 0.48 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.21 3fx7 h SER 51 CO 0.03 0.63 -0.09 -0.33 -0.53 0.00 0.00 176.83 176.54 3fx7 h GLU 52 N 1.03 0.83 -0.61 2.24 5.08 -1.28 -0.88 114.58 120.99 3fx7 h GLU 52 Ca 0.29 -0.31 0.04 0.00 -1.00 0.00 0.00 59.36 58.38 3fx7 h GLU 52 Cb -0.09 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.06 3fx7 h GLU 52 CO -0.07 0.94 0.36 0.28 -1.00 0.00 0.00 179.01 179.51 3fx7 h VAL 53 N 0.66 1.02 -0.46 3.13 2.07 -0.80 -0.20 116.25 121.68 3fx7 h VAL 53 Ca 0.11 -0.24 -0.10 0.00 0.82 0.00 0.00 66.70 67.30 3fx7 h VAL 53 Cb 0.62 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 3fx7 h VAL 53 CO 0.04 0.13 -0.09 -0.07 0.02 0.00 0.00 177.57 177.59 3fx7 h LEU 54 N 0.69 0.87 -0.73 2.57 4.07 -0.65 0.03 115.31 122.16 3fx7 h LEU 54 Ca 0.26 -0.35 0.01 0.00 0.08 0.00 0.00 57.88 57.88 3fx7 h LEU 54 Cb 0.09 -0.24 -0.04 0.00 1.08 0.00 0.00 40.66 41.56 3fx7 h LEU 54 CO -0.14 1.02 0.47 0.44 -1.08 0.00 0.00 178.44 179.16 3fx7 h ASP 55 N 0.71 0.81 0.22 -0.43 3.32 -0.80 -0.80 116.42 119.44 3fx7 h ASP 55 Ca 0.12 -0.02 -0.14 0.00 0.02 0.00 0.00 57.03 57.01 3fx7 h ASP 55 Cb 0.63 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 3fx7 h ASP 55 CO 0.04 0.58 -0.55 0.78 -1.72 0.00 0.00 179.24 178.37 3fx7 h ASN 56 N 0.96 0.39 -0.21 6.45 2.35 -0.80 -1.22 115.58 123.49 3fx7 h ASN 56 Ca 0.27 -0.21 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 3fx7 h ASN 56 Cb -0.07 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.17 3fx7 h ASN 56 CO -0.07 0.86 0.14 0.25 -1.65 0.00 0.00 177.43 176.95 3fx7 h LEU 57 N 0.27 0.25 -0.64 1.61 5.85 -0.57 -0.14 115.31 121.93 3fx7 h LEU 57 Ca 0.00 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.73 3fx7 h LEU 57 Cb 1.05 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.97 3fx7 h LEU 57 CO 0.09 0.19 0.40 0.50 -0.34 0.00 0.00 178.44 179.28 3fx7 h LYS 58 N 0.28 0.76 -0.36 1.25 1.63 -0.93 0.51 116.57 119.72 3fx7 h LYS 58 Ca 0.08 -0.05 0.03 0.00 -0.85 0.00 0.00 60.65 59.86 3fx7 h LYS 58 Cb -0.02 -0.17 -0.03 0.00 -0.60 0.00 0.00 32.23 31.41 3fx7 h LYS 58 CO -0.02 0.51 0.17 1.03 -3.45 0.00 0.00 179.45 177.69 3fx7 h SER 59 N 0.79 0.25 -0.47 4.20 0.87 -0.81 1.00 113.55 119.37 3fx7 h SER 59 Ca 0.26 0.02 -0.09 0.00 -1.23 0.00 0.00 61.79 60.75 3fx7 h SER 59 Cb 0.01 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 61.93 3fx7 h SER 59 CO -0.10 0.18 -0.07 0.74 -0.53 0.00 0.00 176.83 177.06 3fx7 h THR 60 N 0.36 1.27 -0.38 2.23 2.02 -0.68 -2.13 112.91 115.59 3fx7 h THR 60 Ca 0.15 -1.17 -0.02 0.00 0.77 0.00 0.00 66.41 66.15 3fx7 h THR 60 Cb 0.07 1.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.53 3fx7 h THR 60 CO -0.12 0.40 0.16 -0.26 0.37 0.00 0.00 175.52 176.08 3fx7 h PHE 61 N 0.73 0.53 -0.51 3.16 -1.00 -0.58 -0.88 116.94 118.39 3fx7 h PHE 61 Ca 0.13 -0.02 -0.09 0.00 2.81 0.00 0.00 57.97 60.81 3fx7 h PHE 61 Cb 0.60 -0.17 -0.02 0.00 3.61 0.00 0.00 35.95 39.97 3fx7 h PHE 61 CO 0.05 0.42 -0.02 -0.91 -1.61 0.00 0.00 178.31 176.23 3fx7 h ASN 62 N 0.54 0.86 -0.20 2.17 2.35 -0.41 0.23 115.58 121.12 3fx7 h ASN 62 Ca 0.13 -0.23 -0.00 0.00 -0.55 0.00 0.00 56.30 55.65 3fx7 h ASN 62 Cb 0.11 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 3fx7 h ASN 62 CO -0.01 0.94 0.11 -0.33 -1.65 0.00 0.00 177.43 176.48 3fx7 h GLU 63 N 0.82 0.28 -0.48 0.81 5.08 -0.72 -1.67 114.58 118.69 3fx7 h GLU 63 Ca 0.15 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3fx7 h GLU 63 Cb 0.52 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 3fx7 h GLU 63 CO 0.03 0.26 0.30 0.35 -1.00 0.00 0.00 179.01 178.95 3fx7 h PHE 64 N 0.22 0.61 -0.53 4.33 3.57 -0.86 -1.62 116.94 122.67 3fx7 h PHE 64 Ca 0.07 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.65 3fx7 h PHE 64 Cb 0.06 -0.21 -0.06 0.00 2.79 0.00 0.00 35.95 38.53 3fx7 h PHE 64 CO -0.04 0.41 0.18 0.22 -2.23 0.00 0.00 178.31 176.85 3fx7 h ASP 65 N 0.64 0.16 -0.40 0.41 3.58 -0.28 0.26 116.42 120.79 3fx7 h ASP 65 Ca 0.17 0.07 -0.07 0.00 0.42 0.00 0.00 57.03 57.62 3fx7 h ASP 65 Cb -0.04 0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.05 3fx7 h ASP 65 CO -0.04 0.12 -0.02 -0.08 -2.88 0.00 0.00 179.24 176.34 3fx7 h GLU 66 N 0.35 0.73 -0.61 0.28 4.81 -1.09 0.14 114.58 119.18 3fx7 h GLU 66 Ca 0.26 -0.24 0.02 0.00 -0.13 0.00 0.00 59.36 59.27 3fx7 h GLU 66 Cb 0.30 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.58 3fx7 h GLU 66 CO -0.27 0.82 0.39 0.00 -0.73 0.00 0.00 179.01 179.22 3fx7 h ALA 67 N 0.88 0.79 -0.37 2.92 0.00 -0.71 -0.74 119.26 122.03 3fx7 h ALA 67 Ca 0.11 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 3fx7 h ALA 67 Cb 0.50 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3fx7 h ALA 67 CO 0.02 0.16 -0.08 0.00 0.00 0.00 0.00 179.25 179.35 3fx7 h ALA 68 N 1.25 0.51 -0.78 0.00 0.00 -0.30 -1.41 119.26 118.53 3fx7 h ALA 68 Ca 0.24 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.85 3fx7 h ALA 68 Cb -0.03 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 3fx7 h ALA 68 CO -0.08 0.36 0.51 0.37 0.00 0.00 0.00 179.25 180.42 3fx7 h GLN 69 N 0.51 1.03 -0.12 0.00 5.75 -0.48 0.19 115.11 122.00 3fx7 h GLN 69 Ca 0.10 -0.07 -0.15 0.00 -0.15 0.00 0.00 58.65 58.38 3fx7 h GLN 69 Cb 0.59 -0.23 -0.01 0.00 1.07 0.00 0.00 27.48 28.90 3fx7 h GLN 69 CO 0.04 0.69 -0.58 0.93 -2.65 0.00 0.00 178.83 177.26 3fx7 h GLU 70 N 1.06 0.37 -0.51 1.69 4.39 -0.98 -1.81 114.58 118.80 3fx7 h GLU 70 Ca 0.29 -0.24 -0.08 0.00 0.34 0.00 0.00 59.36 59.66 3fx7 h GLU 70 Cb -0.12 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.55 3fx7 h GLU 70 CO -0.06 0.84 0.02 0.37 -1.16 0.00 0.00 179.01 179.02 3fx7 h GLN 71 N 0.28 0.88 -0.15 2.33 5.75 -0.91 -1.42 115.11 121.88 3fx7 h GLN 71 Ca -0.00 -0.27 0.02 0.00 -0.15 0.00 0.00 58.65 58.24 3fx7 h GLN 71 Cb 1.09 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 29.54 3fx7 h GLN 71 CO 0.10 0.91 0.05 0.82 -2.65 0.00 0.00 178.83 178.05 3fx7 h ILE 72 N 0.75 0.96 -0.69 2.39 2.04 -0.82 -0.52 117.51 121.61 3fx7 h ILE 72 Ca 0.15 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.96 3fx7 h ILE 72 Cb 0.50 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 3fx7 h ILE 72 CO 0.02 0.02 0.40 0.00 0.00 0.00 0.00 178.15 178.59 3fx7 h ALA 73 N 1.10 0.88 -0.29 1.87 0.00 -1.19 -0.77 119.26 120.86 3fx7 h ALA 73 Ca 0.07 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3fx7 h ALA 73 Cb 0.04 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3fx7 h ALA 73 CO -0.07 0.38 -0.02 2.35 0.00 0.00 0.00 179.25 181.88 3fx7 h TRP 74 N 0.94 0.57 -0.51 0.00 7.01 -1.01 -1.56 115.95 121.39 3fx7 h TRP 74 Ca 0.25 -0.11 -0.04 0.00 2.11 0.00 0.00 58.89 61.10 3fx7 h TRP 74 Cb 0.01 -0.15 -0.02 0.00 -2.10 0.00 0.00 29.16 26.90 3fx7 h TRP 74 CO -0.01 0.68 0.17 -0.07 -2.79 0.00 0.00 178.44 176.42 3fx7 h LEU 75 N 0.30 0.73 -0.43 0.65 3.38 -0.89 0.91 115.31 119.96 3fx7 h LEU 75 Ca 0.08 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3fx7 h LEU 75 Cb 0.47 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3fx7 h LEU 75 CO 0.02 0.73 0.28 0.11 0.09 0.00 0.00 178.44 179.67 3fx7 h LYS 76 N 0.68 0.56 -0.54 1.13 1.57 -1.04 -0.50 116.57 118.43 3fx7 h LYS 76 Ca 0.16 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.81 3fx7 h LYS 76 Cb 0.25 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 3fx7 h LYS 76 CO -0.01 0.38 -0.07 1.49 -0.57 0.00 0.00 179.45 180.67 3fx7 h GLU 77 N 0.58 0.97 -0.73 3.15 4.57 -1.03 -1.99 114.58 120.10 3fx7 h GLU 77 Ca 0.16 -0.33 -0.01 0.00 -1.18 0.00 0.00 59.36 58.00 3fx7 h GLU 77 Cb -0.06 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.41 3fx7 h GLU 77 CO -0.03 1.00 0.41 -0.09 -1.18 0.00 0.00 179.01 179.11 3fx7 h ARG 78 N 0.88 1.00 -0.40 1.92 9.65 -0.51 -0.97 114.38 125.95 3fx7 h ARG 78 Ca 0.15 -0.11 0.04 0.00 -1.10 0.00 0.00 59.98 58.96 3fx7 h ARG 78 Cb 0.61 -0.20 -0.04 0.00 -1.39 0.00 0.00 29.97 28.95 3fx7 h ARG 78 CO 0.04 0.74 0.17 0.82 2.80 0.00 0.00 179.97 184.54 3fx7 h ILE 79 N 1.00 0.93 -0.39 1.20 2.04 -0.84 0.32 117.51 121.77 3fx7 h ILE 79 Ca 0.26 -0.12 0.04 0.00 1.00 0.00 0.00 64.86 66.03 3fx7 h ILE 79 Cb 0.02 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 36.60 3fx7 h ILE 79 CO -0.04 0.06 0.17 0.03 0.00 0.00 0.00 178.15 178.37 3fx7 h ARG 80 N 0.35 0.34 -0.45 2.37 3.08 -0.89 0.41 114.38 119.59 3fx7 h ARG 80 Ca 0.18 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.17 3fx7 h ARG 80 Cb 0.12 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 3fx7 h ARG 80 CO -0.15 0.23 0.15 0.28 -1.07 0.00 0.00 179.97 179.40 3fx7 h VAL 81 N 0.35 1.22 -0.67 2.04 2.07 -0.88 -0.82 116.25 119.56 3fx7 h VAL 81 Ca 0.17 -0.72 -0.08 0.00 0.82 0.00 0.00 66.70 66.89 3fx7 h VAL 81 Cb 0.11 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 3fx7 h VAL 81 CO -0.15 0.26 0.12 -0.07 0.02 0.00 0.00 177.57 177.75 3fx7 h LEU 82 N 0.59 1.05 -0.62 2.57 3.38 -0.64 -0.17 115.31 121.47 3fx7 h LEU 82 Ca 0.15 -0.24 -0.08 0.00 0.09 0.00 0.00 57.88 57.80 3fx7 h LEU 82 Cb 0.25 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3fx7 h LEU 82 CO -0.01 1.03 0.09 -0.33 0.09 0.00 0.00 178.44 179.32 3fx7 h GLU 83 N 1.03 1.03 -0.24 1.13 5.08 -0.71 -1.09 114.58 120.81 3fx7 h GLU 83 Ca 0.20 -0.28 -0.10 0.00 -1.00 0.00 0.00 59.36 58.18 3fx7 h GLU 83 Cb 0.43 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 3fx7 h GLU 83 CO 0.01 0.97 -0.27 1.05 -1.00 0.00 0.00 179.01 179.76 3fx7 h GLU 84 N 0.94 0.48 -0.57 2.33 4.11 -0.92 -1.65 114.58 119.30 3fx7 h GLU 84 Ca 0.19 -0.19 -0.07 0.00 0.07 0.00 0.00 59.36 59.36 3fx7 h GLU 84 Cb 0.44 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 3fx7 h GLU 84 CO 0.01 0.71 0.07 -0.44 0.07 0.00 0.00 179.01 179.43 3fx7 h ASP 85 N 0.42 0.92 -0.43 3.06 3.32 -0.82 -0.53 116.42 122.37 3fx7 h ASP 85 Ca 0.06 -0.27 -0.01 0.00 0.02 0.00 0.00 57.03 56.83 3fx7 h ASP 85 Cb 0.70 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 3fx7 h ASP 85 CO 0.05 0.96 0.24 0.22 -1.72 0.00 0.00 179.24 178.99 3fx7 h TYR 86 N 0.85 0.58 -0.67 4.55 5.03 -0.93 0.11 116.97 126.49 3fx7 h TYR 86 Ca 0.17 -0.01 -0.04 0.00 2.58 0.00 0.00 58.73 61.43 3fx7 h TYR 86 Cb 0.45 -0.19 -0.03 0.00 1.55 0.00 0.00 36.73 38.51 3fx7 h TYR 86 CO 0.03 0.44 0.26 -0.07 -1.32 0.00 0.00 178.16 177.50 3fx7 h LEU 87 N 0.56 0.94 -1.00 2.82 3.38 -1.18 -2.93 115.31 117.88 3fx7 h LEU 87 Ca 0.15 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 3fx7 h LEU 87 Cb 0.04 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 3fx7 h LEU 87 CO -0.02 0.86 0.04 -0.08 0.09 0.00 0.00 178.44 179.32 3fx7 h GLU 88 N 0.96 0.76 0.00 1.13 4.81 -0.77 -2.21 114.58 119.25 3fx7 h GLU 88 Ca 0.22 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3fx7 h GLU 88 Cb 0.23 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.51 3fx7 h GLU 88 CO -0.02 0.74 0.00 1.25 -0.73 0.00 0.00 179.01 180.25 3fx7 h HIS 89 N 0.72 0.00 -0.21 0.92 2.76 -0.79 -1.16 115.15 117.38 3fx7 h HIS 89 Ca 0.15 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.32 3fx7 h HIS 89 Cb 0.38 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.34 3fx7 h HIS 89 CO 0.02 0.00 0.00 0.72 -1.30 0.00 0.00 177.93 177.37 3fx7 n HIS 90 N -2.56 0.27 1.86 5.26 8.25 -0.85 -5.11 115.22 122.33 3fx7 n HIS 90 Ca -0.01 -0.21 0.15 0.00 -0.26 0.00 0.00 57.72 57.40 3fx7 n HIS 90 Cb 0.11 -0.01 0.83 0.00 1.12 0.00 0.00 29.99 32.04 3fx7 n HIS 90 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56